----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:20:18]------------------------- 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 1.802727892997655 1.040805434297841 6.240426399999994 b -1.802727892997651 1.040805434297841 6.240426399999994 c 0.000000000000002 -2.081610868595685 6.240426399999994 Atomic positions (fractional): *1 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 *2 Nd 0.50000000000000 0.50000000000000 0.50000000000000 144.242 *3 O 0.76972071985669 0.76972071985669 0.76972071985669 15.999 4 O 0.23027928014331 0.23027928014331 0.23027928014331 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.605455785995306 0.000000000000000 0.000000000000000 b -1.802727892997653 3.122416302893526 0.000000000000000 c 0.000000000000000 0.000000000000000 18.721279200000001 Atomic positions (fractional): *1 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 > 1 2 K 0.66666666666667 0.33333333333333 0.33333333333333 39.098 > 1 3 K 0.33333333333333 0.66666666666667 0.66666666666667 39.098 > 1 *4 Nd 0.33333333333333 0.66666666666667 0.16666666666667 144.242 > 2 5 Nd 0.00000000000000 0.00000000000000 0.50000000000000 144.242 > 2 6 Nd 0.66666666666667 0.33333333333333 0.83333333333333 144.242 > 2 *7 O 0.66666666666667 0.33333333333333 0.10305405319003 15.999 > 3 8 O 0.00000000000000 0.00000000000000 0.23027928014331 15.999 > 4 9 O 0.33333333333333 0.66666666666667 0.43638738652336 15.999 > 3 10 O 0.66666666666667 0.33333333333333 0.56361261347664 15.999 > 4 11 O 0.00000000000000 0.00000000000000 0.76972071985669 15.999 > 3 12 O 0.33333333333333 0.66666666666667 0.89694594680997 15.999 > 4 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.816367357985918 0.000000000000000 0.000000000000000 b -5.408183678992959 9.367248908680578 0.000000000000000 c 0.000000000000000 0.000000000000000 18.721279200000001 Atomic positions (fractional): *1 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 > 1 2 K 0.33333333333333 0.00000000000000 0.00000000000000 39.098 > 1 3 K 0.66666666666667 0.00000000000000 0.00000000000000 39.098 > 1 4 K 0.00000000000000 0.33333333333333 0.00000000000000 39.098 > 1 5 K 0.33333333333333 0.33333333333333 0.00000000000000 39.098 > 1 6 K 0.66666666666667 0.33333333333333 0.00000000000000 39.098 > 1 7 K 0.00000000000000 0.66666666666667 0.00000000000000 39.098 > 1 8 K 0.33333333333333 0.66666666666667 0.00000000000000 39.098 > 1 9 K 0.66666666666667 0.66666666666667 0.00000000000000 39.098 > 1 10 K 0.22222222222222 0.11111111111111 0.33333333333333 39.098 > 1 11 K 0.55555555555556 0.11111111111111 0.33333333333333 39.098 > 1 12 K 0.88888888888889 0.11111111111111 0.33333333333333 39.098 > 1 13 K 0.22222222222222 0.44444444444444 0.33333333333333 39.098 > 1 14 K 0.55555555555556 0.44444444444444 0.33333333333333 39.098 > 1 15 K 0.88888888888889 0.44444444444444 0.33333333333333 39.098 > 1 16 K 0.22222222222222 0.77777777777778 0.33333333333333 39.098 > 1 17 K 0.55555555555556 0.77777777777778 0.33333333333333 39.098 > 1 18 K 0.88888888888889 0.77777777777778 0.33333333333333 39.098 > 1 19 K 0.11111111111111 0.22222222222222 0.66666666666667 39.098 > 1 20 K 0.44444444444444 0.22222222222222 0.66666666666667 39.098 > 1 21 K 0.77777777777778 0.22222222222222 0.66666666666667 39.098 > 1 22 K 0.11111111111111 0.55555555555556 0.66666666666667 39.098 > 1 23 K 0.44444444444444 0.55555555555556 0.66666666666667 39.098 > 1 24 K 0.77777777777778 0.55555555555556 0.66666666666667 39.098 > 1 25 K 0.11111111111111 0.88888888888889 0.66666666666667 39.098 > 1 26 K 0.44444444444444 0.88888888888889 0.66666666666667 39.098 > 1 27 K 0.77777777777778 0.88888888888889 0.66666666666667 39.098 > 1 *28 Nd 0.11111111111111 0.22222222222222 0.16666666666667 144.242 > 2 29 Nd 0.44444444444444 0.22222222222222 0.16666666666667 144.242 > 2 30 Nd 0.77777777777778 0.22222222222222 0.16666666666667 144.242 > 2 31 Nd 0.11111111111111 0.55555555555556 0.16666666666667 144.242 > 2 32 Nd 0.44444444444444 0.55555555555556 0.16666666666667 144.242 > 2 33 Nd 0.77777777777778 0.55555555555556 0.16666666666667 144.242 > 2 34 Nd 0.11111111111111 0.88888888888889 0.16666666666667 144.242 > 2 35 Nd 0.44444444444444 0.88888888888889 0.16666666666667 144.242 > 2 36 Nd 0.77777777777778 0.88888888888889 0.16666666666667 144.242 > 2 37 Nd 0.00000000000000 0.00000000000000 0.50000000000000 144.242 > 2 38 Nd 0.33333333333333 0.00000000000000 0.50000000000000 144.242 > 2 39 Nd 0.66666666666667 0.00000000000000 0.50000000000000 144.242 > 2 40 Nd 0.00000000000000 0.33333333333333 0.50000000000000 144.242 > 2 41 Nd 0.33333333333333 0.33333333333333 0.50000000000000 144.242 > 2 42 Nd 0.66666666666667 0.33333333333333 0.50000000000000 144.242 > 2 43 Nd 0.00000000000000 0.66666666666667 0.50000000000000 144.242 > 2 44 Nd 0.33333333333333 0.66666666666667 0.50000000000000 144.242 > 2 45 Nd 0.66666666666667 0.66666666666667 0.50000000000000 144.242 > 2 46 Nd 0.22222222222222 0.11111111111111 0.83333333333333 144.242 > 2 47 Nd 0.55555555555556 0.11111111111111 0.83333333333333 144.242 > 2 48 Nd 0.88888888888889 0.11111111111111 0.83333333333333 144.242 > 2 49 Nd 0.22222222222222 0.44444444444444 0.83333333333333 144.242 > 2 50 Nd 0.55555555555556 0.44444444444444 0.83333333333333 144.242 > 2 51 Nd 0.88888888888889 0.44444444444444 0.83333333333333 144.242 > 2 52 Nd 0.22222222222222 0.77777777777778 0.83333333333333 144.242 > 2 53 Nd 0.55555555555556 0.77777777777778 0.83333333333333 144.242 > 2 54 Nd 0.88888888888889 0.77777777777778 0.83333333333333 144.242 > 2 *55 O 0.22222222222222 0.11111111111111 0.10305405319003 15.999 > 3 56 O 0.55555555555556 0.11111111111111 0.10305405319003 15.999 > 3 57 O 0.88888888888889 0.11111111111111 0.10305405319003 15.999 > 3 58 O 0.22222222222222 0.44444444444444 0.10305405319003 15.999 > 3 59 O 0.55555555555556 0.44444444444444 0.10305405319003 15.999 > 3 60 O 0.88888888888889 0.44444444444444 0.10305405319003 15.999 > 3 61 O 0.22222222222222 0.77777777777778 0.10305405319003 15.999 > 3 62 O 0.55555555555556 0.77777777777778 0.10305405319003 15.999 > 3 63 O 0.88888888888889 0.77777777777778 0.10305405319003 15.999 > 3 64 O 0.00000000000000 0.00000000000000 0.23027928014331 15.999 > 4 65 O 0.33333333333333 0.00000000000000 0.23027928014331 15.999 > 4 66 O 0.66666666666667 0.00000000000000 0.23027928014331 15.999 > 4 67 O 0.00000000000000 0.33333333333333 0.23027928014331 15.999 > 4 68 O 0.33333333333333 0.33333333333333 0.23027928014331 15.999 > 4 69 O 0.66666666666667 0.33333333333333 0.23027928014331 15.999 > 4 70 O 0.00000000000000 0.66666666666667 0.23027928014331 15.999 > 4 71 O 0.33333333333333 0.66666666666667 0.23027928014331 15.999 > 4 72 O 0.66666666666667 0.66666666666667 0.23027928014331 15.999 > 4 73 O 0.11111111111111 0.22222222222222 0.43638738652336 15.999 > 3 74 O 0.44444444444444 0.22222222222222 0.43638738652336 15.999 > 3 75 O 0.77777777777778 0.22222222222222 0.43638738652336 15.999 > 3 76 O 0.11111111111111 0.55555555555556 0.43638738652336 15.999 > 3 77 O 0.44444444444444 0.55555555555556 0.43638738652336 15.999 > 3 78 O 0.77777777777778 0.55555555555556 0.43638738652336 15.999 > 3 79 O 0.11111111111111 0.88888888888889 0.43638738652336 15.999 > 3 80 O 0.44444444444444 0.88888888888889 0.43638738652336 15.999 > 3 81 O 0.77777777777778 0.88888888888889 0.43638738652336 15.999 > 3 82 O 0.22222222222222 0.11111111111111 0.56361261347664 15.999 > 4 83 O 0.55555555555556 0.11111111111111 0.56361261347664 15.999 > 4 84 O 0.88888888888889 0.11111111111111 0.56361261347664 15.999 > 4 85 O 0.22222222222222 0.44444444444444 0.56361261347664 15.999 > 4 86 O 0.55555555555556 0.44444444444444 0.56361261347664 15.999 > 4 87 O 0.88888888888889 0.44444444444444 0.56361261347664 15.999 > 4 88 O 0.22222222222222 0.77777777777778 0.56361261347664 15.999 > 4 89 O 0.55555555555556 0.77777777777778 0.56361261347664 15.999 > 4 90 O 0.88888888888889 0.77777777777778 0.56361261347664 15.999 > 4 91 O 0.00000000000000 0.00000000000000 0.76972071985669 15.999 > 3 92 O 0.33333333333333 0.00000000000000 0.76972071985669 15.999 > 3 93 O 0.66666666666667 0.00000000000000 0.76972071985669 15.999 > 3 94 O 0.00000000000000 0.33333333333333 0.76972071985669 15.999 > 3 95 O 0.33333333333333 0.33333333333333 0.76972071985669 15.999 > 3 96 O 0.66666666666667 0.33333333333333 0.76972071985669 15.999 > 3 97 O 0.00000000000000 0.66666666666667 0.76972071985669 15.999 > 3 98 O 0.33333333333333 0.66666666666667 0.76972071985669 15.999 > 3 99 O 0.66666666666667 0.66666666666667 0.76972071985669 15.999 > 3 100 O 0.11111111111111 0.22222222222222 0.89694594680997 15.999 > 4 101 O 0.44444444444444 0.22222222222222 0.89694594680997 15.999 > 4 102 O 0.77777777777778 0.22222222222222 0.89694594680997 15.999 > 4 103 O 0.11111111111111 0.55555555555556 0.89694594680997 15.999 > 4 104 O 0.44444444444444 0.55555555555556 0.89694594680997 15.999 > 4 105 O 0.77777777777778 0.55555555555556 0.89694594680997 15.999 > 4 106 O 0.11111111111111 0.88888888888889 0.89694594680997 15.999 > 4 107 O 0.44444444444444 0.88888888888889 0.89694594680997 15.999 > 4 108 O 0.77777777777778 0.88888888888889 0.89694594680997 15.999 > 4 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0631512 0.0000000 0.0000000 0.0000000 4.0631512 0.0000000 0.0000000 0.0000000 3.2686922 -------------------------- Born effective charges -------------------------- 1 K 1.0399568 0.0000000 0.0000000 -0.0000000 1.0399568 0.0000000 0.0000000 0.0000000 1.5288938 2 Nd 4.4627780 -0.0000000 0.0000000 -0.0000000 4.4627780 0.0000000 0.0000000 0.0000000 2.3819013 3 O -2.7513674 0.0000000 0.0000000 0.0000000 -2.7513674 0.0000000 0.0000000 0.0000000 -1.9553975 4 O -2.7513674 0.0000000 0.0000000 0.0000000 -2.7513674 0.0000000 0.0000000 0.0000000 -1.9553975 ---------------------------------------------------------------------------- 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): 11 --- Eigsh_solver_block: 1 / 11 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 11 --- Block_size: 56 Use standard eigh solver. --- Eigsh_solver_block: 3 / 11 --- Block_size: 54 Use standard eigh solver. --- Eigsh_solver_block: 4 / 11 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 5 / 11 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 6 / 11 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 7 / 11 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 8 / 11 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 9 / 11 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 10 / 11 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 11 / 11 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (54, 51), data: True |-- (56, 56), data: True |-- (97, 94), data: True ----- Solver_atoms: 1 -- 108 / 108 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 80 / 80 - Time: 0.130 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.137 --------------------------------- 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): 11 --- Eigsh_solver_block: 1 / 11 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 11 --- Block_size: 56 Use standard eigh solver. --- Eigsh_solver_block: 3 / 11 --- Block_size: 54 Use standard eigh solver. --- Eigsh_solver_block: 4 / 11 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 5 / 11 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 6 / 11 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 7 / 11 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 8 / 11 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 9 / 11 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 10 / 11 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 11 / 11 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (54, 51), data: True |-- (56, 56), data: True |-- (97, 94), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 23:20:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:20:23]------------------------- 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 1.802727892997655 1.040805434297841 6.240426399999994 b -1.802727892997651 1.040805434297841 6.240426399999994 c 0.000000000000002 -2.081610868595685 6.240426399999994 Atomic positions (fractional): 1 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 2 Nd 0.50000000000000 0.50000000000000 0.50000000000000 144.242 3 O 0.76972071985669 0.76972071985669 0.76972071985669 15.999 4 O 0.23027928014331 0.23027928014331 0.23027928014331 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.816367357985918 0.000000000000000 0.000000000000000 b -5.408183678992959 9.367248908680578 0.000000000000000 c 0.000000000000000 0.000000000000000 18.721279200000001 Atomic positions (fractional): 1 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 > 1 2 K 0.33333333333333 0.00000000000000 0.00000000000000 39.098 > 1 3 K 0.66666666666667 0.00000000000000 0.00000000000000 39.098 > 1 4 K 0.00000000000000 0.33333333333333 0.00000000000000 39.098 > 1 5 K 0.33333333333333 0.33333333333333 0.00000000000000 39.098 > 1 6 K 0.66666666666667 0.33333333333333 0.00000000000000 39.098 > 1 7 K 0.00000000000000 0.66666666666667 0.00000000000000 39.098 > 1 8 K 0.33333333333333 0.66666666666667 0.00000000000000 39.098 > 1 9 K 0.66666666666667 0.66666666666667 0.00000000000000 39.098 > 1 10 K 0.22222222222222 0.11111111111111 0.33333333333333 39.098 > 1 11 K 0.55555555555556 0.11111111111111 0.33333333333333 39.098 > 1 12 K 0.88888888888889 0.11111111111111 0.33333333333333 39.098 > 1 13 K 0.22222222222222 0.44444444444444 0.33333333333333 39.098 > 1 14 K 0.55555555555556 0.44444444444444 0.33333333333333 39.098 > 1 15 K 0.88888888888889 0.44444444444444 0.33333333333333 39.098 > 1 16 K 0.22222222222222 0.77777777777778 0.33333333333333 39.098 > 1 17 K 0.55555555555556 0.77777777777778 0.33333333333333 39.098 > 1 18 K 0.88888888888889 0.77777777777778 0.33333333333333 39.098 > 1 19 K 0.11111111111111 0.22222222222222 0.66666666666667 39.098 > 1 20 K 0.44444444444444 0.22222222222222 0.66666666666667 39.098 > 1 21 K 0.77777777777778 0.22222222222222 0.66666666666667 39.098 > 1 22 K 0.11111111111111 0.55555555555556 0.66666666666667 39.098 > 1 23 K 0.44444444444444 0.55555555555556 0.66666666666667 39.098 > 1 24 K 0.77777777777778 0.55555555555556 0.66666666666667 39.098 > 1 25 K 0.11111111111111 0.88888888888889 0.66666666666667 39.098 > 1 26 K 0.44444444444444 0.88888888888889 0.66666666666667 39.098 > 1 27 K 0.77777777777778 0.88888888888889 0.66666666666667 39.098 > 1 28 Nd 0.11111111111111 0.22222222222222 0.16666666666667 144.242 > 28 29 Nd 0.44444444444444 0.22222222222222 0.16666666666667 144.242 > 28 30 Nd 0.77777777777778 0.22222222222222 0.16666666666667 144.242 > 28 31 Nd 0.11111111111111 0.55555555555556 0.16666666666667 144.242 > 28 32 Nd 0.44444444444444 0.55555555555556 0.16666666666667 144.242 > 28 33 Nd 0.77777777777778 0.55555555555556 0.16666666666667 144.242 > 28 34 Nd 0.11111111111111 0.88888888888889 0.16666666666667 144.242 > 28 35 Nd 0.44444444444444 0.88888888888889 0.16666666666667 144.242 > 28 36 Nd 0.77777777777778 0.88888888888889 0.16666666666667 144.242 > 28 37 Nd 0.00000000000000 0.00000000000000 0.50000000000000 144.242 > 28 38 Nd 0.33333333333333 0.00000000000000 0.50000000000000 144.242 > 28 39 Nd 0.66666666666667 0.00000000000000 0.50000000000000 144.242 > 28 40 Nd 0.00000000000000 0.33333333333333 0.50000000000000 144.242 > 28 41 Nd 0.33333333333333 0.33333333333333 0.50000000000000 144.242 > 28 42 Nd 0.66666666666667 0.33333333333333 0.50000000000000 144.242 > 28 43 Nd 0.00000000000000 0.66666666666667 0.50000000000000 144.242 > 28 44 Nd 0.33333333333333 0.66666666666667 0.50000000000000 144.242 > 28 45 Nd 0.66666666666667 0.66666666666667 0.50000000000000 144.242 > 28 46 Nd 0.22222222222222 0.11111111111111 0.83333333333333 144.242 > 28 47 Nd 0.55555555555556 0.11111111111111 0.83333333333333 144.242 > 28 48 Nd 0.88888888888889 0.11111111111111 0.83333333333333 144.242 > 28 49 Nd 0.22222222222222 0.44444444444444 0.83333333333333 144.242 > 28 50 Nd 0.55555555555556 0.44444444444444 0.83333333333333 144.242 > 28 51 Nd 0.88888888888889 0.44444444444444 0.83333333333333 144.242 > 28 52 Nd 0.22222222222222 0.77777777777778 0.83333333333333 144.242 > 28 53 Nd 0.55555555555556 0.77777777777778 0.83333333333333 144.242 > 28 54 Nd 0.88888888888889 0.77777777777778 0.83333333333333 144.242 > 28 55 O 0.22222222222222 0.11111111111111 0.10305405319003 15.999 > 55 56 O 0.55555555555556 0.11111111111111 0.10305405319003 15.999 > 55 57 O 0.88888888888889 0.11111111111111 0.10305405319003 15.999 > 55 58 O 0.22222222222222 0.44444444444444 0.10305405319003 15.999 > 55 59 O 0.55555555555556 0.44444444444444 0.10305405319003 15.999 > 55 60 O 0.88888888888889 0.44444444444444 0.10305405319003 15.999 > 55 61 O 0.22222222222222 0.77777777777778 0.10305405319003 15.999 > 55 62 O 0.55555555555556 0.77777777777778 0.10305405319003 15.999 > 55 63 O 0.88888888888889 0.77777777777778 0.10305405319003 15.999 > 55 64 O 0.00000000000000 0.00000000000000 0.23027928014331 15.999 > 64 65 O 0.33333333333333 0.00000000000000 0.23027928014331 15.999 > 64 66 O 0.66666666666667 0.00000000000000 0.23027928014331 15.999 > 64 67 O 0.00000000000000 0.33333333333333 0.23027928014331 15.999 > 64 68 O 0.33333333333333 0.33333333333333 0.23027928014331 15.999 > 64 69 O 0.66666666666667 0.33333333333333 0.23027928014331 15.999 > 64 70 O 0.00000000000000 0.66666666666667 0.23027928014331 15.999 > 64 71 O 0.33333333333333 0.66666666666667 0.23027928014331 15.999 > 64 72 O 0.66666666666667 0.66666666666667 0.23027928014331 15.999 > 64 73 O 0.11111111111111 0.22222222222222 0.43638738652336 15.999 > 55 74 O 0.44444444444444 0.22222222222222 0.43638738652336 15.999 > 55 75 O 0.77777777777778 0.22222222222222 0.43638738652336 15.999 > 55 76 O 0.11111111111111 0.55555555555556 0.43638738652336 15.999 > 55 77 O 0.44444444444444 0.55555555555556 0.43638738652336 15.999 > 55 78 O 0.77777777777778 0.55555555555556 0.43638738652336 15.999 > 55 79 O 0.11111111111111 0.88888888888889 0.43638738652336 15.999 > 55 80 O 0.44444444444444 0.88888888888889 0.43638738652336 15.999 > 55 81 O 0.77777777777778 0.88888888888889 0.43638738652336 15.999 > 55 82 O 0.22222222222222 0.11111111111111 0.56361261347664 15.999 > 64 83 O 0.55555555555556 0.11111111111111 0.56361261347664 15.999 > 64 84 O 0.88888888888889 0.11111111111111 0.56361261347664 15.999 > 64 85 O 0.22222222222222 0.44444444444444 0.56361261347664 15.999 > 64 86 O 0.55555555555556 0.44444444444444 0.56361261347664 15.999 > 64 87 O 0.88888888888889 0.44444444444444 0.56361261347664 15.999 > 64 88 O 0.22222222222222 0.77777777777778 0.56361261347664 15.999 > 64 89 O 0.55555555555556 0.77777777777778 0.56361261347664 15.999 > 64 90 O 0.88888888888889 0.77777777777778 0.56361261347664 15.999 > 64 91 O 0.00000000000000 0.00000000000000 0.76972071985669 15.999 > 55 92 O 0.33333333333333 0.00000000000000 0.76972071985669 15.999 > 55 93 O 0.66666666666667 0.00000000000000 0.76972071985669 15.999 > 55 94 O 0.00000000000000 0.33333333333333 0.76972071985669 15.999 > 55 95 O 0.33333333333333 0.33333333333333 0.76972071985669 15.999 > 55 96 O 0.66666666666667 0.33333333333333 0.76972071985669 15.999 > 55 97 O 0.00000000000000 0.66666666666667 0.76972071985669 15.999 > 55 98 O 0.33333333333333 0.66666666666667 0.76972071985669 15.999 > 55 99 O 0.66666666666667 0.66666666666667 0.76972071985669 15.999 > 55 100 O 0.11111111111111 0.22222222222222 0.89694594680997 15.999 > 64 101 O 0.44444444444444 0.22222222222222 0.89694594680997 15.999 > 64 102 O 0.77777777777778 0.22222222222222 0.89694594680997 15.999 > 64 103 O 0.11111111111111 0.55555555555556 0.89694594680997 15.999 > 64 104 O 0.44444444444444 0.55555555555556 0.89694594680997 15.999 > 64 105 O 0.77777777777778 0.55555555555556 0.89694594680997 15.999 > 64 106 O 0.11111111111111 0.88888888888889 0.89694594680997 15.999 > 64 107 O 0.44444444444444 0.88888888888889 0.89694594680997 15.999 > 64 108 O 0.77777777777778 0.88888888888889 0.89694594680997 15.999 > 64 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0631512 0.0000000 0.0000000 0.0000000 4.0631512 0.0000000 0.0000000 0.0000000 3.2686922 -------------------------- Born effective charges -------------------------- 1 K 1.0399568 0.0000000 0.0000000 -0.0000000 1.0399568 0.0000000 0.0000000 0.0000000 1.5288938 2 Nd 4.4627780 -0.0000000 0.0000000 -0.0000000 4.4627780 0.0000000 0.0000000 0.0000000 2.3819013 3 O -2.7513674 0.0000000 0.0000000 0.0000000 -2.7513674 0.0000000 0.0000000 0.0000000 -1.9553975 4 O -2.7513674 0.0000000 0.0000000 0.0000000 -2.7513674 0.0000000 0.0000000 0.0000000 -1.9553975 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 28, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 55, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xxz) -0.00000000 (xxz) -0.00000000 (xzx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:20:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:20:27]------------------------- 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 1.802727892997655 1.040805434297841 6.240426399999994 b -1.802727892997651 1.040805434297841 6.240426399999994 c 0.000000000000002 -2.081610868595685 6.240426399999994 Atomic positions (fractional): 1 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 2 Nd 0.50000000000000 0.50000000000000 0.50000000000000 144.242 3 O 0.76972071985669 0.76972071985669 0.76972071985669 15.999 4 O 0.23027928014331 0.23027928014331 0.23027928014331 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.816367357985918 0.000000000000000 0.000000000000000 b -5.408183678992959 9.367248908680578 0.000000000000000 c 0.000000000000000 0.000000000000000 18.721279200000001 Atomic positions (fractional): 1 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 > 1 2 K 0.33333333333333 0.00000000000000 0.00000000000000 39.098 > 1 3 K 0.66666666666667 0.00000000000000 0.00000000000000 39.098 > 1 4 K 0.00000000000000 0.33333333333333 0.00000000000000 39.098 > 1 5 K 0.33333333333333 0.33333333333333 0.00000000000000 39.098 > 1 6 K 0.66666666666667 0.33333333333333 0.00000000000000 39.098 > 1 7 K 0.00000000000000 0.66666666666667 0.00000000000000 39.098 > 1 8 K 0.33333333333333 0.66666666666667 0.00000000000000 39.098 > 1 9 K 0.66666666666667 0.66666666666667 0.00000000000000 39.098 > 1 10 K 0.22222222222222 0.11111111111111 0.33333333333333 39.098 > 1 11 K 0.55555555555556 0.11111111111111 0.33333333333333 39.098 > 1 12 K 0.88888888888889 0.11111111111111 0.33333333333333 39.098 > 1 13 K 0.22222222222222 0.44444444444444 0.33333333333333 39.098 > 1 14 K 0.55555555555556 0.44444444444444 0.33333333333333 39.098 > 1 15 K 0.88888888888889 0.44444444444444 0.33333333333333 39.098 > 1 16 K 0.22222222222222 0.77777777777778 0.33333333333333 39.098 > 1 17 K 0.55555555555556 0.77777777777778 0.33333333333333 39.098 > 1 18 K 0.88888888888889 0.77777777777778 0.33333333333333 39.098 > 1 19 K 0.11111111111111 0.22222222222222 0.66666666666667 39.098 > 1 20 K 0.44444444444444 0.22222222222222 0.66666666666667 39.098 > 1 21 K 0.77777777777778 0.22222222222222 0.66666666666667 39.098 > 1 22 K 0.11111111111111 0.55555555555556 0.66666666666667 39.098 > 1 23 K 0.44444444444444 0.55555555555556 0.66666666666667 39.098 > 1 24 K 0.77777777777778 0.55555555555556 0.66666666666667 39.098 > 1 25 K 0.11111111111111 0.88888888888889 0.66666666666667 39.098 > 1 26 K 0.44444444444444 0.88888888888889 0.66666666666667 39.098 > 1 27 K 0.77777777777778 0.88888888888889 0.66666666666667 39.098 > 1 28 Nd 0.11111111111111 0.22222222222222 0.16666666666667 144.242 > 28 29 Nd 0.44444444444444 0.22222222222222 0.16666666666667 144.242 > 28 30 Nd 0.77777777777778 0.22222222222222 0.16666666666667 144.242 > 28 31 Nd 0.11111111111111 0.55555555555556 0.16666666666667 144.242 > 28 32 Nd 0.44444444444444 0.55555555555556 0.16666666666667 144.242 > 28 33 Nd 0.77777777777778 0.55555555555556 0.16666666666667 144.242 > 28 34 Nd 0.11111111111111 0.88888888888889 0.16666666666667 144.242 > 28 35 Nd 0.44444444444444 0.88888888888889 0.16666666666667 144.242 > 28 36 Nd 0.77777777777778 0.88888888888889 0.16666666666667 144.242 > 28 37 Nd 0.00000000000000 0.00000000000000 0.50000000000000 144.242 > 28 38 Nd 0.33333333333333 0.00000000000000 0.50000000000000 144.242 > 28 39 Nd 0.66666666666667 0.00000000000000 0.50000000000000 144.242 > 28 40 Nd 0.00000000000000 0.33333333333333 0.50000000000000 144.242 > 28 41 Nd 0.33333333333333 0.33333333333333 0.50000000000000 144.242 > 28 42 Nd 0.66666666666667 0.33333333333333 0.50000000000000 144.242 > 28 43 Nd 0.00000000000000 0.66666666666667 0.50000000000000 144.242 > 28 44 Nd 0.33333333333333 0.66666666666667 0.50000000000000 144.242 > 28 45 Nd 0.66666666666667 0.66666666666667 0.50000000000000 144.242 > 28 46 Nd 0.22222222222222 0.11111111111111 0.83333333333333 144.242 > 28 47 Nd 0.55555555555556 0.11111111111111 0.83333333333333 144.242 > 28 48 Nd 0.88888888888889 0.11111111111111 0.83333333333333 144.242 > 28 49 Nd 0.22222222222222 0.44444444444444 0.83333333333333 144.242 > 28 50 Nd 0.55555555555556 0.44444444444444 0.83333333333333 144.242 > 28 51 Nd 0.88888888888889 0.44444444444444 0.83333333333333 144.242 > 28 52 Nd 0.22222222222222 0.77777777777778 0.83333333333333 144.242 > 28 53 Nd 0.55555555555556 0.77777777777778 0.83333333333333 144.242 > 28 54 Nd 0.88888888888889 0.77777777777778 0.83333333333333 144.242 > 28 55 O 0.22222222222222 0.11111111111111 0.10305405319003 15.999 > 55 56 O 0.55555555555556 0.11111111111111 0.10305405319003 15.999 > 55 57 O 0.88888888888889 0.11111111111111 0.10305405319003 15.999 > 55 58 O 0.22222222222222 0.44444444444444 0.10305405319003 15.999 > 55 59 O 0.55555555555556 0.44444444444444 0.10305405319003 15.999 > 55 60 O 0.88888888888889 0.44444444444444 0.10305405319003 15.999 > 55 61 O 0.22222222222222 0.77777777777778 0.10305405319003 15.999 > 55 62 O 0.55555555555556 0.77777777777778 0.10305405319003 15.999 > 55 63 O 0.88888888888889 0.77777777777778 0.10305405319003 15.999 > 55 64 O 0.00000000000000 0.00000000000000 0.23027928014331 15.999 > 64 65 O 0.33333333333333 0.00000000000000 0.23027928014331 15.999 > 64 66 O 0.66666666666667 0.00000000000000 0.23027928014331 15.999 > 64 67 O 0.00000000000000 0.33333333333333 0.23027928014331 15.999 > 64 68 O 0.33333333333333 0.33333333333333 0.23027928014331 15.999 > 64 69 O 0.66666666666667 0.33333333333333 0.23027928014331 15.999 > 64 70 O 0.00000000000000 0.66666666666667 0.23027928014331 15.999 > 64 71 O 0.33333333333333 0.66666666666667 0.23027928014331 15.999 > 64 72 O 0.66666666666667 0.66666666666667 0.23027928014331 15.999 > 64 73 O 0.11111111111111 0.22222222222222 0.43638738652336 15.999 > 55 74 O 0.44444444444444 0.22222222222222 0.43638738652336 15.999 > 55 75 O 0.77777777777778 0.22222222222222 0.43638738652336 15.999 > 55 76 O 0.11111111111111 0.55555555555556 0.43638738652336 15.999 > 55 77 O 0.44444444444444 0.55555555555556 0.43638738652336 15.999 > 55 78 O 0.77777777777778 0.55555555555556 0.43638738652336 15.999 > 55 79 O 0.11111111111111 0.88888888888889 0.43638738652336 15.999 > 55 80 O 0.44444444444444 0.88888888888889 0.43638738652336 15.999 > 55 81 O 0.77777777777778 0.88888888888889 0.43638738652336 15.999 > 55 82 O 0.22222222222222 0.11111111111111 0.56361261347664 15.999 > 64 83 O 0.55555555555556 0.11111111111111 0.56361261347664 15.999 > 64 84 O 0.88888888888889 0.11111111111111 0.56361261347664 15.999 > 64 85 O 0.22222222222222 0.44444444444444 0.56361261347664 15.999 > 64 86 O 0.55555555555556 0.44444444444444 0.56361261347664 15.999 > 64 87 O 0.88888888888889 0.44444444444444 0.56361261347664 15.999 > 64 88 O 0.22222222222222 0.77777777777778 0.56361261347664 15.999 > 64 89 O 0.55555555555556 0.77777777777778 0.56361261347664 15.999 > 64 90 O 0.88888888888889 0.77777777777778 0.56361261347664 15.999 > 64 91 O 0.00000000000000 0.00000000000000 0.76972071985669 15.999 > 55 92 O 0.33333333333333 0.00000000000000 0.76972071985669 15.999 > 55 93 O 0.66666666666667 0.00000000000000 0.76972071985669 15.999 > 55 94 O 0.00000000000000 0.33333333333333 0.76972071985669 15.999 > 55 95 O 0.33333333333333 0.33333333333333 0.76972071985669 15.999 > 55 96 O 0.66666666666667 0.33333333333333 0.76972071985669 15.999 > 55 97 O 0.00000000000000 0.66666666666667 0.76972071985669 15.999 > 55 98 O 0.33333333333333 0.66666666666667 0.76972071985669 15.999 > 55 99 O 0.66666666666667 0.66666666666667 0.76972071985669 15.999 > 55 100 O 0.11111111111111 0.22222222222222 0.89694594680997 15.999 > 64 101 O 0.44444444444444 0.22222222222222 0.89694594680997 15.999 > 64 102 O 0.77777777777778 0.22222222222222 0.89694594680997 15.999 > 64 103 O 0.11111111111111 0.55555555555556 0.89694594680997 15.999 > 64 104 O 0.44444444444444 0.55555555555556 0.89694594680997 15.999 > 64 105 O 0.77777777777778 0.55555555555556 0.89694594680997 15.999 > 64 106 O 0.11111111111111 0.88888888888889 0.89694594680997 15.999 > 64 107 O 0.44444444444444 0.88888888888889 0.89694594680997 15.999 > 64 108 O 0.77777777777778 0.88888888888889 0.89694594680997 15.999 > 64 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.0631512 0.0000000 0.0000000 0.0000000 4.0631512 0.0000000 0.0000000 0.0000000 3.2686922 -------------------------- Born effective charges -------------------------- 1 K 1.0399568 0.0000000 0.0000000 -0.0000000 1.0399568 0.0000000 0.0000000 0.0000000 1.5288938 2 Nd 4.4627780 -0.0000000 0.0000000 -0.0000000 4.4627780 0.0000000 0.0000000 0.0000000 2.3819013 3 O -2.7513674 0.0000000 0.0000000 0.0000000 -2.7513674 0.0000000 0.0000000 0.0000000 -1.9553975 4 O -2.7513674 0.0000000 0.0000000 0.0000000 -2.7513674 0.0000000 0.0000000 0.0000000 -1.9553975 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxz) -0.00000000 (xxz) -0.00000000 (xzx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 16 16 16 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 1.01, Number of G-points: 313, Lambda: 0.20 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/417) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 417 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.873 ( 0.000 0.000 0.000) 0.000 2.873 ( 0.000 0.000 0.000) 0.000 5.501 ( 0.000 0.000 0.000) 0.000 6.659 ( 0.000 0.000 0.000) 0.000 6.659 ( 0.000 0.000 0.000) 0.000 9.408 ( 0.000 0.000 0.000) 0.000 10.217 ( 0.000 0.000 0.000) 0.000 10.217 ( 0.000 0.000 0.000) 0.000 13.216 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/417) ======================= q-point: ( 0.06 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.544 ( 22.201 12.818 7.939) 26.837 0.631 ( 26.758 15.449 2.254) 30.980 1.178 ( 49.717 28.704 4.434) 57.580 2.892 ( 1.763 1.018 -0.976) 2.257 2.997 ( 9.953 5.746 0.205) 11.495 5.501 ( -0.858 -0.495 2.094) 2.317 6.712 ( 4.487 2.591 0.485) 5.204 9.158 ( -14.923 -8.616 -6.346) 18.363 10.174 ( -3.604 -2.081 -0.018) 4.162 10.357 ( 11.564 6.676 -15.470) 20.436 13.069 ( -12.214 -7.052 1.594) 14.193 14.704 ( 2.737 1.580 -14.794) 15.128 ======================= Grid point 2 (3/417) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( 21.662 12.506 6.138) 25.755 1.246 ( 25.619 14.791 2.385) 29.679 2.309 ( 46.325 26.746 3.998) 53.641 2.946 ( 3.244 1.873 -1.857) 4.181 3.320 ( 17.465 10.083 0.431) 20.171 5.475 ( -1.708 -0.986 -0.639) 2.073 6.867 ( 8.590 4.960 0.673) 9.942 8.752 ( -18.164 -10.487 1.507) 21.028 10.059 ( -6.005 -3.467 0.032) 6.934 10.551 ( 8.727 5.039 -16.620) 19.436 12.706 ( -19.391 -11.195 6.324) 23.267 14.684 ( -1.593 -0.920 -9.183) 9.365 ======================= Grid point 3 (4/417) ======================= q-point: ( 0.19 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( 20.515 11.844 4.424) 24.098 1.822 ( 23.304 13.455 2.598) 27.034 3.026 ( 4.253 2.455 -2.589) 5.551 3.293 ( 35.754 20.643 3.493) 41.433 3.811 ( 25.875 14.939 0.309) 29.880 5.411 ( -3.591 -2.073 -2.441) 4.811 7.103 ( 11.369 6.564 0.431) 13.135 8.374 ( -14.098 -8.140 0.595) 16.290 9.914 ( -6.169 -3.562 0.199) 7.126 10.617 ( 1.100 0.635 -15.723) 15.775 12.249 ( -22.488 -12.983 13.356) 29.200 14.563 ( -5.739 -3.313 -10.815) 12.683 ======================= Grid point 4 (5/417) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( 18.531 10.699 3.522) 21.685 2.330 ( 19.622 11.329 2.876) 22.840 3.121 ( 4.762 2.749 -3.161) 6.343 3.938 ( 20.918 12.077 2.725) 24.307 4.518 ( 32.561 18.799 -0.772) 37.606 5.290 ( -6.086 -3.514 -2.709) 7.532 7.374 ( 11.451 6.611 -0.123) 13.223 8.134 ( -6.047 -3.491 -1.478) 7.137 9.797 ( -3.580 -2.067 0.464) 4.160 10.483 ( -8.105 -4.680 -15.786) 18.352 11.766 ( -24.200 -13.972 19.253) 33.934 14.374 ( -6.371 -3.678 -12.537) 14.536 ======================= Grid point 5 (6/417) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.456 ( 15.709 9.069 3.387) 18.452 2.738 ( 14.594 8.426 3.140) 17.142 3.223 ( 4.978 2.874 -3.533) 6.747 4.354 ( 15.046 8.687 1.791) 17.465 5.076 ( -1.647 -0.951 -12.313) 12.459 5.240 ( 19.352 11.173 8.165) 23.791 7.607 ( 8.441 4.874 -0.642) 9.768 8.099 ( 3.832 2.212 -3.081) 5.392 9.766 ( 0.821 0.474 0.677) 1.165 10.163 ( -14.126 -8.156 -14.556) 21.862 11.237 ( -27.530 -15.894 18.942) 37.004 14.221 ( -2.998 -1.731 -10.902) 11.438 ======================= Grid point 6 (7/417) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.791 ( 12.104 6.988 3.352) 14.373 3.016 ( 8.521 4.919 2.887) 10.254 3.328 ( 5.072 2.929 -3.242) 6.695 4.645 ( 9.343 5.394 -1.008) 10.835 4.889 ( -7.359 -4.249 -3.340) 9.131 5.713 ( 16.451 9.498 1.164) 19.031 7.752 ( 4.385 2.532 -0.773) 5.122 8.282 ( 12.498 7.216 -3.743) 14.909 9.784 ( -13.921 -8.038 -10.908) 19.427 9.829 ( 3.954 2.283 0.641) 4.610 10.617 ( -30.348 -17.521 13.457) 37.538 14.167 ( 0.580 0.335 -6.732) 6.765 ======================= Grid point 7 (8/417) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.027 ( 7.139 4.122 2.419) 8.591 3.157 ( 3.338 1.927 1.516) 4.141 3.425 ( 3.602 2.080 -1.723) 4.502 4.654 ( -4.756 -2.746 -4.930) 7.380 4.878 ( 4.168 2.406 2.275) 5.323 5.998 ( 8.102 4.678 0.130) 9.356 7.816 ( 1.579 0.912 -0.490) 1.888 8.625 ( 17.362 10.024 -3.628) 20.373 9.490 ( -8.417 -4.859 -5.753) 11.294 9.923 ( 3.378 1.950 0.366) 3.918 9.967 ( -27.567 -15.916 7.639) 32.735 14.180 ( 1.400 0.808 -2.860) 3.285 ======================= Grid point 8 (9/417) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 554 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.117 ( 0.000 0.000 0.000) 0.000 3.196 ( 0.000 0.000 0.000) 0.000 3.466 ( 0.000 0.000 0.000) 0.000 4.580 ( 0.000 0.000 0.000) 0.000 4.936 ( 0.000 0.000 0.000) 0.000 6.091 ( 0.000 0.000 0.000) 0.000 7.832 ( 0.000 0.000 0.000) 0.000 8.915 ( 0.000 0.000 0.000) 0.000 9.380 ( 0.000 0.000 0.000) 0.000 9.562 ( 0.000 0.000 0.000) 0.000 9.966 ( 0.000 0.000 0.000) 0.000 14.194 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 18 (10/417) ======================= q-point: ( 0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( 0.000 23.790 16.487) 28.945 0.654 ( -0.000 30.020 6.669) 30.752 1.189 ( -0.000 56.541 6.784) 56.947 2.895 ( -0.000 2.297 -0.307) 2.318 2.989 ( -0.000 11.191 -1.489) 11.289 5.508 ( 0.000 -2.425 3.323) 4.114 6.711 ( -0.000 5.093 0.201) 5.097 9.076 ( -0.000 -10.155 -22.042) 24.269 10.172 ( 0.000 -4.235 -0.417) 4.256 10.366 ( -0.000 15.640 -12.641) 20.110 13.070 ( 0.000 -14.611 1.697) 14.709 14.621 ( -0.000 9.511 -28.109) 29.674 ======================= Grid point 19 (11/417) ======================= q-point: ( 0.12 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( 11.127 20.904 12.479) 26.767 1.114 ( 14.658 26.345 5.015) 30.563 2.027 ( 27.446 46.723 6.123) 54.533 2.933 ( 1.293 3.851 -1.328) 4.274 3.202 ( 9.567 14.574 -1.181) 17.473 5.483 ( -0.936 -1.820 -0.333) 2.074 6.819 ( 4.729 7.679 0.653) 9.042 8.844 ( -6.951 -17.057 -3.468) 18.743 10.068 ( -3.804 -6.390 -1.266) 7.543 10.493 ( 2.216 13.570 -16.558) 21.522 12.822 ( -9.098 -19.122 4.654) 21.682 14.645 ( 1.578 2.361 -15.408) 15.667 ======================= Grid point 20 (12/417) ======================= q-point: ( 0.19 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( 14.643 17.375 8.127) 24.132 1.664 ( 17.593 23.149 4.061) 29.358 2.987 ( 31.073 35.081 5.310) 47.164 3.007 ( 2.264 5.692 -2.410) 6.583 3.590 ( 17.664 16.948 -1.096) 24.504 5.431 ( -2.336 -2.372 -2.427) 4.119 7.025 ( 8.084 10.415 0.881) 13.213 8.510 ( -11.977 -13.314 0.725) 17.923 9.929 ( -3.268 -7.846 -1.110) 8.572 10.568 ( 0.685 5.997 -17.222) 18.250 12.440 ( -13.987 -20.698 10.634) 27.150 14.584 ( -3.845 -1.614 -12.336) 13.022 ======================= Grid point 21 (13/417) ======================= q-point: ( 0.25 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( 15.631 13.758 5.196) 21.462 2.195 ( 16.368 20.781 3.599) 26.696 3.105 ( 2.437 7.576 -3.257) 8.599 3.734 ( 20.787 18.865 4.481) 28.427 4.188 ( 28.397 23.051 -1.980) 36.629 5.335 ( -4.353 -3.422 -2.822) 6.215 7.298 ( 9.141 12.675 0.683) 15.642 8.214 ( -9.180 -7.307 -0.517) 11.744 9.804 ( -2.082 -6.390 -0.422) 6.734 10.497 ( -4.808 -2.349 -16.966) 17.790 12.012 ( -16.655 -20.784 16.918) 31.553 14.413 ( -7.196 -3.274 -13.058) 15.265 ======================= Grid point 22 (14/417) ======================= q-point: ( 0.31 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.281 ( 15.282 9.795 3.686) 18.522 2.657 ( 12.614 18.449 3.222) 22.580 3.218 ( 2.010 9.521 -3.882) 10.476 4.192 ( 15.326 10.856 3.364) 19.080 4.872 ( 23.087 16.235 -8.984) 29.619 5.219 ( -2.655 -0.831 3.964) 4.843 7.576 ( 6.771 13.785 0.206) 15.360 8.069 ( -1.325 -1.545 -2.412) 3.156 9.742 ( 0.764 -3.078 0.277) 3.183 10.246 ( -10.954 -8.100 -16.022) 21.032 11.547 ( -20.741 -20.563 18.770) 34.718 14.222 ( -5.127 -3.140 -12.220) 13.619 ======================= Grid point 23 (15/417) ======================= q-point: ( 0.38 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.623 ( 13.762 5.676 2.850) 15.157 3.008 ( 6.932 15.303 2.581) 16.997 3.341 ( 1.379 11.841 -3.908) 12.545 4.522 ( 11.460 6.571 1.699) 13.319 4.937 ( -5.133 -4.583 -8.656) 11.057 5.536 ( 17.134 12.761 4.705) 21.876 7.791 ( 1.669 14.035 -0.276) 14.137 8.128 ( 8.492 2.522 -3.652) 9.582 9.771 ( 3.741 -0.275 1.071) 3.901 9.890 ( -12.889 -9.560 -13.141) 20.742 10.992 ( -26.615 -19.046 14.469) 35.783 14.115 ( 0.221 -2.718 -8.289) 8.726 ======================= Grid point 24 (16/417) ======================= q-point: ( 0.44 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.881 ( 10.691 1.399 1.581) 10.897 3.218 ( 1.074 12.113 0.905) 12.194 3.471 ( -0.171 13.318 -2.387) 13.531 4.673 ( -0.802 -0.495 -5.630) 5.709 4.831 ( 2.411 -0.533 1.811) 3.062 5.892 ( 10.886 7.037 1.933) 13.105 7.913 ( -3.356 14.084 -0.516) 14.487 8.374 ( 16.748 4.014 -4.082) 17.700 9.560 ( -9.725 -7.663 -7.830) 14.649 9.840 ( 2.893 -2.816 1.519) 4.313 10.383 ( -27.731 -11.075 7.801) 30.863 14.106 ( 3.796 -3.263 -3.788) 6.277 ======================= Grid point 25 (17/417) ======================= q-point: ( 0.50 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.018 ( 5.489 -2.933 -0.920) 6.291 3.311 ( -3.231 10.376 -0.679) 10.889 3.562 ( -3.752 11.845 -0.359) 12.431 4.592 ( -2.113 -0.431 -2.809) 3.542 4.907 ( 2.913 -0.867 1.452) 3.368 6.068 ( 3.830 1.737 1.221) 4.380 7.964 ( -6.558 13.948 -0.348) 15.417 8.706 ( 17.772 -0.656 -3.744) 18.174 9.378 ( -2.307 -3.287 -2.203) 4.580 9.664 ( -12.678 -11.701 3.556) 17.616 10.072 ( -7.517 7.469 0.689) 10.619 14.133 ( 4.077 -4.468 -0.445) 6.065 ======================= Grid point 26 (18/417) ======================= q-point: (-0.44 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.003 ( -0.682 -6.556 -3.725) 7.571 3.306 ( -7.550 8.115 -1.606) 11.200 3.571 ( -7.818 9.630 1.389) 12.481 4.615 ( 3.681 2.683 1.595) 4.826 4.896 ( -1.780 -3.689 -0.671) 4.151 6.068 ( -3.810 -2.733 1.131) 4.823 7.966 ( -8.551 12.695 0.038) 15.306 8.732 ( -6.415 -15.036 1.228) 16.394 9.405 ( 6.295 1.588 3.088) 7.189 9.629 ( 14.216 4.741 -3.252) 15.335 10.062 ( -3.768 9.210 -1.138) 10.016 14.147 ( 2.783 -5.181 2.247) 6.295 ======================= Grid point 27 (19/417) ======================= q-point: (-0.38 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.847 ( -6.452 -8.680 -5.049) 11.936 3.202 ( -11.656 5.427 -2.132) 13.033 3.498 ( -10.865 7.261 2.733) 13.350 4.727 ( -2.412 -2.065 5.162) 6.060 4.807 ( 3.713 0.181 -3.101) 4.841 5.886 ( -12.309 -6.507 0.852) 13.950 7.918 ( -10.305 9.728 0.392) 14.177 8.411 ( -11.587 -12.380 3.283) 17.271 9.639 ( 13.535 5.191 7.540) 16.340 9.828 ( 2.563 -3.489 -0.714) 4.388 10.292 ( 19.638 17.483 -10.061) 28.152 14.152 ( 2.330 -4.133 5.291) 7.106 ======================= Grid point 28 (20/417) ======================= q-point: (-0.31 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.585 ( -11.393 -9.118 -4.641) 15.312 2.984 ( -17.242 1.991 -2.401) 17.522 3.377 ( -10.780 4.940 3.302) 12.309 4.510 ( -12.310 -7.546 -0.788) 14.460 4.999 ( 9.790 3.907 3.306) 11.047 5.510 ( -21.956 -10.003 -0.140) 24.128 7.795 ( -12.874 5.063 0.476) 13.841 8.164 ( -6.729 -6.128 3.481) 9.745 9.759 ( -0.953 -3.497 -1.360) 3.871 10.022 ( 15.937 7.279 12.951) 21.788 10.834 ( 27.409 12.948 -16.836) 34.675 14.201 ( 4.049 -0.968 8.534) 9.495 ======================= Grid point 29 (21/417) ======================= q-point: (-0.25 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.245 ( -16.024 -8.470 -3.527) 18.465 2.630 ( -22.614 -1.517 -2.124) 22.764 3.252 ( -9.355 2.973 2.901) 10.235 4.168 ( -17.576 -8.254 -1.472) 19.473 4.923 ( -31.721 -13.186 0.633) 34.358 5.207 ( 8.352 3.147 2.025) 9.152 7.576 ( -15.357 0.491 0.261) 15.367 8.094 ( 1.265 0.013 2.429) 2.739 9.737 ( 2.570 -1.915 -0.815) 3.307 10.397 ( 13.248 5.434 13.554) 19.717 11.358 ( 27.602 8.721 -18.319) 34.256 14.335 ( 6.629 2.457 9.968) 12.220 ======================= Grid point 30 (22/417) ======================= q-point: (-0.19 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( -20.412 -7.049 -2.550) 21.745 2.168 ( -26.491 -3.837 -1.675) 26.820 3.133 ( -7.856 1.379 2.137) 8.257 3.703 ( -27.498 -8.910 -1.513) 28.945 4.194 ( -34.534 -12.437 -0.690) 36.712 5.359 ( 5.535 1.677 2.025) 6.128 7.294 ( -15.656 -1.936 -0.105) 15.775 8.220 ( 10.022 3.934 0.664) 10.787 9.805 ( 6.754 -0.862 -0.306) 6.816 10.640 ( 5.268 2.029 10.823) 12.207 11.860 ( 27.689 6.604 -12.856) 31.234 14.521 ( 6.995 3.362 8.095) 11.214 ======================= Grid point 31 (23/417) ======================= q-point: (-0.12 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( -24.027 -4.745 -1.856) 24.562 1.638 ( -29.240 -3.894 -1.006) 29.515 2.953 ( -46.636 -9.486 -1.334) 47.610 3.025 ( -6.080 0.314 1.181) 6.201 3.593 ( -23.692 -5.966 -0.558) 24.438 5.447 ( 2.904 0.558 0.775) 3.057 7.019 ( -13.143 -1.836 -0.266) 13.274 8.503 ( 17.104 4.210 -0.634) 17.626 9.934 ( 8.550 -0.577 0.077) 8.569 10.694 ( -3.486 0.196 7.108) 7.919 12.358 ( 26.408 4.342 -5.305) 27.283 14.669 ( 4.316 1.664 4.300) 6.315 ======================= Grid point 32 (24/417) ======================= q-point: (-0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( -26.147 0.000 0.000) 26.147 1.089 ( -30.929 0.000 0.000) 30.929 1.996 ( -55.122 0.000 0.000) 55.122 2.940 ( -3.982 0.000 0.000) 3.982 3.208 ( -17.438 0.000 0.000) 17.438 5.484 ( 1.242 -0.000 -0.000) 1.242 6.815 ( -9.017 0.000 0.000) 9.017 8.862 ( 20.875 -0.000 -0.000) 20.875 10.074 ( 7.488 -0.000 -0.000) 7.488 10.581 ( -10.670 0.000 0.000) 10.670 12.797 ( 21.714 -0.000 -0.000) 21.714 14.728 ( 0.946 -0.000 -0.000) 0.946 ======================= Grid point 35 (25/417) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( 0.000 22.561 13.935) 26.517 1.282 ( -0.000 28.325 5.660) 28.885 2.338 ( -0.000 53.202 6.722) 53.625 2.957 ( -0.000 4.161 -0.740) 4.226 3.285 ( -0.000 19.267 -2.959) 19.493 5.469 ( -0.000 -2.141 -1.285) 2.498 6.865 ( -0.000 10.037 0.549) 10.052 8.696 ( 0.000 -17.496 -3.800) 17.904 10.050 ( 0.000 -7.135 -0.801) 7.179 10.561 ( -0.000 11.436 -15.122) 18.959 12.687 ( 0.000 -24.818 4.622) 25.244 14.609 ( -0.000 3.466 -15.108) 15.500 ======================= Grid point 36 (26/417) ======================= q-point: ( 0.19 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( 6.242 20.224 10.874) 23.796 1.680 ( 10.972 26.089 4.913) 28.725 3.009 ( 14.646 44.657 6.462) 47.440 3.022 ( 2.330 6.099 -1.458) 6.689 3.550 ( 8.065 21.669 -3.605) 23.400 5.430 ( -1.259 -2.416 -2.455) 3.667 7.027 ( 5.253 12.453 0.990) 13.552 8.493 ( -3.536 -15.735 -0.155) 16.128 9.919 ( -4.918 -7.281 -1.615) 8.933 10.587 ( -1.344 5.651 -16.369) 17.369 12.394 ( -5.331 -27.147 8.246) 28.869 14.579 ( -1.402 0.198 -12.266) 12.347 ======================= Grid point 37 (27/417) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( 9.460 16.223 7.286) 20.144 2.173 ( 14.283 23.960 4.277) 28.220 3.136 ( 3.252 8.742 -2.655) 9.698 3.662 ( 14.180 25.267 5.655) 29.521 4.014 ( 19.284 28.561 -4.327) 34.732 5.358 ( -3.004 -2.787 -2.366) 4.732 7.293 ( 8.485 15.331 1.581) 17.594 8.269 ( -6.576 -10.156 0.224) 12.101 9.767 ( -2.984 -6.811 -2.105) 7.728 10.504 ( -4.464 -1.609 -16.794) 17.451 12.036 ( -8.384 -27.329 13.461) 31.597 14.462 ( -6.125 -2.323 -11.713) 13.420 ======================= Grid point 38 (28/417) ======================= q-point: ( 0.31 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.172 ( 11.097 11.660 4.761) 16.787 2.656 ( 12.916 21.769 3.501) 25.554 3.286 ( 2.710 12.757 -3.776) 13.578 4.082 ( 12.317 13.264 4.010) 18.540 4.643 ( 20.895 22.226 -7.792) 31.485 5.275 ( -2.978 -0.045 2.251) 3.733 7.615 ( 8.083 17.600 1.957) 19.466 8.095 ( -4.621 -3.327 -1.434) 5.872 9.682 ( 0.852 -4.747 -1.747) 5.129 10.286 ( -8.873 -7.391 -16.232) 19.921 11.648 ( -11.368 -26.527 16.590) 33.288 14.265 ( -7.944 -3.312 -11.544) 14.399 ======================= Grid point 39 (29/417) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.477 ( 11.430 7.146 3.102) 13.832 3.059 ( 8.617 18.510 2.304) 20.547 3.458 ( 1.411 17.242 -4.275) 17.820 4.404 ( 11.175 7.839 3.241) 14.029 4.906 ( 1.049 -1.306 -12.155) 12.270 5.438 ( 11.442 14.146 7.806) 19.798 7.905 ( 4.971 14.997 1.713) 15.892 8.061 ( 0.782 5.569 -2.943) 6.347 9.692 ( 4.361 -1.735 -1.386) 4.893 9.964 ( -11.870 -9.340 -13.404) 20.194 11.206 ( -16.660 -24.151 14.631) 32.786 14.080 ( -4.205 -4.040 -9.266) 10.948 ======================= Grid point 40 (30/417) ======================= q-point: ( 0.44 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.724 ( 10.216 2.904 1.378) 10.710 3.331 ( 2.792 15.493 0.256) 15.745 3.644 ( -0.463 19.740 -3.059) 19.980 4.628 ( 5.964 3.526 -1.034) 7.005 4.809 ( -2.030 -3.289 -3.217) 5.029 5.789 ( 10.902 9.065 3.986) 14.728 8.119 ( 8.509 7.298 -0.159) 11.211 8.183 ( -0.496 15.962 -2.395) 16.149 9.621 ( -9.704 -8.889 -11.053) 17.186 9.775 ( 2.994 -0.427 1.837) 3.539 10.701 ( -20.790 -16.899 8.741) 28.182 13.988 ( 1.797 -5.661 -5.244) 7.923 ======================= Grid point 41 (31/417) ======================= q-point: ( 0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.886 ( 6.906 -1.073 -1.147) 7.083 3.482 ( -2.141 14.383 -1.453) 14.614 3.792 ( -4.117 18.128 -0.765) 18.606 4.624 ( -2.918 0.643 -5.260) 6.050 4.841 ( 4.025 -0.901 3.367) 5.325 6.005 ( 6.301 2.383 2.562) 7.207 8.290 ( -8.198 22.516 0.227) 23.963 8.378 ( 16.148 -0.788 -3.365) 16.513 9.384 ( -4.870 -5.559 -4.981) 8.912 9.735 ( -6.332 -7.982 3.367) 10.731 10.312 ( -12.867 -0.040 1.717) 12.981 13.979 ( 5.513 -7.647 -1.514) 9.548 ======================= Grid point 42 (32/417) ======================= q-point: (-0.44 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.925 ( 1.776 -4.460 -3.927) 6.202 3.533 ( -7.038 12.628 -2.204) 14.624 3.857 ( -8.089 15.970 1.746) 17.986 4.603 ( 0.515 2.942 -2.126) 3.666 4.868 ( 0.307 -3.444 1.304) 3.695 6.075 ( 0.816 -2.406 2.127) 3.314 8.330 ( -12.186 20.664 -0.544) 23.996 8.564 ( 8.263 -9.513 -1.106) 12.649 9.335 ( 3.614 -0.555 1.099) 3.818 9.549 ( -2.463 -1.901 0.465) 3.146 10.223 ( -5.181 7.212 -1.493) 9.004 14.001 ( 6.295 -8.608 1.340) 10.748 ======================= Grid point 43 (33/417) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.838 ( -3.437 -6.456 -5.354) 9.064 3.475 ( -11.601 9.737 -2.159) 15.299 3.837 ( -12.967 14.231 3.258) 19.527 4.691 ( 6.088 3.564 -0.498) 7.072 4.789 ( -4.123 -5.849 0.005) 7.156 5.997 ( -6.266 -5.215 1.871) 8.364 8.273 ( -14.045 13.669 -1.009) 19.624 8.447 ( -6.571 -10.605 2.911) 12.810 9.494 ( 10.665 4.919 5.190) 12.840 9.671 ( 11.008 1.797 -2.422) 11.414 10.239 ( 1.292 8.377 -5.265) 9.978 14.035 ( 6.152 -7.352 3.807) 10.314 ======================= Grid point 44 (34/417) ======================= q-point: (-0.31 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.654 ( -7.857 -6.685 -4.936) 11.436 3.310 ( -15.974 6.155 -1.913) 17.225 3.715 ( -16.623 11.234 3.550) 20.375 4.611 ( -8.120 -7.314 -1.697) 11.059 4.869 ( 9.553 3.381 1.350) 10.223 5.758 ( -15.390 -6.713 1.371) 16.846 8.108 ( -12.982 2.327 -0.387) 13.195 8.254 ( -10.495 0.288 3.594) 11.097 9.717 ( 2.643 -0.153 -3.049) 4.038 9.862 ( 13.806 4.523 11.804) 18.719 10.477 ( 19.073 8.043 -13.057) 24.473 14.106 ( 6.968 -3.790 5.853) 9.858 ======================= Grid point 45 (35/417) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.406 ( -12.052 -5.490 -3.393) 13.671 3.024 ( -21.569 2.608 -1.447) 21.774 3.531 ( -15.855 7.076 2.753) 17.579 4.355 ( -12.733 -6.492 -1.402) 14.361 5.078 ( 10.102 2.437 0.939) 10.434 5.331 ( -26.107 -7.444 1.014) 27.167 7.887 ( -15.883 2.355 0.032) 16.056 8.120 ( -5.194 0.121 2.593) 5.807 9.686 ( -0.183 -2.472 -1.516) 2.906 10.236 ( 15.874 5.275 11.711) 20.420 10.894 ( 26.299 4.241 -14.769) 30.459 14.244 ( 8.573 0.070 6.278) 10.626 ======================= Grid point 46 (36/417) ======================= q-point: (-0.19 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( -16.599 -3.228 -1.572) 16.983 2.614 ( -26.392 0.214 -0.791) 26.405 3.338 ( -12.667 2.825 1.367) 13.050 4.031 ( -18.442 -3.859 -0.732) 18.856 4.724 ( -35.469 -5.613 -0.310) 35.911 5.260 ( 8.160 0.965 1.159) 8.298 7.595 ( -18.950 0.690 -0.003) 18.962 8.122 ( 4.047 0.917 1.029) 4.275 9.693 ( 3.937 -1.369 -0.472) 4.195 10.543 ( 11.201 1.998 6.326) 13.018 11.369 ( 29.118 2.265 -8.314) 30.367 14.428 ( 8.984 1.433 4.064) 9.964 ======================= Grid point 47 (37/417) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( -21.176 0.000 0.000) 21.176 2.129 ( -28.897 0.000 0.000) 28.897 3.163 ( -9.259 0.000 0.000) 9.259 3.602 ( -30.751 0.000 0.000) 30.751 4.058 ( -34.697 0.000 0.000) 34.697 5.383 ( 5.237 -0.000 -0.000) 5.237 7.277 ( -17.239 0.000 0.000) 17.239 8.269 ( 11.601 -0.000 -0.000) 11.601 9.787 ( 7.437 -0.000 -0.000) 7.437 10.699 ( 4.358 -0.000 -0.000) 4.358 11.879 ( 29.370 -0.000 -0.000) 29.370 14.586 ( 7.159 -0.000 -0.000) 7.159 ======================= Grid point 52 (38/417) ======================= q-point: ( 0.19 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( 0.000 19.460 10.206) 21.974 1.854 ( -0.000 25.223 4.374) 25.599 3.047 ( -0.000 5.361 -1.328) 5.523 3.364 ( -0.000 41.837 7.431) 42.492 3.712 ( -0.000 27.485 -5.971) 28.126 5.409 ( -0.000 -2.209 -2.433) 3.286 7.111 ( -0.000 13.609 0.897) 13.638 8.371 ( 0.000 -13.196 0.797) 13.220 9.893 ( 0.000 -7.403 -1.009) 7.471 10.580 ( -0.000 0.954 -18.240) 18.264 12.172 ( 0.000 -30.446 9.044) 31.761 14.558 ( -0.000 0.255 -10.486) 10.489 ======================= Grid point 53 (39/417) ======================= q-point: ( 0.25 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( 3.601 16.271 7.585) 18.310 2.204 ( 10.107 22.956 3.809) 25.370 3.137 ( 4.187 6.861 -1.893) 8.258 3.776 ( 4.666 24.474 4.850) 25.383 4.082 ( 8.338 35.669 -5.659) 37.065 5.370 ( -1.589 -1.312 -1.334) 2.454 7.316 ( 6.695 15.012 1.402) 16.497 8.245 ( -2.169 -8.855 1.277) 9.206 9.771 ( -4.809 -5.849 -1.847) 7.794 10.478 ( -2.267 -4.769 -18.996) 19.716 11.872 ( -2.615 -31.269 12.086) 33.626 14.494 ( -3.549 -1.279 -9.324) 10.058 ======================= Grid point 54 (40/417) ======================= q-point: ( 0.31 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( 6.138 11.958 5.044) 14.356 2.648 ( 13.615 20.273 3.148) 24.623 3.316 ( 6.820 11.002 -2.809) 13.246 4.071 ( 6.271 14.965 2.062) 16.357 4.573 ( 11.760 25.509 -7.362) 29.037 5.342 ( -1.875 3.759 2.969) 5.144 7.639 ( 10.405 16.921 2.626) 20.037 8.133 ( -3.517 -3.108 -0.046) 4.694 9.639 ( -2.785 -4.010 -3.121) 5.795 10.282 ( -5.505 -8.521 -17.374) 20.119 11.542 ( -4.604 -30.918 14.415) 34.422 14.342 ( -7.941 -2.568 -9.121) 12.363 ======================= Grid point 55 (41/417) ======================= q-point: ( 0.38 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.394 ( 7.877 7.629 3.047) 11.381 3.069 ( 11.890 16.835 1.957) 20.703 3.564 ( 6.152 17.284 -3.739) 18.724 4.321 ( 8.460 8.400 1.761) 12.051 4.831 ( 3.479 4.102 -10.049) 11.397 5.475 ( 4.508 15.168 7.383) 17.461 7.938 ( 3.115 8.039 1.934) 8.836 8.139 ( 3.858 12.815 0.049) 13.384 9.591 ( 2.510 -2.700 -4.457) 5.784 10.015 ( -8.784 -8.293 -13.722) 18.282 11.186 ( -7.291 -29.363 13.897) 33.294 14.128 ( -8.929 -3.577 -8.423) 12.786 ======================= Grid point 56 (42/417) ======================= q-point: ( 0.44 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.600 ( 8.351 3.668 1.185) 9.198 3.400 ( 7.688 14.800 0.015) 16.678 3.822 ( 2.581 20.093 -3.501) 20.558 4.543 ( 8.755 4.863 0.105) 10.016 4.805 ( -2.134 -1.783 -4.081) 4.938 5.748 ( 6.620 11.321 5.146) 14.088 8.011 ( 3.806 2.493 -1.381) 4.755 8.416 ( 2.330 21.947 2.674) 22.232 9.586 ( 0.301 -6.683 -10.185) 12.185 9.787 ( -4.716 -0.388 -3.552) 5.916 10.798 ( -10.510 -24.207 9.977) 28.213 13.934 ( -4.887 -5.417 -6.228) 9.593 ======================= Grid point 57 (43/417) ======================= q-point: ( 0.50 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.755 ( 7.016 0.158 -1.012) 7.090 3.634 ( 2.284 15.313 -1.926) 15.602 4.011 ( -0.896 16.018 -1.224) 16.090 4.660 ( -0.794 3.200 -7.443) 8.140 4.795 ( 3.085 1.724 5.954) 6.924 5.932 ( 5.101 2.377 3.557) 6.658 8.144 ( 9.503 1.531 -2.223) 9.879 8.637 ( -3.475 22.579 2.827) 23.019 9.398 ( -5.994 -6.586 -8.596) 12.377 9.772 ( -2.716 -1.161 1.912) 3.519 10.461 ( -8.242 -10.623 3.442) 13.879 13.820 ( 1.395 -8.114 -3.108) 8.800 ======================= Grid point 58 (44/417) ======================= q-point: ( 0.56 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.830 ( 3.623 -2.692 -3.253) 5.564 3.768 ( -3.946 15.441 -2.963) 16.210 4.113 ( -3.001 11.746 2.254) 12.331 4.628 ( -1.127 0.820 -4.106) 4.336 4.879 ( -1.540 5.634 2.408) 6.318 6.007 ( 3.704 -4.397 2.946) 6.460 8.311 ( 9.484 -3.046 -2.431) 10.253 8.762 ( -9.192 21.304 1.960) 23.285 9.273 ( 1.049 -2.938 -1.898) 3.652 9.629 ( -8.410 -3.127 2.098) 9.215 10.346 ( -3.126 2.250 -1.738) 4.226 13.793 ( 6.188 -9.813 -0.169) 11.602 ======================= Grid point 59 (45/417) ======================= q-point: (-0.38 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.805 ( -0.848 -4.238 -4.379) 6.153 3.775 ( -10.532 12.788 -2.716) 16.787 4.167 ( -5.856 11.232 5.103) 13.656 4.624 ( 2.582 -1.526 -3.766) 4.815 4.853 ( -7.109 4.179 0.478) 8.261 5.998 ( 0.500 -6.632 2.491) 7.102 8.331 ( 0.133 -8.934 -1.271) 9.024 8.743 ( -13.661 14.933 1.033) 20.265 9.394 ( 10.037 4.590 5.631) 12.390 9.561 ( 1.440 3.806 -2.363) 4.705 10.305 ( -3.611 2.113 -4.220) 5.943 13.831 ( 8.551 -8.730 2.064) 12.393 ======================= Grid point 60 (46/417) ======================= q-point: (-0.31 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.696 ( -4.963 -4.087 -3.797) 7.467 3.645 ( -15.255 7.760 -1.771) 17.207 4.135 ( -14.015 11.445 5.405) 18.885 4.614 ( -0.749 -6.114 -5.424) 8.207 4.798 ( 0.301 3.153 1.710) 3.600 5.896 ( -6.511 -5.424 1.693) 8.642 8.184 ( -5.161 -7.877 0.175) 9.419 8.613 ( -16.249 10.218 1.385) 19.245 9.671 ( 4.377 6.364 -4.347) 8.863 9.698 ( 14.217 4.289 10.195) 18.013 10.274 ( 4.240 -0.601 -8.304) 9.344 13.929 ( 9.709 -5.092 3.220) 11.427 ======================= Grid point 61 (47/417) ======================= q-point: (-0.25 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.535 ( -8.575 -2.531 -2.047) 9.172 3.398 ( -18.763 2.852 -0.839) 18.997 3.936 ( -20.318 6.738 2.589) 21.563 4.464 ( -6.984 -4.730 -2.051) 8.681 4.926 ( 9.129 1.440 0.482) 9.254 5.658 ( -16.781 -3.249 0.768) 17.110 8.038 ( -5.131 -3.166 0.437) 6.046 8.392 ( -18.241 4.872 0.983) 18.906 9.691 ( -2.249 -0.163 -1.731) 2.843 10.047 ( 15.087 4.569 9.053) 18.179 10.458 ( 20.625 -0.351 -9.533) 22.725 14.084 ( 10.538 -1.312 2.648) 10.944 ======================= Grid point 62 (48/417) ======================= q-point: (-0.19 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.337 ( -12.339 0.000 0.000) 12.339 3.048 ( -22.975 0.000 0.000) 22.975 3.628 ( -18.227 0.000 0.000) 18.227 4.274 ( -12.194 0.000 0.000) 12.194 5.106 ( 10.054 -0.000 -0.000) 10.054 5.254 ( -27.741 0.000 0.000) 27.741 7.900 ( -12.601 0.000 0.000) 12.601 8.147 ( -8.766 0.000 0.000) 8.766 9.654 ( -0.363 0.000 0.000) 0.363 10.342 ( 14.323 -0.000 -0.000) 14.323 10.869 ( 27.391 -0.000 -0.000) 27.391 14.270 ( 10.475 -0.000 -0.000) 10.475 ======================= Grid point 69 (49/417) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( 0.000 14.252 5.709) 15.353 2.340 ( -0.000 20.598 3.166) 20.840 3.151 ( -0.000 6.050 -1.918) 6.347 3.975 ( -0.000 19.817 1.175) 19.852 4.358 ( -0.000 34.343 -4.935) 34.696 5.385 ( 0.000 2.247 0.915) 2.427 7.396 ( -0.000 13.512 0.769) 13.534 8.200 ( 0.000 -4.518 1.993) 4.938 9.766 ( 0.000 -4.020 -0.745) 4.088 10.353 ( -0.000 -9.712 -21.838) 23.900 11.612 ( 0.000 -32.464 13.001) 34.971 14.490 ( -0.000 -0.922 -7.274) 7.332 ======================= Grid point 70 (50/417) ======================= q-point: ( 0.31 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.220 ( 2.053 10.579 3.518) 11.336 2.633 ( 9.829 17.486 2.429) 20.206 3.270 ( 6.977 7.773 -2.156) 10.665 4.162 ( 1.388 14.732 -1.819) 14.909 4.665 ( 3.472 21.228 -5.875) 22.298 5.445 ( -0.584 10.538 4.652) 11.534 7.614 ( 9.575 13.014 1.221) 16.203 8.164 ( -2.177 -0.127 1.027) 2.410 9.680 ( -5.528 -1.709 -2.022) 6.130 10.168 ( -0.162 -11.890 -19.827) 23.119 11.318 ( -1.499 -32.455 13.664) 35.246 14.413 ( -5.105 -1.316 -6.385) 8.281 ======================= Grid point 71 (51/417) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.370 ( 4.330 6.701 1.827) 8.185 3.002 ( 13.124 13.370 1.299) 18.780 3.538 ( 12.580 12.733 -2.372) 18.056 4.303 ( 2.880 8.057 -3.213) 9.140 4.825 ( 0.944 6.893 -4.863) 8.488 5.617 ( 1.198 17.705 6.175) 18.789 7.956 ( 9.812 11.545 2.712) 15.392 8.156 ( 2.270 5.857 -0.815) 6.334 9.560 ( -3.921 -2.046 -5.086) 6.740 9.987 ( -2.416 -8.044 -14.116) 16.425 11.004 ( -2.841 -31.704 12.884) 34.340 14.244 ( -9.778 -1.996 -6.105) 11.699 ======================= Grid point 72 (52/417) ======================= q-point: ( 0.44 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.515 ( 5.989 3.365 0.419) 6.882 3.348 ( 12.620 10.749 -0.129) 16.578 3.899 ( 10.328 17.312 -2.862) 20.361 4.423 ( 7.481 2.402 -3.261) 8.507 4.837 ( -2.573 1.983 -0.632) 3.310 5.828 ( 1.186 14.038 4.799) 14.883 8.035 ( -2.376 4.711 -0.758) 5.330 8.490 ( 13.760 16.164 3.339) 21.489 9.477 ( 0.377 -4.863 -8.476) 9.779 9.849 ( -3.810 0.306 -7.735) 8.627 10.677 ( -3.809 -29.107 10.529) 31.186 14.013 ( -10.992 -3.242 -5.456) 12.692 ======================= Grid point 73 (53/417) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.642 ( 6.203 0.663 -0.959) 6.312 3.655 ( 10.330 11.122 -1.644) 15.267 4.138 ( 1.088 11.555 -1.898) 11.761 4.627 ( 9.738 7.232 -6.943) 13.976 4.805 ( -1.024 0.641 6.227) 6.343 5.941 ( -1.105 5.086 3.505) 6.274 8.070 ( 2.026 4.273 -1.353) 4.919 8.834 ( 5.215 15.579 4.893) 17.142 9.386 ( -2.415 -4.763 -9.104) 10.555 9.828 ( -1.415 5.193 -2.679) 6.012 10.394 ( -1.134 -20.875 6.116) 21.782 13.788 ( -7.423 -5.518 -3.916) 10.044 ======================= Grid point 74 (54/417) ======================= q-point: ( 0.56 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.728 ( 4.587 -1.326 -2.224) 5.267 3.907 ( 5.140 13.329 -3.255) 14.652 4.213 ( 0.028 4.599 1.504) 4.839 4.644 ( -4.233 -1.641 -2.522) 5.194 4.997 ( 5.462 14.887 1.675) 15.945 5.924 ( -1.096 -5.321 3.014) 6.213 8.171 ( 5.393 2.136 -1.267) 5.938 9.031 ( 0.250 12.071 4.901) 13.030 9.250 ( -4.544 -3.191 -5.922) 8.118 9.779 ( -8.186 2.159 1.407) 8.583 10.325 ( 4.980 -4.420 -0.555) 6.682 13.639 ( -0.485 -7.724 -1.707) 7.925 ======================= Grid point 75 (55/417) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.755 ( 1.453 -2.240 -2.709) 3.804 4.048 ( -4.839 14.459 -4.107) 15.791 4.274 ( 1.809 2.765 5.031) 6.019 4.541 ( -0.496 -6.976 -1.375) 7.127 5.138 ( -9.911 17.392 -1.455) 20.071 5.867 ( 4.451 -11.129 2.872) 12.325 8.245 ( 2.331 -2.135 -0.927) 3.294 9.037 ( -8.917 4.461 -0.795) 10.002 9.270 ( 8.724 1.834 2.835) 9.355 9.686 ( -7.047 7.806 1.265) 10.592 10.348 ( -0.896 -0.620 -3.352) 3.525 13.613 ( 6.425 -7.266 0.307) 9.704 ======================= Grid point 76 (56/417) ======================= q-point: (-0.31 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.720 ( -2.150 -1.742 -1.866) 3.338 3.974 ( -14.368 7.114 -1.775) 16.130 4.353 ( 0.176 4.089 6.477) 7.662 4.506 ( 3.898 -5.324 -4.384) 7.922 5.001 ( -16.748 6.882 -1.023) 18.135 5.875 ( 3.517 -5.274 1.434) 6.499 8.197 ( -3.303 -3.462 -0.240) 4.791 8.916 ( -9.821 3.163 -0.040) 10.318 9.494 ( 12.906 0.929 2.412) 13.162 9.721 ( 0.429 9.757 1.286) 9.851 10.250 ( -5.327 -3.398 -3.954) 7.453 13.710 ( 10.395 -3.728 1.048) 11.093 ======================= Grid point 77 (57/417) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.640 ( -5.449 0.000 0.000) 5.449 3.724 ( -17.209 0.000 0.000) 17.209 4.304 ( -13.846 0.000 0.000) 13.846 4.496 ( -0.667 0.000 0.000) 0.667 4.843 ( -1.169 0.000 0.000) 1.169 5.839 ( -5.821 0.000 0.000) 5.821 8.103 ( -4.732 0.000 0.000) 4.732 8.721 ( -15.283 0.000 0.000) 15.283 9.684 ( 5.713 -0.000 -0.000) 5.713 9.877 ( 9.573 -0.000 -0.000) 9.573 10.182 ( 5.385 -0.000 -0.000) 5.385 13.887 ( 11.382 -0.000 -0.000) 11.382 ======================= Grid point 86 (58/417) ======================= q-point: ( 0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( -0.000 7.831 0.920) 7.884 2.710 ( -0.000 14.346 2.052) 14.492 3.265 ( -0.000 6.757 -2.082) 7.071 4.272 ( -0.000 10.933 -5.412) 12.199 4.796 ( -0.000 12.827 -3.451) 13.283 5.608 ( 0.000 17.212 5.667) 18.121 7.629 ( -0.000 8.826 -0.089) 8.827 8.209 ( -0.000 3.847 0.597) 3.893 9.744 ( -0.000 2.209 0.108) 2.211 9.947 ( -0.000 -14.924 -20.507) 25.362 11.051 ( 0.000 -32.303 12.959) 34.805 14.434 ( -0.000 -0.480 -4.569) 4.594 ======================= Grid point 87 (59/417) ======================= q-point: ( 0.38 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.380 ( 1.606 4.604 -0.683) 4.923 2.925 ( 8.948 10.383 1.028) 13.745 3.421 ( 10.405 8.526 -1.741) 13.565 4.334 ( 0.188 5.416 -7.043) 8.887 4.888 ( -0.506 7.542 -0.528) 7.578 5.810 ( 0.107 18.298 4.992) 18.967 7.825 ( 13.454 7.271 0.326) 15.296 8.231 ( -3.011 6.000 -1.462) 6.870 9.621 ( -7.615 -5.377 -8.245) 12.446 9.864 ( 3.935 -2.915 -8.274) 9.614 10.761 ( -1.241 -31.369 11.472) 33.424 14.362 ( -6.380 -0.382 -3.830) 7.452 ======================= Grid point 88 (60/417) ======================= q-point: ( 0.44 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.457 ( 3.857 2.071 -1.271) 4.558 3.206 ( 12.964 7.094 -0.125) 14.779 3.774 ( 18.225 11.448 -1.356) 21.565 4.351 ( 1.211 1.025 -6.154) 6.356 4.923 ( -2.866 4.717 1.579) 5.741 5.988 ( -0.702 14.313 3.722) 14.806 8.135 ( 1.936 6.553 0.181) 6.836 8.306 ( 15.739 7.604 -1.419) 17.537 9.436 ( -3.720 -5.227 -7.669) 9.998 9.876 ( -0.450 3.286 -5.171) 6.143 10.463 ( -1.995 -29.235 9.627) 30.844 14.183 ( -11.766 -0.923 -3.565) 12.329 ======================= Grid point 89 (61/417) ======================= q-point: ( 0.50 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.545 ( 5.234 0.416 -1.418) 5.439 3.510 ( 14.557 6.036 -0.913) 15.785 4.175 ( 8.947 10.626 -1.502) 13.972 4.423 ( 13.322 1.863 -4.432) 14.163 4.892 ( -5.200 1.646 3.299) 6.374 6.075 ( -4.068 8.087 2.691) 9.445 8.130 ( -3.398 5.041 -1.874) 6.362 8.761 ( 19.394 8.365 2.743) 21.299 9.346 ( -0.357 -0.880 -6.446) 6.516 9.888 ( -0.424 5.120 -4.993) 7.164 10.189 ( -1.002 -24.474 7.992) 25.766 13.930 ( -13.722 -2.141 -3.075) 14.225 ======================= Grid point 90 (62/417) ======================= q-point: ( 0.56 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.630 ( 5.007 -0.549 -1.436) 5.238 3.818 ( 14.080 6.070 -1.547) 15.410 4.255 ( -0.688 2.391 -0.445) 2.528 4.732 ( -1.736 5.773 -5.515) 8.170 4.894 ( 15.471 3.530 5.708) 16.864 6.012 ( -9.373 0.779 1.944) 9.604 8.146 ( 0.824 3.540 -1.095) 3.796 9.047 ( 6.433 2.939 3.067) 7.709 9.321 ( -4.432 2.429 -4.017) 6.456 9.931 ( -3.593 5.754 -1.965) 7.062 10.074 ( 12.553 -13.245 2.901) 18.478 13.673 ( -10.567 -3.574 -1.976) 11.329 ======================= Grid point 91 (63/417) ======================= q-point: ( 0.62 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.692 ( 3.312 -0.770 -1.115) 3.578 4.099 ( 11.474 6.715 -2.421) 13.513 4.264 ( 0.166 0.244 1.698) 1.724 4.584 ( -10.337 -2.467 -0.024) 10.628 5.310 ( 15.399 12.771 -0.676) 20.017 5.786 ( -12.430 -8.225 1.807) 15.014 8.201 ( 2.226 1.116 -0.407) 2.523 9.161 ( 5.695 0.609 1.969) 6.056 9.193 ( -8.350 -0.358 -1.805) 8.550 9.880 ( -6.153 4.584 1.369) 7.794 10.256 ( 10.386 -1.777 -1.531) 10.648 13.515 ( -2.323 -3.303 -0.560) 4.076 ======================= Grid point 92 (64/417) ======================= q-point: (-0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.721 ( 0.714 -0.000 -0.000) 0.714 4.228 ( -7.439 0.000 0.000) 7.439 4.333 ( 9.680 -0.000 -0.000) 9.680 4.399 ( -4.760 0.000 0.000) 4.760 5.392 ( -21.035 0.000 0.000) 21.035 5.689 ( 13.766 -0.000 -0.000) 13.766 8.220 ( -0.667 0.000 0.000) 0.667 9.057 ( -6.687 0.000 0.000) 6.687 9.301 ( 9.826 -0.000 -0.000) 9.826 9.816 ( -4.571 0.000 0.000) 4.571 10.311 ( -2.163 0.000 0.000) 2.163 13.537 ( 6.526 -0.000 -0.000) 6.526 ======================= Grid point 103 (65/417) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.394 ( -0.000 2.040 -2.906) 3.551 2.936 ( -0.000 7.510 0.811) 7.554 3.393 ( -0.000 6.970 -1.410) 7.112 4.345 ( -0.000 2.001 -7.606) 7.864 4.972 ( -0.000 7.120 1.501) 7.277 5.996 ( -0.000 15.634 3.536) 16.029 7.742 ( -0.000 3.209 -0.923) 3.339 8.323 ( -0.000 7.260 -3.264) 7.960 9.560 ( -0.000 -10.830 -12.312) 16.397 9.843 ( -0.000 6.562 0.860) 6.618 10.500 ( 0.000 -29.749 9.421) 31.205 14.411 ( -0.000 0.432 -2.468) 2.506 ======================= Grid point 104 (66/417) ======================= q-point: ( 0.44 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.410 ( 2.061 0.329 -3.121) 3.755 3.074 ( 8.229 4.698 0.055) 9.476 3.572 ( 13.066 6.905 -0.864) 14.804 4.331 ( -0.017 0.083 -5.917) 5.918 5.026 ( -2.010 5.356 1.959) 6.047 6.139 ( -0.359 11.309 2.243) 11.534 7.918 ( 17.111 2.552 -0.264) 17.303 8.339 ( -4.003 5.888 -5.025) 8.715 9.421 ( -2.565 -4.245 -6.368) 8.072 9.915 ( -0.041 5.601 -0.424) 5.617 10.236 ( -0.792 -26.511 7.375) 27.529 14.344 ( -7.382 0.403 -1.920) 7.639 ======================= Grid point 105 (67/417) ======================= q-point: ( 0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.457 ( 4.278 -0.238 -2.059) 4.753 3.303 ( 13.427 3.049 -0.393) 13.774 3.954 ( 22.243 6.690 -0.396) 23.230 4.313 ( 0.448 -0.726 -3.750) 3.846 5.015 ( -4.782 2.816 1.861) 5.853 6.217 ( -2.188 6.823 1.502) 7.322 8.240 ( -1.260 4.262 -0.920) 4.539 8.396 ( 23.502 2.477 -2.514) 23.766 9.359 ( -1.683 3.054 -3.316) 4.812 9.887 ( -2.857 -10.805 0.330) 11.181 10.051 ( -0.065 -7.637 3.701) 8.487 14.156 ( -13.406 -0.165 -1.617) 13.504 ======================= Grid point 106 (68/417) ======================= q-point: ( 0.56 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.534 ( 5.158 -0.259 -0.913) 5.244 3.585 ( 15.907 1.951 -0.444) 16.032 4.278 ( 0.204 1.438 -0.397) 1.506 4.468 ( 26.369 3.293 -1.883) 26.640 4.928 ( -7.679 0.202 1.702) 7.868 6.192 ( -7.105 2.546 0.872) 7.598 8.192 ( -3.269 2.003 -1.228) 4.025 8.862 ( 20.285 1.358 0.766) 20.344 9.413 ( -0.320 10.403 -2.729) 10.760 9.717 ( 5.774 -17.560 1.590) 18.553 10.030 ( -2.078 1.682 0.619) 2.744 13.887 ( -15.725 -0.726 -1.005) 15.774 ======================= Grid point 107 (69/417) ======================= q-point: (-0.38 -0.62 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.617 ( 4.650 -0.000 -0.000) 4.650 3.874 ( 15.815 -0.000 -0.000) 15.815 4.273 ( -0.530 0.000 0.000) 0.530 4.768 ( -10.559 0.000 0.000) 10.559 4.961 ( 26.536 -0.000 -0.000) 26.536 6.022 ( -13.690 0.000 0.000) 13.690 8.180 ( 0.636 -0.000 -0.000) 0.636 9.072 ( 6.141 -0.000 -0.000) 6.141 9.348 ( -9.436 0.000 0.000) 9.436 9.943 ( 22.248 -0.000 -0.000) 22.248 9.990 ( -3.933 0.000 0.000) 3.933 13.629 ( -12.043 0.000 0.000) 12.043 ======================= Grid point 121 (70/417) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.377 ( -0.000 -0.729 -3.395) 3.472 3.038 ( -0.000 2.828 0.047) 2.828 3.506 ( -0.000 4.487 -0.553) 4.521 4.311 ( -0.000 -0.419 -4.132) 4.153 5.099 ( 0.000 4.085 1.537) 4.365 6.239 ( -0.000 7.121 0.967) 7.187 7.767 ( -0.000 0.473 -0.839) 0.963 8.413 ( -0.000 4.092 -5.327) 6.717 9.408 ( -0.000 1.134 -3.012) 3.219 9.977 ( -0.000 5.267 0.759) 5.322 10.011 ( 0.000 -23.040 4.958) 23.568 14.412 ( -0.000 0.653 -1.019) 1.210 ======================= Grid point 122 (71/417) ======================= q-point: ( 0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.384 ( 2.703 -0.537 -1.769) 3.275 3.131 ( 8.135 1.313 -0.099) 8.241 3.667 ( 14.254 2.590 -0.226) 14.490 4.297 ( 0.006 -0.333 -1.983) 2.011 5.111 ( -2.672 1.941 0.864) 3.414 6.291 ( -0.317 3.378 0.425) 3.420 7.944 ( 19.534 0.539 -0.147) 19.542 8.383 ( -4.686 1.673 -3.309) 5.976 9.428 ( -1.189 6.067 -1.211) 6.300 9.795 ( -2.938 -15.979 2.528) 16.442 10.033 ( 1.116 2.098 0.482) 2.424 14.345 ( -7.950 0.301 -0.568) 7.976 ======================= Grid point 123 (72/417) ======================= q-point: (-0.44 -0.56 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.444 ( 4.620 -0.000 -0.000) 4.620 3.331 ( 13.686 -0.000 -0.000) 13.686 4.023 ( 24.178 -0.000 -0.000) 24.178 4.291 ( -0.233 0.000 0.000) 0.233 5.050 ( -5.513 0.000 0.000) 5.513 6.289 ( -2.474 0.000 0.000) 2.474 8.285 ( -6.033 0.000 0.000) 6.033 8.400 ( 30.002 -0.000 -0.000) 30.002 9.470 ( 1.634 -0.000 -0.000) 1.634 9.626 ( -5.896 0.000 0.000) 5.896 10.056 ( 0.057 -0.000 -0.000) 0.057 14.150 ( -14.049 0.000 0.000) 14.049 ======================= Grid point 140 (73/417) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 586 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.353 ( 0.000 0.000 0.000) 0.000 3.064 ( 0.000 0.000 0.000) 0.000 3.551 ( 0.000 0.000 0.000) 0.000 4.292 ( 0.000 0.000 0.000) 0.000 5.146 ( 0.000 0.000 0.000) 0.000 6.310 ( 0.000 0.000 0.000) 0.000 7.767 ( 0.000 0.000 0.000) 0.000 8.430 ( 0.000 0.000 0.000) 0.000 9.478 ( -0.000 0.000 0.000) 0.000 9.733 ( 0.000 -0.000 0.000) 0.000 10.036 ( 0.000 0.000 0.000) 0.000 14.417 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 280 (74/417) ======================= q-point: ( 0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.245 ( 0.000 -0.000 24.232) 24.232 0.245 ( 0.000 -0.000 24.232) 24.232 0.476 ( 0.000 -0.000 47.279) 47.279 2.866 ( -0.000 0.000 -1.264) 1.264 2.866 ( -0.000 0.000 -1.264) 1.264 6.484 ( -0.000 0.000 -4.887) 4.887 6.663 ( 0.000 -0.000 0.689) 0.689 6.663 ( 0.000 -0.000 0.689) 0.689 10.214 ( -0.000 0.000 -0.438) 0.438 10.214 ( -0.000 0.000 -0.438) 0.438 13.222 ( 0.000 -0.000 1.233) 1.233 13.692 ( -0.000 0.000 -0.578) 0.578 ======================= Grid point 281 (75/417) ======================= q-point: ( 0.12 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.696 ( 23.861 13.776 10.238) 29.393 0.717 ( 16.464 9.506 23.301) 30.073 1.276 ( 45.363 26.190 15.131) 54.522 2.876 ( 1.543 0.891 -2.172) 2.810 2.993 ( 10.314 5.955 -1.104) 11.961 5.542 ( -5.886 -3.398 5.263) 8.597 6.720 ( 4.542 2.622 1.100) 5.359 8.944 ( 16.044 9.263 -34.930) 39.539 10.143 ( 6.783 3.916 -20.976) 22.391 10.171 ( -3.538 -2.043 -0.452) 4.110 13.098 ( -10.962 -6.329 3.864) 13.235 14.424 ( 19.293 11.139 -32.995) 39.812 ======================= Grid point 282 (76/417) ======================= q-point: ( 0.19 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( 18.150 10.479 14.918) 25.725 1.290 ( 24.605 14.206 6.277) 29.097 2.373 ( 44.865 25.903 8.635) 52.520 2.921 ( 3.072 1.773 -2.955) 4.616 3.318 ( 17.645 10.187 -0.873) 20.393 5.463 ( -2.796 -1.614 -1.902) 3.747 6.876 ( 8.483 4.897 1.180) 9.866 8.760 ( -16.338 -9.433 0.139) 18.866 10.057 ( -5.895 -3.403 -0.393) 6.818 10.325 ( 11.919 6.882 -27.216) 30.498 12.787 ( -17.038 -9.837 9.362) 21.788 14.541 ( 1.303 0.752 -18.155) 18.217 ======================= Grid point 283 (77/417) ======================= q-point: ( 0.25 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( 18.469 10.663 8.632) 23.007 1.860 ( 22.832 13.182 4.864) 26.809 2.995 ( 4.135 2.387 -3.582) 5.968 3.346 ( 34.895 20.147 6.843) 40.870 3.804 ( 25.732 14.856 -1.820) 29.768 5.378 ( -3.792 -2.189 -3.900) 5.864 7.110 ( 11.096 6.407 0.836) 12.840 8.381 ( -14.962 -8.638 0.955) 17.303 9.914 ( -6.001 -3.465 -0.200) 6.933 10.425 ( 3.036 1.753 -21.837) 22.117 12.399 ( -19.967 -11.528 16.029) 28.081 14.425 ( -5.411 -3.124 -16.191) 17.354 ======================= Grid point 284 (78/417) ======================= q-point: ( 0.31 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.088 ( 17.585 10.153 4.533) 20.805 2.366 ( 19.405 11.203 4.285) 22.813 3.085 ( 4.697 2.712 -4.065) 6.778 3.978 ( 20.003 11.549 5.202) 23.676 4.491 ( 31.131 17.973 -4.723) 36.256 5.267 ( -4.451 -2.570 -1.771) 5.436 7.374 ( 11.113 6.416 0.176) 12.833 8.120 ( -6.967 -4.022 -1.127) 8.123 9.800 ( -3.384 -1.954 0.149) 3.911 10.309 ( -6.998 -4.040 -18.497) 20.185 11.963 ( -23.498 -13.567 19.543) 33.439 14.234 ( -5.484 -3.166 -15.180) 16.448 ======================= Grid point 285 (79/417) ======================= q-point: ( 0.38 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.483 ( 15.453 8.922 1.874) 17.942 2.774 ( 14.424 8.328 4.020) 17.134 3.183 ( 5.055 2.918 -4.336) 7.271 4.381 ( 14.049 8.111 3.530) 16.602 4.935 ( 3.433 1.982 -14.854) 15.374 5.329 ( 14.863 8.581 8.931) 19.347 7.601 ( 8.214 4.742 -0.522) 9.499 8.069 ( 3.247 1.875 -2.832) 4.699 9.772 ( 0.942 0.544 0.559) 1.223 10.014 ( -12.584 -7.265 -15.093) 20.951 11.415 ( -29.264 -16.896 16.250) 37.496 14.111 ( -1.005 -0.580 -10.589) 10.653 ======================= Grid point 286 (80/417) ======================= q-point: ( 0.44 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.806 ( 12.056 6.961 -0.379) 13.926 3.046 ( 7.876 4.547 2.921) 9.552 3.294 ( 5.746 3.318 -3.439) 7.474 4.633 ( 5.693 3.287 -1.717) 6.794 4.845 ( -2.203 -1.272 -4.708) 5.352 5.741 ( 14.935 8.622 4.097) 17.725 7.743 ( 4.391 2.535 -0.914) 5.152 8.243 ( 12.264 7.081 -3.966) 14.706 9.677 ( -11.842 -6.837 -10.354) 17.151 9.837 ( 3.916 2.261 0.809) 4.593 10.735 ( -32.478 -18.751 10.002) 38.813 14.108 ( 2.388 1.379 -4.820) 5.554 ======================= Grid point 287 (81/417) ======================= q-point: ( 0.50 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.023 ( 6.874 3.969 -3.175) 8.549 3.167 ( 2.654 1.532 0.368) 3.087 3.411 ( 4.390 2.535 -0.868) 5.143 4.602 ( -2.876 -1.661 -5.349) 6.296 4.900 ( 3.549 2.049 2.203) 4.653 6.011 ( 7.497 4.329 2.482) 9.006 7.809 ( 1.779 1.027 -0.868) 2.229 8.581 ( 17.404 10.048 -5.105) 20.735 9.437 ( -6.071 -3.505 -4.652) 8.414 9.929 ( 3.210 1.853 0.788) 3.789 10.033 ( -29.090 -16.795 5.626) 34.059 14.161 ( 2.513 1.451 -0.742) 2.995 ======================= Grid point 288 (82/417) ======================= q-point: (-0.44 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.086 ( -0.272 -0.157 -6.163) 6.171 3.189 ( -0.405 -0.234 -1.237) 1.322 3.471 ( 0.546 0.315 0.892) 1.093 4.576 ( 2.181 1.259 -1.032) 2.722 4.940 ( -0.944 -0.545 0.916) 1.424 6.103 ( -0.303 -0.175 2.242) 2.270 7.829 ( 0.292 0.168 -0.495) 0.599 8.892 ( 3.962 2.287 -4.348) 6.312 9.385 ( 2.218 1.281 0.936) 2.727 9.569 ( -4.943 -2.854 1.322) 5.858 9.969 ( -0.237 -0.137 0.538) 0.604 14.203 ( 0.831 0.480 1.922) 2.149 ======================= Grid point 289 (83/417) ======================= q-point: (-0.38 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.977 ( -6.789 -3.920 -7.328) 10.731 3.138 ( -3.750 -2.165 -2.182) 4.848 3.444 ( -3.048 -1.760 2.065) 4.081 4.693 ( 7.264 4.194 2.224) 8.677 4.859 ( -5.938 -3.428 -0.912) 6.917 6.009 ( -8.534 -4.927 2.416) 10.146 7.818 ( -1.300 -0.750 0.033) 1.501 8.652 ( -16.372 -9.452 1.646) 18.976 9.551 ( 10.669 6.160 6.338) 13.854 9.883 ( 24.911 14.382 -8.844) 30.093 9.922 ( -3.629 -2.095 0.117) 4.192 14.217 ( -0.297 -0.171 4.464) 4.477 ======================= Grid point 290 (84/417) ======================= q-point: (-0.31 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.741 ( -11.370 -6.564 -6.381) 14.597 2.989 ( -8.731 -5.041 -2.574) 10.405 3.358 ( -4.752 -2.743 2.712) 6.120 4.654 ( -11.132 -6.427 0.428) 12.861 4.907 ( 9.694 5.597 0.356) 11.199 5.720 ( -17.312 -9.995 2.624) 20.162 7.758 ( -4.246 -2.451 0.510) 4.929 8.316 ( -12.332 -7.120 3.088) 14.571 9.824 ( -4.131 -2.385 -0.370) 4.784 9.893 ( 15.683 9.055 10.615) 20.991 10.470 ( 28.008 16.170 -15.619) 35.915 14.239 ( 0.912 0.526 7.411) 7.486 ======================= Grid point 291 (85/417) ======================= q-point: (-0.25 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.416 ( -15.063 -8.697 -4.403) 17.942 2.711 ( -14.550 -8.401 -2.157) 16.939 3.253 ( -4.966 -2.867 2.568) 6.284 4.344 ( -15.589 -9.000 -0.361) 18.004 5.105 ( 2.369 1.368 -7.743) 8.212 5.243 ( -20.132 -11.623 10.095) 25.344 7.614 ( -8.541 -4.931 0.664) 9.884 8.130 ( -4.244 -2.450 2.941) 5.715 9.759 ( -0.830 -0.479 -0.694) 1.184 10.299 ( 14.980 8.649 12.092) 21.105 11.044 ( 26.637 15.379 -18.995) 36.150 14.324 ( 4.100 2.367 9.435) 10.556 ======================= Grid point 292 (86/417) ======================= q-point: (-0.19 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( -18.324 -10.579 -2.153) 21.268 2.309 ( -19.568 -11.298 -1.303) 22.633 3.147 ( -4.837 -2.793 2.052) 5.950 3.923 ( -21.342 -12.322 -0.131) 24.644 4.508 ( -32.435 -18.726 -2.611) 37.544 5.319 ( 5.672 3.275 3.013) 7.209 7.376 ( -11.709 -6.760 0.403) 13.527 8.149 ( 5.211 3.008 1.574) 6.219 9.791 ( 3.699 2.136 -0.710) 4.330 10.612 ( 8.175 4.720 9.253) 13.219 11.590 ( 25.881 14.942 -14.972) 33.425 14.479 ( 6.236 3.600 8.253) 10.953 ======================= Grid point 293 (87/417) ======================= q-point: (-0.12 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( -20.868 -12.048 0.331) 24.098 1.808 ( -23.292 -13.448 -0.104) 26.895 3.046 ( -4.379 -2.528 1.394) 5.245 3.278 ( -36.389 -21.009 0.547) 42.021 3.798 ( -25.528 -14.738 -2.410) 29.575 5.427 ( 3.143 1.815 0.784) 3.713 7.101 ( -11.594 -6.694 0.037) 13.388 8.369 ( 13.202 7.622 -0.372) 15.249 9.910 ( 6.305 3.640 -0.566) 7.302 10.725 ( -0.371 -0.214 5.261) 5.278 12.143 ( 24.879 14.364 -7.140) 29.602 14.636 ( 4.943 2.854 3.574) 6.734 ======================= Grid point 294 (88/417) ======================= q-point: (-0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( -22.199 -12.817 4.603) 26.044 1.243 ( -25.597 -14.778 1.863) 29.615 2.296 ( -46.770 -27.003 1.517) 54.027 2.958 ( -3.426 -1.978 0.602) 4.002 3.309 ( -17.141 -9.896 -1.781) 19.872 5.477 ( 1.356 0.783 -0.344) 1.603 6.863 ( -8.664 -5.002 -0.069) 10.004 8.730 ( 17.712 10.226 -2.855) 20.650 10.057 ( 6.104 3.524 -0.450) 7.063 10.639 ( -7.845 -4.529 0.362) 9.066 12.668 ( 21.027 12.140 -1.024) 24.301 14.710 ( 1.241 0.717 -4.181) 4.420 ======================= Grid point 297 (89/417) ======================= q-point: ( 0.12 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( 0.000 25.921 12.762) 28.893 0.812 ( 0.000 19.237 24.142) 30.869 1.315 ( 0.000 48.902 18.398) 52.249 2.886 ( -0.000 2.540 -1.602) 3.003 2.968 ( -0.000 10.986 -2.590) 11.287 5.555 ( 0.000 -9.418 5.241) 10.779 6.716 ( -0.000 4.993 0.860) 5.067 8.752 ( -0.000 27.578 -39.256) 47.975 10.166 ( 0.000 -4.294 -0.791) 4.367 10.198 ( -0.000 11.611 -16.655) 20.303 13.099 ( 0.000 -13.866 3.966) 14.423 14.295 ( -0.000 24.793 -30.977) 39.677 ======================= Grid point 298 (90/417) ======================= q-point: ( 0.19 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( 8.465 17.182 19.873) 27.601 1.186 ( 13.212 24.570 9.193) 29.373 2.115 ( 26.265 44.135 11.169) 52.560 2.914 ( 0.679 4.202 -2.553) 4.963 3.185 ( 10.316 14.062 -2.188) 17.577 5.476 ( -1.938 -3.515 -1.235) 4.199 6.828 ( 4.914 7.565 1.215) 9.102 8.793 ( -1.140 -11.131 -6.641) 13.012 10.042 ( -4.281 -4.730 -4.932) 8.064 10.287 ( 0.813 15.953 -21.845) 27.062 12.884 ( -7.343 -18.182 7.533) 21.006 14.452 ( 4.640 7.613 -21.661) 23.424 ======================= Grid point 299 (91/417) ======================= q-point: ( 0.25 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( 11.939 15.001 13.219) 23.288 1.718 ( 16.801 22.529 6.552) 28.857 2.977 ( 1.864 5.905 -3.456) 7.092 3.055 ( 30.471 34.187 8.050) 46.498 3.572 ( 17.872 16.063 -2.473) 24.156 5.399 ( -2.754 -2.498 -3.964) 5.435 7.037 ( 7.963 10.448 1.371) 13.208 8.519 ( -11.611 -13.681 1.195) 17.984 9.910 ( -2.219 -7.906 -2.958) 8.728 10.366 ( 0.688 9.320 -22.008) 23.910 12.562 ( -11.313 -19.848 13.266) 26.418 14.432 ( -3.312 0.289 -17.511) 17.824 ======================= Grid point 300 (92/417) ======================= q-point: ( 0.31 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( 13.804 12.646 7.456) 20.151 2.239 ( 15.854 20.382 5.262) 26.353 3.068 ( 2.199 7.600 -4.147) 8.933 3.791 ( 19.856 17.838 6.777) 27.539 4.154 ( 28.180 22.150 -4.764) 36.158 5.304 ( -3.642 -2.215 -3.187) 5.323 7.307 ( 8.690 12.911 1.154) 15.606 8.211 ( -9.996 -8.032 -0.021) 12.823 9.795 ( -1.197 -6.711 -1.428) 6.965 10.313 ( -4.409 -0.604 -19.279) 19.786 12.188 ( -14.743 -20.786 17.880) 31.131 14.265 ( -7.090 -1.769 -16.298) 17.862 ======================= Grid point 301 (93/417) ======================= q-point: ( 0.38 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.317 ( 14.186 9.600 3.443) 17.471 2.695 ( 12.319 17.913 4.373) 22.176 3.175 ( 1.973 9.465 -4.652) 10.729 4.235 ( 14.630 10.225 4.938) 18.519 4.760 ( 17.497 11.839 -12.784) 24.693 5.271 ( 3.348 4.192 5.712) 7.837 7.580 ( 6.111 14.201 0.624) 15.472 8.047 ( -2.043 -2.145 -1.922) 3.532 9.741 ( 1.454 -3.299 -0.585) 3.652 10.083 ( -9.994 -6.835 -16.202) 20.226 11.727 ( -21.410 -21.788 16.814) 34.869 14.096 ( -3.678 -1.473 -12.669) 13.274 ======================= Grid point 302 (94/417) ======================= q-point: ( 0.44 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.640 ( 12.990 5.956 0.393) 14.296 3.036 ( 6.508 14.157 2.985) 15.864 3.300 ( 1.870 12.238 -4.200) 13.073 4.542 ( 9.534 5.474 1.897) 11.156 4.838 ( -1.150 -1.546 -10.317) 10.495 5.594 ( 14.889 11.301 6.517) 19.795 7.789 ( 1.030 14.515 -0.058) 14.552 8.092 ( 8.098 2.159 -3.276) 8.999 9.753 ( -6.053 -6.787 -10.939) 14.226 9.788 ( -0.921 -1.686 -0.851) 2.102 11.119 ( -28.696 -20.652 10.826) 36.975 14.040 ( 2.319 -1.492 -6.582) 7.137 ======================= Grid point 303 (95/417) ======================= q-point: ( 0.50 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.876 ( 9.861 1.689 -2.678) 10.357 3.221 ( 0.530 10.882 -0.280) 10.898 3.452 ( 0.712 13.975 -1.385) 14.062 4.612 ( -1.888 -0.950 -6.633) 6.961 4.849 ( 4.618 1.177 2.121) 5.216 5.922 ( 9.946 6.529 3.928) 12.529 7.908 ( -3.645 14.452 -0.561) 14.915 8.331 ( 16.352 4.052 -4.362) 17.402 9.485 ( -7.377 -6.301 -7.018) 11.974 9.856 ( 3.318 -1.841 1.655) 4.140 10.447 ( -29.640 -13.210 4.948) 32.826 14.079 ( 5.333 -2.657 -1.634) 6.178 ======================= Grid point 304 (96/417) ======================= q-point: ( 0.56 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.984 ( 4.657 -2.785 -5.792) 7.937 3.294 ( -3.433 9.930 -2.512) 10.802 3.565 ( -3.184 12.301 0.784) 12.730 4.559 ( -0.125 0.614 -3.798) 3.849 4.925 ( 2.021 -1.165 2.302) 3.277 6.091 ( 3.433 1.525 3.141) 4.897 7.959 ( -6.536 14.242 -0.585) 15.681 8.659 ( 17.908 0.460 -5.623) 18.776 9.362 ( -0.009 -1.955 -1.107) 2.247 9.699 ( -13.496 -12.713 3.482) 18.865 10.075 ( -8.130 6.616 0.088) 10.482 14.138 ( 5.070 -4.138 1.394) 6.691 ======================= Grid point 305 (97/417) ======================= q-point: (-0.38 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.946 ( -1.064 -6.205 -7.696) 9.943 3.281 ( -7.448 8.182 -3.205) 11.519 3.589 ( -7.529 10.131 1.977) 12.776 4.617 ( 5.506 3.245 -1.380) 6.538 4.898 ( -2.783 -4.218 1.453) 5.258 6.090 ( -4.028 -2.964 3.190) 5.932 7.965 ( -8.362 12.905 -0.254) 15.380 8.729 ( -3.816 -13.176 -1.675) 13.820 9.438 ( 8.249 2.573 3.200) 9.215 9.602 ( 11.065 3.977 -2.022) 11.931 10.050 ( -4.543 7.462 -1.248) 8.825 14.177 ( 3.746 -4.804 3.616) 7.084 ======================= Grid point 306 (98/417) ======================= q-point: (-0.31 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.784 ( -6.123 -7.970 -7.444) 12.507 3.176 ( -11.611 5.639 -2.953) 13.242 3.524 ( -10.673 7.667 2.560) 13.389 4.746 ( -4.387 -4.973 -4.559) 8.047 4.797 ( 6.102 2.812 4.254) 7.953 5.909 ( -12.585 -6.952 3.509) 14.800 7.921 ( -10.094 9.784 0.237) 14.060 8.438 ( -10.893 -11.826 2.050) 16.209 9.699 ( 13.663 2.677 3.585) 14.377 9.835 ( 6.391 0.070 2.965) 7.046 10.186 ( 14.686 15.861 -10.954) 24.233 14.209 ( 3.588 -3.720 5.825) 7.787 ======================= Grid point 307 (99/417) ======================= q-point: (-0.25 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.534 ( -10.672 -8.351 -5.455) 14.608 2.960 ( -17.122 2.286 -2.228) 17.417 3.406 ( -10.869 5.109 2.463) 12.260 4.504 ( -12.315 -8.047 -0.628) 14.724 5.001 ( 9.248 4.231 -2.430) 10.456 5.536 ( -21.607 -10.610 5.079) 24.601 7.800 ( -12.772 4.938 0.633) 13.707 8.196 ( -6.782 -6.102 2.887) 9.569 9.745 ( -0.312 -4.028 -1.487) 4.305 10.143 ( 16.385 7.972 10.743) 21.153 10.663 ( 25.581 12.932 -16.535) 33.091 14.282 ( 5.281 -1.031 7.358) 9.116 ======================= Grid point 308 (100/417) ======================= q-point: (-0.19 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.213 ( -15.324 -7.868 -2.642) 17.427 2.614 ( -22.496 -1.245 -1.072) 22.555 3.275 ( -9.505 2.868 1.750) 10.082 4.162 ( -17.521 -8.542 0.059) 19.492 4.890 ( -28.353 -10.520 -6.184) 30.868 5.255 ( 4.548 0.246 6.644) 8.056 7.581 ( -15.462 0.287 0.708) 15.481 8.117 ( 0.738 -0.413 2.148) 2.308 9.726 ( 2.897 -1.969 -1.183) 3.697 10.502 ( 12.823 4.703 6.255) 15.023 11.197 ( 28.101 10.941 -12.619) 32.690 14.418 ( 7.079 1.385 6.379) 9.629 ======================= Grid point 309 (101/417) ======================= q-point: (-0.12 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( -19.918 -6.779 0.584) 21.048 2.161 ( -26.369 -3.668 0.298) 26.624 3.148 ( -7.921 1.014 0.857) 8.031 3.703 ( -27.408 -9.142 1.487) 28.931 4.175 ( -34.536 -11.622 -3.029) 36.565 5.374 ( 5.010 1.015 0.953) 5.200 7.296 ( -15.844 -2.086 0.496) 15.988 8.227 ( 9.309 3.522 0.695) 9.978 9.799 ( 6.966 -0.651 -0.894) 7.054 10.698 ( 5.372 0.621 0.029) 5.408 11.770 ( 28.872 9.775 -4.269) 30.779 14.572 ( 6.531 1.652 2.084) 7.052 ======================= Grid point 310 (102/417) ======================= q-point: (-0.06 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( -23.354 -4.941 4.823) 24.353 1.644 ( -28.966 -3.866 2.144) 29.302 2.961 ( -46.775 -9.618 2.911) 47.842 3.030 ( -6.097 -0.321 -0.152) 6.107 3.579 ( -23.457 -4.952 -2.196) 24.075 5.446 ( 2.729 0.326 -0.872) 2.884 7.020 ( -13.266 -1.795 0.388) 13.392 8.497 ( 16.379 4.601 -0.561) 17.022 9.931 ( 8.652 -0.394 -0.756) 8.694 10.701 ( -3.089 -2.272 -5.669) 6.844 12.341 ( 26.859 7.054 1.991) 27.841 14.667 ( 3.269 0.319 -4.751) 5.776 ======================= Grid point 314 (103/417) ======================= q-point: ( 0.19 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( 0.000 18.202 19.830) 26.917 1.353 ( 0.000 26.284 8.416) 27.598 2.426 ( -0.000 51.008 10.482) 52.074 2.943 ( -0.000 4.338 -2.086) 4.813 3.251 ( -0.000 18.667 -3.675) 19.025 5.450 ( -0.000 -3.365 -2.488) 4.185 6.874 ( -0.000 10.014 1.091) 10.073 8.656 ( -0.000 -12.243 -3.995) 12.878 10.041 ( 0.000 -7.179 -1.036) 7.253 10.358 ( -0.000 14.177 -24.251) 28.091 12.754 ( 0.000 -23.877 8.434) 25.323 14.429 ( -0.000 8.578 -19.633) 21.425 ======================= Grid point 315 (104/417) ======================= q-point: ( 0.25 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( 4.691 16.709 15.475) 23.252 1.740 ( 10.809 24.697 6.958) 27.842 3.000 ( 1.736 6.018 -2.794) 6.858 3.086 ( 14.324 44.374 8.504) 47.398 3.509 ( 8.453 20.092 -4.348) 22.227 5.398 ( -1.467 -2.352 -3.930) 4.809 7.039 ( 5.478 12.489 1.451) 13.715 8.496 ( -2.985 -14.764 0.846) 15.086 9.897 ( -5.740 -6.767 -2.982) 9.361 10.390 ( -0.531 7.439 -21.944) 23.177 12.497 ( -3.901 -26.327 11.934) 29.168 14.431 ( -1.260 3.491 -16.832) 17.236 ======================= Grid point 316 (105/417) ======================= q-point: ( 0.31 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.921 ( 7.793 14.008 10.116) 18.955 2.224 ( 14.048 22.993 5.904) 27.584 3.104 ( 2.701 8.969 -3.753) 10.091 3.727 ( 13.197 23.069 7.181) 27.530 3.961 ( 19.856 28.304 -6.095) 35.107 5.330 ( -2.580 -1.196 -3.183) 4.268 7.312 ( 8.544 15.647 2.067) 17.947 8.274 ( -7.209 -10.553 0.891) 12.812 9.739 ( -2.722 -6.682 -3.591) 8.060 10.322 ( -3.792 -0.542 -18.893) 19.277 12.183 ( -6.667 -27.271 15.633) 32.134 14.325 ( -6.497 0.163 -15.407) 16.722 ======================= Grid point 317 (106/417) ======================= q-point: ( 0.38 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.225 ( 9.837 10.571 5.579) 15.481 2.699 ( 12.562 20.865 4.940) 24.851 3.243 ( 2.341 12.867 -4.651) 13.881 4.125 ( 12.377 12.065 4.506) 17.862 4.554 ( 18.035 19.381 -9.734) 28.207 5.300 ( 0.042 4.149 2.767) 4.987 7.638 ( 7.700 18.313 2.550) 20.029 8.082 ( -5.517 -3.856 -0.979) 6.802 9.657 ( 1.629 -5.252 -3.326) 6.427 10.123 ( -8.082 -6.277 -15.862) 18.876 11.814 ( -11.024 -27.608 16.224) 33.866 14.139 ( -7.650 -1.075 -13.265) 15.351 ======================= Grid point 318 (107/417) ======================= q-point: ( 0.44 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.502 ( 10.463 6.721 1.925) 12.584 3.087 ( 7.972 17.166 3.249) 19.204 3.414 ( 1.662 17.713 -4.456) 18.340 4.435 ( 10.559 6.741 2.670) 12.809 4.785 ( 2.727 1.907 -11.531) 12.002 5.514 ( 10.530 12.923 7.330) 18.211 7.925 ( 4.363 14.017 2.123) 14.833 8.034 ( -0.123 7.139 -2.180) 7.466 9.661 ( 4.155 -3.838 -5.411) 7.828 9.846 ( -9.270 -6.500 -9.394) 14.711 11.340 ( -18.310 -25.685 11.977) 33.741 13.989 ( -2.638 -2.466 -8.683) 9.404 ======================= Grid point 319 (108/417) ======================= q-point: ( 0.50 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.724 ( 9.233 2.751 -1.539) 9.756 3.331 ( 1.963 14.275 -0.211) 14.411 3.620 ( 0.428 20.367 -1.674) 20.440 4.594 ( 2.022 1.191 -5.826) 6.281 4.795 ( 2.915 0.955 0.636) 3.132 5.835 ( 9.936 8.275 5.105) 13.902 8.105 ( 10.704 1.949 -2.437) 11.150 8.175 ( -4.141 22.249 0.799) 22.645 9.515 ( -6.983 -7.888 -10.000) 14.525 9.791 ( 3.477 -0.157 1.353) 3.734 10.773 ( -23.126 -18.487 5.612) 30.134 13.944 ( 3.623 -4.991 -3.544) 7.113 ======================= Grid point 320 (109/417) ======================= q-point: ( 0.56 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.855 ( 5.843 -1.005 -4.930) 7.711 3.460 ( -2.500 13.934 -2.658) 14.404 3.793 ( -3.397 18.779 1.071) 19.114 4.565 ( -1.374 1.237 -6.411) 6.672 4.876 ( 3.130 -0.617 3.762) 4.933 6.039 ( 5.817 2.055 3.970) 7.336 8.283 ( -5.009 18.183 -1.777) 18.944 8.353 ( 11.778 4.871 -1.396) 12.821 9.340 ( -2.116 -4.508 -3.831) 6.282 9.768 ( -5.840 -7.815 3.153) 10.253 10.319 ( -14.603 -1.581 -0.406) 14.694 13.971 ( 6.876 -7.459 0.095) 10.145 ======================= Grid point 321 (110/417) ======================= q-point: (-0.38 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.869 ( 1.058 -3.913 -7.115) 8.189 3.503 ( -6.999 12.738 -3.686) 14.994 3.881 ( -7.914 16.978 2.910) 18.956 4.571 ( 2.008 2.874 -4.374) 5.606 4.888 ( -0.532 -3.762 2.775) 4.705 6.105 ( 0.569 -2.655 3.685) 4.577 8.322 ( -11.257 18.938 -0.963) 22.052 8.547 ( 8.189 -5.652 -2.086) 10.166 9.351 ( 5.785 0.900 2.038) 6.199 9.556 ( -4.659 -3.674 0.893) 6.000 10.202 ( -5.392 6.142 -2.671) 8.598 14.020 ( 7.347 -8.513 2.395) 11.497 ======================= Grid point 322 (111/417) ======================= q-point: (-0.31 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.775 ( -3.539 -5.359 -7.087) 9.564 3.446 ( -11.354 10.188 -3.482) 15.648 3.871 ( -13.310 15.138 3.357) 20.435 4.655 ( 5.705 1.465 -5.847) 8.299 4.813 ( -3.108 -4.666 4.094) 6.942 6.026 ( -6.425 -5.686 3.694) 9.341 8.264 ( -12.832 11.572 -0.848) 17.300 8.471 ( -6.425 -7.516 1.673) 10.028 9.530 ( 9.653 4.964 1.202) 10.921 9.664 ( 13.308 3.110 1.681) 13.769 10.182 ( -1.222 6.364 -5.941) 8.792 14.075 ( 7.201 -7.385 4.010) 11.067 ======================= Grid point 323 (112/417) ======================= q-point: (-0.25 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.603 ( -7.532 -5.322 -5.204) 10.590 3.287 ( -15.746 6.734 -2.643) 17.329 3.748 ( -17.021 11.545 2.835) 20.761 4.589 ( -6.661 -7.375 -2.982) 10.376 4.875 ( 8.299 3.035 0.136) 8.838 5.786 ( -15.317 -7.552 4.008) 17.542 8.107 ( -12.481 2.453 0.168) 12.721 8.286 ( -10.543 0.050 2.786) 10.905 9.682 ( 3.195 -0.767 -3.977) 5.158 9.979 ( 14.873 5.762 11.147) 19.459 10.344 ( 16.559 7.955 -13.031) 22.523 14.160 ( 7.957 -4.442 4.690) 10.249 ======================= Grid point 324 (113/417) ======================= q-point: (-0.19 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.376 ( -11.582 -4.198 -2.382) 12.548 3.010 ( -21.277 3.173 -1.256) 21.549 3.553 ( -16.208 6.669 1.527) 17.592 4.345 ( -12.245 -6.513 -0.646) 13.884 5.041 ( 5.171 2.997 -6.897) 9.126 5.382 ( -21.650 -8.591 7.752) 24.549 7.892 ( -15.802 2.118 1.029) 15.976 8.142 ( -5.437 -0.573 1.829) 5.765 9.666 ( 0.466 -2.016 -2.329) 3.116 10.317 ( 14.566 3.351 2.856) 15.217 10.778 ( 26.683 7.776 -6.767) 28.605 14.293 ( 9.078 -1.636 3.312) 9.801 ======================= Grid point 325 (114/417) ======================= q-point: (-0.12 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.101 ( -16.145 -2.339 0.672) 16.328 2.612 ( -26.149 0.604 0.446) 26.160 3.345 ( -12.784 2.037 -0.050) 12.946 4.033 ( -18.118 -3.761 0.994) 18.530 4.700 ( -33.984 -3.866 -4.231) 34.464 5.280 ( 6.237 -0.885 2.707) 6.856 7.600 ( -19.075 0.404 1.073) 19.109 8.130 ( 3.853 0.098 0.521) 3.890 9.684 ( 4.188 -0.761 -1.382) 4.475 10.549 ( 10.846 -0.293 -5.519) 12.173 11.339 ( 29.441 6.842 2.665) 30.343 14.445 ( 8.814 -0.988 -0.674) 8.894 ======================= Grid point 326 (115/417) ======================= q-point: (-0.06 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( -20.560 0.147 3.807) 20.910 2.140 ( -28.622 0.170 2.239) 28.710 3.156 ( -9.244 -0.817 -1.376) 9.381 3.617 ( -30.309 -0.258 3.103) 30.468 4.047 ( -34.594 1.315 -2.222) 34.691 5.376 ( 4.903 -0.637 -1.258) 5.102 7.281 ( -17.313 -0.168 0.855) 17.334 8.269 ( 11.718 -0.295 -0.018) 11.722 9.782 ( 7.434 0.458 -0.999) 7.515 10.644 ( 4.259 -2.082 -10.401) 11.430 11.923 ( 28.865 3.794 8.397) 30.300 14.554 ( 6.584 -2.181 -6.363) 9.412 ======================= Grid point 331 (116/417) ======================= q-point: ( 0.25 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( 0.000 15.622 14.049) 21.010 1.905 ( -0.000 23.868 5.901) 24.586 3.027 ( -0.000 5.500 -2.694) 6.125 3.448 ( -0.000 41.681 9.004) 42.642 3.646 ( -0.000 25.373 -6.998) 26.320 5.378 ( -0.000 -1.341 -3.790) 4.020 7.121 ( -0.000 13.533 1.161) 13.583 8.384 ( 0.000 -12.461 2.050) 12.629 9.883 ( 0.000 -7.348 -1.018) 7.419 10.364 ( -0.000 1.950 -24.064) 24.143 12.285 ( 0.000 -29.621 13.158) 32.412 14.430 ( -0.000 3.648 -14.834) 15.276 ======================= Grid point 332 (117/417) ======================= q-point: ( 0.31 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( 2.922 13.093 10.380) 16.962 2.249 ( 10.203 21.755 5.109) 24.566 3.112 ( 3.894 7.091 -3.194) 8.697 3.819 ( 4.288 19.816 2.949) 20.488 4.030 ( 8.421 37.416 -4.006) 38.560 5.352 ( -1.277 1.033 -2.257) 2.792 7.331 ( 7.218 14.974 1.559) 16.696 8.261 ( -2.728 -8.961 1.971) 9.572 9.749 ( -5.806 -5.593 -2.562) 8.459 10.273 ( -0.560 -4.398 -21.278) 21.736 12.010 ( -2.026 -31.070 14.998) 34.560 14.380 ( -3.986 1.728 -13.231) 13.926 ======================= Grid point 333 (118/417) ======================= q-point: ( 0.38 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( 5.366 9.814 6.445) 12.909 2.686 ( 13.631 18.986 4.511) 23.803 3.282 ( 6.272 11.413 -3.969) 13.614 4.086 ( 7.270 12.903 0.692) 14.826 4.503 ( 9.719 24.033 -6.343) 26.689 5.369 ( -0.326 7.529 2.343) 7.892 7.667 ( 11.066 17.207 2.840) 20.654 8.133 ( -4.459 -3.585 0.071) 5.722 9.603 ( -3.227 -4.189 -4.276) 6.800 10.109 ( -3.903 -7.798 -16.709) 18.848 11.693 ( -4.282 -31.745 15.312) 35.504 14.236 ( -8.390 0.084 -11.817) 14.493 ======================= Grid point 334 (119/417) ======================= q-point: ( 0.44 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.424 ( 7.138 6.347 2.955) 9.998 3.095 ( 11.500 15.241 3.204) 19.359 3.524 ( 5.912 17.914 -4.163) 19.318 4.330 ( 9.353 6.448 -0.160) 11.361 4.742 ( 2.921 7.365 -7.540) 10.937 5.543 ( 4.927 14.886 6.023) 16.797 7.956 ( 1.065 5.386 1.587) 5.715 8.144 ( 5.365 15.803 0.892) 16.713 9.537 ( 1.996 -4.034 -6.432) 7.850 9.890 ( -6.603 -6.445 -11.111) 14.443 11.321 ( -8.117 -30.755 12.813) 34.292 14.038 ( -8.594 -1.521 -9.348) 12.789 ======================= Grid point 335 (120/417) ======================= q-point: ( 0.50 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.605 ( 7.492 3.018 -0.261) 8.081 3.402 ( 6.860 13.498 0.430) 15.147 3.794 ( 3.309 20.565 -2.098) 20.935 4.518 ( 7.091 2.686 -4.940) 9.050 4.785 ( 0.286 2.733 0.078) 2.749 5.799 ( 6.190 10.316 5.027) 13.039 7.997 ( 3.148 2.333 -1.334) 4.139 8.447 ( 1.894 23.097 3.539) 23.443 9.479 ( -1.439 -7.149 -10.688) 12.939 9.760 ( -0.138 0.606 -2.277) 2.360 10.887 ( -12.643 -25.464 7.742) 29.465 13.873 ( -3.645 -4.320 -5.636) 7.982 ======================= Grid point 336 (121/417) ======================= q-point: ( 0.56 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.734 ( 5.971 0.115 -3.285) 6.816 3.613 ( 1.629 14.620 -2.243) 14.880 4.012 ( 0.185 16.707 1.412) 16.767 4.579 ( 0.063 3.410 -8.500) 9.159 4.852 ( 2.366 2.655 5.240) 6.333 5.972 ( 4.894 1.824 4.122) 6.653 8.122 ( 8.830 1.995 -2.264) 9.331 8.670 ( -4.384 23.580 3.635) 24.258 9.319 ( -3.575 -5.723 -7.027) 9.742 9.787 ( -1.008 -1.111 1.139) 1.883 10.485 ( -11.044 -12.080 1.240) 16.415 13.794 ( 2.866 -7.798 -1.973) 8.539 ======================= Grid point 337 (122/417) ======================= q-point: ( 0.62 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.786 ( 2.706 -1.978 -5.375) 6.334 3.733 ( -4.034 15.185 -3.824) 16.170 4.147 ( -2.293 12.704 4.427) 13.648 4.576 ( -0.651 2.958 -5.975) 6.699 4.905 ( -2.143 3.403 2.652) 4.817 6.042 ( 3.570 -4.726 3.928) 7.107 8.283 ( 8.937 -1.890 -3.016) 9.619 8.783 ( -10.068 20.871 2.302) 23.286 9.263 ( 4.287 -1.216 -0.211) 4.461 9.649 ( -9.242 -4.067 1.947) 10.283 10.319 ( -4.000 1.626 -3.637) 5.646 13.795 ( 7.405 -9.831 0.648) 12.325 ======================= Grid point 338 (123/417) ======================= q-point: (-0.31 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.754 ( -1.260 -2.801 -5.542) 6.337 3.741 ( -10.125 13.187 -4.011) 17.103 4.222 ( -5.993 12.330 5.614) 14.814 4.580 ( 1.550 -0.306 -4.802) 5.055 4.860 ( -5.971 1.850 0.833) 6.307 6.029 ( 0.289 -7.174 3.731) 8.091 8.313 ( 0.519 -7.510 -2.234) 7.852 8.759 ( -12.872 13.868 1.935) 19.019 9.453 ( 12.492 5.932 5.981) 15.066 9.538 ( -1.346 3.321 -2.168) 4.188 10.256 ( -4.364 1.477 -5.504) 7.178 13.852 ( 9.479 -9.033 2.077) 13.257 ======================= Grid point 339 (124/417) ======================= q-point: (-0.25 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.658 ( -4.926 -2.271 -3.836) 6.644 3.621 ( -14.859 8.669 -3.006) 17.463 4.183 ( -15.413 11.848 4.011) 19.850 4.565 ( -0.033 -5.091 -4.443) 6.757 4.810 ( 0.692 1.440 0.779) 1.778 5.922 ( -6.602 -6.452 3.301) 9.803 8.182 ( -4.662 -7.383 -0.467) 8.744 8.633 ( -15.952 9.313 2.489) 18.639 9.618 ( 4.565 4.732 -5.840) 8.794 9.804 ( 15.734 6.853 10.577) 20.159 10.188 ( 1.556 -0.479 -8.704) 8.855 13.956 ( 10.354 -6.044 2.131) 12.177 ======================= Grid point 340 (125/417) ======================= q-point: (-0.19 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.518 ( -8.356 -0.746 -1.172) 8.470 3.386 ( -18.465 3.847 -1.495) 18.921 3.952 ( -20.855 5.196 0.563) 21.500 4.452 ( -6.286 -3.354 -0.569) 7.148 4.916 ( 8.160 1.654 -2.380) 8.660 5.680 ( -16.295 -4.769 3.486) 17.333 8.041 ( -4.942 -3.451 0.239) 6.033 8.406 ( -18.349 3.770 1.852) 18.823 9.664 ( -1.211 1.726 -3.569) 4.145 10.094 ( 12.409 -1.184 -1.077) 12.512 10.407 ( 21.951 6.033 0.665) 22.774 14.100 ( 10.737 -3.138 0.343) 11.192 ======================= Grid point 341 (126/417) ======================= q-point: (-0.12 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( -12.151 1.356 1.468) 12.314 3.049 ( -22.672 0.707 0.285) 22.685 3.620 ( -18.152 -1.322 -1.564) 18.267 4.281 ( -12.185 0.725 1.416) 12.289 5.044 ( 1.855 3.050 -9.773) 10.405 5.310 ( -19.859 -3.647 8.361) 21.854 7.905 ( -12.204 -0.444 1.016) 12.254 8.145 ( -9.194 -1.244 -0.343) 9.284 9.647 ( -0.235 1.397 -1.318) 1.935 10.284 ( 14.293 -3.186 -10.457) 17.995 10.925 ( 27.330 5.069 10.048) 29.557 14.252 ( 10.127 -2.352 -3.391) 10.936 ======================= Grid point 342 (127/417) ======================= q-point: (-0.06 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( -16.455 3.773 3.431) 17.227 2.628 ( -26.077 0.087 2.080) 26.160 3.318 ( -12.530 -3.501 -2.668) 13.280 4.048 ( -18.271 3.848 2.578) 18.849 4.705 ( -33.696 6.893 -4.179) 34.647 5.258 ( 6.240 -2.286 0.848) 6.699 7.600 ( -19.022 -1.174 1.065) 19.087 8.109 ( 4.502 -1.678 -1.406) 5.006 9.693 ( 3.762 2.180 -0.546) 4.382 10.439 ( 11.458 -3.566 -13.641) 18.168 11.489 ( 28.563 1.370 14.679) 32.144 14.365 ( 8.299 -3.590 -8.328) 12.293 ======================= Grid point 348 (128/417) ======================= q-point: ( 0.31 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( 0.000 10.793 8.144) 13.521 2.377 ( -0.000 19.610 4.255) 20.066 3.125 ( -0.000 6.277 -3.224) 7.057 3.973 ( -0.000 17.244 -1.786) 17.336 4.321 ( -0.000 33.392 -2.270) 33.470 5.389 ( -0.000 5.652 -0.020) 5.652 7.404 ( -0.000 13.200 0.667) 13.217 8.222 ( 0.000 -4.935 2.196) 5.401 9.760 ( 0.000 -3.750 -0.512) 3.785 10.125 ( -0.000 -9.100 -23.038) 24.770 11.756 ( 0.000 -32.706 15.222) 36.074 14.397 ( -0.000 2.033 -11.038) 11.224 ======================= Grid point 349 (129/417) ======================= q-point: ( 0.38 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.264 ( 2.022 7.680 5.220) 9.504 2.664 ( 9.756 16.382 3.581) 19.400 3.242 ( 6.860 8.225 -3.386) 11.233 4.134 ( 2.015 12.577 -3.570) 13.228 4.618 ( 2.584 21.015 -3.604) 21.478 5.484 ( -0.048 13.279 3.188) 13.657 7.626 ( 10.477 12.697 0.992) 16.491 8.173 ( -2.835 -0.922 0.571) 3.035 9.655 ( -7.027 -2.146 -3.343) 8.072 9.978 ( 1.952 -9.955 -17.296) 20.052 11.461 ( -1.496 -33.488 14.548) 36.542 14.333 ( -5.532 1.357 -9.457) 11.040 ======================= Grid point 350 (130/417) ======================= q-point: ( 0.44 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.393 ( 4.199 4.678 2.614) 6.808 3.022 ( 12.911 11.971 2.586) 17.796 3.509 ( 12.287 13.560 -3.293) 18.593 4.266 ( 3.997 6.037 -4.035) 8.288 4.786 ( 0.476 9.922 -2.932) 10.357 5.671 ( 1.463 17.469 4.509) 18.101 7.982 ( 9.704 10.706 2.462) 14.658 8.144 ( 3.204 5.718 -1.538) 6.732 9.502 ( -4.563 -3.414 -6.576) 8.702 9.863 ( -1.357 -4.900 -10.276) 11.465 11.132 ( -3.159 -33.176 12.553) 35.612 14.173 ( -10.146 0.252 -8.023) 12.937 ======================= Grid point 351 (131/417) ======================= q-point: ( 0.50 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.519 ( 5.633 2.223 0.392) 6.069 3.352 ( 12.117 9.618 0.926) 15.498 3.872 ( 10.271 17.898 -2.402) 20.775 4.382 ( 7.704 1.408 -4.656) 9.111 4.839 ( -1.710 4.874 0.739) 5.218 5.871 ( 1.159 13.157 3.758) 13.733 8.026 ( -2.685 4.139 -1.113) 5.057 8.522 ( 15.237 16.390 3.091) 22.591 9.391 ( -0.761 -4.985 -8.398) 9.796 9.783 ( -2.256 1.830 -5.507) 6.226 10.777 ( -4.883 -30.322 9.363) 32.108 13.954 ( -10.823 -1.641 -6.098) 12.531 ======================= Grid point 352 (132/417) ======================= q-point: ( 0.56 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.629 ( 5.537 0.388 -1.584) 5.772 3.642 ( 9.481 10.563 -0.990) 14.228 4.132 ( 2.294 11.883 0.730) 12.125 4.548 ( 7.406 6.514 -8.516) 13.031 4.867 ( 1.265 2.692 5.695) 6.425 5.974 ( -0.990 4.378 2.988) 5.392 8.057 ( 1.997 4.341 -1.288) 4.949 8.885 ( 5.547 15.763 4.981) 17.437 9.301 ( -2.226 -3.318 -7.800) 8.764 9.801 ( 0.849 4.918 -2.771) 5.708 10.450 ( -3.807 -21.806 4.883) 22.668 13.749 ( -6.637 -4.660 -3.619) 8.881 ======================= Grid point 353 (133/417) ======================= q-point: ( 0.62 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.702 ( 3.812 -0.705 -3.038) 4.925 3.875 ( 4.165 13.019 -3.128) 14.023 4.241 ( 1.488 4.517 3.988) 6.207 4.603 ( -2.678 1.901 -5.287) 6.224 5.018 ( 3.315 12.287 2.253) 12.924 5.955 ( -0.663 -5.835 3.053) 6.618 8.158 ( 5.121 2.634 -1.264) 5.896 9.080 ( -1.161 12.163 4.746) 13.107 9.198 ( -1.976 -2.530 -4.303) 5.368 9.792 ( -6.864 2.415 1.078) 7.356 10.313 ( 2.643 -5.194 -1.804) 6.101 13.625 ( 0.542 -7.426 -1.164) 7.536 ======================= Grid point 354 (134/417) ======================= q-point: (-0.31 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.725 ( 0.955 -0.808 -3.251) 3.484 4.003 ( -4.447 14.125 -4.663) 15.526 4.327 ( 2.187 3.190 4.982) 6.307 4.528 ( -0.665 -6.067 -0.814) 6.158 5.120 ( -10.312 16.541 -2.068) 19.602 5.900 ( 4.378 -11.634 3.536) 12.924 8.233 ( 2.198 -1.358 -1.286) 2.886 9.032 ( -8.404 3.685 -0.205) 9.179 9.299 ( 9.658 1.332 2.816) 10.148 9.704 ( -7.602 8.260 2.227) 11.444 10.307 ( -1.775 0.072 -4.781) 5.101 13.617 ( 7.188 -7.429 0.377) 10.344 ======================= Grid point 355 (135/417) ======================= q-point: (-0.25 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.700 ( -2.229 0.168 -1.923) 2.949 3.947 ( -13.554 8.735 -3.471) 16.494 4.386 ( 0.174 0.761 -1.453) 1.649 4.504 ( 2.946 -3.602 5.202) 6.979 4.982 ( -16.431 7.836 -2.641) 18.394 5.896 ( 3.280 -6.781 2.599) 7.968 8.192 ( -3.142 -2.949 -0.720) 4.369 8.923 ( -9.231 2.656 1.474) 9.718 9.495 ( 11.018 -0.129 -1.949) 11.190 9.753 ( 2.350 8.560 4.829) 10.106 10.207 ( -6.224 -0.459 -4.620) 7.765 13.717 ( 10.673 -4.521 0.289) 11.595 ======================= Grid point 356 (136/417) ======================= q-point: (-0.19 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.642 ( -5.305 1.928 0.345) 5.655 3.717 ( -17.002 1.573 -1.430) 17.134 4.273 ( -11.937 -4.018 -5.209) 13.630 4.535 ( -3.285 3.278 6.600) 8.068 4.830 ( -0.988 0.256 -2.568) 2.763 5.848 ( -5.632 -1.615 1.702) 6.101 8.100 ( -4.720 -0.052 -0.456) 4.742 8.729 ( -15.355 -1.201 1.582) 15.483 9.652 ( 6.701 2.669 -6.009) 9.388 9.877 ( 6.210 -8.001 -0.221) 10.131 10.205 ( 7.718 7.454 4.318) 11.566 13.880 ( 11.166 -1.378 -1.497) 11.350 ======================= Grid point 357 (137/417) ======================= q-point: (-0.12 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.558 ( -8.479 4.047 2.514) 9.725 3.402 ( -18.571 -1.865 0.116) 18.665 3.902 ( -19.398 -7.584 -3.887) 21.188 4.492 ( -8.174 5.021 3.221) 10.119 4.905 ( 8.383 -0.749 -3.745) 9.212 5.666 ( -16.061 1.624 2.218) 16.294 8.032 ( -4.952 2.893 -0.723) 5.780 8.387 ( -18.634 -6.275 0.124) 19.663 9.697 ( -2.269 2.734 -0.744) 3.630 9.941 ( 14.238 -7.063 -11.082) 19.375 10.570 ( 21.855 2.877 12.008) 25.102 14.048 ( 9.804 -0.225 -4.584) 10.825 ======================= Grid point 358 (138/417) ======================= q-point: (-0.06 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.442 ( -12.184 6.245 3.669) 14.174 3.039 ( -21.264 -2.114 1.691) 21.436 3.498 ( -15.608 -7.302 -3.695) 17.623 4.375 ( -12.800 6.091 2.486) 14.391 5.019 ( 5.540 0.481 -9.640) 11.129 5.364 ( -21.839 4.194 6.355) 23.128 7.892 ( -15.830 -2.773 0.936) 16.098 8.091 ( -5.062 -0.997 -3.028) 5.982 9.696 ( -0.664 3.355 0.440) 3.448 10.104 ( 15.548 -5.690 -14.031) 21.702 11.051 ( 27.394 -2.674 15.968) 31.820 14.170 ( 7.378 -1.236 -8.388) 11.240 ======================= Grid point 365 (139/417) ======================= q-point: ( 0.38 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( 0.000 4.882 2.823) 5.639 2.735 ( -0.000 13.401 2.996) 13.731 3.238 ( -0.000 7.329 -3.181) 7.989 4.215 ( -0.000 9.062 -5.736) 10.725 4.770 ( -0.000 14.562 -1.944) 14.691 5.655 ( -0.000 17.882 3.694) 18.259 7.626 ( -0.000 8.395 -0.338) 8.401 8.209 ( -0.000 2.562 -0.546) 2.619 9.746 ( -0.000 2.579 0.368) 2.605 9.753 ( -0.000 -12.559 -17.887) 21.856 11.182 ( 0.000 -33.893 13.118) 36.343 14.374 ( -0.000 1.934 -7.430) 7.678 ======================= Grid point 366 (140/417) ======================= q-point: ( 0.44 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.382 ( 1.930 2.319 1.102) 3.212 2.940 ( 8.668 9.332 2.082) 12.906 3.399 ( 10.469 9.330 -2.659) 14.273 4.269 ( 0.669 4.566 -5.697) 7.332 4.884 ( -0.613 9.658 -0.469) 9.689 5.851 ( 0.212 17.694 3.086) 17.963 7.827 ( 14.457 6.932 0.013) 16.033 8.210 ( -3.330 4.589 -2.716) 6.287 9.525 ( -5.300 -7.454 -10.042) 13.582 9.812 ( 1.573 2.482 -2.871) 4.108 10.874 ( -1.257 -33.227 10.990) 35.020 14.312 ( -6.698 1.688 -6.050) 9.182 ======================= Grid point 367 (141/417) ======================= q-point: ( 0.50 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.452 ( 4.060 0.739 0.259) 4.135 3.211 ( 12.682 6.276 1.044) 14.188 3.757 ( 18.117 12.218 -1.979) 21.941 4.298 ( 1.742 1.108 -4.299) 4.769 4.936 ( -2.555 5.943 0.884) 6.529 6.018 ( -0.557 13.570 2.175) 13.754 8.131 ( -1.440 5.721 -0.969) 5.979 8.291 ( 20.795 7.189 -1.560) 22.057 9.363 ( -3.397 -4.041 -6.573) 8.430 9.837 ( -1.661 4.981 -2.874) 5.986 10.555 ( -2.057 -30.809 8.747) 32.092 14.140 ( -12.056 0.767 -4.929) 13.048 ======================= Grid point 368 (142/417) ======================= q-point: ( 0.56 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.536 ( 5.070 0.004 -0.284) 5.078 3.507 ( 14.131 5.657 0.229) 15.223 4.167 ( 9.296 11.311 -0.094) 14.641 4.375 ( 12.244 2.314 -4.976) 13.418 4.923 ( -3.671 1.854 2.793) 4.971 6.096 ( -3.925 7.484 1.449) 8.574 8.111 ( -2.963 4.926 -1.820) 6.029 8.784 ( 21.273 7.732 1.717) 22.700 9.286 ( -1.018 0.754 -5.340) 5.488 9.846 ( -1.184 4.971 -3.431) 6.155 10.265 ( -1.345 -24.857 7.115) 25.890 13.896 ( -13.697 -0.848 -3.599) 14.187 ======================= Grid point 369 (143/417) ======================= q-point: ( 0.62 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.618 ( 4.561 -0.162 -0.815) 4.637 3.806 ( 13.256 6.294 -0.688) 14.690 4.263 ( 0.255 1.835 1.964) 2.701 4.663 ( 2.689 8.435 -7.583) 11.657 4.953 ( 10.908 1.833 5.632) 12.412 6.026 ( -9.057 0.132 0.935) 9.106 8.137 ( 1.112 3.828 -0.729) 4.052 9.072 ( 6.633 1.205 2.007) 7.034 9.285 ( -3.745 4.662 -3.075) 6.724 9.899 ( 1.319 5.416 -3.766) 6.727 10.116 ( 6.649 -13.237 4.874) 15.595 13.654 ( -10.185 -2.665 -1.922) 10.702 ======================= Grid point 370 (144/417) ======================= q-point: ( 0.69 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.682 ( 2.939 0.310 -0.940) 3.101 4.072 ( 9.081 7.881 -2.733) 12.331 4.297 ( 2.618 -0.987 4.496) 5.295 4.570 ( -9.670 -1.454 -2.692) 10.142 5.307 ( 13.476 12.606 0.102) 18.453 5.801 ( -11.114 -9.378 1.196) 14.592 8.198 ( 2.138 1.511 -0.279) 2.633 9.156 ( 0.880 0.105 -1.795) 2.002 9.199 ( -3.061 -0.145 2.025) 3.673 9.892 ( -5.294 3.700 0.922) 6.524 10.242 ( 9.043 -0.574 -1.192) 9.140 13.510 ( -1.956 -2.847 -0.425) 3.480 ======================= Grid point 371 (145/417) ======================= q-point: (-0.25 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.720 ( 0.683 1.556 -0.153) 1.706 4.199 ( -4.823 6.694 -4.337) 9.321 4.349 ( -0.644 -10.931 0.723) 10.974 4.411 ( 2.921 4.177 3.486) 6.176 5.385 ( -20.855 3.357 -1.423) 21.171 5.696 ( 13.547 -3.837 1.434) 14.153 8.219 ( -0.753 0.468 -0.229) 0.916 9.062 ( -6.425 0.557 1.100) 6.542 9.295 ( 9.328 -1.539 -1.258) 9.538 9.820 ( -4.236 -2.171 0.805) 4.827 10.309 ( -2.240 3.213 -0.565) 3.958 13.536 ( 6.387 -0.161 -0.240) 6.393 ======================= Grid point 372 (146/417) ======================= q-point: (-0.19 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.736 ( -1.904 3.396 1.427) 4.146 3.981 ( -14.896 -4.932 -0.459) 15.698 4.287 ( -0.610 -4.256 -6.063) 7.433 4.561 ( 5.428 3.169 5.884) 8.610 5.003 ( -17.560 -5.633 -0.422) 18.446 5.868 ( 3.905 3.673 0.047) 5.361 8.197 ( -3.530 3.826 -0.275) 5.213 8.924 ( -10.301 -3.799 1.624) 11.098 9.450 ( 11.541 -2.321 -5.857) 13.148 9.724 ( 1.079 -9.691 1.442) 9.857 10.285 ( -4.006 5.575 3.054) 7.514 13.697 ( 9.770 3.148 -1.643) 10.395 ======================= Grid point 373 (147/417) ======================= q-point: (-0.12 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.731 ( -4.721 5.423 3.014) 7.796 3.655 ( -15.363 -6.753 0.207) 16.783 4.081 ( -13.016 -10.465 -5.181) 17.487 4.672 ( -2.059 5.107 6.026) 8.163 4.772 ( -0.055 -3.477 -3.560) 4.977 5.890 ( -6.056 4.369 0.339) 7.475 8.178 ( -5.541 8.154 -0.964) 9.906 8.607 ( -16.750 -11.527 0.039) 20.333 9.591 ( 12.415 -5.244 -10.395) 17.020 9.715 ( 3.945 -3.668 3.776) 6.578 10.352 ( 7.279 0.280 7.205) 10.246 13.893 ( 8.718 4.584 -3.799) 10.557 ======================= Grid point 374 (148/417) ======================= q-point: (-0.06 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.698 ( -7.895 7.403 3.685) 11.433 3.325 ( -15.703 -5.612 0.979) 16.704 3.679 ( -16.494 -10.766 -3.681) 20.037 4.625 ( -8.145 5.763 1.056) 10.034 4.845 ( 8.140 -2.202 -3.368) 9.080 5.759 ( -14.585 5.719 1.668) 15.755 8.114 ( -12.813 -1.121 0.714) 12.881 8.216 ( -11.060 -2.255 -3.792) 11.907 9.725 ( 12.395 -6.170 -6.472) 15.283 9.763 ( 1.653 3.175 -2.804) 4.548 10.600 ( 22.112 -8.619 11.371) 26.316 14.046 ( 5.581 3.749 -6.063) 9.053 ======================= Grid point 382 (149/417) ======================= q-point: ( 0.44 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.379 ( -0.000 0.213 -0.038) 0.216 2.949 ( -0.000 6.640 1.604) 6.831 3.375 ( -0.000 7.769 -2.122) 8.054 4.281 ( -0.000 2.365 -5.038) 5.565 4.982 ( -0.000 8.161 0.446) 8.173 6.022 ( -0.000 14.837 1.576) 14.920 7.733 ( -0.000 3.080 -0.905) 3.210 8.285 ( -0.000 5.825 -4.256) 7.214 9.454 ( -0.000 -6.977 -8.735) 11.179 9.852 ( -0.000 6.666 0.800) 6.714 10.591 ( 0.000 -31.812 8.618) 32.959 14.376 ( -0.000 2.177 -4.510) 5.008 ======================= Grid point 383 (150/417) ======================= q-point: ( 0.50 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.396 ( 2.390 -0.648 0.270) 2.491 3.079 ( 8.060 4.105 0.995) 9.100 3.561 ( 13.103 7.559 -1.495) 15.201 4.285 ( 0.193 0.964 -3.179) 3.328 5.038 ( -1.913 5.669 0.590) 6.012 6.153 ( -0.165 10.694 0.534) 10.709 7.915 ( 17.891 2.548 -0.383) 18.076 8.290 ( -4.012 5.406 -4.692) 8.206 9.367 ( -2.200 -1.445 -4.403) 5.130 9.913 ( -1.084 5.909 -0.070) 6.008 10.305 ( -0.565 -28.428 6.393) 29.143 14.317 ( -7.575 1.859 -3.519) 8.557 ======================= Grid point 384 (151/417) ======================= q-point: ( 0.56 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.452 ( 4.358 -0.485 1.063) 4.512 3.305 ( 13.291 2.755 0.747) 13.594 3.946 ( 22.328 7.247 -1.210) 23.505 4.287 ( 0.362 0.204 -1.292) 1.357 5.028 ( -4.402 2.559 0.606) 5.127 6.225 ( -1.963 6.420 0.045) 6.713 8.228 ( -4.808 4.776 -1.404) 6.920 8.375 ( 28.239 2.588 -1.464) 28.396 9.329 ( -2.153 4.459 -2.691) 5.636 9.885 ( -3.676 -6.661 -0.658) 7.636 10.094 ( 0.382 -13.020 4.693) 13.845 14.134 ( -13.545 1.106 -2.658) 13.848 ======================= Grid point 385 (152/417) ======================= q-point: ( 0.62 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.535 ( 4.879 -0.058 1.279) 5.045 3.586 ( 15.725 1.969 0.764) 15.866 4.283 ( -0.216 1.073 1.429) 1.801 4.442 ( 25.571 5.536 -3.282) 26.368 4.943 ( -6.173 -1.092 1.365) 6.416 6.194 ( -7.001 2.111 -0.506) 7.330 8.185 ( -3.031 2.859 -0.250) 4.174 8.865 ( 20.939 0.859 -0.124) 20.957 9.384 ( -0.209 11.313 -3.125) 11.739 9.723 ( 4.107 -15.562 -0.285) 16.097 10.052 ( -1.232 -0.921 3.652) 3.963 13.875 ( -15.663 0.451 -1.508) 15.742 ======================= Grid point 386 (153/417) ======================= q-point: (-0.31 -0.56 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.622 ( 4.346 0.540 1.035) 4.500 3.878 ( 15.573 0.631 0.924) 15.613 4.284 ( -0.323 -0.562 2.116) 2.213 4.737 ( -7.367 3.434 -5.657) 9.903 4.983 ( 23.335 -3.030 3.760) 23.830 6.016 ( -13.625 -0.616 -1.228) 13.694 8.183 ( 0.491 0.488 0.619) 0.929 9.067 ( 6.067 -0.977 -0.873) 6.207 9.348 ( -9.041 1.642 0.047) 9.189 9.891 ( 14.079 1.151 -6.550) 15.570 10.045 ( 3.947 -1.914 7.192) 8.424 13.629 ( -11.941 1.018 -0.116) 11.985 ======================= Grid point 387 (154/417) ======================= q-point: (-0.25 -0.56 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.703 ( 3.330 1.607 1.022) 3.836 4.117 ( 12.016 -3.939 1.306) 12.713 4.266 ( -1.040 -3.416 2.079) 4.132 4.569 ( -10.012 3.824 -3.002) 11.130 5.321 ( 16.313 -13.275 1.676) 21.098 5.765 ( -13.120 7.510 -2.315) 15.293 8.206 ( 2.075 -0.782 0.491) 2.271 9.133 ( 3.964 -1.977 -3.069) 5.389 9.220 ( -6.863 1.794 3.059) 7.725 9.865 ( -5.630 -4.988 -1.669) 7.705 10.272 ( 10.181 2.155 1.611) 10.531 13.521 ( -2.699 3.878 0.613) 4.765 ======================= Grid point 388 (155/417) ======================= q-point: (-0.19 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.777 ( 1.854 3.205 1.559) 4.017 4.082 ( -6.053 -14.412 2.474) 15.826 4.233 ( 0.585 -2.032 -2.970) 3.646 4.552 ( 1.234 7.070 0.715) 7.213 5.149 ( -9.969 -17.856 0.791) 20.465 5.844 ( 4.933 10.535 -1.626) 11.746 8.252 ( 2.205 2.779 0.479) 3.579 9.046 ( -7.899 -6.095 0.775) 10.007 9.246 ( 5.978 -0.579 -1.880) 6.294 9.677 ( -6.028 -7.884 -0.563) 9.940 10.373 ( -0.108 0.956 1.727) 1.977 13.611 ( 5.481 7.395 -0.173) 9.206 ======================= Grid point 389 (156/417) ======================= q-point: (-0.12 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.839 ( -0.299 5.033 2.298) 5.541 3.793 ( -11.004 -12.160 0.755) 16.417 4.124 ( -6.347 -10.027 -3.267) 12.309 4.653 ( 2.948 1.182 1.702) 3.603 4.851 ( -7.454 -5.115 0.203) 9.042 5.982 ( 0.917 6.060 -0.673) 6.166 8.338 ( -0.426 9.984 -0.028) 9.994 8.739 ( -14.243 -16.351 0.113) 21.684 9.342 ( 7.620 -2.402 -4.741) 9.291 9.584 ( 3.615 -4.634 2.334) 6.324 10.339 ( -2.597 -2.691 2.443) 4.467 13.812 ( 7.440 8.847 -1.682) 11.681 ======================= Grid point 390 (157/417) ======================= q-point: (-0.06 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.878 ( -3.062 6.835 2.540) 7.909 3.488 ( -11.645 -9.275 0.321) 14.891 3.808 ( -13.056 -13.322 -2.381) 18.804 4.670 ( 2.954 -3.645 -3.788) 6.031 4.808 ( -2.050 5.137 2.984) 6.284 5.990 ( -5.812 4.694 0.435) 7.483 8.283 ( -15.044 -16.222 0.928) 22.144 8.414 ( -6.796 13.161 -3.622) 15.248 9.438 ( 9.327 -3.310 -5.685) 11.413 9.701 ( 10.400 -1.657 3.345) 11.049 10.285 ( 3.951 -9.961 3.750) 11.353 14.001 ( 4.972 7.773 -2.915) 9.677 ======================= Grid point 399 (158/417) ======================= q-point: ( 0.50 0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.367 ( 0.000 -1.012 1.496) 1.806 3.042 ( 0.000 2.413 0.846) 2.557 3.498 ( -0.000 5.024 -1.057) 5.134 4.284 ( -0.000 0.702 -1.414) 1.579 5.107 ( -0.000 3.982 0.060) 3.983 6.241 ( -0.000 6.865 -0.519) 6.885 7.761 ( -0.000 0.701 -0.467) 0.842 8.368 ( -0.000 5.062 -3.471) 6.137 9.383 ( -0.000 3.115 -2.126) 3.771 9.983 ( -0.000 5.076 0.344) 5.087 10.054 ( 0.000 -24.923 3.727) 25.200 14.394 ( -0.000 1.843 -2.566) 3.159 ======================= Grid point 400 (159/417) ======================= q-point: ( 0.56 0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.391 ( 2.652 -0.418 3.217) 4.190 3.135 ( 8.131 1.069 0.853) 8.245 3.662 ( 14.216 3.030 -0.814) 14.558 4.290 ( 0.049 0.775 0.512) 0.930 5.112 ( -2.603 1.604 -0.574) 3.111 6.289 ( -0.216 3.349 -0.855) 3.464 7.943 ( 19.657 0.699 -0.201) 19.670 8.364 ( -4.662 3.884 -0.507) 6.089 9.415 ( -1.382 6.855 -1.385) 7.129 9.813 ( -3.156 -17.061 1.066) 17.384 10.038 ( 1.452 1.199 0.580) 1.970 14.332 ( -7.979 1.361 -1.892) 8.312 ======================= Grid point 401 (160/417) ======================= q-point: (-0.38 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.463 ( 4.181 0.057 3.717) 5.594 3.337 ( 13.736 -0.132 1.178) 13.787 4.017 ( 23.901 0.441 -1.068) 23.929 4.303 ( -0.138 1.125 2.432) 2.683 5.044 ( -5.393 -0.641 -1.217) 5.566 6.282 ( -2.503 -0.201 -1.345) 2.848 8.285 ( -3.192 0.522 -0.009) 3.234 8.409 ( 26.694 1.439 1.579) 26.779 9.465 ( 1.371 3.718 -0.944) 4.073 9.622 ( -5.611 -3.886 -0.774) 6.869 10.062 ( 0.465 -0.731 1.156) 1.445 14.145 ( -13.931 1.096 -1.008) 14.010 ======================= Grid point 402 (161/417) ======================= q-point: (-0.31 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.553 ( 4.649 0.180 2.873) 5.468 3.596 ( 16.054 -1.957 1.747) 16.267 4.290 ( 1.385 -1.568 1.739) 2.721 4.479 ( 24.941 -0.927 0.477) 24.963 4.910 ( -7.750 -1.768 -1.681) 8.125 6.176 ( -7.149 -2.949 -2.182) 8.035 8.209 ( -3.657 -1.466 2.027) 4.431 8.850 ( 19.431 -1.948 -1.602) 19.594 9.439 ( -0.520 -8.719 2.422) 9.064 9.690 ( 6.113 18.465 -3.822) 19.822 10.041 ( -1.337 -3.540 2.667) 4.630 13.894 ( -15.494 1.903 0.348) 15.615 ======================= Grid point 403 (162/417) ======================= q-point: (-0.25 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.646 ( 4.850 0.505 1.700) 5.165 3.838 ( 14.546 -5.928 2.598) 15.920 4.271 ( -1.455 -2.673 2.588) 3.995 4.747 ( -8.441 1.358 -3.860) 9.380 4.866 ( 22.278 -9.903 1.538) 24.429 5.988 ( -9.397 -1.213 -2.758) 9.868 8.158 ( 0.422 -3.449 1.292) 3.707 9.012 ( 6.143 -4.415 -3.643) 8.397 9.365 ( -4.511 0.209 4.792) 6.584 9.924 ( -5.156 1.019 -3.453) 6.289 10.071 ( 14.460 5.626 2.371) 15.696 13.692 ( -10.662 4.608 1.732) 11.744 ======================= Grid point 404 (163/417) ======================= q-point: (-0.19 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.744 ( 4.921 1.396 0.898) 5.193 3.939 ( 5.492 -13.733 3.060) 15.104 4.212 ( -1.551 -4.385 1.236) 4.812 4.649 ( -4.400 4.806 -1.540) 6.695 4.989 ( 6.409 -17.259 0.022) 18.411 5.896 ( -0.938 5.001 -2.494) 5.666 8.183 ( 5.473 -1.669 1.086) 5.824 8.985 ( 0.929 -11.850 -4.232) 12.617 9.314 ( -6.121 4.474 6.822) 10.199 9.763 ( -8.985 -2.244 -1.852) 9.444 10.324 ( 6.516 3.128 -0.733) 7.265 13.658 ( -1.361 8.326 1.996) 8.670 ======================= Grid point 405 (164/417) ======================= q-point: (-0.12 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.848 ( 4.295 2.759 0.455) 5.125 3.790 ( -4.306 -15.590 1.345) 16.230 4.104 ( -4.162 -10.930 0.546) 11.709 4.655 ( -1.117 1.611 1.243) 2.321 4.859 ( -0.978 -7.899 -1.383) 8.079 5.985 ( 4.135 4.063 -1.305) 5.942 8.330 ( 9.498 4.079 1.370) 10.428 8.745 ( -8.135 -21.235 -1.202) 22.772 9.300 ( -2.458 4.309 3.466) 6.052 9.607 ( -7.291 2.045 -2.234) 7.895 10.353 ( -2.094 -2.915 -0.375) 3.608 13.799 ( 4.964 10.175 1.002) 11.365 ======================= Grid point 406 (165/417) ======================= q-point: (-0.06 0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1032 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.945 ( 2.511 4.349 -0.000) 5.022 3.544 ( -7.203 -12.475 -0.000) 14.405 3.848 ( -8.794 -15.231 -0.000) 17.587 4.614 ( -1.344 -2.328 -0.000) 2.688 4.862 ( 1.643 2.846 -0.000) 3.286 6.064 ( 1.226 2.123 -0.000) 2.452 8.332 ( -12.325 -21.347 -0.000) 24.649 8.569 ( 6.764 11.716 -0.000) 13.528 9.330 ( 1.169 2.025 -0.000) 2.338 9.547 ( 0.134 0.233 -0.000) 0.269 10.231 ( -4.556 -7.892 -0.000) 9.113 13.994 ( 5.221 9.043 0.000) 10.442 ======================= Grid point 417 (166/417) ======================= q-point: (-0.44 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.381 ( 0.000 0.179 5.663) 5.665 3.069 ( 0.000 -0.231 0.831) 0.862 3.549 ( -0.000 0.398 -0.482) 0.625 4.304 ( 0.000 1.201 2.401) 2.685 5.139 ( -0.000 -0.359 -1.460) 1.503 6.304 ( -0.000 0.130 -1.162) 1.170 7.769 ( 0.000 0.320 0.474) 0.572 8.445 ( 0.000 2.573 3.045) 3.986 9.475 ( -0.000 1.477 -0.543) 1.574 9.726 ( -0.000 -2.778 -1.364) 3.095 10.033 ( -0.000 -0.257 -0.514) 0.575 14.409 ( -0.000 0.935 -1.445) 1.721 ======================= Grid point 418 (167/417) ======================= q-point: (-0.38 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.425 ( 2.136 0.226 6.353) 6.706 3.137 ( 8.276 -1.567 1.071) 8.491 3.666 ( 14.168 -2.151 -0.381) 14.336 4.329 ( -0.069 1.564 4.325) 4.600 5.095 ( -2.692 -2.296 -2.297) 4.218 6.280 ( -0.456 -3.552 -1.771) 3.995 7.946 ( 18.834 -0.393 0.160) 18.839 8.428 ( -4.731 -0.139 5.684) 7.397 9.439 ( -1.013 -4.574 1.085) 4.809 9.763 ( -2.741 14.691 -3.866) 15.437 10.029 ( 1.380 -2.666 -0.353) 3.023 14.343 ( -7.787 0.696 -0.867) 7.866 ======================= Grid point 419 (168/417) ======================= q-point: (-0.31 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.492 ( 3.443 -0.595 4.701) 5.858 3.313 ( 13.660 -3.363 1.642) 14.164 3.954 ( 22.099 -5.984 -0.429) 22.899 4.361 ( 0.226 1.647 5.821) 6.054 4.990 ( -4.915 -3.056 -3.039) 6.537 6.195 ( -2.347 -7.295 -2.891) 8.190 8.247 ( 3.877 -4.115 0.391) 5.668 8.424 ( 16.487 -2.947 3.030) 17.021 9.395 ( -1.318 -0.833 3.866) 4.169 9.872 ( -2.206 17.545 -2.894) 17.918 10.026 ( 0.305 -0.102 -0.820) 0.880 14.166 ( -13.004 1.360 0.308) 13.079 ======================= Grid point 420 (169/417) ======================= q-point: (-0.25 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.563 ( 4.720 -1.364 2.236) 5.398 3.526 ( 14.903 -6.512 2.179) 16.409 4.194 ( 10.571 -10.293 2.061) 14.898 4.463 ( 11.516 -0.999 3.543) 12.090 4.860 ( -5.840 -1.322 -3.060) 6.725 6.043 ( -3.989 -8.612 -3.680) 10.179 8.148 ( -3.672 -5.473 1.690) 6.804 8.730 ( 17.672 -8.887 -3.349) 20.062 9.414 ( 0.226 2.805 7.071) 7.611 9.945 ( -0.301 -5.317 6.311) 8.258 10.105 ( -0.493 24.056 -8.702) 25.586 13.956 ( -13.344 3.468 2.086) 13.944 ======================= Grid point 421 (170/417) ======================= q-point: (-0.19 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.647 ( 6.211 -1.398 0.164) 6.369 3.675 ( 10.743 -11.894 2.245) 16.184 4.168 ( 0.450 -11.454 4.053) 12.158 4.665 ( 13.046 -8.364 -1.389) 15.559 4.763 ( -4.712 2.262 -0.044) 5.227 5.905 ( -0.751 -5.625 -3.541) 6.689 8.083 ( 2.118 -4.193 1.199) 4.848 8.789 ( 5.335 -15.173 -4.192) 16.621 9.481 ( -2.296 6.305 9.611) 11.721 9.853 ( -4.598 -5.011 2.135) 7.128 10.329 ( 1.327 18.994 -6.817) 20.223 13.826 ( -7.717 6.640 3.617) 10.804 ======================= Grid point 422 (171/417) ======================= q-point: (-0.12 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.754 ( 7.403 -0.623 -1.328) 7.547 3.650 ( 2.370 -16.045 1.142) 16.259 4.036 ( -1.861 -15.889 3.616) 16.401 4.725 ( 0.875 -5.808 4.625) 7.476 4.735 ( 1.414 2.658 -5.161) 5.975 5.903 ( 5.771 -2.843 -2.243) 6.813 8.165 ( 9.872 -1.054 1.733) 10.078 8.615 ( -2.552 -21.460 -1.548) 21.667 9.490 ( -8.391 7.415 9.725) 14.831 9.748 ( -4.166 1.280 -2.805) 5.183 10.416 ( -5.643 8.719 -5.516) 11.760 13.855 ( 0.249 8.837 3.758) 9.606 ======================= Grid point 434 (172/417) ======================= q-point: (-0.38 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.433 ( 0.000 -0.305 7.638) 7.644 3.041 ( 0.000 -3.267 0.728) 3.347 3.509 ( 0.000 -3.991 -0.006) 3.991 4.365 ( 0.000 1.735 6.522) 6.749 5.076 ( -0.000 -4.179 -3.028) 5.161 6.221 ( -0.000 -7.623 -2.535) 8.033 7.777 ( 0.000 -0.359 1.089) 1.147 8.472 ( 0.000 -4.454 6.403) 7.800 9.444 ( 0.000 2.266 4.229) 4.798 9.956 ( -0.000 21.317 -6.087) 22.169 9.968 ( 0.000 -5.347 -1.064) 5.451 14.414 ( -0.000 0.396 -0.736) 0.836 ======================= Grid point 435 (173/417) ======================= q-point: (-0.31 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.456 ( 1.244 -2.050 5.968) 6.432 3.079 ( 8.575 -5.287 0.943) 10.118 3.578 ( 12.970 -6.311 0.144) 14.424 4.401 ( -0.339 0.781 8.076) 8.121 4.999 ( -2.034 -4.836 -3.295) 6.196 6.108 ( -0.456 -12.069 -3.852) 12.677 7.921 ( 16.117 -2.659 0.181) 16.336 8.387 ( -4.035 -7.439 4.400) 9.538 9.493 ( -3.520 7.636 7.981) 11.593 9.923 ( 1.686 -4.618 1.340) 5.095 10.157 ( -0.971 24.691 -8.235) 26.046 14.354 ( -7.032 0.874 -0.027) 7.086 ======================= Grid point 436 (174/417) ======================= q-point: (-0.25 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.476 ( 3.082 -3.902 2.644) 5.632 3.214 ( 13.295 -7.927 1.364) 15.538 3.784 ( 18.505 -10.676 0.475) 21.369 4.418 ( 0.109 -1.656 7.058) 7.250 4.905 ( -2.832 -2.682 -1.838) 4.312 5.944 ( -0.617 -15.113 -4.971) 15.922 8.129 ( 4.771 -7.423 -0.828) 8.863 8.317 ( 11.292 -8.168 0.684) 13.953 9.512 ( -4.006 5.462 7.407) 10.037 9.942 ( 0.493 -0.495 7.906) 7.936 10.363 ( -1.985 27.811 -10.123) 29.662 14.209 ( -11.113 2.496 1.648) 11.508 ======================= Grid point 437 (175/417) ======================= q-point: (-0.19 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.511 ( 5.694 -4.774 -0.254) 7.435 3.355 ( 12.909 -11.920 1.143) 17.608 3.927 ( 11.388 -16.867 2.578) 20.514 4.445 ( 5.476 -4.059 1.178) 6.918 4.853 ( -2.597 1.824 2.540) 4.065 5.777 ( 1.631 -14.993 -5.328) 15.995 8.041 ( -1.776 -5.249 0.348) 5.552 8.457 ( 12.700 -15.604 -3.098) 20.356 9.556 ( 1.588 3.690 7.219) 8.261 9.937 ( -6.108 2.056 9.619) 11.578 10.569 ( -3.117 27.688 -10.939) 29.933 14.061 ( -10.536 4.934 4.019) 12.308 ======================= Grid point 438 (176/417) ======================= q-point: (-0.12 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.582 ( 8.419 -4.457 -2.240) 9.786 3.401 ( 7.965 -16.020 0.212) 17.892 3.861 ( 2.527 -20.151 4.155) 20.730 4.524 ( 8.888 -5.403 -3.000) 10.826 4.856 ( -3.538 5.138 5.521) 8.331 5.700 ( 7.723 -12.376 -4.303) 15.210 8.023 ( 4.461 -2.664 1.103) 5.311 8.395 ( 3.001 -20.617 -1.428) 20.884 9.668 ( 3.801 3.081 5.542) 7.393 9.842 ( -11.117 4.523 7.901) 14.369 10.690 ( -8.995 22.468 -11.561) 26.821 13.995 ( -5.379 6.848 5.849) 10.490 ======================= Grid point 451 (177/417) ======================= q-point: (-0.31 -0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.436 ( 0.000 -4.482 5.511) 7.104 2.932 ( 0.000 -8.324 -0.007) 8.324 3.403 ( 0.000 -6.317 0.596) 6.345 4.429 ( 0.000 -2.219 9.067) 9.335 4.953 ( -0.000 -5.311 -2.276) 5.778 5.952 ( -0.000 -16.559 -5.269) 17.377 7.751 ( 0.000 -3.473 0.799) 3.564 8.349 ( 0.000 -9.138 1.880) 9.330 9.698 ( 0.000 15.029 15.112) 21.313 9.835 ( 0.000 -6.308 -0.787) 6.357 10.403 ( -0.000 27.968 -9.866) 29.657 14.424 ( -0.000 1.054 -0.024) 1.055 ======================= Grid point 452 (178/417) ======================= q-point: (-0.25 -0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.396 ( 0.896 -7.196 2.582) 7.697 2.920 ( 9.383 -11.376 0.060) 14.746 3.433 ( 10.332 -7.875 0.707) 13.010 4.404 ( -0.415 -7.493 6.605) 9.997 4.898 ( -0.300 -4.002 1.537) 4.298 5.752 ( 0.153 -19.073 -6.623) 20.191 7.821 ( 12.408 -7.670 -0.565) 14.598 8.239 ( -2.595 -7.241 0.211) 7.695 9.681 ( -7.482 0.896 4.036) 8.548 9.981 ( 3.710 10.410 14.378) 18.135 10.647 ( -1.273 29.907 -11.181) 31.954 14.386 ( -5.847 2.200 0.994) 6.325 ======================= Grid point 453 (179/417) ======================= q-point: (-0.19 -0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.358 ( 3.939 -8.756 -0.573) 9.618 2.996 ( 13.337 -14.705 -0.089) 19.853 3.556 ( 13.055 -11.993 1.189) 17.767 4.328 ( 1.584 -10.573 1.734) 10.830 4.884 ( 1.445 -3.139 7.015) 7.819 5.548 ( 1.210 -18.253 -7.638) 19.823 7.930 ( 9.722 -12.121 -2.499) 15.738 8.160 ( 1.918 -5.780 -0.013) 6.090 9.605 ( -3.022 0.950 3.885) 5.013 10.137 ( -3.994 10.302 15.216) 18.804 10.878 ( -2.924 30.488 -11.838) 32.836 14.292 ( -8.891 4.117 3.334) 10.349 ======================= Grid point 454 (180/417) ======================= q-point: (-0.12 -0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.365 ( 7.889 -8.804 -2.558) 12.095 3.055 ( 12.066 -18.220 -0.903) 21.872 3.597 ( 6.877 -16.836 2.858) 18.410 4.300 ( 7.496 -9.584 -2.179) 12.361 4.938 ( 3.531 -1.079 10.911) 11.519 5.396 ( 4.713 -16.075 -8.452) 18.763 7.919 ( 4.693 -9.888 -1.739) 11.082 8.141 ( 3.263 -10.313 0.393) 10.824 9.627 ( 2.187 1.494 2.750) 3.818 10.157 ( -10.102 9.698 14.049) 19.836 11.047 ( -7.465 27.860 -13.574) 31.877 14.203 ( -8.391 5.688 6.332) 11.952 ======================= Grid point 468 (181/417) ======================= q-point: (-0.25 -0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.308 ( 0.000 -10.844 1.344) 10.927 2.694 ( 0.000 -15.219 -1.030) 15.254 3.280 ( 0.000 -6.316 0.901) 6.380 4.317 ( 0.000 -13.714 3.381) 14.124 4.843 ( 0.000 -10.292 6.022) 11.925 5.541 ( -0.000 -16.436 -7.582) 18.100 7.628 ( 0.000 -9.248 -0.175) 9.250 8.198 ( 0.000 -4.693 -1.421) 4.904 9.744 ( 0.000 -1.800 0.169) 1.808 10.155 ( 0.000 16.409 20.332) 26.127 10.927 ( -0.000 31.344 -11.301) 33.319 14.463 ( 0.000 2.599 0.982) 2.779 ======================= Grid point 469 (182/417) ======================= q-point: (-0.19 -0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( 1.762 -13.289 -1.250) 13.463 2.615 ( 9.996 -18.556 -1.213) 21.112 3.285 ( 7.092 -7.378 0.844) 10.269 4.170 ( 1.053 -17.064 0.037) 17.096 4.735 ( 4.218 -22.103 7.746) 23.798 5.391 ( -1.130 -6.980 -6.035) 9.296 7.602 ( 8.774 -13.227 -1.243) 15.921 8.152 ( -1.534 -0.156 -1.377) 2.068 9.698 ( -4.415 1.666 1.631) 4.993 10.360 ( -1.827 12.415 17.690) 21.688 11.195 ( -1.784 31.983 -10.302) 33.648 14.458 ( -4.397 3.761 2.404) 6.266 ======================= Grid point 470 (183/417) ======================= q-point: (-0.12 -0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( 6.336 -13.770 -3.000) 15.452 2.623 ( 13.642 -21.464 -1.753) 25.493 3.337 ( 7.476 -10.544 1.477) 13.010 4.049 ( 5.844 -16.607 -2.074) 17.727 4.645 ( 13.137 -28.107 6.640) 31.728 5.310 ( -3.209 0.623 -3.223) 4.591 7.616 ( 9.999 -16.612 -2.000) 19.492 8.133 ( -2.617 3.072 -0.110) 4.037 9.666 ( -2.619 3.686 2.231) 5.042 10.444 ( -6.363 8.800 14.275) 17.936 11.412 ( -5.926 30.180 -10.977) 32.657 14.415 ( -6.871 5.075 5.260) 10.032 ======================= Grid point 485 (184/417) ======================= q-point: (-0.19 -0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( 0.000 -17.341 -2.709) 17.551 2.315 ( 0.000 -21.502 -1.823) 21.580 3.163 ( 0.000 -5.854 0.550) 5.880 3.956 ( 0.000 -22.547 -2.449) 22.680 4.414 ( 0.000 -35.069 5.846) 35.553 5.371 ( -0.000 1.200 -1.869) 2.221 7.389 ( 0.000 -13.680 -0.754) 13.701 8.182 ( -0.000 4.664 -1.751) 4.981 9.775 ( -0.000 4.212 0.863) 4.299 10.547 ( 0.000 9.269 15.853) 18.364 11.507 ( -0.000 32.615 -7.190) 33.398 14.539 ( 0.000 3.707 2.420) 4.427 ======================= Grid point 486 (185/417) ======================= q-point: (-0.12 -0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( 3.968 -18.900 -4.105) 19.743 2.174 ( 10.058 -23.993 -2.168) 26.107 3.149 ( 4.515 -6.607 0.513) 8.019 3.731 ( 5.289 -27.198 -3.851) 27.973 4.135 ( 7.833 -35.334 4.832) 36.513 5.378 ( -1.712 3.335 0.219) 3.755 7.304 ( 6.306 -14.936 -1.026) 16.245 8.235 ( -1.786 9.192 -0.848) 9.402 9.787 ( -4.261 5.861 1.382) 7.377 10.637 ( -2.837 4.701 11.753) 12.972 11.779 ( -3.888 31.207 -5.721) 31.964 14.562 ( -2.839 4.194 4.024) 6.469 ======================= Grid point 502 (186/417) ======================= q-point: (-0.12 -0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( 0.000 -22.526 -5.392) 23.162 1.820 ( 0.000 -26.298 -2.309) 26.399 3.053 ( 0.000 -5.209 -0.064) 5.209 3.303 ( 0.000 -42.196 -4.414) 42.427 3.764 ( 0.000 -28.676 4.334) 29.001 5.426 ( -0.000 2.964 0.881) 3.092 7.104 ( 0.000 -13.557 -0.502) 13.566 8.367 ( -0.000 14.185 -0.016) 14.185 9.903 ( -0.000 7.378 0.850) 7.427 10.713 ( 0.000 -0.505 7.715) 7.732 12.115 ( -0.000 30.373 -1.703) 30.420 14.633 ( 0.000 3.215 4.059) 5.178 ======================= Grid point 555 (187/417) ======================= q-point: ( 0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 417 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.483 ( 0.000 -0.000 23.246) 23.246 0.483 ( 0.000 -0.000 23.246) 23.246 0.944 ( 0.000 -0.000 45.993) 45.993 2.848 ( -0.000 0.000 -2.449) 2.449 2.848 ( -0.000 0.000 -2.449) 2.449 6.412 ( -0.000 0.000 -9.400) 9.400 6.673 ( 0.000 -0.000 1.280) 1.280 6.673 ( 0.000 -0.000 1.280) 1.280 10.208 ( -0.000 0.000 -0.814) 0.814 10.208 ( -0.000 0.000 -0.814) 0.814 13.240 ( 0.000 -0.000 2.353) 2.353 13.683 ( -0.000 0.000 -1.152) 1.152 ======================= Grid point 556 (188/417) ======================= q-point: ( 0.19 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( 19.711 11.380 14.716) 27.104 0.960 ( 16.027 9.253 23.807) 30.154 1.477 ( 35.296 20.378 24.592) 47.601 2.849 ( 1.355 0.782 -3.202) 3.564 2.976 ( 10.709 6.183 -2.265) 12.571 5.590 ( -11.798 -6.812 3.798) 14.143 6.734 ( 4.566 2.636 1.557) 5.498 8.538 ( 48.862 28.210 -41.608) 70.103 9.991 ( -8.246 -4.761 -10.101) 13.882 10.165 ( -3.479 -2.008 -0.824) 4.100 13.142 ( -9.204 -5.314 4.894) 11.700 14.136 ( 22.132 12.778 -23.476) 34.702 ======================= Grid point 557 (189/417) ======================= q-point: ( 0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( 13.865 8.005 20.254) 25.818 1.368 ( 22.912 13.228 9.135) 27.989 2.475 ( 42.499 24.537 11.341) 50.367 2.887 ( 2.924 1.688 -3.811) 5.091 3.304 ( 17.726 10.234 -1.821) 20.549 5.436 ( -4.184 -2.416 -3.448) 5.936 6.890 ( 8.356 4.824 1.515) 9.767 8.756 ( -11.863 -6.849 -0.893) 13.728 10.032 ( 13.860 8.002 -30.236) 34.211 10.052 ( -5.791 -3.343 -0.765) 6.730 12.888 ( -14.383 -8.304 10.567) 19.685 14.341 ( 3.737 2.157 -20.866) 21.307 ======================= Grid point 558 (190/417) ======================= q-point: ( 0.31 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( 15.165 8.755 12.145) 21.310 1.918 ( 22.001 12.703 6.597) 26.248 2.955 ( 4.024 2.323 -4.286) 6.321 3.425 ( 34.312 19.810 8.542) 40.531 3.776 ( 24.777 14.305 -3.583) 28.834 5.334 ( -3.601 -2.079 -4.929) 6.448 7.120 ( 10.817 6.245 1.121) 12.540 8.394 ( -15.845 -9.148 1.733) 18.378 9.910 ( -5.826 -3.363 -0.573) 6.751 10.191 ( 5.801 3.349 -24.361) 25.265 12.563 ( -17.728 -10.235 16.595) 26.352 14.247 ( -4.591 -2.651 -19.112) 19.834 ======================= Grid point 559 (191/417) ======================= q-point: ( 0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.138 ( 15.490 8.943 5.531) 18.722 2.415 ( 18.991 10.965 5.367) 22.577 3.041 ( 4.617 2.666 -4.683) 7.096 4.039 ( 18.905 10.915 6.872) 22.886 4.424 ( 28.372 16.381 -8.433) 33.829 5.255 ( -1.080 -0.623 -0.548) 1.362 7.377 ( 10.744 6.203 0.449) 12.414 8.112 ( -7.945 -4.587 -0.340) 9.181 9.800 ( -3.139 -1.812 -0.189) 3.630 10.119 ( -5.271 -3.043 -19.121) 20.066 12.151 ( -23.832 -13.760 17.700) 32.720 14.077 ( -3.561 -2.056 -15.701) 16.231 ======================= Grid point 560 (192/417) ======================= q-point: ( 0.44 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.494 ( 14.163 8.177 0.473) 16.360 2.818 ( 14.085 8.132 4.755) 16.945 3.136 ( 5.166 2.983 -4.945) 7.748 4.423 ( 12.697 7.331 4.529) 15.345 4.785 ( 5.209 3.008 -14.908) 16.076 5.414 ( 14.403 8.316 8.007) 18.458 7.597 ( 7.894 4.558 -0.326) 9.121 8.044 ( 2.502 1.445 -2.063) 3.550 9.777 ( 1.176 0.679 0.357) 1.405 9.864 ( -10.705 -6.181 -14.609) 19.137 11.558 ( -31.474 -18.172 12.030) 38.283 14.015 ( 1.650 0.952 -8.384) 8.597 ======================= Grid point 561 (193/417) ======================= q-point: ( 0.50 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.783 ( 11.089 6.402 -3.961) 13.403 3.073 ( 6.551 3.782 2.386) 7.932 3.261 ( 7.014 4.049 -2.988) 8.632 4.600 ( 0.955 0.552 -5.475) 5.585 4.812 ( 4.282 2.472 -1.266) 5.104 5.790 ( 13.593 7.848 5.451) 16.615 7.734 ( 4.265 2.462 -0.914) 5.009 8.204 ( 11.617 6.707 -3.632) 13.897 9.579 ( -9.578 -5.530 -9.278) 14.436 9.845 ( 4.020 2.321 0.853) 4.719 10.816 ( -34.135 -19.708 6.088) 39.883 14.073 ( 4.171 2.408 -2.081) 5.246 ======================= Grid point 562 (194/417) ======================= q-point: ( 0.56 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.965 ( 6.045 3.490 -8.222) 10.785 3.163 ( 1.927 1.113 -0.998) 2.439 3.408 ( 5.170 2.985 0.281) 5.976 4.546 ( -1.214 -0.701 -5.932) 6.095 4.925 ( 3.332 1.924 2.976) 4.865 6.044 ( 6.960 4.018 3.978) 8.967 7.799 ( 1.868 1.079 -1.106) 2.424 8.525 ( 16.592 9.579 -5.912) 20.050 9.397 ( -3.698 -2.135 -3.376) 5.443 9.939 ( 3.150 1.819 1.084) 3.796 10.079 ( -29.626 -17.105 3.554) 34.393 14.165 ( 3.442 1.987 1.419) 4.221 ======================= Grid point 563 (195/417) ======================= q-point: (-0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.998 ( -0.382 -0.221 -11.009) 11.018 3.172 ( -0.662 -0.382 -2.111) 2.245 3.483 ( 0.924 0.534 1.473) 1.819 4.555 ( 3.658 2.112 -3.143) 5.265 4.957 ( -1.545 -0.892 2.647) 3.192 6.134 ( -0.451 -0.260 3.806) 3.841 7.822 ( 0.536 0.309 -0.910) 1.100 8.831 ( 6.634 3.830 -7.637) 10.817 9.398 ( 3.902 2.253 1.650) 4.798 9.587 ( -8.268 -4.774 2.329) 9.828 9.976 ( -0.434 -0.250 0.989) 1.109 14.231 ( 1.530 0.883 3.433) 3.861 ======================= Grid point 564 (196/417) ======================= q-point: (-0.31 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.885 ( -5.911 -3.413 -10.735) 12.721 3.115 ( -3.873 -2.236 -2.410) 5.080 3.465 ( -2.768 -1.598 1.988) 3.764 4.682 ( 7.480 4.318 -4.567) 9.770 4.875 ( -6.072 -3.506 4.077) 8.111 6.044 ( -8.610 -4.971 4.321) 10.840 7.816 ( -0.987 -0.570 -0.431) 1.218 8.657 ( -14.390 -8.308 -0.677) 16.629 9.611 ( 13.023 7.519 4.888) 15.812 9.798 ( 20.800 12.009 -7.323) 25.109 9.925 ( -3.921 -2.264 0.583) 4.565 14.266 ( 0.605 0.349 5.220) 5.266 ======================= Grid point 565 (197/417) ======================= q-point: (-0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.667 ( -10.037 -5.795 -8.138) 14.162 2.965 ( -8.639 -4.987 -2.087) 10.191 3.382 ( -4.669 -2.695 1.989) 5.746 4.646 ( -10.124 -5.845 -2.394) 11.932 4.904 ( 7.980 4.607 -0.342) 9.221 5.762 ( -17.077 -9.859 5.542) 20.483 7.762 ( -3.993 -2.305 0.165) 4.613 8.342 ( -11.776 -6.799 2.124) 13.762 9.822 ( -4.421 -2.552 -0.039) 5.105 9.988 ( 16.931 9.775 7.325) 20.878 10.316 ( 25.733 14.857 -13.967) 32.833 14.311 ( 1.854 1.071 6.784) 7.114 ======================= Grid point 566 (198/417) ======================= q-point: (-0.19 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.371 ( -13.698 -7.908 -4.424) 16.424 2.695 ( -14.285 -8.248 -1.111) 16.533 3.274 ( -5.036 -2.908 1.477) 6.000 4.343 ( -15.375 -8.877 0.003) 17.753 5.010 ( -4.352 -2.512 -9.853) 11.060 5.354 ( -14.253 -8.229 10.952) 19.769 7.620 ( -8.495 -4.905 0.583) 9.827 8.158 ( -4.456 -2.573 2.563) 5.748 9.752 ( -0.973 -0.562 -0.604) 1.275 10.385 ( 14.626 8.444 3.330) 17.214 10.880 ( 27.005 15.591 -11.916) 33.382 14.405 ( 4.276 2.469 6.587) 8.232 ======================= Grid point 567 (199/417) ======================= q-point: (-0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( -17.090 -9.867 -0.073) 19.734 2.304 ( -19.224 -11.099 0.302) 22.200 3.162 ( -4.937 -2.850 0.796) 5.756 3.933 ( -20.954 -12.098 1.821) 24.264 4.469 ( -31.418 -18.139 -4.927) 36.612 5.348 ( 3.749 2.165 2.656) 5.079 7.382 ( -11.849 -6.841 0.625) 13.696 8.165 ( 4.512 2.605 1.618) 5.455 9.783 ( 3.723 2.150 -0.850) 4.383 10.647 ( 7.658 4.422 -3.256) 9.424 11.489 ( 27.775 16.036 -4.285) 32.356 14.536 ( 5.125 2.959 3.002) 6.635 ======================= Grid point 572 (200/417) ======================= q-point: ( 0.19 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( 0.000 21.447 15.394) 26.399 1.044 ( 0.000 22.280 21.739) 31.128 1.551 ( 0.000 34.755 27.751) 44.475 2.863 ( -0.000 2.733 -2.815) 3.924 2.938 ( -0.000 10.881 -3.371) 11.391 5.598 ( 0.000 -15.487 2.864) 15.749 6.727 ( -0.000 4.897 1.398) 5.093 8.359 ( -0.000 55.394 -36.770) 66.487 10.064 ( -0.000 -1.894 -10.259) 10.433 10.156 ( 0.000 -4.330 -1.052) 4.455 13.145 ( 0.000 -12.119 5.081) 13.142 14.042 ( -0.000 23.034 -19.720) 30.322 ======================= Grid point 573 (201/417) ======================= q-point: ( 0.25 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( 12.182 22.632 11.163) 28.022 1.372 ( 6.262 13.971 23.153) 27.757 2.244 ( 23.896 39.948 14.113) 48.641 2.883 ( 0.224 4.457 -3.549) 5.702 3.160 ( 10.948 13.718 -2.697) 17.758 5.456 ( -3.162 -5.348 -2.847) 6.834 6.842 ( 5.036 7.485 1.605) 9.163 8.714 ( 6.356 -0.369 -8.917) 10.957 9.928 ( -5.894 5.719 -18.321) 20.077 10.129 ( -0.859 3.206 -7.982) 8.645 12.968 ( -5.781 -16.307 8.898) 19.455 14.235 ( 5.672 9.752 -20.798) 23.660 ======================= Grid point 574 (202/417) ======================= q-point: ( 0.31 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( 8.763 11.999 16.756) 22.395 1.792 ( 15.850 21.657 8.144) 28.047 2.938 ( 1.591 6.013 -4.218) 7.515 3.140 ( 29.916 33.268 8.360) 45.515 3.544 ( 17.520 14.878 -2.811) 23.156 5.352 ( -3.014 -2.479 -5.206) 6.506 7.052 ( 7.812 10.558 1.661) 13.239 8.536 ( -11.245 -13.877 2.324) 18.011 9.858 ( 0.588 -5.826 -8.543) 10.357 10.152 ( -0.330 10.314 -18.992) 21.615 12.701 ( -9.108 -18.503 14.248) 25.067 14.243 ( -2.874 1.742 -19.697) 19.981 ======================= Grid point 575 (203/417) ======================= q-point: ( 0.38 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.027 ( 11.083 10.831 9.322) 18.084 2.298 ( 15.181 19.974 6.408) 25.894 3.023 ( 2.023 7.535 -4.712) 9.114 3.866 ( 18.836 16.460 7.940) 26.245 4.093 ( 27.367 21.139 -7.349) 35.353 5.273 ( -2.080 -0.461 -3.037) 3.710 7.320 ( 8.215 13.255 1.450) 15.662 8.215 ( -10.877 -8.865 0.954) 14.064 9.773 ( 0.320 -7.178 -3.302) 7.907 10.122 ( -3.989 1.474 -18.280) 18.768 12.365 ( -13.910 -20.888 17.124) 30.381 14.094 ( -6.122 -0.093 -17.484) 18.525 ======================= Grid point 576 (204/417) ======================= q-point: ( 0.44 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.350 ( 12.104 8.810 3.177) 15.304 2.744 ( 11.846 17.489 5.382) 21.797 3.126 ( 1.955 9.381 -5.164) 10.885 4.288 ( 13.991 9.210 5.440) 17.611 4.625 ( 14.249 9.974 -13.755) 22.175 5.328 ( 7.344 7.190 5.608) 11.708 7.588 ( 5.370 14.719 0.940) 15.697 8.033 ( -2.786 -2.835 -0.882) 4.071 9.727 ( 2.353 -4.270 -2.624) 5.537 9.930 ( -8.843 -4.706 -13.920) 17.150 11.878 ( -23.195 -23.043 13.223) 35.268 13.976 ( -1.090 0.263 -11.023) 11.080 ======================= Grid point 577 (205/417) ======================= q-point: ( 0.50 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.631 ( 11.248 5.807 -2.012) 12.818 3.068 ( 5.421 12.522 3.281) 14.034 3.258 ( 2.784 13.297 -3.990) 14.159 4.546 ( 5.685 2.738 -2.236) 6.695 4.750 ( 4.229 2.647 -5.941) 7.759 5.661 ( 13.676 10.399 6.613) 18.409 7.790 ( 0.247 15.034 0.173) 15.037 8.064 ( 7.457 1.710 -2.311) 7.992 9.634 ( -7.554 -7.365 -11.489) 15.599 9.793 ( 3.071 0.259 0.581) 3.136 11.206 ( -30.807 -21.853 6.528) 38.331 13.987 ( 4.747 -0.561 -3.717) 6.055 ======================= Grid point 578 (206/417) ======================= q-point: ( 0.56 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.829 ( 8.309 1.937 -6.678) 10.835 3.212 ( -0.339 9.559 -1.355) 9.661 3.445 ( 1.576 14.804 0.090) 14.888 4.540 ( -1.340 -0.629 -7.727) 7.867 4.876 ( 5.417 1.977 3.373) 6.681 5.967 ( 9.234 6.103 4.828) 12.076 7.902 ( -4.094 14.853 -0.480) 15.414 8.288 ( 15.338 3.926 -4.072) 16.348 9.421 ( -4.880 -5.012 -5.754) 9.057 9.873 ( 3.699 -1.026 1.562) 4.145 10.482 ( -30.733 -14.727 2.136) 34.146 14.074 ( 6.741 -2.374 0.699) 7.181 ======================= Grid point 579 (207/417) ======================= q-point: ( 0.62 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.904 ( 3.654 -2.086 -9.937) 10.791 3.264 ( -3.662 9.263 -3.315) 10.498 3.577 ( -2.912 12.803 1.623) 13.230 4.515 ( 1.375 1.225 -5.093) 5.416 4.954 ( 1.534 -1.314 3.504) 4.045 6.128 ( 3.193 1.400 4.191) 5.452 7.953 ( -6.677 14.619 -0.676) 16.086 8.596 ( 16.864 1.250 -6.709) 18.193 9.356 ( 2.180 -0.730 -0.065) 2.300 9.733 ( -13.947 -13.135 3.235) 19.429 10.074 ( -7.812 5.526 -0.427) 9.579 14.160 ( 5.910 -4.052 2.891) 7.727 ======================= Grid point 580 (208/417) ======================= q-point: (-0.31 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.853 ( -1.246 -4.991 -10.614) 11.795 3.245 ( -7.131 7.920 -3.720) 11.288 3.609 ( -7.522 10.572 2.108) 13.145 4.585 ( 5.790 3.005 -5.015) 8.228 4.926 ( -2.765 -4.187 4.016) 6.427 6.129 ( -3.994 -3.053 4.409) 6.686 7.961 ( -8.291 13.286 -0.451) 15.667 8.698 ( -1.011 -10.457 -4.508) 11.432 9.463 ( 8.444 2.798 1.585) 9.036 9.595 ( 8.672 3.182 0.968) 9.288 10.038 ( -4.848 5.377 -1.018) 7.311 14.217 ( 4.556 -4.687 4.288) 7.817 ======================= Grid point 581 (209/417) ======================= q-point: (-0.25 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.702 ( -5.550 -6.446 -8.751) 12.204 3.145 ( -11.119 5.578 -3.104) 12.821 3.548 ( -10.759 7.973 2.061) 13.549 4.676 ( 0.940 -1.403 -8.387) 8.555 4.853 ( 0.375 -1.226 5.868) 6.007 5.953 ( -12.311 -7.135 5.185) 15.144 7.922 ( -9.947 10.146 0.090) 14.209 8.451 ( -9.746 -10.911 0.480) 14.638 9.701 ( 12.292 -1.234 -2.729) 12.652 9.892 ( 11.758 5.613 7.659) 15.114 10.080 ( 8.967 13.058 -9.652) 18.550 14.266 ( 4.492 -3.721 5.330) 7.901 ======================= Grid point 582 (210/417) ======================= q-point: (-0.19 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.479 ( -9.674 -6.875 -5.277) 12.988 2.940 ( -16.510 2.422 -1.797) 16.783 3.426 ( -11.122 5.193 1.464) 12.362 4.492 ( -11.128 -7.659 -1.944) 13.648 4.963 ( 5.579 2.816 -4.501) 7.702 5.602 ( -19.488 -10.254 7.559) 23.283 7.807 ( -12.718 5.238 0.717) 13.773 8.221 ( -6.538 -6.056 2.009) 9.136 9.729 ( 0.490 -4.819 -1.647) 5.116 10.211 ( 14.666 8.167 0.329) 16.790 10.532 ( 25.549 13.537 -7.019) 29.754 14.345 ( 5.815 -1.651 5.068) 7.888 ======================= Grid point 583 (211/417) ======================= q-point: (-0.12 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.195 ( -14.112 -6.666 -0.969) 15.637 2.609 ( -21.937 -0.946 0.029) 21.957 3.287 ( -9.699 2.695 0.481) 10.078 4.166 ( -16.763 -8.412 0.650) 18.767 4.816 ( -23.788 -8.249 -8.179) 26.473 5.325 ( -1.140 -2.583 7.050) 7.595 7.590 ( -15.631 0.458 1.058) 15.673 8.137 ( 0.501 -0.902 1.755) 2.035 9.713 ( 3.246 -2.332 -1.429) 4.244 10.496 ( 11.983 3.887 -7.934) 14.888 11.134 ( 28.783 13.451 0.612) 31.777 14.460 ( 6.649 -0.145 2.043) 6.958 ======================= Grid point 589 (212/417) ======================= q-point: ( 0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( 0.000 23.965 9.893) 25.927 1.549 ( 0.000 14.681 22.553) 26.911 2.539 ( -0.000 47.355 11.602) 48.755 2.916 ( -0.000 4.465 -3.322) 5.565 3.215 ( -0.000 18.239 -3.303) 18.536 5.418 ( -0.000 -4.653 -4.040) 6.162 6.887 ( -0.000 9.937 1.476) 10.046 8.619 ( -0.000 -4.936 -3.240) 5.905 10.030 ( 0.000 -7.175 -1.119) 7.262 10.098 ( -0.000 13.822 -26.751) 30.111 12.850 ( 0.000 -21.872 10.431) 24.232 14.231 ( -0.000 10.720 -19.504) 22.256 ======================= Grid point 590 (213/417) ======================= q-point: ( 0.31 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( 3.241 13.303 17.911) 22.545 1.817 ( 10.482 22.847 8.441) 26.516 2.966 ( 1.384 6.250 -3.894) 7.492 3.168 ( 13.952 43.449 7.065) 46.177 3.470 ( 8.466 18.314 -2.862) 20.378 5.352 ( -1.607 -2.165 -5.181) 5.840 7.055 ( 5.722 12.484 1.698) 13.838 8.512 ( -2.617 -13.782 2.540) 14.256 9.851 ( -7.451 -4.112 -7.097) 11.082 10.170 ( 1.880 6.935 -20.557) 21.777 12.627 ( -2.953 -24.850 13.746) 28.552 14.251 ( -1.302 5.665 -18.667) 19.551 ======================= Grid point 591 (214/417) ======================= q-point: ( 0.38 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( 5.670 11.276 11.933) 17.369 2.289 ( 13.847 22.053 6.922) 26.944 3.062 ( 2.308 9.051 -4.573) 10.400 3.799 ( 11.993 18.076 6.279) 22.583 3.896 ( 20.201 30.638 -6.106) 37.203 5.296 ( -1.717 0.708 -3.581) 4.034 7.334 ( 8.675 15.970 2.236) 18.311 8.288 ( -8.004 -11.282 1.951) 13.970 9.692 ( -2.392 -5.770 -6.072) 8.711 10.139 ( -2.556 0.093 -17.053) 17.244 12.344 ( -5.843 -27.094 16.162) 32.085 14.160 ( -6.385 2.431 -17.242) 18.547 ======================= Grid point 592 (215/417) ======================= q-point: ( 0.44 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.283 ( 7.872 9.002 5.913) 13.340 2.754 ( 12.206 20.094 6.122) 24.294 3.193 ( 2.120 12.912 -5.257) 14.101 4.166 ( 12.929 10.270 3.208) 16.820 4.456 ( 14.926 18.142 -9.281) 25.260 5.328 ( 2.989 7.468 2.710) 8.488 7.665 ( 7.407 19.109 2.757) 20.679 8.077 ( -6.307 -4.661 -0.078) 7.842 9.613 ( 2.097 -5.710 -5.542) 8.229 9.977 ( -6.788 -4.983 -12.989) 15.480 11.968 ( -11.925 -28.627 14.391) 34.188 14.005 ( -6.249 1.050 -13.151) 14.598 ======================= Grid point 593 (216/417) ======================= q-point: ( 0.50 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.515 ( 8.652 5.999 0.638) 10.548 3.123 ( 6.840 15.400 3.973) 17.312 3.371 ( 2.393 18.879 -4.124) 19.472 4.445 ( 9.054 4.120 -1.434) 10.050 4.689 ( 4.708 5.912 -6.812) 10.174 5.583 ( 10.545 12.372 6.292) 17.431 7.946 ( 3.684 10.833 1.984) 11.613 8.019 ( -0.870 10.789 -0.665) 10.844 9.582 ( 1.085 -6.372 -9.666) 11.628 9.781 ( -3.769 -3.184 -4.095) 6.412 11.443 ( -20.702 -26.743 8.393) 34.845 13.911 ( -0.206 -1.345 -6.634) 6.772 ======================= Grid point 594 (217/417) ======================= q-point: ( 0.56 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.695 ( 7.477 2.632 -4.115) 8.931 3.326 ( 0.722 13.078 -0.803) 13.123 3.612 ( 1.437 21.356 0.208) 21.405 4.519 ( 0.716 0.291 -8.534) 8.569 4.816 ( 5.238 3.257 3.210) 6.954 5.888 ( 9.457 7.642 5.213) 13.229 8.079 ( 9.358 1.494 -2.334) 9.760 8.191 ( -4.554 23.523 1.942) 24.038 9.422 ( -4.581 -6.863 -8.356) 11.743 9.802 ( 4.338 -0.004 0.784) 4.409 10.814 ( -25.277 -19.517 2.405) 32.025 13.919 ( 5.603 -4.821 -1.302) 7.506 ======================= Grid point 595 (218/417) ======================= q-point: ( 0.62 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.790 ( 4.423 -0.483 -7.770) 8.954 3.431 ( -3.104 13.454 -3.218) 14.178 3.812 ( -3.067 19.722 2.503) 20.116 4.497 ( -0.055 1.488 -7.065) 7.220 4.915 ( 2.687 -0.553 4.005) 4.854 6.082 ( 5.575 1.817 4.510) 7.398 8.257 ( 2.319 9.960 -2.944) 10.642 8.348 ( 2.555 14.282 0.185) 14.509 9.308 ( 0.490 -3.384 -2.501) 4.237 9.798 ( -5.130 -7.610 2.827) 9.603 10.305 ( -15.751 -3.014 -2.238) 16.192 13.980 ( 8.093 -7.640 1.591) 11.243 ======================= Grid point 596 (219/417) ======================= q-point: (-0.31 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.787 ( 0.431 -2.678 -9.110) 9.505 3.462 ( -7.059 12.672 -4.242) 15.113 3.913 ( -8.262 18.048 3.370) 20.133 4.518 ( 2.684 2.530 -5.994) 7.038 4.922 ( -0.566 -4.071 3.753) 5.566 6.146 ( 0.513 -2.782 4.404) 5.234 8.311 ( -9.500 16.261 -1.153) 18.868 8.523 ( 6.355 -0.565 -2.819) 6.975 9.375 ( 7.401 2.253 2.652) 8.178 9.567 ( -6.179 -5.386 1.251) 8.291 10.172 ( -5.109 4.788 -3.329) 7.753 14.047 ( 8.202 -8.752 2.978) 12.359 ======================= Grid point 597 (220/417) ======================= q-point: (-0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.699 ( -3.385 -3.611 -7.821) 9.255 3.408 ( -10.997 10.429 -3.994) 15.673 3.902 ( -13.931 15.842 2.918) 21.297 4.586 ( 4.451 0.809 -7.735) 8.961 4.860 ( -1.719 -4.792 5.010) 7.142 6.068 ( -6.289 -5.989 4.644) 9.848 8.256 ( -11.443 9.721 -0.585) 15.026 8.480 ( -6.493 -3.732 0.142) 7.490 9.517 ( 7.052 3.072 -3.060) 8.278 9.705 ( 16.348 5.861 5.781) 18.304 10.123 ( -3.240 3.984 -5.672) 7.651 14.113 ( 7.951 -7.836 3.521) 11.705 ======================= Grid point 598 (221/417) ======================= q-point: (-0.19 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.552 ( -6.923 -3.453 -4.750) 9.079 3.259 ( -15.171 7.168 -2.823) 17.015 3.771 ( -17.510 11.565 1.780) 21.060 4.549 ( -4.292 -5.535 -5.082) 8.654 4.878 ( 5.079 0.893 0.571) 5.189 5.834 ( -14.593 -8.044 5.446) 17.531 8.111 ( -11.630 2.205 0.670) 11.856 8.308 ( -10.910 0.875 1.669) 11.072 9.637 ( 4.472 -1.013 -4.972) 6.764 10.069 ( 10.359 4.272 4.407) 12.041 10.236 ( 18.714 9.795 -6.013) 21.961 14.198 ( 8.424 -5.550 2.820) 10.474 ======================= Grid point 599 (222/417) ======================= q-point: (-0.12 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.360 ( -10.761 -2.595 -0.938) 11.109 3.000 ( -20.502 3.710 -0.790) 20.850 3.561 ( -16.565 6.062 0.158) 17.640 4.339 ( -11.313 -5.714 -0.707) 12.694 4.962 ( 0.129 1.660 -8.222) 8.389 5.466 ( -17.903 -8.337 8.578) 21.531 7.907 ( -15.634 2.126 1.899) 15.891 8.156 ( -5.709 -1.054 0.920) 5.878 9.639 ( 1.277 -1.941 -3.056) 3.839 10.274 ( 12.735 1.475 -10.634) 16.656 10.780 ( 27.418 11.391 6.499) 30.393 14.309 ( 8.871 -3.622 -0.051) 9.582 ======================= Grid point 606 (223/417) ======================= q-point: ( 0.31 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( 0.000 11.602 16.283) 19.994 1.970 ( -0.000 22.470 6.771) 23.468 2.993 ( -0.000 5.605 -3.906) 6.832 3.522 ( -0.000 44.302 1.732) 44.336 3.590 ( -0.000 20.156 0.003) 20.156 5.335 ( -0.000 -0.293 -4.825) 4.833 7.134 ( -0.000 13.340 1.252) 13.399 8.413 ( 0.000 -12.259 3.655) 12.792 9.873 ( 0.000 -7.222 -0.875) 7.275 10.110 ( -0.000 3.569 -26.038) 26.281 12.428 ( 0.000 -28.523 15.115) 32.280 14.268 ( -0.000 6.166 -17.107) 18.185 ======================= Grid point 607 (224/417) ======================= q-point: ( 0.38 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.115 ( 1.998 9.682 11.793) 15.389 2.305 ( 10.375 20.608 5.970) 23.832 3.074 ( 3.671 7.255 -4.304) 9.200 3.820 ( 5.290 17.624 -2.963) 18.638 4.016 ( 6.997 36.655 1.483) 37.347 5.326 ( -0.801 3.507 -2.874) 4.604 7.346 ( 7.790 14.820 1.471) 16.807 8.285 ( -3.395 -9.690 2.697) 10.616 9.716 ( -7.371 -4.776 -4.504) 9.870 10.067 ( 2.025 -3.700 -19.000) 19.462 12.167 ( -1.865 -30.999 16.083) 34.973 14.234 ( -4.176 4.409 -15.532) 16.677 ======================= Grid point 608 (225/417) ======================= q-point: ( 0.44 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.286 ( 4.163 7.471 6.880) 10.977 2.737 ( 13.754 17.815 5.633) 23.201 3.237 ( 5.893 11.758 -4.903) 14.036 4.082 ( 8.590 11.321 -1.540) 14.295 4.451 ( 7.380 23.034 -3.969) 24.511 5.388 ( 1.219 10.511 1.588) 10.700 7.694 ( 11.898 17.418 2.595) 21.253 8.134 ( -5.289 -4.554 0.289) 6.986 9.552 ( -3.731 -4.143 -5.846) 8.078 9.957 ( -2.279 -6.682 -13.199) 14.968 11.845 ( -4.708 -32.697 14.870) 36.226 14.110 ( -8.145 2.606 -13.044) 15.598 ======================= Grid point 609 (226/417) ======================= q-point: ( 0.50 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.452 ( 5.809 5.012 2.469) 8.060 3.132 ( 10.873 13.485 4.139) 17.810 3.482 ( 6.297 18.919 -4.115) 20.360 4.315 ( 9.364 4.432 -2.882) 10.753 4.684 ( 2.890 10.486 -3.930) 11.566 5.596 ( 5.611 14.766 4.558) 16.441 7.970 ( -0.855 2.654 1.048) 2.979 8.157 ( 7.323 18.426 1.610) 19.893 9.464 ( 0.791 -5.003 -7.735) 9.246 9.796 ( -4.149 -4.644 -7.511) 9.757 11.440 ( -9.771 -31.870 10.779) 35.033 13.946 ( -7.337 0.190 -8.902) 11.537 ======================= Grid point 610 (227/417) ======================= q-point: ( 0.56 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.596 ( 5.977 2.550 -1.472) 6.663 3.407 ( 5.596 12.348 0.445) 13.564 3.782 ( 4.624 21.460 -0.239) 21.954 4.453 ( 5.056 1.441 -7.486) 9.148 4.799 ( 2.639 5.567 2.345) 6.591 5.846 ( 6.282 9.474 4.297) 12.153 7.985 ( 2.638 2.062 -0.906) 3.469 8.485 ( 1.724 24.026 3.803) 24.386 9.379 ( -1.534 -6.528 -9.133) 11.330 9.739 ( 2.367 0.536 -1.988) 3.137 10.952 ( -15.168 -26.124 5.093) 30.635 13.824 ( -1.816 -3.757 -4.143) 5.880 ======================= Grid point 611 (228/417) ======================= q-point: ( 0.62 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.692 ( 4.450 0.503 -4.723) 6.509 3.590 ( 0.679 14.084 -2.327) 14.291 4.038 ( 1.090 17.854 3.680) 18.262 4.492 ( 0.772 3.424 -8.703) 9.384 4.899 ( 1.900 2.923 4.128) 5.403 6.013 ( 5.090 1.311 4.013) 6.613 8.101 ( 7.999 2.254 -1.843) 8.513 8.708 ( -5.266 24.425 3.846) 25.281 9.259 ( -1.259 -4.817 -5.061) 7.100 9.795 ( 0.793 -1.058 0.537) 1.427 10.487 ( -13.837 -13.095 -0.838) 19.069 13.781 ( 4.406 -7.934 -0.564) 9.093 ======================= Grid point 612 (229/417) ======================= q-point: ( 0.69 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.726 ( 1.669 -0.734 -6.404) 6.658 3.694 ( -4.445 14.879 -3.977) 16.030 4.199 ( -2.213 13.512 5.639) 14.808 4.512 ( -0.111 4.778 -6.676) 8.211 4.929 ( -2.350 1.389 2.204) 3.509 6.083 ( 3.700 -4.973 4.183) 7.478 8.252 ( 8.051 -0.957 -3.069) 8.670 8.807 ( -10.634 20.203 2.295) 22.946 9.269 ( 6.907 0.765 1.349) 7.078 9.668 ( -9.898 -4.823 1.794) 11.156 10.275 ( -4.565 1.003 -5.103) 6.920 13.805 ( 8.409 -10.203 1.309) 13.286 ======================= Grid point 613 (230/417) ======================= q-point: (-0.25 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.697 ( -1.532 -0.931 -5.844) 6.113 3.698 ( -9.882 13.306 -4.426) 17.155 4.274 ( -6.386 12.258 4.555) 14.553 4.532 ( -0.135 2.956 -4.555) 5.432 4.869 ( -4.306 -1.293 1.062) 4.620 6.070 ( 0.290 -7.571 4.225) 8.675 8.288 ( 0.813 -6.134 -2.750) 6.771 8.781 ( -12.184 13.498 2.441) 18.346 9.500 ( 8.643 -0.642 0.795) 8.703 9.530 ( 1.680 10.316 3.237) 10.941 10.197 ( -4.713 0.665 -6.147) 7.775 13.872 ( 10.078 -9.680 1.738) 14.082 ======================= Grid point 614 (231/417) ======================= q-point: (-0.19 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.621 ( -4.626 -0.211 -3.445) 5.772 3.587 ( -14.304 9.283 -3.512) 17.410 4.211 ( -16.140 10.382 1.368) 19.239 4.526 ( -0.904 -0.835 -3.365) 3.583 4.818 ( 1.241 -1.555 1.048) 2.249 5.960 ( -6.375 -7.228 4.157) 10.496 8.175 ( -4.047 -6.858 -0.960) 8.021 8.662 ( -15.934 9.078 3.196) 18.614 9.555 ( 4.338 4.030 -6.679) 8.926 9.908 ( 16.642 7.295 10.094) 20.786 10.102 ( -0.180 0.256 -8.338) 8.344 13.970 ( 10.565 -7.271 0.727) 12.846 ======================= Grid point 615 (232/417) ======================= q-point: (-0.12 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.511 ( -7.819 1.041 -0.300) 7.894 3.369 ( -17.765 4.659 -1.656) 18.440 3.947 ( -20.723 3.216 -1.384) 21.017 4.450 ( -6.238 -0.649 -0.035) 6.271 4.885 ( 5.895 0.678 -3.459) 6.869 5.724 ( -15.080 -5.723 5.012) 16.891 8.043 ( -4.401 -3.798 0.001) 5.814 8.428 ( -18.947 3.176 2.557) 19.380 9.620 ( 0.427 2.887 -5.392) 6.131 10.034 ( 8.485 -4.432 -9.148) 13.241 10.465 ( 23.995 10.235 9.264) 27.683 14.091 ( 10.388 -5.000 -1.990) 11.699 ======================= Grid point 623 (233/417) ======================= q-point: ( 0.38 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.220 ( 0.000 7.316 9.191) 11.747 2.424 ( -0.000 18.686 5.018) 19.348 3.087 ( -0.000 6.503 -4.360) 7.829 3.942 ( -0.000 16.524 -4.043) 17.011 4.312 ( -0.000 31.000 0.162) 31.001 5.385 ( -0.000 8.742 -0.843) 8.783 7.409 ( -0.000 12.793 0.460) 12.801 8.243 ( 0.000 -6.057 2.037) 6.390 9.756 ( 0.000 -3.444 -0.198) 3.449 9.901 ( -0.000 -7.458 -21.205) 22.478 11.912 ( 0.000 -33.365 15.880) 36.951 14.273 ( -0.000 4.826 -13.439) 14.279 ======================= Grid point 624 (234/417) ======================= q-point: ( 0.44 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( 1.701 4.949 5.804) 7.815 2.705 ( 9.827 15.357 4.555) 18.793 3.203 ( 6.759 8.707 -4.465) 11.892 4.096 ( 2.597 11.423 -3.769) 12.305 4.591 ( 1.817 20.590 -2.113) 20.777 5.509 ( 0.477 15.299 1.717) 15.402 7.634 ( 11.323 12.318 0.600) 16.742 8.175 ( -3.341 -2.235 -0.217) 4.025 9.605 ( -7.864 -3.668 -6.793) 11.021 9.837 ( 3.295 -6.213 -10.226) 12.411 11.606 ( -1.703 -34.873 14.372) 37.757 14.228 ( -5.646 3.990 -11.328) 13.271 ======================= Grid point 625 (235/417) ======================= q-point: ( 0.50 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.421 ( 3.637 2.990 2.879) 5.519 3.053 ( 12.671 10.541 3.615) 16.874 3.473 ( 12.348 14.518 -3.917) 19.457 4.227 ( 4.433 5.061 -3.366) 7.523 4.763 ( 0.401 11.846 -1.903) 12.005 5.708 ( 1.904 17.286 2.765) 17.609 8.004 ( 8.982 9.486 1.715) 13.176 8.126 ( 5.081 5.582 -2.123) 7.841 9.432 ( -4.537 -4.300 -6.956) 9.351 9.783 ( -1.347 -1.917 -5.860) 6.311 11.253 ( -3.838 -34.697 11.502) 36.755 14.087 ( -9.938 2.371 -8.851) 13.517 ======================= Grid point 626 (236/417) ======================= q-point: ( 0.56 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.523 ( 4.733 1.531 0.475) 4.997 3.365 ( 11.399 8.647 1.547) 14.391 3.852 ( 11.252 18.651 -1.617) 21.842 4.335 ( 6.431 1.097 -4.456) 7.900 4.848 ( -0.348 6.596 1.007) 6.681 5.902 ( 1.451 12.362 2.438) 12.684 8.014 ( -2.577 3.561 -1.318) 4.589 8.549 ( 16.923 16.271 2.247) 23.583 9.314 ( -1.630 -4.402 -6.791) 8.255 9.738 ( -1.686 2.724 -3.486) 4.735 10.863 ( -6.301 -31.206 7.734) 32.762 13.894 ( -10.029 -0.363 -5.843) 11.612 ======================= Grid point 627 (237/417) ======================= q-point: ( 0.62 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.612 ( 4.345 0.588 -1.632) 4.678 3.634 ( 8.357 10.259 -0.569) 13.245 4.153 ( 3.883 12.581 3.374) 13.592 4.460 ( 6.045 6.030 -8.751) 12.226 4.916 ( 2.167 3.749 4.085) 5.952 6.000 ( -0.491 3.606 2.148) 4.227 8.045 ( 2.060 4.355 -1.005) 4.921 8.932 ( 6.384 15.779 4.326) 17.562 9.232 ( -1.937 -2.305 -5.904) 6.627 9.775 ( 2.166 4.630 -2.332) 5.619 10.491 ( -6.546 -21.984 3.370) 23.184 13.717 ( -5.471 -4.206 -2.770) 7.436 ======================= Grid point 628 (238/417) ======================= q-point: ( 0.69 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.670 ( 2.714 0.300 -3.094) 4.126 3.846 ( 2.965 12.811 -2.658) 13.415 4.289 ( 2.173 3.964 5.280) 6.951 4.545 ( -0.594 4.845 -5.825) 7.600 5.038 ( 1.176 10.546 1.440) 10.709 5.984 ( 0.205 -6.420 2.698) 6.967 8.146 ( 4.679 3.059 -1.078) 5.693 9.117 ( -5.891 10.482 1.517) 12.119 9.172 ( 4.152 -0.808 0.015) 4.230 9.802 ( -5.162 2.952 1.070) 6.042 10.289 ( -0.325 -5.448 -2.918) 6.188 13.617 ( 1.551 -7.473 -0.456) 7.646 ======================= Grid point 629 (239/417) ======================= q-point: (-0.25 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.692 ( 0.396 0.815 -3.218) 3.343 3.958 ( -4.732 13.771 -4.278) 15.177 4.359 ( 0.599 2.158 0.894) 2.411 4.537 ( 1.689 -3.821 3.310) 5.330 5.096 ( -11.076 15.638 -2.782) 19.364 5.936 ( 4.642 -11.996 3.605) 13.358 8.219 ( 1.841 -0.577 -1.474) 2.428 9.034 ( -7.225 3.486 0.571) 8.043 9.324 ( 9.354 -0.441 2.105) 9.598 9.732 ( -7.503 9.167 3.465) 12.342 10.253 ( -2.654 1.004 -5.943) 6.585 13.621 ( 7.648 -7.847 0.377) 10.964 ======================= Grid point 630 (240/417) ======================= q-point: (-0.19 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.682 ( -2.168 2.033 -1.841) 3.496 3.909 ( -12.875 9.558 -4.061) 16.541 4.349 ( -0.539 -2.517 -4.545) 5.223 4.583 ( 3.087 -1.313 9.251) 9.840 4.948 ( -16.781 8.647 -4.015) 19.300 5.925 ( 3.235 -7.912 3.208) 9.130 8.183 ( -3.051 -2.372 -1.089) 4.015 8.944 ( -8.559 2.402 2.720) 9.297 9.462 ( 7.805 -1.072 -4.269) 8.961 9.811 ( 4.827 6.145 6.317) 10.048 10.158 ( -6.557 3.261 -4.968) 8.849 13.716 ( 10.564 -5.404 -0.509) 11.877 ======================= Grid point 631 (241/417) ======================= q-point: (-0.12 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.646 ( -4.901 3.576 0.338) 6.077 3.698 ( -16.444 2.756 -2.262) 16.826 4.217 ( -10.432 -5.236 -5.463) 12.887 4.609 ( -7.440 4.711 7.553) 11.601 4.795 ( 0.236 -0.376 -4.195) 4.219 5.872 ( -5.137 -2.835 2.952) 6.569 8.094 ( -4.696 -0.139 -0.876) 4.779 8.752 ( -15.547 -2.238 3.031) 15.997 9.575 ( 7.287 2.274 -8.891) 11.718 9.870 ( 1.188 -8.835 -1.223) 8.998 10.261 ( 12.039 10.540 6.495) 17.269 13.858 ( 10.546 -2.557 -2.767) 11.199 ======================= Grid point 640 (242/417) ======================= q-point: ( 0.44 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.359 ( 0.000 2.473 3.842) 4.569 2.769 ( -0.000 12.454 3.830) 13.029 3.201 ( -0.000 8.015 -4.143) 9.023 4.164 ( -0.000 8.276 -4.002) 9.193 4.754 ( -0.000 15.409 -1.582) 15.490 5.682 ( -0.000 18.302 1.696) 18.380 7.622 ( -0.000 8.022 -0.532) 8.040 8.196 ( -0.000 1.011 -2.022) 2.260 9.595 ( -0.000 -9.814 -13.409) 16.617 9.751 ( -0.000 2.852 0.569) 2.908 11.311 ( 0.000 -35.808 12.630) 37.971 14.289 ( -0.000 4.389 -9.294) 10.278 ======================= Grid point 641 (243/417) ======================= q-point: ( 0.50 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.401 ( 1.900 0.818 2.534) 3.271 2.966 ( 8.508 8.239 2.975) 12.212 3.368 ( 10.560 10.282 -3.412) 15.129 4.225 ( 0.941 4.427 -2.991) 5.425 4.877 ( -0.611 10.843 -1.006) 10.907 5.872 ( 0.442 17.164 1.102) 17.205 7.825 ( 15.231 6.691 -0.320) 16.639 8.177 ( -3.429 3.370 -3.740) 6.091 9.434 ( -3.593 -6.339 -7.644) 10.561 9.795 ( -0.302 4.339 -0.741) 4.412 10.980 ( -1.349 -35.252 10.124) 36.702 14.244 ( -6.770 3.771 -7.431) 10.736 ======================= Grid point 642 (244/417) ======================= q-point: ( 0.56 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.462 ( 3.708 0.193 1.913) 4.177 3.226 ( 12.410 5.539 1.897) 13.721 3.735 ( 18.268 12.904 -2.430) 22.498 4.268 ( 1.685 1.482 -1.717) 2.826 4.940 ( -2.025 6.667 -0.081) 6.968 6.031 ( -0.232 12.909 0.533) 12.922 8.115 ( -3.762 5.157 -2.090) 6.717 8.276 ( 24.573 7.013 -1.351) 25.590 9.308 ( -3.332 -2.730 -4.420) 6.172 9.816 ( -2.614 5.803 -1.303) 6.496 10.637 ( -2.202 -32.306 7.679) 33.279 14.087 ( -11.952 2.356 -5.598) 13.406 ======================= Grid point 643 (245/417) ======================= q-point: ( 0.62 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.540 ( 4.268 0.159 1.188) 4.433 3.514 ( 13.618 5.457 1.056) 14.708 4.172 ( 12.250 12.867 0.808) 17.784 4.327 ( 8.303 1.572 -4.204) 9.438 4.946 ( -1.963 2.052 1.745) 3.333 6.104 ( -3.602 6.853 0.105) 7.743 8.095 ( -2.434 5.158 -1.452) 5.885 8.795 ( 23.005 7.184 0.400) 24.104 9.240 ( -1.820 1.664 -3.826) 4.552 9.819 ( -2.001 4.640 -1.957) 5.419 10.331 ( -1.746 -24.839 6.195) 25.659 13.859 ( -13.267 0.226 -3.607) 13.750 ======================= Grid point 644 (246/417) ======================= q-point: ( 0.69 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.615 ( 3.580 0.501 0.177) 3.619 3.804 ( 12.184 6.632 0.098) 13.873 4.293 ( 1.093 1.022 3.793) 4.078 4.586 ( 4.104 9.399 -7.672) 12.808 5.002 ( 9.465 2.004 4.041) 10.485 6.030 ( -8.476 -0.657 -0.137) 8.503 8.132 ( 1.228 4.265 -0.250) 4.445 9.088 ( 6.473 -0.404 1.162) 6.588 9.257 ( -2.131 6.184 -2.648) 7.056 9.863 ( 3.622 3.398 -3.351) 5.991 10.166 ( 2.685 -11.135 4.946) 12.476 13.636 ( -9.568 -2.018 -1.587) 9.907 ======================= Grid point 645 (247/417) ======================= q-point: ( 0.75 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.674 ( 2.244 1.370 -0.534) 2.683 4.049 ( 6.915 8.361 -1.676) 10.979 4.345 ( 3.813 -0.547 4.651) 6.039 4.536 ( -7.867 -1.787 -3.623) 8.844 5.310 ( 10.912 13.064 0.284) 17.024 5.810 ( -9.260 -10.769 0.584) 14.215 8.196 ( 1.816 1.923 -0.139) 2.648 9.141 ( -0.242 0.310 -1.144) 1.210 9.217 ( -1.245 -0.855 1.309) 1.998 9.899 ( -3.013 2.228 0.447) 3.774 10.233 ( 6.133 1.391 -0.650) 6.323 13.507 ( -1.654 -2.577 -0.228) 3.071 ======================= Grid point 646 (248/417) ======================= q-point: (-0.19 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.718 ( 0.557 2.815 -0.401) 2.898 4.158 ( -4.563 7.720 -3.476) 9.618 4.334 ( -6.413 -6.222 -3.041) 9.439 4.465 ( 8.322 -1.732 6.358) 10.615 5.366 ( -20.516 5.750 -2.264) 21.426 5.715 ( 13.166 -6.458 2.316) 14.846 8.215 ( -0.991 0.895 -0.407) 1.396 9.078 ( -5.701 1.087 2.076) 6.163 9.277 ( 8.035 -2.903 -2.293) 8.846 9.832 ( -3.393 -4.263 1.412) 5.628 10.300 ( -2.463 6.153 -1.067) 6.713 13.532 ( 5.991 -0.293 -0.442) 6.014 ======================= Grid point 647 (249/417) ======================= q-point: (-0.12 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.746 ( -1.556 4.529 0.461) 4.811 3.967 ( -14.927 -3.015 -2.243) 15.393 4.237 ( -1.828 -4.232 -3.821) 5.988 4.616 ( 6.670 0.798 4.730) 8.216 4.995 ( -18.433 -4.246 -0.988) 18.942 5.876 ( 4.362 2.373 1.463) 5.176 8.192 ( -3.827 3.983 -0.741) 5.573 8.948 ( -10.618 -4.468 3.081) 11.925 9.384 ( 9.131 -3.079 -6.982) 11.899 9.743 ( 2.172 -9.364 2.094) 9.838 10.310 ( -2.373 6.879 1.963) 7.537 13.678 ( 8.890 2.883 -1.976) 9.552 ======================= Grid point 657 (250/417) ======================= q-point: ( 0.50 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.393 ( 0.000 -0.551 2.768) 2.822 2.968 ( 0.000 5.750 2.331) 6.205 3.351 ( -0.000 8.689 -2.689) 9.096 4.246 ( -0.000 2.812 -1.779) 3.328 4.981 ( -0.000 8.767 -0.738) 8.798 6.028 ( -0.000 14.211 -0.351) 14.215 7.725 ( -0.000 3.101 -0.752) 3.190 8.240 ( -0.000 5.285 -4.508) 6.947 9.385 ( -0.000 -4.171 -5.060) 6.557 9.859 ( -0.000 6.608 0.621) 6.637 10.672 ( 0.000 -34.033 7.638) 34.879 14.323 ( -0.000 3.966 -5.912) 7.119 ======================= Grid point 658 (251/417) ======================= q-point: ( 0.56 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.416 ( 2.228 -0.649 3.785) 4.440 3.094 ( 8.002 3.556 1.798) 8.939 3.543 ( 13.084 8.221 -2.008) 15.582 4.268 ( 0.291 1.646 -0.179) 1.681 5.037 ( -1.770 5.840 -0.786) 6.152 6.150 ( 0.080 10.285 -1.065) 10.340 7.911 ( 18.211 2.618 -0.512) 18.405 8.248 ( -3.958 6.072 -3.475) 8.038 9.332 ( -2.144 0.188 -2.486) 3.288 9.913 ( -1.652 5.814 -0.060) 6.045 10.364 ( -0.251 -30.348 5.399) 30.825 14.276 ( -7.591 3.303 -4.627) 9.484 ======================= Grid point 659 (252/417) ======================= q-point: ( 0.62 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.479 ( 3.677 -0.164 4.236) 5.611 3.317 ( 13.216 2.561 1.703) 13.569 3.930 ( 22.180 7.595 -2.059) 23.535 4.288 ( 0.200 1.050 1.352) 1.724 5.027 ( -3.851 2.309 -0.679) 4.541 6.218 ( -1.731 6.103 -1.350) 6.486 8.215 ( -5.241 5.599 -1.190) 7.761 8.365 ( 29.038 3.160 -0.664) 29.217 9.306 ( -2.636 4.937 -1.976) 5.935 9.876 ( -4.216 -5.395 -1.067) 6.930 10.142 ( 1.220 -15.613 4.840) 16.392 14.104 ( -13.404 2.278 -3.341) 14.001 ======================= Grid point 660 (253/417) ======================= q-point: ( 0.69 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.559 ( 3.861 0.280 3.429) 5.171 3.600 ( 15.508 2.114 1.857) 15.762 4.303 ( 0.249 0.271 2.104) 2.136 4.407 ( 23.140 7.582 -3.219) 24.563 4.954 ( -3.967 -1.906 0.655) 4.450 6.182 ( -6.852 1.671 -1.829) 7.286 8.188 ( -3.002 3.889 0.812) 4.980 8.859 ( 21.426 0.484 -0.930) 21.451 9.351 ( -0.435 11.387 -3.375) 11.884 9.715 ( 2.251 -13.798 -1.172) 14.030 10.099 ( 0.307 -2.875 5.453) 6.172 13.858 ( -15.313 1.457 -1.815) 15.489 ======================= Grid point 661 (254/417) ======================= q-point: (-0.25 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.638 ( 3.470 0.890 1.981) 4.094 3.893 ( 15.024 1.325 2.046) 15.220 4.313 ( 0.172 -0.923 3.391) 3.519 4.668 ( -4.351 4.111 -7.586) 9.663 5.025 ( 20.255 -3.499 4.245) 20.989 5.998 ( -13.431 -1.189 -2.326) 13.683 8.192 ( 0.067 0.905 1.125) 1.445 9.056 ( 5.991 -2.070 -1.309) 6.472 9.347 ( -8.007 3.578 -0.302) 8.775 9.827 ( 12.791 0.331 -5.946) 14.109 10.118 ( 4.370 -2.033 7.260) 8.714 13.627 ( -11.644 1.888 -0.227) 11.798 ======================= Grid point 662 (255/417) ======================= q-point: (-0.19 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.712 ( 2.952 2.000 0.733) 3.640 4.132 ( 10.397 -1.371 1.844) 10.648 4.298 ( -0.777 -6.561 3.740) 7.592 4.526 ( -8.636 5.110 -5.402) 11.396 5.342 ( 16.212 -13.935 2.322) 21.504 5.740 ( -13.095 7.426 -2.552) 15.269 8.211 ( 1.730 -0.540 0.497) 1.879 9.103 ( 3.757 -3.245 -2.792) 5.695 9.250 ( -6.683 3.544 2.938) 8.115 9.848 ( -4.092 -5.117 -1.705) 6.770 10.288 ( 8.770 1.823 1.438) 9.072 13.527 ( -3.026 4.489 0.572) 5.444 ======================= Grid point 663 (256/417) ======================= q-point: (-0.12 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1034 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.785 ( 2.038 3.530 -0.000) 4.076 4.095 ( -7.889 -13.664 -0.000) 15.778 4.218 ( -0.737 -1.276 -0.000) 1.474 4.555 ( 3.579 6.199 -0.000) 7.158 5.153 ( -10.305 -17.849 -0.000) 20.610 5.836 ( 5.747 9.955 -0.000) 11.495 8.254 ( 1.841 3.189 -0.000) 3.682 9.050 ( -4.830 -8.365 -0.000) 9.660 9.236 ( 1.255 2.174 -0.000) 2.510 9.675 ( -4.845 -8.392 0.000) 9.690 10.382 ( 0.507 0.877 -0.000) 1.013 13.610 ( 4.508 7.808 0.000) 9.016 ======================= Grid point 675 (257/417) ======================= q-point: ( 0.56 0.56 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.406 ( 0.000 -0.499 6.295) 6.315 3.055 ( 0.000 2.045 1.592) 2.592 3.485 ( -0.000 5.558 -1.476) 5.751 4.283 ( 0.000 1.531 1.304) 2.011 5.100 ( -0.000 3.862 -1.396) 4.107 6.229 ( -0.000 6.847 -1.801) 7.080 7.758 ( -0.000 1.009 -0.028) 1.009 8.344 ( -0.000 6.980 -1.194) 7.081 9.365 ( -0.000 3.864 -1.435) 4.122 9.984 ( -0.000 4.800 -0.119) 4.802 10.086 ( 0.000 -26.946 2.558) 27.067 14.362 ( -0.000 3.008 -3.774) 4.826 ======================= Grid point 676 (258/417) ======================= q-point: ( 0.62 0.56 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.447 ( 2.001 0.013 7.760) 8.014 3.148 ( 8.238 0.877 1.732) 8.464 3.651 ( 14.049 3.437 -1.344) 14.525 4.307 ( 0.069 1.704 2.844) 3.316 5.099 ( -2.490 1.279 -1.975) 3.426 6.274 ( -0.181 3.391 -2.028) 3.955 7.941 ( 19.136 0.891 -0.169) 19.157 8.373 ( -4.574 6.456 2.245) 8.224 9.400 ( -1.555 7.001 -1.525) 7.332 9.817 ( -3.425 -17.895 -0.303) 18.222 10.045 ( 2.360 0.007 0.678) 2.455 14.308 ( -7.870 2.333 -2.994) 8.737 ======================= Grid point 677 (259/417) ======================= q-point: (-0.31 -0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.517 ( 2.959 -0.009 6.848) 7.460 3.355 ( 13.881 -0.188 2.312) 14.073 4.002 ( 23.172 0.922 -2.017) 23.278 4.338 ( 0.065 2.108 4.505) 4.974 5.026 ( -5.041 -1.256 -2.369) 5.710 6.262 ( -2.575 -0.424 -2.603) 3.686 8.286 ( 2.863 0.748 0.278) 2.973 8.430 ( 19.295 2.928 2.657) 19.696 9.452 ( 0.663 6.759 -1.818) 7.031 9.611 ( -4.820 -7.079 -1.328) 8.666 10.079 ( 1.600 -1.389 2.196) 3.052 14.130 ( -13.588 2.034 -1.927) 13.874 ======================= Grid point 678 (260/417) ======================= q-point: (-0.25 -0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.590 ( 3.456 -0.248 4.413) 5.611 3.620 ( 16.197 -1.920 3.022) 16.588 4.307 ( 4.750 -1.430 1.314) 5.131 4.482 ( 19.464 1.047 0.379) 19.496 4.895 ( -5.990 -3.197 -1.469) 6.947 6.149 ( -7.108 -3.282 -3.286) 8.491 8.232 ( -4.178 -1.347 2.584) 5.094 8.830 ( 18.527 -2.592 -2.229) 18.840 9.463 ( -0.699 -6.339 2.278) 6.772 9.643 ( 5.522 17.837 -5.358) 19.426 10.080 ( 0.342 -4.192 4.939) 6.487 13.894 ( -14.993 2.913 -0.399) 15.278 ======================= Grid point 679 (261/417) ======================= q-point: (-0.19 -0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.663 ( 4.098 -0.004 1.776) 4.466 3.869 ( 14.736 -5.956 3.611) 16.299 4.305 ( -1.965 -2.551 4.045) 5.171 4.676 ( -4.079 2.540 -8.846) 10.067 4.904 ( 17.854 -10.634 4.688) 21.304 5.958 ( -9.102 -1.361 -3.228) 9.753 8.171 ( -0.044 -3.558 1.289) 3.784 8.976 ( 6.088 -5.491 -3.501) 8.914 9.415 ( -4.510 3.099 4.984) 7.402 9.874 ( -0.861 6.224 -6.038) 8.714 10.109 ( 10.070 -0.999 4.683) 11.150 13.707 ( -10.453 5.614 1.220) 11.928 ======================= Grid point 692 (262/417) ======================= q-point: (-0.38 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.463 ( 0.000 0.235 10.378) 10.381 3.081 ( 0.000 -0.453 1.578) 1.642 3.541 ( -0.000 0.760 -0.934) 1.204 4.339 ( 0.000 2.364 4.476) 5.062 5.117 ( -0.000 -0.728 -2.867) 2.958 6.286 ( -0.000 0.147 -2.317) 2.321 7.776 ( 0.000 0.595 0.880) 1.062 8.490 ( 0.000 4.999 5.856) 7.700 9.467 ( -0.000 2.961 -1.077) 3.151 9.707 ( -0.000 -5.564 -2.465) 6.085 10.026 ( -0.000 -0.478 -0.955) 1.068 14.388 ( -0.000 1.731 -2.760) 3.258 ======================= Grid point 693 (263/417) ======================= q-point: (-0.31 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.507 ( 1.036 -0.510 9.835) 9.903 3.152 ( 8.590 -1.796 2.008) 9.002 3.659 ( 13.970 -1.750 -0.972) 14.113 4.382 ( -0.180 2.870 6.188) 6.824 5.065 ( -2.650 -2.691 -3.646) 5.250 6.256 ( -0.591 -3.886 -3.069) 4.987 7.948 ( 17.872 -0.286 0.279) 17.876 8.494 ( -5.094 0.386 7.217) 8.842 9.450 ( -0.911 -2.238 1.044) 2.632 9.719 ( -2.515 13.230 -4.828) 14.306 10.026 ( 2.217 -2.917 -0.143) 3.666 14.328 ( -7.506 1.482 -2.270) 7.981 ======================= Grid point 694 (264/417) ======================= q-point: (-0.25 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.549 ( 2.018 -1.879 6.600) 7.153 3.336 ( 13.986 -3.658 2.831) 14.731 3.946 ( 21.857 -5.248 -1.307) 22.516 4.428 ( -0.290 2.522 7.332) 7.759 4.955 ( -4.726 -3.268 -4.068) 7.040 6.160 ( -2.388 -7.780 -4.030) 9.081 8.249 ( 8.319 -4.287 0.212) 9.361 8.453 ( 9.790 -4.043 2.598) 10.906 9.436 ( -1.119 1.923 4.250) 4.797 9.829 ( -2.159 20.532 -5.488) 21.362 10.035 ( 1.713 -3.736 2.447) 4.783 14.162 ( -12.379 2.312 -1.126) 12.643 ======================= Grid point 695 (265/417) ======================= q-point: (-0.19 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.589 ( 3.619 -2.680 2.882) 5.346 3.553 ( 15.145 -7.071 3.175) 17.013 4.211 ( 13.835 -9.825 1.096) 17.004 4.495 ( 6.361 -0.552 2.972) 7.043 4.833 ( -4.734 -0.697 -2.107) 5.228 6.003 ( -3.658 -8.991 -4.233) 10.589 8.163 ( -3.814 -6.141 1.364) 7.357 8.696 ( 16.407 -9.188 -3.491) 19.126 9.486 ( 0.784 4.555 7.138) 8.504 9.996 ( -4.040 4.375 -3.008) 6.672 10.033 ( 3.168 13.864 1.054) 14.260 13.970 ( -12.601 4.646 0.756) 13.451 ======================= Grid point 709 (266/417) ======================= q-point: (-0.31 -0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.526 ( 0.000 -1.861 10.715) 10.875 3.052 ( 0.000 -3.698 1.414) 3.960 3.506 ( 0.000 -3.574 -0.588) 3.622 4.440 ( 0.000 3.159 8.252) 8.836 5.038 ( -0.000 -4.306 -4.467) 6.204 6.188 ( -0.000 -8.297 -3.957) 9.192 7.789 ( 0.000 -0.378 1.178) 1.237 8.537 ( 0.000 -6.371 6.378) 9.015 9.494 ( 0.000 7.085 5.736) 9.116 9.890 ( -0.000 19.733 -6.861) 20.892 9.956 ( 0.000 -5.299 -1.212) 5.436 14.398 ( -0.000 1.152 -2.509) 2.761 ======================= Grid point 710 (267/417) ======================= q-point: (-0.25 -0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.527 ( 0.026 -4.148 7.968) 8.983 3.093 ( 9.118 -5.844 1.900) 10.996 3.575 ( 12.806 -5.824 -0.623) 14.082 4.489 ( -0.750 1.377 9.372) 9.502 4.960 ( -1.943 -4.000 -4.515) 6.337 6.063 ( -0.429 -12.888 -5.091) 13.864 7.922 ( 15.129 -2.882 0.113) 15.402 8.425 ( -4.152 -9.636 3.030) 10.921 9.577 ( -5.246 10.309 8.369) 14.277 9.945 ( 4.244 -2.482 3.134) 5.830 10.072 ( -1.209 23.217 -8.706) 24.825 14.344 ( -6.558 1.792 -2.097) 7.114 ======================= Grid point 711 (268/417) ======================= q-point: (-0.19 -0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.509 ( 1.870 -5.889 3.834) 7.272 3.233 ( 13.615 -8.752 2.354) 16.356 3.783 ( 18.747 -9.968 -0.615) 21.241 4.489 ( -1.339 -3.462 6.721) 7.678 4.888 ( -2.394 0.532 -1.472) 2.860 5.891 ( -0.273 -15.930 -5.658) 16.907 8.120 ( 6.615 -8.240 -0.943) 10.609 8.319 ( 8.147 -8.683 -0.439) 11.915 9.581 ( -3.810 4.605 6.230) 8.634 10.030 ( 0.450 2.939 8.870) 9.355 10.265 ( -1.890 26.776 -8.746) 28.231 14.215 ( -10.163 3.753 -0.586) 10.849 ======================= Grid point 726 (269/417) ======================= q-point: (-0.25 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.502 ( 0.000 -7.090 7.485) 10.310 2.936 ( 0.000 -9.038 0.766) 9.071 3.405 ( 0.000 -5.826 -0.275) 5.833 4.521 ( 0.000 -3.729 8.927) 9.674 4.929 ( -0.000 -2.104 -2.411) 3.200 5.892 ( -0.000 -17.599 -6.470) 18.750 7.758 ( 0.000 -3.833 0.548) 3.872 8.361 ( 0.000 -10.984 0.422) 10.992 9.828 ( 0.000 -5.941 -0.591) 5.970 9.856 ( 0.000 18.740 15.905) 24.579 10.306 ( -0.000 26.716 -9.131) 28.233 14.410 ( -0.000 2.080 -2.670) 3.385 ======================= Grid point 727 (270/417) ======================= q-point: (-0.19 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.431 ( -0.089 -9.691 4.233) 10.576 2.925 ( 9.904 -12.290 1.046) 15.819 3.435 ( 10.220 -7.377 -0.384) 12.610 4.461 ( -0.926 -10.650 4.464) 11.585 4.922 ( -0.152 0.985 3.391) 3.535 5.679 ( 0.384 -20.230 -7.682) 21.643 7.814 ( 11.506 -8.068 -0.698) 14.070 8.236 ( -2.219 -8.144 -0.956) 8.495 9.710 ( -5.847 -1.275 2.173) 6.367 10.130 ( 1.794 14.620 13.963) 20.295 10.547 ( -1.272 29.247 -7.800) 30.296 14.381 ( -5.142 3.542 -2.120) 6.594 ======================= Grid point 743 (271/417) ======================= q-point: (-0.19 -0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.332 ( 0.000 -13.580 3.313) 13.979 2.689 ( 0.000 -15.954 0.036) 15.954 3.283 ( 0.000 -6.005 -0.304) 6.013 4.339 ( 0.000 -16.301 1.108) 16.338 4.917 ( 0.000 -7.697 8.551) 11.505 5.456 ( -0.000 -15.883 -9.400) 18.456 7.625 ( 0.000 -9.594 -0.411) 9.603 8.181 ( -0.000 -5.102 -2.051) 5.499 9.747 ( 0.000 -1.419 0.420) 1.479 10.333 ( 0.000 16.573 13.457) 21.348 10.842 ( -0.000 31.436 -4.124) 31.706 14.453 ( -0.000 4.164 -2.916) 5.084 ======================= Grid point 830 (272/417) ======================= q-point: ( 0.19 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( 0.000 -0.000 21.574) 21.574 0.708 ( 0.000 -0.000 21.574) 21.574 1.394 ( 0.000 -0.000 43.664) 43.664 2.818 ( -0.000 0.000 -3.457) 3.457 2.818 ( -0.000 0.000 -3.457) 3.457 6.299 ( -0.000 0.000 -13.130) 13.130 6.688 ( 0.000 -0.000 1.685) 1.685 6.688 ( 0.000 -0.000 1.685) 1.685 10.198 ( -0.000 0.000 -1.073) 1.073 10.198 ( -0.000 0.000 -1.073) 1.073 13.268 ( 0.000 -0.000 3.266) 3.266 13.669 ( -0.000 0.000 -1.712) 1.712 ======================= Grid point 831 (273/417) ======================= q-point: ( 0.25 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( 16.177 9.340 16.105) 24.664 1.182 ( 20.159 11.639 20.407) 30.956 1.754 ( 22.818 13.174 29.734) 39.728 2.813 ( 1.221 0.705 -3.958) 4.201 2.949 ( 11.160 6.443 -3.046) 13.242 5.610 ( -15.308 -8.838 -0.121) 17.677 6.751 ( 4.557 2.631 1.786) 5.557 8.163 ( 59.507 34.356 -32.395) 75.966 9.919 ( -17.401 -10.046 -4.974) 20.699 10.155 ( -3.436 -1.984 -1.077) 4.111 13.194 ( -7.369 -4.254 5.501) 10.132 13.947 ( 17.092 9.868 -15.064) 24.828 ======================= Grid point 832 (274/417) ======================= q-point: ( 0.31 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( 21.007 12.128 10.592) 26.469 1.579 ( 10.520 6.074 22.568) 25.629 2.591 ( 39.189 22.626 11.165) 46.609 2.846 ( 2.814 1.624 -4.310) 5.398 3.284 ( 17.873 10.319 -1.797) 20.716 5.394 ( -5.362 -3.095 -5.037) 7.981 6.906 ( 8.229 4.751 1.629) 9.641 8.744 ( -4.168 -2.407 -1.325) 4.992 9.739 ( 11.183 6.457 -27.571) 30.445 10.042 ( -5.707 -3.295 -1.027) 6.670 12.996 ( -11.700 -6.755 10.994) 17.418 14.135 ( 3.938 2.274 -19.974) 20.485 ======================= Grid point 833 (275/417) ======================= q-point: ( 0.38 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( 11.245 6.492 14.649) 19.575 1.989 ( 20.996 12.122 7.513) 25.382 2.910 ( 3.916 2.261 -4.571) 6.430 3.506 ( 34.910 20.155 6.800) 40.880 3.738 ( 22.314 12.883 -3.371) 25.985 5.282 ( -2.887 -1.667 -5.305) 6.266 7.131 ( 10.571 6.103 1.241) 12.269 8.418 ( -16.860 -9.734 3.066) 19.708 9.903 ( -5.668 -3.272 -0.864) 6.601 9.946 ( 8.794 5.077 -24.174) 26.220 12.728 ( -16.046 -9.264 16.124) 24.562 14.050 ( -3.663 -2.115 -19.799) 20.246 ======================= Grid point 834 (276/417) ======================= q-point: ( 0.44 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( 12.457 7.192 6.502) 15.785 2.472 ( 18.505 10.684 5.904) 22.168 2.992 ( 4.480 2.586 -4.865) 7.101 4.111 ( 17.806 10.280 7.237) 21.797 4.325 ( 25.359 14.641 -11.007) 31.283 5.255 ( 2.941 1.698 0.595) 3.448 7.383 ( 10.398 6.003 0.656) 12.025 8.115 ( -8.958 -5.172 0.934) 10.386 9.797 ( -2.880 -1.663 -0.500) 3.363 9.931 ( -3.332 -1.924 -18.172) 18.575 12.311 ( -25.320 -14.618 14.078) 32.450 13.928 ( -0.570 -0.329 -13.705) 13.721 ======================= Grid point 835 (277/417) ======================= q-point: ( 0.50 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.494 ( 11.870 6.853 -0.451) 13.714 2.868 ( 13.698 7.909 5.280) 16.675 3.085 ( 5.226 3.017 -5.314) 8.041 4.461 ( 9.929 5.733 1.812) 11.607 4.648 ( 8.125 4.691 -11.133) 14.559 5.489 ( 14.674 8.472 6.927) 18.305 7.595 ( 7.530 4.348 -0.082) 8.696 8.030 ( 1.618 0.934 -0.737) 2.008 9.724 ( -8.726 -5.038 -13.243) 16.640 9.779 ( 1.487 0.859 0.103) 1.720 11.653 ( -33.707 -19.461 6.840) 39.518 13.949 ( 4.476 2.584 -4.602) 6.920 ======================= Grid point 836 (278/417) ======================= q-point: ( 0.56 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.729 ( 9.238 5.333 -6.640) 12.565 3.090 ( 4.423 2.554 0.674) 5.152 3.239 ( 9.005 5.199 -1.268) 10.475 4.525 ( -0.602 -0.348 -8.924) 8.951 4.822 ( 7.501 4.330 2.873) 9.125 5.846 ( 12.713 7.340 5.629) 15.722 7.726 ( 4.029 2.326 -0.777) 4.717 8.172 ( 10.572 6.104 -2.677) 12.498 9.493 ( -7.287 -4.207 -7.781) 11.461 9.853 ( 4.247 2.452 0.768) 4.963 10.858 ( -35.076 -20.251 2.338) 40.570 14.067 ( 5.576 3.219 0.880) 6.499 ======================= Grid point 837 (279/417) ======================= q-point: ( 0.62 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.864 ( 4.823 2.785 -11.713) 12.970 3.148 ( 1.450 0.837 -2.066) 2.659 3.416 ( 5.638 3.255 1.239) 6.627 4.483 ( 0.224 0.129 -6.557) 6.562 4.961 ( 3.180 1.836 4.017) 5.442 6.088 ( 6.601 3.811 4.502) 8.853 7.787 ( 1.837 1.060 -1.173) 2.424 8.465 ( 15.055 8.692 -5.895) 18.356 9.370 ( -1.433 -0.827 -2.101) 2.674 9.950 ( 3.206 1.851 1.210) 3.895 10.106 ( -29.309 -16.922 1.814) 33.892 14.189 ( 4.043 2.334 3.196) 5.657 ======================= Grid point 838 (280/417) ======================= q-point: (-0.31 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.872 ( -0.298 -0.172 -13.894) 13.898 3.149 ( -0.744 -0.430 -2.513) 2.655 3.499 ( 1.087 0.628 1.678) 2.096 4.512 ( 4.076 2.353 -5.303) 7.091 4.992 ( -1.592 -0.919 4.223) 4.606 6.176 ( -0.397 -0.229 4.412) 4.436 7.811 ( 0.693 0.400 -1.180) 1.426 8.745 ( 7.665 4.425 -9.336) 12.864 9.417 ( 4.718 2.724 1.983) 5.798 9.614 ( -9.465 -5.465 2.972) 11.326 9.988 ( -0.561 -0.324 1.282) 1.436 14.270 ( 1.988 1.148 4.264) 4.842 ======================= Grid point 839 (281/417) ======================= q-point: (-0.25 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.768 ( -4.648 -2.684 -12.392) 13.504 3.091 ( -3.777 -2.181 -2.309) 4.935 3.483 ( -2.713 -1.567 1.645) 3.539 4.615 ( 5.563 3.212 -8.176) 10.398 4.928 ( -4.635 -2.676 6.001) 8.041 6.092 ( -8.328 -4.808 5.148) 10.908 7.810 ( -0.691 -0.399 -0.824) 1.148 8.638 ( -11.539 -6.662 -3.095) 13.679 9.620 ( 14.807 8.549 -3.991) 17.557 9.768 ( 15.980 9.226 2.439) 18.613 9.933 ( -4.208 -2.429 0.955) 4.951 14.318 ( 1.158 0.669 5.035) 5.209 ======================= Grid point 840 (282/417) ======================= q-point: (-0.19 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.583 ( -8.252 -4.764 -8.460) 12.742 2.947 ( -8.319 -4.803 -1.474) 9.719 3.397 ( -4.774 -2.756 1.156) 5.632 4.601 ( -6.333 -3.656 -6.551) 9.818 4.909 ( 2.802 1.618 1.351) 3.507 5.825 ( -16.215 -9.362 6.732) 19.897 7.762 ( -3.667 -2.117 -0.208) 4.239 8.358 ( -10.831 -6.253 0.936) 12.541 9.823 ( -4.778 -2.759 0.299) 5.525 9.992 ( 17.674 10.204 -8.593) 22.143 10.241 ( 23.541 13.591 1.337) 27.216 14.371 ( 2.147 1.239 5.072) 5.645 ======================= Grid point 847 (283/417) ======================= q-point: ( 0.25 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( 0.000 17.813 15.576) 23.663 1.247 ( 0.000 26.922 18.844) 32.862 1.849 ( 0.000 21.136 30.792) 37.348 2.830 ( -0.000 2.850 -3.817) 4.764 2.903 ( -0.000 11.064 -3.534) 11.615 5.606 ( 0.000 -18.395 -1.342) 18.444 6.743 ( 0.000 4.819 1.732) 5.121 8.039 ( -0.000 64.145 -27.031) 69.608 9.982 ( -0.000 -12.238 -6.474) 13.845 10.145 ( 0.000 -4.336 -1.159) 4.488 13.200 ( 0.000 -10.023 5.754) 11.557 13.884 ( -0.000 16.713 -12.706) 20.994 ======================= Grid point 848 (284/417) ======================= q-point: ( 0.31 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( 11.134 20.495 11.700) 26.094 1.606 ( 5.777 13.080 23.276) 27.317 2.387 ( 20.319 33.983 13.727) 41.906 2.844 ( -0.006 4.607 -4.141) 6.194 3.135 ( 11.509 13.868 -1.987) 18.130 5.418 ( -4.129 -6.680 -4.786) 9.196 6.859 ( 5.077 7.452 1.758) 9.187 8.620 ( 14.071 13.301 -9.534) 21.582 9.733 ( -9.843 2.969 -18.590) 21.244 10.085 ( -1.872 -3.257 -2.555) 4.543 13.060 ( -4.396 -13.957 9.582) 17.491 14.041 ( 4.723 8.741 -17.900) 20.472 ======================= Grid point 849 (285/417) ======================= q-point: ( 0.38 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( 7.330 10.511 16.972) 21.267 1.878 ( 13.326 19.116 10.219) 25.445 2.894 ( 1.492 5.991 -4.553) 7.671 3.208 ( 29.294 32.023 4.261) 43.609 3.525 ( 16.816 14.032 -0.227) 21.902 5.296 ( -2.922 -2.203 -5.902) 6.944 7.069 ( 7.655 10.726 1.703) 13.287 8.568 ( -11.078 -14.112 4.201) 18.426 9.717 ( 5.493 3.432 -19.064) 20.135 10.017 ( -3.292 3.484 -8.046) 9.366 12.845 ( -7.399 -17.007 14.487) 23.534 14.044 ( -2.889 2.359 -19.802) 20.150 ======================= Grid point 850 (286/417) ======================= q-point: ( 0.44 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( 7.910 8.460 10.468) 15.612 2.365 ( 14.495 19.694 6.757) 25.370 2.975 ( 1.913 7.328 -4.773) 8.952 3.945 ( 17.589 14.447 7.634) 24.008 4.009 ( 26.391 20.798 -9.132) 34.820 5.245 ( 0.140 1.561 -2.390) 2.858 7.336 ( 7.789 13.653 1.529) 15.792 8.232 ( -11.803 -9.815 2.309) 15.523 9.721 ( 2.952 -6.706 -7.717) 10.641 9.962 ( -4.497 2.599 -12.693) 13.714 12.527 ( -14.424 -21.272 14.932) 29.724 13.922 ( -4.113 1.674 -16.362) 16.954 ======================= Grid point 851 (287/417) ======================= q-point: ( 0.50 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.381 ( 9.299 7.361 2.985) 12.229 2.801 ( 11.377 17.444 5.915) 21.650 3.073 ( 1.873 9.117 -5.281) 10.701 4.333 ( 12.978 7.325 2.268) 15.074 4.497 ( 13.099 10.393 -10.511) 19.751 5.381 ( 10.010 8.967 5.027) 14.349 7.599 ( 4.662 15.261 1.124) 15.997 8.031 ( -3.507 -3.581 0.612) 5.050 9.676 ( 1.678 -6.168 -8.083) 10.305 9.821 ( -6.081 -1.667 -6.987) 9.412 11.987 ( -25.835 -24.059 8.215) 36.246 13.882 ( 2.356 1.732 -7.279) 7.845 ======================= Grid point 852 (288/417) ======================= q-point: ( 0.56 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.602 ( 8.708 5.073 -3.686) 10.731 3.098 ( 3.172 9.995 2.234) 10.722 3.224 ( 4.681 15.587 -2.428) 16.455 4.485 ( 2.122 0.640 -9.078) 9.345 4.733 ( 9.060 5.827 1.847) 10.929 5.724 ( 13.171 9.909 5.974) 17.532 7.793 ( -0.559 15.539 0.418) 15.555 8.048 ( 6.585 1.164 -0.853) 6.741 9.528 ( -5.750 -6.401 -9.703) 12.969 9.797 ( 3.813 0.588 0.286) 3.868 11.250 ( -32.521 -22.482 2.166) 39.595 13.967 ( 6.997 -0.125 -0.295) 7.005 ======================= Grid point 853 (289/417) ======================= q-point: ( 0.62 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.747 ( 6.195 1.990 -9.269) 11.325 3.194 ( -1.086 8.688 -2.256) 9.041 3.453 ( 2.055 15.428 1.444) 15.631 4.461 ( -0.213 0.049 -7.967) 7.970 4.915 ( 5.615 2.122 4.193) 7.322 6.016 ( 8.795 5.823 4.857) 11.612 7.899 ( -4.668 15.292 -0.249) 15.990 8.251 ( 13.818 3.551 -3.221) 14.626 9.371 ( -2.507 -3.819 -4.256) 6.243 9.887 ( 4.170 -0.351 1.322) 4.388 10.491 ( -31.009 -15.687 -0.229) 34.752 14.092 ( 7.775 -2.441 2.758) 8.603 ======================= Grid point 854 (290/417) ======================= q-point: ( 0.69 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.791 ( 2.511 -1.027 -12.373) 12.666 3.230 ( -3.750 8.568 -3.388) 9.948 3.596 ( -2.954 13.247 2.013) 13.721 4.459 ( 2.156 1.476 -5.944) 6.493 4.994 ( 1.474 -1.412 4.238) 4.704 6.172 ( 3.103 1.393 4.368) 5.536 7.946 ( -7.001 15.090 -0.583) 16.645 8.527 ( 14.986 1.584 -6.893) 16.571 9.360 ( 4.084 0.333 0.764) 4.169 9.764 ( -14.184 -13.152 2.848) 19.552 10.068 ( -6.670 4.395 -0.724) 8.020 14.194 ( 6.467 -4.208 3.807) 8.603 ======================= Grid point 855 (291/417) ======================= q-point: (-0.25 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.738 ( -1.241 -3.161 -12.053) 12.522 3.209 ( -6.704 7.405 -3.478) 10.577 3.630 ( -7.730 10.910 1.910) 13.507 4.523 ( 4.955 2.421 -7.003) 8.914 4.973 ( -2.110 -3.955 5.048) 6.751 6.175 ( -3.747 -2.970 4.662) 6.678 7.956 ( -8.391 13.834 -0.508) 16.188 8.642 ( 1.303 -7.593 -6.644) 10.173 9.468 ( 5.283 1.544 -0.415) 5.520 9.622 ( 9.348 3.298 4.054) 10.709 10.030 ( -4.696 3.345 -0.604) 5.797 14.260 ( 5.082 -4.835 4.197) 8.174 ======================= Grid point 856 (292/417) ======================= q-point: (-0.19 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.612 ( -4.702 -4.348 -8.927) 10.986 3.116 ( -10.402 5.293 -2.681) 11.975 3.565 ( -11.036 8.146 1.382) 13.786 4.585 ( 1.802 -0.358 -9.551) 9.726 4.910 ( -1.452 -2.793 5.456) 6.299 6.008 ( -11.691 -7.069 5.644) 14.782 7.923 ( -9.922 10.795 -0.028) 14.663 8.447 ( -8.157 -9.725 -1.289) 12.759 9.653 ( 12.788 -0.812 -6.573) 14.401 9.969 ( 5.094 6.213 4.725) 9.320 10.006 ( 12.801 10.318 -2.282) 16.599 14.313 ( 4.918 -4.104 3.982) 7.542 ======================= Grid point 864 (293/417) ======================= q-point: ( 0.31 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( 0.000 21.805 10.086) 24.024 1.779 ( 0.000 12.717 23.041) 26.318 2.644 ( -0.000 41.913 8.390) 42.745 2.878 ( -0.000 4.516 -4.286) 6.226 3.193 ( -0.000 18.705 -0.536) 18.713 5.369 ( -0.000 -5.509 -5.606) 7.860 6.902 ( -0.000 9.818 1.641) 9.954 8.594 ( -0.000 4.072 -1.601) 4.375 9.835 ( -0.000 9.032 -25.163) 26.735 10.019 ( 0.000 -7.121 -1.036) 7.196 12.960 ( 0.000 -19.301 11.479) 22.457 14.044 ( -0.000 10.004 -17.697) 20.329 ======================= Grid point 865 (294/417) ======================= q-point: ( 0.38 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( 10.443 21.651 8.250) 25.414 1.975 ( 1.647 9.544 19.065) 21.384 2.923 ( 1.211 6.370 -4.644) 7.975 3.206 ( 13.516 39.839 -0.419) 42.071 3.469 ( 8.324 19.275 3.471) 21.281 5.295 ( -1.565 -1.719 -5.937) 6.376 7.073 ( 5.945 12.437 1.686) 13.887 8.549 ( -2.480 -13.154 4.809) 14.224 9.730 ( -7.458 4.437 -17.514) 19.546 10.014 ( 2.927 0.135 -9.836) 10.263 12.770 ( -2.343 -23.130 14.601) 27.454 14.063 ( -1.619 6.450 -18.719) 19.866 ======================= Grid point 866 (295/417) ======================= q-point: ( 0.44 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.155 ( 3.492 8.233 12.252) 15.169 2.360 ( 13.690 21.374 7.160) 26.373 3.014 ( 2.117 8.916 -4.953) 10.417 3.794 ( 16.827 19.119 -6.939) 26.398 3.897 ( 14.156 27.251 5.867) 31.263 5.260 ( -0.474 2.706 -3.461) 4.418 7.356 ( 8.863 16.245 2.064) 18.620 8.314 ( -8.900 -12.459 3.082) 15.618 9.613 ( -1.493 -3.193 -9.610) 10.236 9.993 ( -1.639 -0.654 -11.655) 11.788 12.503 ( -5.927 -27.027 15.558) 31.743 13.986 ( -5.712 4.331 -17.201) 18.635 ======================= Grid point 867 (296/417) ======================= q-point: ( 0.50 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.341 ( 5.582 7.014 5.614) 10.577 2.819 ( 11.966 19.738 6.740) 24.045 3.139 ( 2.005 12.750 -5.518) 14.037 4.177 ( 13.864 8.726 -1.741) 16.473 4.383 ( 11.941 17.863 -4.509) 21.955 5.354 ( 5.518 9.781 2.377) 11.479 7.692 ( 7.257 19.866 2.554) 21.304 8.081 ( -6.853 -5.722 1.007) 8.984 9.546 ( 1.981 -5.679 -7.656) 9.736 9.869 ( -5.122 -4.026 -8.443) 10.664 12.097 ( -14.103 -29.402 11.116) 34.452 13.883 ( -3.653 2.745 -10.922) 11.839 ======================= Grid point 868 (297/417) ======================= q-point: ( 0.56 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.516 ( 6.302 4.971 -0.380) 8.036 3.162 ( 4.856 12.901 3.434) 14.206 3.335 ( 4.041 21.147 -2.760) 21.706 4.399 ( 6.291 2.206 -7.358) 9.929 4.658 ( 7.767 8.860 0.184) 11.784 5.640 ( 10.962 12.054 5.051) 17.058 7.964 ( 2.713 5.458 1.586) 6.298 8.022 ( -1.022 16.383 1.075) 16.450 9.483 ( -0.495 -6.742 -9.504) 11.663 9.752 ( -0.071 -2.025 -2.083) 2.906 11.506 ( -23.445 -27.105 4.202) 36.083 13.860 ( 2.684 -0.943 -3.412) 4.443 ======================= Grid point 869 (298/417) ======================= q-point: ( 0.62 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.645 ( 5.206 2.517 -5.574) 8.032 3.314 ( -0.476 12.348 -1.570) 12.457 3.624 ( 2.194 22.267 1.930) 22.457 4.432 ( 0.895 0.608 -8.565) 8.633 4.852 ( 5.998 3.757 3.729) 8.000 5.937 ( 9.376 7.188 4.661) 12.700 8.062 ( 8.118 1.220 -1.082) 8.280 8.211 ( -5.175 24.350 2.106) 24.983 9.349 ( -2.502 -5.867 -6.264) 8.940 9.807 ( 5.277 0.067 0.287) 5.286 10.823 ( -26.960 -19.987 -0.523) 33.564 13.918 ( 7.357 -5.167 1.053) 9.052 ======================= Grid point 870 (299/417) ======================= q-point: ( 0.69 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.705 ( 2.763 0.382 -9.041) 9.461 3.398 ( -3.702 13.050 -3.287) 13.957 3.841 ( -3.175 20.774 3.235) 21.263 4.427 ( 0.867 1.513 -6.874) 7.092 4.955 ( 2.673 -0.797 3.760) 4.681 6.127 ( 5.538 1.693 4.322) 7.226 8.230 ( 5.848 5.345 -2.387) 8.275 8.352 ( -3.352 19.782 0.472) 20.069 9.289 ( 2.736 -2.267 -1.162) 3.738 9.824 ( -4.246 -7.338 2.413) 8.814 10.276 ( -16.293 -4.331 -3.557) 17.230 14.002 ( 8.964 -8.135 2.738) 12.411 ======================= Grid point 871 (300/417) ======================= q-point: (-0.25 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.691 ( -0.175 -0.953 -9.728) 9.776 3.420 ( -7.136 12.437 -4.033) 14.895 3.947 ( -8.976 19.044 3.268) 21.305 4.454 ( 2.710 2.132 -6.504) 7.362 4.961 ( -0.056 -4.451 3.884) 5.908 6.190 ( 0.598 -2.762 4.329) 5.169 8.300 ( -7.016 12.680 -1.061) 14.530 8.492 ( 2.893 5.327 -3.203) 6.856 9.403 ( 8.096 3.373 2.811) 9.210 9.581 ( -6.695 -6.822 1.497) 9.675 10.137 ( -4.350 3.293 -3.414) 6.436 14.078 ( 8.726 -9.267 3.040) 13.086 ======================= Grid point 872 (301/417) ======================= q-point: (-0.19 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.621 ( -3.052 -1.434 -7.647) 8.358 3.369 ( -10.587 10.425 -3.708) 15.314 3.928 ( -14.686 16.234 2.177) 21.999 4.505 ( 3.379 0.860 -8.057) 8.779 4.910 ( -0.935 -5.351 4.805) 7.252 6.116 ( -5.956 -6.076 4.694) 9.718 8.252 ( -9.825 7.718 -0.328) 12.499 8.473 ( -7.039 0.906 -1.408) 7.235 9.479 ( 4.687 1.503 -4.213) 6.479 9.768 ( 18.199 7.653 6.487) 20.781 10.071 ( -4.411 1.495 -4.521) 6.490 14.144 ( 8.292 -8.605 2.483) 12.205 ======================= Grid point 881 (302/417) ======================= q-point: ( 0.38 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.039 ( 0.000 21.266 6.885) 22.353 2.109 ( 0.000 7.646 16.346) 18.046 2.950 ( -0.000 5.635 -4.777) 7.387 3.467 ( -0.000 33.681 -7.991) 34.616 3.659 ( 0.000 28.445 8.983) 29.830 5.283 ( -0.000 0.939 -5.307) 5.389 7.146 ( -0.000 13.056 1.150) 13.107 8.458 ( 0.000 -12.990 5.238) 14.006 9.852 ( -0.000 5.838 -25.106) 25.776 9.866 ( 0.000 -7.041 -0.596) 7.066 12.585 ( 0.000 -27.457 15.955) 31.757 14.093 ( -0.000 7.608 -17.750) 19.312 ======================= Grid point 882 (303/417) ======================= q-point: ( 0.44 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.232 ( 1.029 6.364 11.152) 12.881 2.367 ( 10.614 19.679 6.282) 23.225 3.027 ( 3.536 7.284 -5.055) 9.545 3.773 ( 6.485 20.467 -5.498) 22.162 4.047 ( 5.265 31.363 3.949) 32.046 5.296 ( -0.196 5.852 -3.088) 6.620 7.360 ( 8.318 14.570 1.155) 16.817 8.314 ( -4.061 -11.205 2.966) 12.281 9.649 ( -8.149 -2.400 -9.213) 12.532 9.912 ( 3.917 -3.753 -11.159) 12.408 12.328 ( -2.064 -31.159 16.087) 35.127 14.074 ( -4.093 6.585 -16.211) 17.970 ======================= Grid point 883 (304/417) ======================= q-point: ( 0.50 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.352 ( 2.868 5.185 6.102) 8.506 2.797 ( 13.992 16.959 6.277) 22.865 3.184 ( 5.691 11.963 -5.563) 14.368 4.058 ( 9.275 11.241 -2.731) 14.827 4.423 ( 5.659 21.574 -1.807) 22.377 5.400 ( 2.648 12.641 0.813) 12.941 7.717 ( 12.772 17.501 1.937) 21.753 8.138 ( -5.781 -5.964 0.277) 8.311 9.487 ( -3.837 -3.665 -6.825) 8.645 9.850 ( -1.374 -5.544 -8.118) 9.926 11.987 ( -5.901 -33.642 13.307) 36.656 13.981 ( -7.107 4.742 -12.563) 15.193 ======================= Grid point 884 (305/417) ======================= q-point: ( 0.56 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.473 ( 4.224 3.800 1.769) 5.951 3.175 ( 9.772 11.523 4.203) 15.683 3.443 ( 7.521 20.428 -3.558) 22.058 4.277 ( 7.986 3.740 -4.127) 9.737 4.660 ( 3.903 12.167 -1.187) 12.833 5.634 ( 6.412 14.618 3.052) 16.252 7.978 ( -1.936 0.466 0.643) 2.092 8.174 ( 9.136 20.008 1.676) 22.058 9.389 ( -0.391 -5.110 -6.967) 8.650 9.737 ( -2.389 -3.473 -4.397) 6.092 11.534 ( -12.150 -32.459 7.876) 35.542 13.865 ( -5.230 1.244 -7.025) 8.846 ======================= Grid point 885 (306/417) ======================= q-point: ( 0.62 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.578 ( 4.105 2.320 -2.026) 5.132 3.410 ( 4.170 11.664 -0.054) 12.387 3.788 ( 6.255 22.428 1.397) 23.326 4.378 ( 3.504 1.294 -7.036) 7.966 4.824 ( 4.083 6.524 2.433) 8.072 5.884 ( 6.731 8.792 3.205) 11.528 7.979 ( 2.406 1.590 -0.227) 2.893 8.521 ( 1.880 24.693 3.383) 24.994 9.300 ( -1.214 -5.702 -6.516) 8.743 9.720 ( 3.717 0.293 -1.648) 4.076 10.989 ( -17.800 -26.119 2.232) 31.686 13.793 ( 0.296 -3.845 -1.986) 4.337 ======================= Grid point 886 (307/417) ======================= q-point: ( 0.69 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.643 ( 2.668 1.206 -4.991) 5.787 3.567 ( -0.288 13.799 -2.240) 13.982 4.083 ( 1.664 19.533 5.045) 20.242 4.408 ( 1.207 2.909 -7.920) 8.523 4.933 ( 1.729 2.640 2.730) 4.173 6.050 ( 5.574 0.896 3.394) 6.587 8.086 ( 7.154 2.189 -1.068) 7.557 8.744 ( -6.010 24.980 3.417) 25.919 9.219 ( 0.751 -3.817 -2.787) 4.785 9.798 ( 2.488 -0.930 0.199) 2.664 10.469 ( -16.372 -13.722 -2.620) 21.523 13.783 ( 5.744 -8.480 0.886) 10.281 ======================= Grid point 887 (308/417) ======================= q-point: ( 0.75 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.661 ( 0.548 0.786 -6.291) 6.363 3.655 ( -4.994 14.617 -3.583) 15.857 4.256 ( -2.687 13.313 5.662) 14.715 4.447 ( 0.222 7.251 -6.081) 9.466 4.947 ( -2.004 -0.565 1.337) 2.475 6.123 ( 4.011 -5.108 3.813) 7.531 8.224 ( 6.998 -0.435 -2.634) 7.490 8.828 ( -10.821 19.556 2.034) 22.443 9.289 ( 8.709 2.738 2.544) 9.477 9.685 ( -10.557 -5.301 1.649) 11.928 10.219 ( -4.661 0.319 -5.974) 7.584 13.821 ( 9.040 -10.851 1.734) 14.229 ======================= Grid point 888 (309/417) ======================= q-point: (-0.19 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.640 ( -1.735 1.077 -5.430) 5.801 3.655 ( -9.788 13.223 -4.016) 16.935 4.307 ( -5.780 8.928 1.674) 10.767 4.495 ( -3.526 9.500 -2.568) 10.453 4.881 ( -2.163 -4.451 1.250) 5.104 6.112 ( 0.451 -7.776 4.026) 8.768 8.260 ( 0.982 -5.036 -2.845) 5.867 8.806 ( -11.736 13.860 2.530) 18.337 9.485 ( -2.076 -2.621 -2.156) 3.978 9.585 ( 11.178 12.462 6.009) 17.787 10.135 ( -4.550 -0.437 -6.019) 7.558 13.886 ( 10.264 -10.555 1.136) 14.766 ======================= Grid point 898 (310/417) ======================= q-point: ( 0.44 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.309 ( 0.000 4.229 8.193) 9.220 2.476 ( -0.000 18.009 5.349) 18.786 3.039 ( -0.000 6.648 -5.158) 8.414 3.902 ( -0.000 17.379 -3.488) 17.726 4.318 ( -0.000 27.813 0.801) 27.825 5.373 ( -0.000 11.250 -1.525) 11.353 7.413 ( -0.000 12.353 0.181) 12.354 8.260 ( 0.000 -7.898 1.096) 7.974 9.709 ( -0.000 -5.036 -16.767) 17.507 9.756 ( 0.000 -3.149 0.148) 3.152 12.071 ( 0.000 -34.330 15.601) 37.709 14.133 ( -0.000 7.260 -14.356) 16.087 ======================= Grid point 899 (311/417) ======================= q-point: ( 0.50 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.376 ( 1.278 2.856 4.998) 5.897 2.754 ( 10.027 14.546 5.214) 18.421 3.153 ( 6.663 9.144 -5.314) 12.500 4.066 ( 2.856 11.289 -1.794) 11.783 4.572 ( 1.330 19.829 -1.743) 19.950 5.519 ( 0.997 16.615 0.263) 16.647 7.637 ( 11.974 11.935 0.122) 16.907 8.167 ( -3.527 -3.874 -1.461) 5.439 9.526 ( -6.106 -4.620 -8.022) 11.090 9.772 ( 1.833 -2.769 -3.436) 4.779 11.746 ( -2.150 -36.405 13.399) 38.852 14.111 ( -5.409 6.344 -11.809) 14.455 ======================= Grid point 900 (312/417) ======================= q-point: ( 0.56 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.449 ( 2.886 1.997 2.706) 4.432 3.093 ( 12.246 9.090 4.108) 15.795 3.432 ( 12.869 15.636 -4.278) 20.698 4.204 ( 4.082 4.919 -1.135) 6.493 4.745 ( 0.723 12.826 -1.745) 12.965 5.726 ( 2.471 17.043 1.019) 17.251 8.015 ( 6.955 7.593 0.497) 10.309 8.103 ( 8.478 6.011 -2.420) 10.671 9.371 ( -4.249 -4.203 -4.944) 7.756 9.742 ( -1.949 -0.030 -2.639) 3.281 11.360 ( -4.909 -36.020 9.802) 37.651 14.000 ( -9.127 4.087 -8.453) 13.094 ======================= Grid point 901 (313/417) ======================= q-point: ( 0.62 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.529 ( 3.510 1.427 0.838) 3.880 3.381 ( 10.477 8.015 1.588) 13.287 3.838 ( 13.017 19.295 -1.205) 23.306 4.299 ( 4.288 1.171 -2.478) 5.089 4.856 ( 1.043 7.464 0.450) 7.550 5.919 ( 1.976 11.650 0.991) 11.858 8.000 ( -2.057 3.051 -1.305) 3.904 8.565 ( 18.544 15.859 0.873) 24.417 9.259 ( -2.374 -3.700 -3.976) 5.927 9.712 ( -1.761 3.305 -1.702) 4.114 10.931 ( -8.028 -31.582 5.711) 33.084 13.840 ( -8.684 0.379 -4.707) 9.885 ======================= Grid point 902 (314/417) ======================= q-point: ( 0.69 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.598 ( 2.821 1.177 -1.023) 3.223 3.630 ( 7.185 10.272 -0.285) 12.539 4.197 ( 6.047 14.368 5.042) 16.384 4.376 ( 4.377 4.428 -7.717) 9.916 4.947 ( 2.539 4.320 2.116) 5.439 6.016 ( 0.294 2.855 1.118) 3.080 8.037 ( 2.213 4.299 -0.550) 4.867 8.968 ( 7.668 15.783 2.722) 17.757 9.185 ( -1.678 -2.046 -3.380) 4.293 9.756 ( 2.656 4.516 -1.351) 5.411 10.517 ( -9.244 -21.492 1.715) 23.458 13.695 ( -4.100 -4.236 -1.499) 6.083 ======================= Grid point 903 (315/417) ======================= q-point: ( 0.75 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.642 ( 1.400 1.449 -2.449) 3.172 3.823 ( 1.765 12.845 -1.881) 13.102 4.335 ( 1.028 2.240 2.888) 3.796 4.500 ( 2.649 7.839 -2.220) 8.567 5.044 ( -0.575 9.573 -0.173) 9.592 6.008 ( 1.324 -6.967 2.040) 7.379 8.137 ( 4.129 3.318 -0.729) 5.348 9.111 ( -6.118 5.192 -1.426) 8.150 9.196 ( 5.965 3.868 3.467) 7.909 9.815 ( -3.240 3.711 1.516) 5.154 10.255 ( -3.710 -5.217 -3.830) 7.460 13.616 ( 2.379 -7.848 0.310) 8.207 ======================= Grid point 904 (316/417) ======================= q-point: (-0.19 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.662 ( -0.242 2.322 -2.747) 3.605 3.919 ( -5.454 13.609 -3.275) 15.022 4.346 ( -0.894 0.421 -2.898) 3.062 4.592 ( 4.321 -1.585 7.075) 8.440 5.064 ( -12.043 15.161 -3.602) 19.694 5.970 ( 5.114 -12.194 3.161) 13.596 8.205 ( 1.331 0.079 -1.425) 1.952 9.043 ( -5.925 3.678 1.167) 7.070 9.340 ( 8.330 -2.812 1.114) 8.862 9.773 ( -6.860 10.235 4.802) 13.224 10.189 ( -3.433 1.998 -6.784) 7.861 13.624 ( 7.740 -8.447 0.320) 11.461 ======================= Grid point 915 (317/417) ======================= q-point: ( 0.50 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.398 ( 0.000 1.158 3.808) 3.980 2.811 ( 0.000 11.589 4.521) 12.439 3.156 ( -0.000 8.774 -4.915) 10.056 4.140 ( -0.000 8.083 -0.616) 8.106 4.736 ( -0.000 15.697 -1.974) 15.821 5.689 ( -0.000 18.446 -0.254) 18.448 7.616 ( -0.000 7.766 -0.644) 7.793 8.169 ( -0.000 -0.390 -3.505) 3.527 9.489 ( -0.000 -7.315 -7.734) 10.645 9.758 ( -0.000 2.985 0.681) 3.062 11.433 ( 0.000 -37.830 11.602) 39.569 14.191 ( -0.000 6.638 -9.997) 12.000 ======================= Grid point 916 (318/417) ======================= q-point: ( 0.56 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.432 ( 1.641 0.515 3.551) 3.945 2.999 ( 8.349 7.120 3.605) 11.550 3.331 ( 10.710 11.385 -3.956) 16.124 4.212 ( 0.979 4.433 0.558) 4.574 4.863 ( -0.527 11.486 -1.870) 11.650 5.873 ( 0.768 16.700 -0.795) 16.737 7.821 ( 15.632 6.559 -0.610) 16.964 8.137 ( -3.278 2.765 -4.166) 5.979 9.377 ( -2.888 -4.903 -3.671) 6.772 9.792 ( -1.231 4.882 0.038) 5.035 11.076 ( -1.537 -37.236 8.899) 38.315 14.166 ( -6.577 5.624 -7.847) 11.682 ======================= Grid point 917 (319/417) ======================= q-point: ( 0.62 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.490 ( 2.928 0.563 3.566) 4.648 3.248 ( 12.075 4.997 2.346) 13.277 3.709 ( 18.534 13.410 -2.827) 23.050 4.266 ( 1.260 1.825 1.344) 2.593 4.933 ( -1.386 7.078 -1.190) 7.310 6.029 ( 0.207 12.362 -1.054) 12.409 8.092 ( -4.219 5.117 -2.423) 7.061 8.263 ( 25.996 7.024 -1.316) 26.960 9.277 ( -3.495 -2.009 -1.731) 4.388 9.809 ( -3.118 6.038 -0.370) 6.806 10.708 ( -2.453 -33.515 6.425) 34.213 14.030 ( -11.447 3.628 -5.510) 13.212 ======================= Grid point 918 (320/417) ======================= q-point: ( 0.69 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.560 ( 2.969 0.795 2.813) 4.166 3.527 ( 13.049 5.532 1.608) 14.264 4.171 ( 17.576 14.432 -1.823) 22.815 4.305 ( 2.011 0.341 0.469) 2.093 4.957 ( -0.442 2.278 0.361) 2.348 6.098 ( -3.147 6.240 -1.220) 7.094 8.083 ( -1.947 5.702 -0.771) 6.075 8.792 ( 24.299 6.916 -1.046) 25.285 9.211 ( -2.705 1.591 -1.904) 3.671 9.805 ( -2.492 4.009 -0.845) 4.796 10.389 ( -2.273 -24.242 5.207) 24.899 13.825 ( -12.475 0.918 -3.108) 12.889 ======================= Grid point 919 (321/417) ======================= q-point: ( 0.75 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.623 ( 2.187 1.249 1.365) 2.865 3.809 ( 11.117 7.167 0.968) 13.262 4.331 ( 1.321 0.224 3.145) 3.418 4.517 ( 5.052 9.491 -5.293) 11.984 5.033 ( 8.869 2.880 2.109) 9.561 6.024 ( -7.668 -1.510 -1.159) 7.901 8.132 ( 1.129 4.767 0.264) 4.906 9.098 ( 6.356 -1.698 1.102) 6.670 9.229 ( -0.199 6.943 -3.043) 7.583 9.834 ( 4.484 1.225 -2.382) 5.223 10.213 ( -0.262 -8.586 4.517) 9.705 13.623 ( -8.800 -1.734 -1.023) 9.028 ======================= Grid point 920 (322/417) ======================= q-point: ( 0.81 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1032 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.671 ( 1.261 2.184 -0.000) 2.522 4.040 ( 5.214 9.032 -0.000) 10.429 4.373 ( 1.171 2.028 0.000) 2.342 4.513 ( -2.890 -5.006 -0.000) 5.780 5.311 ( 8.220 14.238 -0.000) 16.441 5.813 ( -7.031 -12.179 -0.000) 14.063 8.195 ( 1.320 2.287 -0.000) 2.641 9.135 ( 0.097 0.168 -0.000) 0.194 9.224 ( -0.727 -1.260 -0.000) 1.455 9.901 ( 0.196 0.340 -0.000) 0.392 10.230 ( 2.179 3.774 0.000) 4.357 13.506 ( -1.462 -2.533 -0.000) 2.924 ======================= Grid point 933 (323/417) ======================= q-point: ( 0.56 0.56 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.433 ( 0.000 0.022 5.237) 5.237 2.995 ( 0.000 4.866 2.919) 5.674 3.322 ( -0.000 9.701 -3.062) 10.173 4.246 ( 0.000 2.970 1.738) 3.441 4.967 ( -0.000 9.110 -1.992) 9.325 6.016 ( -0.000 13.813 -2.045) 13.963 7.718 ( -0.000 3.266 -0.488) 3.302 8.198 ( -0.000 5.780 -3.869) 6.955 9.352 ( -0.000 -2.793 -1.696) 3.268 9.864 ( -0.000 6.399 0.351) 6.409 10.743 ( 0.000 -36.254 6.497) 36.832 14.260 ( -0.000 5.578 -6.564) 8.614 ======================= Grid point 934 (324/417) ======================= q-point: ( 0.62 0.56 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.470 ( 1.649 0.333 6.919) 7.121 3.115 ( 7.982 3.118 2.403) 8.900 3.521 ( 12.997 8.839 -2.363) 15.894 4.281 ( 0.303 1.948 2.751) 3.385 5.023 ( -1.588 5.916 -2.134) 6.486 6.132 ( 0.316 10.095 -2.428) 10.387 7.905 ( 17.941 2.755 -0.553) 18.160 8.222 ( -3.766 7.634 -1.709) 8.682 9.316 ( -2.187 0.560 -0.701) 2.364 9.911 ( -1.926 5.443 -0.269) 5.780 10.413 ( 0.165 -32.132 4.415) 32.435 14.226 ( -7.421 4.546 -5.157) 10.116 ======================= Grid point 935 (325/417) ======================= q-point: ( 0.69 0.56 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.535 ( 2.379 0.582 6.942) 7.361 3.338 ( 13.171 2.558 2.460) 13.640 3.905 ( 21.604 7.763 -2.829) 23.130 4.314 ( 0.232 1.642 3.833) 4.176 5.014 ( -3.204 2.094 -1.928) 4.286 6.198 ( -1.539 5.868 -2.598) 6.599 8.207 ( -3.747 6.563 -0.207) 7.559 8.360 ( 27.090 4.089 -0.375) 27.400 9.290 ( -3.038 4.497 -1.115) 5.540 9.863 ( -4.426 -5.571 -1.469) 7.265 10.190 ( 2.259 -16.672 4.717) 17.473 14.069 ( -12.991 3.184 -3.610) 13.854 ======================= Grid point 936 (326/417) ======================= q-point: ( 0.75 0.56 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.603 ( 2.282 0.612 5.207) 5.718 3.623 ( 15.301 2.457 2.824) 15.752 4.304 ( 8.269 1.755 -2.944) 8.951 4.399 ( 12.931 6.620 2.636) 14.764 4.956 ( -1.637 -2.207 -0.309) 2.766 6.158 ( -6.663 1.259 -2.976) 7.405 8.201 ( -3.261 4.933 1.828) 6.190 8.847 ( 21.868 0.298 -1.575) 21.927 9.318 ( -1.086 10.593 -3.226) 11.126 9.701 ( 1.096 -12.637 -1.489) 12.772 10.158 ( 1.667 -3.772 6.138) 7.395 13.839 ( -14.709 2.145 -1.899) 14.986 ======================= Grid point 951 (327/417) ======================= q-point: ( 0.62 0.62 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.490 ( 0.000 0.663 10.219) 10.240 3.074 ( 0.000 1.745 2.200) 2.808 3.469 ( -0.000 6.044 -1.774) 6.299 4.309 ( 0.000 1.977 3.712) 4.205 5.079 ( -0.000 3.735 -2.773) 4.652 6.206 ( -0.000 6.983 -2.855) 7.544 7.760 ( -0.000 1.353 0.413) 1.415 8.344 ( -0.000 9.482 1.181) 9.556 9.354 ( -0.000 3.584 -0.773) 3.667 9.980 ( -0.000 4.480 -0.563) 4.515 10.106 ( 0.000 -29.024 1.517) 29.064 14.320 ( -0.000 3.989 -4.541) 6.044 ======================= Grid point 952 (328/417) ======================= q-point: ( 0.69 0.62 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.543 ( 0.870 0.586 11.104) 11.154 3.169 ( 8.459 0.778 2.488) 8.851 3.635 ( 13.761 3.776 -1.769) 14.378 4.345 ( 0.085 2.388 4.706) 5.278 5.073 ( -2.328 0.974 -3.226) 4.096 6.249 ( -0.211 3.420 -3.069) 4.600 7.940 ( 18.247 1.117 0.035) 18.281 8.407 ( -4.654 9.118 4.547) 11.201 9.385 ( -1.681 6.515 -1.529) 6.900 9.808 ( -3.736 -18.467 -1.432) 18.896 10.052 ( 3.734 -1.338 0.770) 4.040 14.274 ( -7.631 3.078 -3.764) 9.048 ======================= Grid point 954 (329/417) ======================= q-point: (-0.25 -0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.597 ( 1.208 -0.255 8.940) 9.025 3.383 ( 14.101 -0.126 3.315) 14.486 3.977 ( 22.157 1.392 -2.776) 22.374 4.391 ( 0.270 2.884 5.940) 6.609 4.997 ( -4.489 -1.815 -3.330) 5.877 6.230 ( -2.652 -0.661 -3.656) 4.565 8.291 ( 9.096 0.617 0.718) 9.146 8.460 ( 11.016 4.287 3.171) 12.239 9.430 ( -0.263 8.510 -2.497) 8.872 9.596 ( -3.713 -8.950 -1.556) 9.814 10.105 ( 3.224 -1.884 2.995) 4.787 14.107 ( -13.054 2.676 -2.648) 13.586 ======================= Grid point 970 (330/417) ======================= q-point: (-0.31 -0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.584 ( 0.000 0.122 13.495) 13.496 3.100 ( 0.000 -0.652 2.161) 2.257 3.530 ( -0.000 1.052 -1.321) 1.689 4.392 ( 0.000 3.432 5.884) 6.812 5.082 ( -0.000 -1.116 -4.049) 4.200 6.258 ( -0.000 0.008 -3.384) 3.384 7.787 ( 0.000 0.784 1.158) 1.398 8.561 ( 0.000 7.073 8.113) 10.763 9.454 ( -0.000 4.342 -1.566) 4.615 9.678 ( -0.000 -8.200 -3.114) 8.772 10.015 ( -0.000 -0.631 -1.258) 1.407 14.355 ( -0.000 2.271 -3.790) 4.418 ======================= Grid point 971 (331/417) ======================= q-point: (-0.25 -0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.617 ( -0.447 -1.543 11.794) 11.903 3.177 ( 9.099 -1.975 2.843) 9.735 3.647 ( 13.677 -1.431 -1.502) 13.833 4.450 ( -0.304 4.204 7.222) 8.362 5.023 ( -2.535 -3.175 -4.705) 6.216 6.220 ( -0.680 -4.318 -4.122) 6.008 7.952 ( 16.934 -0.262 0.430) 16.942 8.569 ( -5.958 -0.408 7.591) 9.659 9.460 ( -0.968 1.105 0.993) 1.773 9.669 ( -2.212 11.563 -5.090) 12.826 10.026 ( 3.549 -2.843 0.183) 4.551 14.299 ( -7.138 1.937 -3.455) 8.163 ======================= Grid point 988 (332/417) ======================= q-point: (-0.25 -0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.642 ( 0.000 -3.641 12.348) 12.874 3.069 ( 0.000 -4.081 1.958) 4.526 3.497 ( -0.000 -3.275 -1.152) 3.471 4.527 ( 0.000 4.670 8.971) 10.114 4.987 ( -0.000 -4.590 -5.633) 7.266 6.143 ( -0.000 -9.013 -4.936) 10.276 7.800 ( 0.000 -0.531 1.086) 1.209 8.596 ( 0.000 -9.596 5.173) 10.901 9.558 ( 0.000 12.786 6.888) 14.523 9.821 ( -0.000 18.346 -6.721) 19.538 9.944 ( 0.000 -5.129 -1.175) 5.262 14.364 ( -0.000 1.489 -4.042) 4.307 ======================= Grid point 1109 (333/417) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 417 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( 0.000 -0.000 19.153) 19.153 0.913 ( 0.000 -0.000 19.153) 19.153 1.814 ( 0.000 -0.000 39.959) 39.959 2.779 ( -0.000 0.000 -4.145) 4.145 2.779 ( -0.000 0.000 -4.145) 4.145 6.153 ( -0.000 0.000 -15.582) 15.582 6.706 ( 0.000 -0.000 1.842) 1.842 6.706 ( 0.000 -0.000 1.842) 1.842 10.187 ( -0.000 0.000 -1.175) 1.175 10.187 ( -0.000 0.000 -1.175) 1.175 13.305 ( 0.000 -0.000 3.897) 3.897 13.649 ( -0.000 0.000 -2.235) 2.235 ======================= Grid point 1110 (334/417) ======================= q-point: ( 0.31 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 13.632 7.870 15.337) 21.977 1.370 ( 23.733 13.702 17.314) 32.415 2.053 ( 12.470 7.200 29.012) 32.389 2.771 ( 1.161 0.670 -4.287) 4.492 2.918 ( 11.884 6.861 -2.928) 14.032 5.587 ( -16.398 -9.467 -4.223) 19.400 6.768 ( 4.516 2.607 1.747) 5.499 7.892 ( 59.409 34.300 -22.044) 72.055 9.881 ( -21.737 -12.550 -2.977) 25.276 10.144 ( -3.415 -1.972 -1.170) 4.113 13.252 ( -5.628 -3.249 5.938) 8.803 13.820 ( 11.623 6.711 -10.716) 17.174 ======================= Grid point 1111 (335/417) ======================= q-point: ( 0.38 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( 19.248 11.113 10.517) 24.589 1.807 ( 8.700 5.023 22.667) 24.794 2.686 ( 34.759 20.068 7.036) 40.748 2.803 ( 2.753 1.590 -4.281) 5.332 3.274 ( 18.443 10.648 0.141) 21.296 5.337 ( -5.956 -3.439 -6.189) 9.252 6.922 ( 8.122 4.689 1.497) 9.497 8.731 ( 7.309 4.220 -1.152) 8.518 9.489 ( 2.561 1.479 -21.908) 22.106 10.031 ( -5.658 -3.266 -1.134) 6.631 13.107 ( -9.118 -5.264 11.234) 15.396 13.945 ( 2.361 1.363 -18.083) 18.287 ======================= Grid point 1112 (336/417) ======================= q-point: ( 0.44 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( 7.298 4.213 15.651) 17.775 2.065 ( 20.000 11.547 7.332) 24.230 2.866 ( 3.815 2.202 -4.218) 6.099 3.535 ( 35.488 20.489 -1.922) 41.023 3.730 ( 19.810 11.438 2.629) 23.026 5.230 ( -1.623 -0.937 -4.855) 5.204 7.144 ( 10.396 6.002 1.174) 12.061 8.457 ( -18.163 -10.486 4.754) 21.505 9.714 ( 11.686 6.747 -21.782) 25.623 9.893 ( -5.551 -3.205 -1.025) 6.491 12.883 ( -15.418 -8.901 14.761) 23.126 13.856 ( -2.368 -1.367 -18.521) 18.721 ======================= Grid point 1113 (337/417) ======================= q-point: ( 0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.267 ( 8.917 5.148 6.989) 12.444 2.530 ( 18.083 10.440 5.505) 21.594 2.946 ( 4.248 2.453 -4.271) 6.504 4.169 ( 16.744 9.667 0.418) 19.339 4.219 ( 23.131 13.355 -6.049) 27.386 5.266 ( 6.604 3.813 1.506) 7.772 7.390 ( 10.127 5.847 0.765) 11.718 8.132 ( -9.944 -5.741 2.504) 11.752 9.760 ( -1.510 -0.872 -15.714) 15.810 9.790 ( -2.645 -1.527 -0.737) 3.142 12.426 ( -27.876 -16.094 8.387) 33.263 13.812 ( 3.293 1.901 -8.853) 9.635 ======================= Grid point 1114 (338/417) ======================= q-point: ( 0.56 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.486 ( 8.852 5.110 -0.946) 10.265 2.922 ( 13.703 7.911 5.316) 16.692 3.032 ( 4.846 2.798 -5.188) 7.631 4.419 ( 5.340 3.083 -9.850) 11.621 4.602 ( 13.147 7.590 1.688) 15.274 5.553 ( 15.068 8.700 5.876) 18.365 7.595 ( 7.176 4.143 0.173) 8.288 8.031 ( 0.651 0.376 1.003) 1.253 9.602 ( -6.877 -3.970 -10.980) 13.551 9.779 ( 1.830 1.056 -0.165) 2.119 11.694 ( -35.370 -20.421 1.399) 40.866 13.925 ( 6.798 3.925 -0.049) 7.850 ======================= Grid point 1115 (339/417) ======================= q-point: ( 0.62 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.655 ( 6.748 3.896 -8.038) 11.195 3.084 ( 2.851 1.646 -1.785) 3.745 3.239 ( 10.382 5.994 1.291) 12.058 4.432 ( 0.282 0.163 -9.281) 9.287 4.860 ( 8.097 4.675 4.333) 10.305 5.900 ( 12.200 7.044 5.186) 15.011 7.719 ( 3.721 2.149 -0.526) 4.329 8.152 ( 9.198 5.311 -1.170) 10.686 9.424 ( -5.167 -2.983 -5.926) 8.409 9.860 ( 4.561 2.633 0.571) 5.297 10.865 ( -35.176 -20.309 -0.831) 40.626 14.089 ( 6.361 3.673 3.487) 8.131 ======================= Grid point 1116 (340/417) ======================= q-point: ( 0.69 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.737 ( 3.396 1.961 -13.203) 13.773 3.124 ( 1.284 0.741 -2.569) 2.967 3.432 ( 5.734 3.310 1.759) 6.850 4.417 ( 1.216 0.702 -6.508) 6.658 5.003 ( 3.115 1.798 4.382) 5.669 6.132 ( 6.382 3.684 4.311) 8.537 7.776 ( 1.692 0.977 -1.063) 2.224 8.410 ( 12.981 7.495 -5.003) 15.802 9.355 ( 0.563 0.325 -0.952) 1.153 9.962 ( 3.366 1.943 1.153) 4.054 10.117 ( -28.316 -16.348 0.489) 32.700 14.227 ( 4.241 2.448 4.332) 6.538 ======================= Grid point 1117 (341/417) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.727 ( -0.096 -0.055 -14.705) 14.706 3.123 ( -0.694 -0.401 -2.500) 2.625 3.515 ( 1.068 0.616 1.593) 2.015 4.453 ( 3.718 2.147 -6.265) 7.595 5.038 ( -1.314 -0.759 4.654) 4.895 6.219 ( -0.204 -0.118 4.176) 4.183 7.799 ( 0.743 0.429 -1.265) 1.528 8.649 ( 7.355 4.246 -9.407) 12.674 9.436 ( 4.598 2.655 1.916) 5.644 9.646 ( -8.861 -5.116 3.260) 10.738 10.001 ( -0.599 -0.346 1.374) 1.539 14.314 ( 2.139 1.235 4.350) 5.003 ======================= Grid point 1126 (342/417) ======================= q-point: ( 0.31 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( 0.000 15.147 14.071) 20.674 1.423 ( 0.000 29.828 16.353) 34.016 2.147 ( 0.000 10.673 27.752) 29.733 2.788 ( -0.000 2.863 -4.420) 5.266 2.872 ( -0.000 12.018 -2.301) 12.236 5.572 ( 0.000 -18.788 -5.239) 19.504 6.761 ( 0.000 4.770 1.806) 5.101 7.815 ( -0.000 64.431 -18.047) 66.911 9.928 ( 0.000 -18.828 -4.549) 19.370 10.134 ( 0.000 -4.312 -1.092) 4.448 13.260 ( 0.000 -7.855 6.206) 10.011 13.776 ( -0.000 11.081 -9.315) 14.476 ======================= Grid point 1127 (343/417) ======================= q-point: ( 0.38 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( 10.370 18.612 10.763) 23.871 1.832 ( 6.641 14.482 21.668) 26.895 2.503 ( 15.718 25.944 8.544) 31.514 2.802 ( 0.094 4.708 -4.115) 6.253 3.128 ( 12.020 15.023 1.004) 19.266 5.362 ( -4.580 -7.264 -6.253) 10.622 6.877 ( 5.030 7.470 1.643) 9.154 8.529 ( 20.373 26.502 -8.290) 34.440 9.571 ( -14.331 -7.729 -13.631) 21.235 10.065 ( -2.240 -4.590 -1.586) 5.348 13.159 ( -3.129 -11.391 10.040) 15.503 13.876 ( 2.813 6.204 -15.317) 16.764 ======================= Grid point 1128 (344/417) ======================= q-point: ( 0.44 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( 14.178 19.840 7.875) 25.626 2.062 ( 3.037 6.001 18.400) 19.591 2.849 ( 1.629 5.808 -4.249) 7.379 3.213 ( 27.778 29.271 -3.226) 40.482 3.548 ( 16.815 15.147 4.512) 23.077 5.237 ( -2.372 -1.653 -5.720) 6.409 7.085 ( 7.516 10.928 1.484) 13.346 8.622 ( -11.473 -14.834 6.572) 19.871 9.508 ( 8.508 10.388 -21.310) 25.188 9.966 ( -4.188 -1.517 -3.219) 5.496 12.990 ( -6.347 -15.714 14.278) 22.160 13.851 ( -3.104 2.445 -18.652) 19.066 ======================= Grid point 1129 (345/417) ======================= q-point: ( 0.50 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.233 ( 4.809 5.811 10.266) 12.738 2.430 ( 13.869 19.650 5.945) 24.775 2.931 ( 1.907 6.924 -3.976) 8.209 3.910 ( 23.911 18.371 -10.009) 31.771 4.019 ( 17.860 15.099 6.435) 24.256 5.226 ( 2.627 3.474 -1.359) 4.562 7.350 ( 7.477 14.047 1.383) 15.973 8.261 ( -12.666 -10.876 3.605) 17.079 9.619 ( 5.239 -3.372 -11.667) 13.226 9.874 ( -4.843 0.685 -5.500) 7.361 12.657 ( -16.757 -21.994 10.601) 29.613 13.776 ( -0.652 3.480 -12.294) 12.793 ======================= Grid point 1130 (346/417) ======================= q-point: ( 0.56 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.409 ( 6.244 5.464 2.553) 8.681 2.859 ( 11.154 18.220 5.175) 21.981 3.023 ( 1.571 8.213 -4.309) 9.406 4.292 ( 10.641 6.184 -9.661) 15.647 4.457 ( 14.382 11.054 2.063) 18.256 5.428 ( 11.861 9.963 4.303) 16.077 7.610 ( 4.091 15.761 1.159) 16.324 8.046 ( -4.095 -4.355 2.232) 6.381 9.580 ( -0.113 -5.959 -9.859) 11.520 9.779 ( -2.512 -0.873 -2.395) 3.579 12.040 ( -28.654 -24.456 2.267) 37.740 13.835 ( 5.909 2.503 -2.014) 6.726 ======================= Grid point 1131 (347/417) ======================= q-point: ( 0.62 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.561 ( 5.760 3.931 -4.463) 8.279 3.102 ( 0.538 7.936 -1.478) 8.090 3.219 ( 6.863 17.662 1.613) 19.018 4.387 ( 2.111 1.213 -9.822) 10.119 4.766 ( 10.191 6.118 3.982) 12.536 5.780 ( 13.072 9.604 5.029) 16.982 7.798 ( -1.283 16.025 0.653) 16.090 8.048 ( 5.585 0.477 0.868) 5.672 9.442 ( -4.049 -5.463 -7.249) 9.939 9.798 ( 4.394 0.774 -0.019) 4.462 11.251 ( -33.477 -22.489 -1.733) 40.367 13.981 ( 8.603 -0.252 2.986) 9.110 ======================= Grid point 1132 (348/417) ======================= q-point: ( 0.69 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.649 ( 3.784 1.874 -10.052) 10.903 3.169 ( -1.461 8.347 -2.731) 8.903 3.472 ( 2.033 15.727 2.237) 16.015 4.384 ( 0.783 0.689 -7.104) 7.180 4.957 ( 5.715 1.988 4.123) 7.322 6.063 ( 8.563 5.636 4.351) 11.137 7.898 ( -5.337 15.811 0.088) 16.687 8.225 ( 12.008 2.829 -1.886) 12.480 9.336 ( -0.489 -2.786 -2.648) 3.875 9.899 ( 4.713 0.201 0.981) 4.818 10.479 ( -30.529 -16.157 -2.024) 34.600 14.127 ( 8.283 -2.817 4.246) 9.725 ======================= Grid point 1133 (349/417) ======================= q-point: ( 0.75 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.663 ( 1.287 0.083 -12.737) 12.802 3.197 ( -3.698 8.037 -3.064) 9.363 3.616 ( -3.220 13.589 2.024) 14.111 4.399 ( 2.311 1.468 -5.815) 6.427 5.036 ( 1.686 -1.489 4.088) 4.666 6.214 ( 3.086 1.460 3.907) 5.188 7.942 ( -7.510 15.676 -0.334) 17.385 8.461 ( 12.659 1.351 -6.147) 14.137 9.370 ( 5.552 1.189 1.297) 5.824 9.789 ( -14.248 -12.901 2.270) 19.354 10.060 ( -4.966 3.371 -0.812) 6.056 14.234 ( 6.664 -4.566 4.075) 9.048 ======================= Grid point 1143 (350/417) ======================= q-point: ( 0.38 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( 0.000 20.087 9.029) 22.023 2.006 ( 0.000 12.069 22.007) 25.099 2.691 ( -0.000 34.778 0.515) 34.782 2.832 ( -0.000 4.458 -4.737) 6.504 3.213 ( -0.000 20.682 4.633) 21.194 5.308 ( -0.000 -5.741 -6.455) 8.639 6.919 ( -0.000 9.672 1.554) 9.796 8.589 ( -0.000 14.500 0.566) 14.511 9.600 ( -0.000 0.311 -21.634) 21.636 10.010 ( 0.000 -7.027 -0.793) 7.071 13.079 ( 0.000 -16.478 12.151) 20.474 13.877 ( -0.000 7.702 -15.806) 17.583 ======================= Grid point 1144 (351/417) ======================= q-point: ( 0.44 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( 10.422 20.701 7.247) 24.283 2.161 ( 0.239 5.917 17.643) 18.610 2.875 ( 1.258 6.359 -4.815) 8.075 3.167 ( 12.984 35.097 -6.240) 37.938 3.529 ( 8.200 22.200 7.376) 24.789 5.236 ( -1.293 -1.038 -5.775) 6.008 7.088 ( 6.113 12.353 1.411) 13.855 8.609 ( -2.689 -13.535 7.261) 15.593 9.526 ( -4.111 10.867 -21.510) 24.447 9.954 ( 0.924 -4.505 -3.313) 5.668 12.918 ( -2.050 -21.511 14.922) 26.260 13.880 ( -2.052 6.292 -17.758) 18.951 ======================= Grid point 1145 (352/417) ======================= q-point: ( 0.50 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( 1.731 5.205 10.479) 11.828 2.429 ( 13.472 21.090 6.362) 25.822 2.965 ( 2.195 8.450 -4.588) 9.863 3.718 ( 17.543 22.785 -7.405) 29.695 3.957 ( 11.989 22.104 5.441) 25.728 5.228 ( 0.981 4.476 -2.770) 5.355 7.374 ( 9.083 16.430 1.578) 18.840 8.348 ( -9.753 -14.136 3.598) 17.547 9.507 ( 0.243 0.534 -10.862) 10.878 9.906 ( -1.591 -2.358 -5.976) 6.619 12.651 ( -7.246 -27.209 13.484) 31.220 13.823 ( -4.112 5.904 -14.981) 16.619 ======================= Grid point 1146 (353/417) ======================= q-point: ( 0.56 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.392 ( 3.471 4.923 4.376) 7.445 2.886 ( 11.954 20.335 6.315) 24.419 3.085 ( 1.896 11.834 -5.074) 13.015 4.132 ( 13.068 9.958 -6.223) 17.569 4.368 ( 11.133 15.958 0.769) 19.473 5.375 ( 7.534 11.144 1.904) 13.586 7.715 ( 7.285 20.455 1.979) 21.804 8.096 ( -6.963 -6.937 1.813) 9.994 9.468 ( 1.532 -4.971 -7.339) 8.995 9.805 ( -3.676 -3.716 -4.466) 6.875 12.186 ( -17.415 -29.537 6.244) 34.853 13.794 ( -0.037 3.554 -6.486) 7.396 ======================= Grid point 1147 (354/417) ======================= q-point: ( 0.62 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.508 ( 3.887 3.868 -1.106) 5.594 3.183 ( 1.855 10.625 0.298) 10.790 3.323 ( 6.797 23.455 0.701) 24.430 4.317 ( 4.668 2.921 -8.038) 9.744 4.675 ( 9.534 8.988 2.574) 13.353 5.684 ( 11.563 11.766 3.701) 16.907 7.980 ( 1.927 2.111 1.739) 3.346 8.038 ( -0.810 19.626 1.883) 19.733 9.399 ( -0.720 -6.244 -6.891) 9.327 9.736 ( 1.620 -1.795 -1.312) 2.751 11.526 ( -25.990 -26.664 -0.137) 37.235 13.845 ( 5.414 -1.382 0.377) 5.600 ======================= Grid point 1148 (355/417) ======================= q-point: ( 0.69 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.587 ( 2.788 2.451 -5.768) 6.859 3.295 ( -1.298 12.212 -2.163) 12.470 3.648 ( 2.507 22.826 2.900) 23.145 4.353 ( 1.218 1.145 -7.019) 7.216 4.888 ( 6.390 3.534 3.257) 7.996 5.980 ( 9.587 6.847 3.709) 12.351 8.058 ( 7.239 0.527 0.455) 7.272 8.232 ( -5.986 25.223 1.911) 25.993 9.298 ( -0.924 -4.980 -3.810) 6.338 9.808 ( 6.109 0.100 -0.027) 6.110 10.805 ( -27.962 -19.962 -2.965) 34.484 13.939 ( 8.573 -5.935 3.132) 10.887 ======================= Grid point 1149 (356/417) ======================= q-point: ( 0.75 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.615 ( 0.991 1.391 -8.680) 8.846 3.366 ( -4.143 12.788 -3.004) 13.774 3.874 ( -3.582 21.786 3.291) 22.322 4.363 ( 1.330 1.336 -5.761) 6.061 4.989 ( 2.963 -1.234 3.014) 4.403 6.167 ( 5.644 1.639 3.625) 6.905 8.212 ( 7.142 2.425 -1.144) 7.628 8.357 ( -7.202 23.160 0.401) 24.257 9.284 ( 4.428 -1.235 0.066) 4.598 9.846 ( -3.320 -6.993 1.939) 7.980 10.236 ( -16.238 -5.494 -4.341) 17.684 14.033 ( 9.363 -8.844 3.418) 13.325 ======================= Grid point 1160 (357/417) ======================= q-point: ( 0.44 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( -0.000 20.469 6.093) 21.356 2.262 ( 0.000 3.781 13.471) 13.991 2.900 ( -0.000 5.529 -5.020) 7.468 3.390 ( -0.000 33.130 -6.912) 33.843 3.744 ( -0.000 27.642 7.520) 28.647 5.231 ( -0.000 2.172 -4.945) 5.401 7.156 ( -0.000 12.725 0.866) 12.754 8.515 ( 0.000 -15.208 6.030) 16.360 9.617 ( -0.000 9.101 -21.412) 23.266 9.862 ( 0.000 -6.832 -0.221) 6.835 12.745 ( 0.000 -26.665 16.044) 31.120 13.917 ( -0.000 8.264 -17.135) 19.024 ======================= Grid point 1161 (358/417) ======================= q-point: ( 0.50 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.330 ( 0.385 3.671 8.035) 8.842 2.428 ( 10.805 19.031 5.712) 22.618 2.975 ( 3.491 7.056 -5.157) 9.411 3.724 ( 6.767 23.317 -3.693) 24.559 4.085 ( 4.290 27.004 3.120) 27.521 5.266 ( 0.471 7.706 -2.847) 8.229 7.369 ( 8.726 14.265 0.664) 16.735 8.340 ( -4.570 -13.475 2.115) 14.385 9.543 ( -5.774 1.235 -10.621) 12.152 9.841 ( 2.579 -4.482 -3.804) 6.419 12.485 ( -2.727 -31.592 14.974) 35.067 13.915 ( -3.600 8.269 -15.154) 17.635 ======================= Grid point 1162 (359/417) ======================= q-point: ( 0.56 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.404 ( 1.889 3.396 4.055) 5.617 2.861 ( 14.387 16.726 6.194) 22.915 3.127 ( 5.562 11.746 -5.838) 14.247 4.035 ( 8.717 12.425 -1.438) 15.246 4.410 ( 5.060 19.807 -1.028) 20.469 5.405 ( 3.892 13.881 0.053) 14.416 7.732 ( 13.533 17.423 0.991) 22.084 8.138 ( -5.699 -7.571 -0.256) 9.480 9.425 ( -3.567 -2.700 -5.146) 6.819 9.792 ( -1.356 -4.764 -3.748) 6.212 12.107 ( -7.974 -34.292 10.385) 36.706 13.865 ( -5.169 6.161 -10.124) 12.930 ======================= Grid point 1163 (360/417) ======================= q-point: ( 0.62 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.487 ( 2.771 3.027 0.929) 4.208 3.212 ( 7.789 9.548 2.889) 12.656 3.413 ( 9.883 22.144 -2.290) 24.358 4.241 ( 5.773 4.402 -2.854) 7.800 4.655 ( 5.386 12.389 -0.132) 13.510 5.657 ( 7.248 14.359 1.529) 16.157 7.983 ( -1.981 -1.114 0.333) 2.297 8.188 ( 10.609 20.569 1.042) 23.167 9.332 ( -1.341 -4.600 -4.074) 6.289 9.706 ( -1.634 -2.880 -2.030) 3.884 11.595 ( -15.025 -32.255 4.188) 35.828 13.809 ( -2.544 1.351 -3.893) 4.843 ======================= Grid point 1164 (361/417) ======================= q-point: ( 0.69 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.557 ( 2.220 2.411 -1.915) 3.796 3.406 ( 2.935 11.621 -0.700) 12.006 3.806 ( 7.881 22.966 2.005) 24.363 4.319 ( 2.017 1.620 -4.594) 5.272 4.845 ( 4.991 6.479 1.621) 8.337 5.910 ( 7.411 8.243 1.902) 11.246 7.981 ( 2.528 0.943 0.482) 2.741 8.550 ( 2.414 24.985 2.312) 25.208 9.250 ( -1.056 -4.933 -3.200) 5.974 9.707 ( 4.254 0.130 -0.949) 4.361 10.997 ( -20.210 -25.465 -0.635) 32.516 13.785 ( 2.304 -4.578 0.475) 5.147 ======================= Grid point 1165 (362/417) ======================= q-point: ( 0.75 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.596 ( 0.842 2.073 -4.227) 4.783 3.545 ( -1.118 13.801 -1.992) 13.989 4.134 ( 2.209 21.854 4.907) 22.507 4.338 ( 1.025 1.631 -5.668) 5.986 4.953 ( 1.837 1.891 1.183) 2.889 6.080 ( 6.233 0.592 2.421) 6.713 8.080 ( 6.423 1.794 -0.127) 6.670 8.774 ( -6.388 25.037 2.412) 25.951 9.203 ( 2.170 -2.683 -0.376) 3.471 9.800 ( 3.857 -0.652 0.261) 3.921 10.435 ( -18.427 -14.034 -4.055) 23.515 13.799 ( 6.662 -9.331 2.164) 11.668 ======================= Grid point 1178 (363/417) ======================= q-point: ( 0.50 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.377 ( 0.000 2.107 4.984) 5.411 2.529 ( -0.000 17.812 5.023) 18.507 2.985 ( -0.000 6.550 -5.322) 8.440 3.881 ( -0.000 18.825 -0.205) 18.826 4.323 ( -0.000 24.917 0.043) 24.917 5.355 ( -0.000 12.903 -2.052) 13.065 7.413 ( -0.000 11.951 -0.127) 11.951 8.262 ( 0.000 -10.126 -0.794) 10.157 9.573 ( -0.000 -2.335 -9.982) 10.252 9.759 ( 0.000 -2.912 0.471) 2.950 12.221 ( 0.000 -35.487 14.317) 38.266 13.991 ( -0.000 9.220 -13.644) 16.467 ======================= Grid point 1179 (364/417) ======================= q-point: ( 0.56 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.417 ( 1.009 1.937 3.019) 3.726 2.807 ( 10.318 14.201 5.399) 18.365 3.097 ( 6.493 9.331 -5.801) 12.763 4.066 ( 2.707 11.648 1.927) 12.112 4.553 ( 1.112 18.992 -2.191) 19.151 5.514 ( 1.515 17.242 -1.129) 17.345 7.636 ( 12.341 11.607 -0.356) 16.946 8.145 ( -3.318 -5.385 -2.862) 6.943 9.463 ( -4.505 -3.847 -4.009) 7.153 9.754 ( 0.273 -1.421 -0.664) 1.592 11.872 ( -2.903 -37.830 11.478) 39.640 13.997 ( -4.771 8.158 -10.742) 14.307 ======================= Grid point 1180 (365/417) ======================= q-point: ( 0.62 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.474 ( 2.201 2.012 2.258) 3.741 3.133 ( 11.402 7.625 3.934) 14.269 3.388 ( 13.883 16.914 -4.356) 22.311 4.208 ( 3.106 5.119 2.165) 6.367 4.726 ( 1.317 13.200 -2.121) 13.434 5.728 ( 3.116 16.713 -0.665) 17.014 8.013 ( 3.434 4.882 -0.949) 6.044 8.079 ( 13.351 7.532 -2.274) 15.497 9.339 ( -4.242 -3.736 -1.172) 5.773 9.726 ( -2.472 0.864 -0.660) 2.701 11.447 ( -6.385 -36.847 7.363) 38.114 13.922 ( -7.739 5.101 -6.794) 11.492 ======================= Grid point 1181 (366/417) ======================= q-point: ( 0.69 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.541 ( 2.199 1.975 1.406) 3.273 3.396 ( 9.479 7.886 1.239) 12.392 3.825 ( 14.845 19.285 -1.582) 24.388 4.290 ( 2.040 1.641 0.955) 2.787 4.856 ( 2.230 7.753 -0.538) 8.085 5.922 ( 2.658 11.032 -0.481) 11.358 7.988 ( -1.268 2.721 -1.026) 3.173 8.566 ( 19.789 15.254 -0.776) 24.998 9.237 ( -3.085 -3.299 -0.460) 4.541 9.703 ( -1.999 3.676 -0.188) 4.188 10.977 ( -9.970 -31.287 3.325) 33.005 13.802 ( -6.959 0.420 -2.829) 7.523 ======================= Grid point 1182 (367/417) ======================= q-point: ( 0.75 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1034 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.593 ( 1.173 2.033 -0.000) 2.347 3.628 ( 6.142 10.638 -0.000) 12.284 4.234 ( 10.249 17.752 -0.000) 20.498 4.326 ( 0.578 1.002 -0.000) 1.157 4.958 ( 2.611 4.523 -0.000) 5.223 6.022 ( 1.266 2.194 -0.000) 2.533 8.034 ( 2.420 4.191 -0.000) 4.839 8.982 ( 8.981 15.556 -0.000) 17.963 9.167 ( -1.357 -2.350 -0.000) 2.714 9.749 ( 2.634 4.563 -0.000) 5.269 10.525 ( -11.772 -20.390 -0.000) 23.545 13.688 ( -2.743 -4.751 -0.000) 5.486 ======================= Grid point 1196 (368/417) ======================= q-point: ( 0.56 0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.433 ( 0.000 1.401 3.015) 3.324 2.859 ( 0.000 10.937 5.026) 12.037 3.104 ( -0.000 9.487 -5.441) 10.936 4.155 ( 0.000 7.898 3.666) 8.707 4.713 ( -0.000 15.721 -2.793) 15.967 5.677 ( -0.000 18.365 -2.041) 18.478 7.609 ( -0.000 7.664 -0.657) 7.692 8.128 ( -0.000 -1.147 -4.347) 4.496 9.441 ( -0.000 -5.733 -1.810) 6.012 9.764 ( -0.000 2.961 0.689) 3.040 11.541 ( 0.000 -39.706 9.894) 40.921 14.093 ( -0.000 8.422 -9.431) 12.644 ======================= Grid point 1197 (369/417) ======================= q-point: ( 0.62 0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.471 ( 1.290 1.599 4.212) 4.686 3.037 ( 8.036 5.974 3.885) 10.740 3.290 ( 10.948 12.653 -4.209) 17.253 4.237 ( 0.805 4.165 4.343) 6.071 4.839 ( -0.369 11.816 -2.871) 12.165 5.856 ( 1.139 16.344 -2.474) 16.569 7.814 ( 15.600 6.541 -0.788) 16.934 8.097 ( -2.958 2.980 -3.737) 5.621 9.361 ( -2.702 -4.331 0.459) 5.125 9.794 ( -1.588 4.908 0.278) 5.166 11.157 ( -1.836 -38.924 7.204) 39.627 14.090 ( -6.115 6.996 -7.237) 11.777 ======================= Grid point 1198 (370/417) ======================= q-point: ( 0.69 0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.533 ( 1.885 1.790 4.969) 5.608 3.272 ( 11.657 4.772 2.422) 12.827 3.679 ( 18.654 13.661 -3.089) 23.327 4.295 ( 0.774 1.908 4.444) 4.898 4.916 ( -0.727 7.278 -2.312) 7.671 6.011 ( 0.684 11.958 -2.487) 12.233 8.070 ( -3.709 5.629 -1.776) 6.971 8.249 ( 25.784 7.176 -1.573) 26.810 9.273 ( -3.717 -2.199 1.095) 4.455 9.807 ( -3.196 5.851 0.038) 6.667 10.765 ( -2.826 -34.213 4.899) 34.677 13.979 ( -10.576 4.380 -4.667) 12.362 ======================= Grid point 1214 (371/417) ======================= q-point: ( 0.62 0.62 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.496 ( 0.000 1.885 7.114) 7.360 3.026 ( 0.000 4.015 3.249) 5.165 3.290 ( -0.000 10.757 -3.155) 11.210 4.280 ( 0.000 2.606 5.058) 5.690 4.941 ( -0.000 9.290 -3.218) 9.832 5.988 ( -0.000 13.671 -3.398) 14.087 7.715 ( -0.000 3.550 -0.155) 3.553 8.165 ( -0.000 7.089 -2.475) 7.509 9.350 ( 0.000 -2.823 1.227) 3.078 9.866 ( -0.000 6.073 0.032) 6.073 10.801 ( 0.000 -38.264 5.103) 38.603 14.194 ( -0.000 6.803 -6.400) 9.340 ======================= Grid point 1216 (372/417) ======================= q-point: (-0.31 -0.38 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.552 ( 0.773 2.074 9.157) 9.421 3.141 ( 7.963 2.867 2.745) 8.897 3.496 ( 12.833 9.343 -2.486) 16.067 4.322 ( 0.265 1.752 5.280) 5.569 4.995 ( -1.369 5.938 -3.330) 6.944 6.102 ( 0.495 10.092 -3.521) 10.700 7.900 ( 17.220 2.981 -0.403) 17.481 8.215 ( -3.557 9.678 0.183) 10.313 9.318 ( -2.212 -0.185 0.995) 2.433 9.907 ( -2.060 4.875 -0.604) 5.327 10.452 ( 0.679 -33.594 3.350) 33.768 14.174 ( -7.074 5.413 -5.046) 10.237 ======================= Grid point 1233 (373/417) ======================= q-point: (-0.31 -0.31 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.606 ( 0.000 2.219 12.647) 12.840 3.098 ( 0.000 1.540 2.567) 2.993 3.450 ( -0.000 6.425 -1.897) 6.699 4.355 ( 0.000 1.960 5.525) 5.863 5.045 ( -0.000 3.632 -3.877) 5.312 6.173 ( -0.000 7.172 -3.703) 8.071 7.766 ( 0.000 1.684 0.796) 1.862 8.367 ( -0.000 12.253 3.348) 12.702 9.350 ( -0.000 2.456 -0.004) 2.456 9.973 ( -0.000 4.160 -0.925) 4.261 10.117 ( 0.000 -31.010 0.554) 31.015 14.273 ( -0.000 4.652 -4.761) 6.656 ======================= Grid point 1389 (374/417) ======================= q-point: ( 0.31 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( 0.000 -0.000 15.865) 15.865 1.089 ( 0.000 -0.000 15.865) 15.865 2.188 ( 0.000 -0.000 34.319) 34.319 2.737 ( -0.000 0.000 -4.311) 4.311 2.737 ( -0.000 0.000 -4.311) 4.311 5.993 ( -0.000 0.000 -16.101) 16.101 6.724 ( 0.000 -0.000 1.718) 1.718 6.724 ( 0.000 -0.000 1.718) 1.718 10.176 ( -0.000 0.000 -1.098) 1.098 10.176 ( -0.000 0.000 -1.098) 1.098 13.345 ( 0.000 -0.000 4.184) 4.184 13.624 ( -0.000 0.000 -2.667) 2.667 ======================= Grid point 1390 (375/417) ======================= q-point: ( 0.38 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( 11.928 6.886 12.908) 18.876 1.528 ( 26.054 15.042 14.102) 33.226 2.316 ( 4.164 2.404 22.546) 23.053 2.729 ( 1.192 0.688 -3.980) 4.211 2.897 ( 13.289 7.673 -0.711) 15.362 5.530 ( -15.914 -9.188 -6.877) 19.620 6.785 ( 4.448 2.568 1.440) 5.334 7.714 ( 56.561 32.655 -13.796) 66.752 9.857 ( -23.830 -13.758 -1.862) 27.579 10.132 ( -3.420 -1.975 -1.083) 4.095 13.313 ( -3.928 -2.268 6.157) 7.648 13.725 ( 7.106 4.103 -8.546) 11.847 ======================= Grid point 1391 (376/417) ======================= q-point: ( 0.44 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( 17.829 10.293 8.858) 22.411 2.028 ( 8.209 4.739 21.226) 23.246 2.720 ( 29.686 17.139 -0.586) 34.283 2.763 ( 2.763 1.595 -3.494) 4.731 3.292 ( 19.409 11.206 3.358) 22.662 5.273 ( -5.869 -3.388 -6.224) 9.201 6.935 ( 8.050 4.648 1.133) 9.365 8.721 ( 22.307 12.879 -0.964) 25.776 9.305 ( -11.175 -6.452 -14.709) 19.567 10.020 ( -5.650 -3.262 -1.066) 6.611 13.221 ( -6.658 -3.844 11.505) 13.837 13.772 ( -0.082 -0.047 -16.337) 16.337 ======================= Grid point 1392 (377/417) ======================= q-point: ( 0.50 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( 19.134 11.047 5.762) 22.833 2.194 ( 3.709 2.141 14.505) 15.124 2.829 ( 3.756 2.169 -2.927) 5.232 3.480 ( 33.170 19.151 -7.738) 39.075 3.776 ( 20.553 11.866 5.301) 24.317 5.188 ( 0.015 0.008 -3.490) 3.490 7.154 ( 10.320 5.958 0.926) 11.952 8.512 ( -19.845 -11.458 5.958) 23.677 9.517 ( 14.411 8.320 -17.116) 23.872 9.883 ( -5.496 -3.173 -1.029) 6.429 13.016 ( -16.923 -9.771 11.155) 22.501 13.688 ( 0.421 0.243 -14.316) 14.324 ======================= Grid point 1393 (378/417) ======================= q-point: ( 0.56 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.335 ( 5.455 3.149 6.277) 8.892 2.576 ( 17.704 10.222 3.485) 20.738 2.912 ( 4.040 2.332 -2.240) 5.175 4.076 ( 19.458 11.234 -11.476) 25.229 4.250 ( 18.420 10.635 4.991) 21.848 5.285 ( 9.380 5.416 2.134) 11.040 7.398 ( 9.971 5.757 0.759) 11.538 8.164 ( -10.737 -6.199 3.842) 12.979 9.622 ( -0.124 -0.072 -11.617) 11.617 9.782 ( -2.470 -1.426 -0.864) 2.981 12.473 ( -30.553 -17.640 0.894) 35.290 13.758 ( 6.996 4.039 -1.617) 8.239 ======================= Grid point 1394 (379/417) ======================= q-point: ( 0.62 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.475 ( 5.626 3.248 -1.363) 6.638 2.955 ( 13.206 7.624 -1.799) 15.354 3.001 ( 4.977 2.873 2.070) 6.108 4.309 ( 5.614 3.241 -10.878) 12.663 4.638 ( 13.586 7.844 4.342) 16.277 5.607 ( 15.422 8.904 4.803) 18.444 7.598 ( 6.882 3.973 0.402) 7.957 8.050 ( -0.271 -0.157 2.789) 2.806 9.507 ( -5.428 -3.134 -7.757) 9.973 9.776 ( 2.154 1.244 -0.409) 2.521 11.683 ( -36.013 -20.792 -3.475) 41.729 13.947 ( 8.072 4.661 4.248) 10.243 ======================= Grid point 1395 (380/417) ======================= q-point: ( 0.69 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.573 ( 4.040 2.333 -8.135) 9.377 3.058 ( 2.862 1.652 -3.063) 4.506 3.260 ( 10.148 5.859 2.744) 12.035 4.345 ( 1.444 0.834 -7.733) 7.911 4.903 ( 8.123 4.690 4.163) 10.261 5.949 ( 11.924 6.884 4.426) 14.462 7.715 ( 3.387 1.955 -0.200) 3.916 8.149 ( 7.643 4.413 0.663) 8.850 9.375 ( -3.459 -1.997 -3.747) 5.477 9.864 ( 4.916 2.838 0.291) 5.683 10.844 ( -34.473 -19.903 -3.279) 39.940 14.134 ( 6.447 3.722 5.373) 9.181 ======================= Grid point 1406 (381/417) ======================= q-point: ( 0.38 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( 0.000 13.327 11.190) 17.402 1.572 ( 0.000 31.799 13.082) 34.385 2.385 ( 0.000 1.658 18.728) 18.801 2.744 ( -0.000 2.749 -4.367) 5.160 2.866 ( -0.000 14.357 1.854) 14.476 5.508 ( -0.000 -17.797 -7.202) 19.199 6.779 ( 0.000 4.760 1.601) 5.022 7.670 ( -0.000 62.403 -11.073) 63.377 9.889 ( 0.000 -23.130 -3.289) 23.362 10.124 ( 0.000 -4.262 -0.856) 4.347 13.323 ( 0.000 -5.587 6.387) 8.485 13.692 ( -0.000 6.622 -7.611) 10.089 ======================= Grid point 1407 (382/417) ======================= q-point: ( 0.44 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( 9.852 17.214 8.385) 21.533 2.036 ( 8.690 18.044 18.950) 27.572 2.546 ( 10.728 16.510 0.022) 19.690 2.764 ( 0.616 4.728 -3.496) 5.912 3.159 ( 12.033 16.740 4.840) 21.177 5.297 ( -4.529 -7.214 -6.244) 10.562 6.891 ( 4.901 7.537 1.269) 9.080 8.458 ( 24.525 36.739 -5.819) 44.554 9.459 ( -17.371 -18.149 -8.744) 26.601 10.052 ( -2.487 -4.993 -1.066) 5.679 13.261 ( -1.892 -8.638 10.430) 13.674 13.732 ( 0.589 3.172 -13.471) 13.852 ======================= Grid point 1408 (383/417) ======================= q-point: ( 0.50 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( 13.529 19.259 5.717) 24.220 2.235 ( 0.702 3.050 15.715) 16.024 2.812 ( 2.125 5.479 -3.048) 6.620 3.156 ( 26.467 27.451 -7.090) 38.785 3.601 ( 16.818 16.413 5.222) 24.073 5.186 ( -1.463 -0.971 -4.328) 4.671 7.098 ( 7.420 11.132 1.032) 13.418 8.698 ( -13.291 -16.929 8.367) 23.093 9.308 ( 11.830 14.575 -18.020) 26.021 9.943 ( -4.350 -3.251 -1.696) 5.689 13.128 ( -6.666 -15.236 12.941) 21.072 13.675 ( -2.548 2.838 -16.011) 16.459 ======================= Grid point 1409 (384/417) ======================= q-point: ( 0.56 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.326 ( 2.336 3.280 7.977) 8.935 2.479 ( 13.182 19.800 3.529) 24.047 2.900 ( 2.163 6.395 -1.820) 6.992 3.813 ( 22.604 18.490 -8.941) 30.541 4.073 ( 17.365 14.181 4.279) 22.824 5.219 ( 4.878 4.891 -0.122) 6.909 7.363 ( 7.331 14.386 1.029) 16.179 8.301 ( -13.184 -11.909 4.018) 18.215 9.510 ( 6.233 -0.542 -9.230) 11.151 9.837 ( -4.477 -1.099 -2.357) 5.178 12.728 ( -20.786 -22.450 3.116) 30.754 13.689 ( 4.113 4.713 -4.515) 7.715 ======================= Grid point 1410 (385/417) ======================= q-point: ( 0.62 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.430 ( 3.532 3.563 1.417) 5.213 2.889 ( 10.061 19.046 -0.203) 21.541 3.002 ( 2.233 7.353 1.095) 7.762 4.189 ( 9.823 7.207 -9.808) 15.640 4.492 ( 14.819 10.241 3.823) 18.414 5.467 ( 13.132 10.383 3.442) 17.091 7.621 ( 3.744 16.164 1.037) 16.625 8.075 ( -4.344 -5.077 3.441) 7.516 9.494 ( -0.445 -5.177 -6.737) 8.508 9.762 ( -1.078 -0.936 -1.214) 1.874 12.032 ( -30.726 -23.993 -3.580) 39.148 13.843 ( 8.551 2.313 3.506) 9.527 ======================= Grid point 1411 (386/417) ======================= q-point: ( 0.69 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.515 ( 2.924 2.751 -4.554) 6.071 3.075 ( 0.447 8.825 -3.566) 9.529 3.249 ( 6.514 16.869 3.849) 18.488 4.298 ( 2.755 2.125 -7.688) 8.439 4.806 ( 10.418 5.869 3.758) 12.534 5.824 ( 13.231 9.363 3.876) 16.666 7.805 ( -1.834 16.473 0.802) 16.594 8.065 ( 4.656 -0.331 2.527) 5.308 9.384 ( -2.844 -4.757 -4.158) 6.929 9.797 ( 4.839 0.911 -0.234) 4.930 11.218 ( -33.535 -21.957 -4.864) 40.377 14.025 ( 9.312 -0.863 5.589) 10.895 ======================= Grid point 1424 (387/417) ======================= q-point: ( 0.44 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( 0.000 18.976 6.699) 20.124 2.216 ( 0.000 11.697 19.788) 22.987 2.656 ( -0.000 29.357 -7.005) 30.181 2.785 ( -0.000 4.263 -4.367) 6.103 3.276 ( 0.000 22.137 7.014) 23.221 5.245 ( -0.000 -5.523 -5.720) 7.951 6.933 ( -0.000 9.523 1.222) 9.601 8.606 ( -0.000 26.210 2.687) 26.348 9.406 ( -0.000 -11.251 -17.036) 20.416 10.004 ( 0.000 -6.904 -0.423) 6.917 13.203 ( 0.000 -13.556 12.713) 18.584 13.726 ( -0.000 4.814 -14.301) 15.089 ======================= Grid point 1425 (388/417) ======================= q-point: ( 0.50 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.038 ( 10.313 20.210 5.095) 23.254 2.317 ( -0.810 1.934 12.699) 12.871 2.830 ( 1.564 6.265 -4.085) 7.641 3.100 ( 12.887 34.500 -6.134) 37.336 3.599 ( 7.661 22.748 5.974) 24.736 5.184 ( -0.853 -0.380 -4.305) 4.405 7.100 ( 6.203 12.247 0.915) 13.759 8.691 ( -3.686 -16.327 8.867) 18.942 9.321 ( -0.748 15.414 -18.723) 24.263 9.933 ( -0.343 -5.691 -1.226) 5.832 13.066 ( -2.307 -20.463 14.456) 25.161 13.710 ( -2.186 6.009 -15.823) 17.067 ======================= Grid point 1426 (389/417) ======================= q-point: ( 0.56 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( 0.859 2.821 6.207) 6.872 2.483 ( 13.015 21.140 4.023) 25.149 2.926 ( 2.700 7.583 -2.980) 8.583 3.655 ( 16.689 24.625 -4.675) 30.113 4.000 ( 11.215 19.981 3.019) 23.112 5.206 ( 2.360 5.618 -1.552) 6.289 7.386 ( 9.307 16.502 0.854) 18.965 8.381 ( -10.252 -16.025 2.618) 19.203 9.413 ( 1.962 3.520 -7.168) 8.223 9.866 ( -1.916 -3.451 -2.411) 4.625 12.764 ( -10.380 -27.337 8.622) 30.486 13.697 ( -0.964 6.892 -9.488) 11.767 ======================= Grid point 1427 (390/417) ======================= q-point: ( 0.62 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.425 ( 2.024 3.275 2.027) 4.351 2.934 ( 11.456 22.959 2.183) 25.751 3.048 ( 2.499 8.979 -1.285) 9.408 4.072 ( 10.925 11.840 -5.169) 16.919 4.383 ( 11.959 14.327 1.732) 18.742 5.392 ( 8.994 11.638 1.329) 14.769 7.731 ( 7.500 20.773 1.116) 22.114 8.115 ( -6.440 -8.070 1.887) 10.496 9.409 ( 1.018 -4.190 -4.009) 5.887 9.775 ( -2.992 -3.672 -1.706) 5.034 12.218 ( -21.130 -28.560 0.169) 35.527 13.758 ( 3.816 2.994 -0.449) 4.871 ======================= Grid point 1428 (391/417) ======================= q-point: ( 0.69 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.494 ( 1.887 3.071 -1.702) 3.986 3.168 ( 0.537 11.734 -2.813) 12.079 3.347 ( 8.002 22.433 3.643) 24.095 4.248 ( 3.721 4.167 -5.628) 7.930 4.702 ( 10.370 8.409 2.618) 13.605 5.713 ( 12.240 11.434 2.243) 16.899 7.998 ( 1.953 2.090 1.815) 3.388 8.057 ( -0.639 19.237 2.042) 19.356 9.349 ( -0.794 -5.726 -3.095) 6.557 9.726 ( 2.212 -1.756 -0.541) 2.875 11.505 ( -27.826 -25.522 -4.110) 37.981 13.867 ( 7.389 -2.549 3.986) 8.774 ======================= Grid point 1442 (392/417) ======================= q-point: ( 0.50 0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.157 ( -0.000 20.235 4.167) 20.660 2.366 ( 0.000 0.446 6.796) 6.810 2.852 ( -0.000 5.231 -4.251) 6.740 3.339 ( -0.000 34.812 -2.763) 34.922 3.805 ( -0.000 25.887 4.543) 26.282 5.188 ( -0.000 2.997 -3.551) 4.647 7.163 ( -0.000 12.398 0.444) 12.406 8.571 ( 0.000 -19.320 4.615) 19.864 9.435 ( -0.000 13.765 -14.147) 19.739 9.862 ( 0.000 -6.628 0.192) 6.631 12.902 ( 0.000 -26.458 14.965) 30.397 13.754 ( -0.000 8.688 -15.040) 17.369 ======================= Grid point 1443 (393/417) ======================= q-point: ( 0.56 0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.386 ( 0.294 1.991 2.838) 3.479 2.476 ( 10.950 19.173 3.631) 22.376 2.927 ( 3.560 6.439 -4.102) 8.424 3.707 ( 6.395 25.710 0.634) 26.501 4.106 ( 3.744 24.087 1.008) 24.397 5.240 ( 1.101 8.641 -2.160) 8.974 7.373 ( 8.956 13.958 0.077) 16.584 8.351 ( -4.714 -15.912 -0.137) 16.596 9.460 ( -3.606 4.236 -5.161) 7.588 9.821 ( 1.146 -4.687 -0.754) 4.883 12.622 ( -4.110 -32.131 11.977) 34.536 13.778 ( -2.423 9.375 -11.763) 15.236 ======================= Grid point 1444 (394/417) ======================= q-point: ( 0.62 0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.430 ( 1.528 2.666 1.076) 3.256 2.917 ( 15.090 18.124 4.627) 24.033 3.071 ( 5.240 10.069 -4.905) 12.365 4.036 ( 7.104 13.998 1.783) 15.799 4.399 ( 5.373 18.347 -1.297) 19.161 5.402 ( 4.892 14.205 -0.669) 15.038 7.737 ( 14.050 17.199 -0.080) 22.208 8.131 ( -4.957 -8.933 -1.185) 10.284 9.393 ( -3.573 -1.718 -0.865) 4.058 9.770 ( -1.622 -4.391 -0.723) 4.737 12.189 ( -10.896 -34.117 5.797) 36.281 13.785 ( -2.392 6.346 -5.606) 8.799 ======================= Grid point 1445 (395/417) ======================= q-point: ( 0.69 0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1032 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.491 ( 1.742 3.016 -0.000) 3.483 3.227 ( 5.278 9.142 0.000) 10.556 3.401 ( 12.877 22.303 -0.000) 25.754 4.226 ( 3.287 5.694 -0.000) 6.575 4.654 ( 6.838 11.843 -0.000) 13.676 5.664 ( 8.064 13.967 -0.000) 16.128 7.984 ( -1.203 -2.084 -0.000) 2.407 8.193 ( 11.748 20.347 -0.000) 23.495 9.311 ( -2.292 -3.970 -0.000) 4.584 9.696 ( -1.533 -2.656 -0.000) 3.067 11.616 ( -17.959 -31.106 -0.000) 35.918 13.789 ( 0.215 0.373 -0.000) 0.430 ======================= Grid point 1460 (396/417) ======================= q-point: ( 0.56 0.56 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.404 ( -0.000 1.643 0.419) 1.695 2.573 ( -0.000 18.364 3.525) 18.700 2.936 ( -0.000 5.980 -4.266) 7.346 3.903 ( -0.000 20.232 4.576) 20.743 4.317 ( -0.000 22.751 -1.470) 22.798 5.332 ( -0.000 13.467 -2.380) 13.675 7.410 ( -0.000 11.650 -0.414) 11.657 8.243 ( 0.000 -11.960 -2.970) 12.323 9.513 ( -0.000 -0.233 -1.907) 1.921 9.765 ( 0.000 -2.773 0.722) 2.866 12.352 ( 0.000 -36.555 11.500) 38.322 13.866 ( -0.000 10.484 -10.940) 15.152 ======================= Grid point 1461 (397/417) ======================= q-point: ( 0.62 0.56 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.435 ( 1.047 2.603 0.590) 2.866 2.859 ( 10.821 15.005 4.674) 19.081 3.040 ( 6.011 8.592 -5.390) 11.790 4.107 ( 2.178 11.979 6.279) 13.699 4.527 ( 1.135 18.312 -3.062) 18.601 5.497 ( 2.008 17.217 -2.385) 17.497 7.630 ( 12.388 11.391 -0.761) 16.846 8.111 ( -2.811 -6.255 -3.697) 7.790 9.451 ( -4.017 -3.073 1.668) 5.326 9.754 ( -0.355 -1.100 0.488) 1.255 11.972 ( -4.010 -38.747 8.279) 39.824 13.902 ( -3.699 9.061 -7.966) 12.619 ======================= Grid point 1479 (398/417) ======================= q-point: (-0.38 -0.38 -0.69) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.458 ( 0.000 3.312 2.051) 3.895 2.911 ( 0.000 10.926 5.199) 12.100 3.048 ( -0.000 9.720 -5.571) 11.204 4.213 ( 0.000 7.361 7.862) 10.770 4.680 ( -0.000 15.676 -3.768) 16.122 5.649 ( -0.000 18.135 -3.562) 18.481 7.603 ( -0.000 7.728 -0.571) 7.749 8.085 ( -0.000 -1.058 -4.074) 4.209 9.450 ( 0.000 -5.418 3.486) 6.443 9.771 ( -0.000 2.785 0.593) 2.848 11.628 ( 0.000 -41.096 7.258) 41.732 14.007 ( -0.000 9.433 -7.512) 12.058 ======================= Grid point 1672 (399/417) ======================= q-point: ( 0.38 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 417 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( 0.000 -0.000 11.555) 11.555 1.227 ( 0.000 -0.000 11.555) 11.555 2.493 ( 0.000 -0.000 25.967) 25.967 2.696 ( -0.000 0.000 -3.711) 3.711 2.696 ( -0.000 0.000 -3.711) 3.711 5.840 ( -0.000 0.000 -13.864) 13.864 6.739 ( 0.000 -0.000 1.326) 1.326 6.739 ( 0.000 -0.000 1.326) 1.326 10.166 ( -0.000 0.000 -0.848) 0.848 10.166 ( -0.000 0.000 -0.848) 0.848 13.387 ( 0.000 -0.000 4.006) 4.006 13.596 ( -0.000 0.000 -2.856) 2.856 ======================= Grid point 1673 (400/417) ======================= q-point: ( 0.44 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( 10.869 6.275 9.007) 15.448 1.650 ( 27.791 16.045 9.941) 33.595 2.486 ( -2.320 -1.340 10.911) 11.236 2.694 ( 1.327 0.766 -2.827) 3.216 2.913 ( 14.751 8.516 3.924) 17.479 5.459 ( -14.775 -8.531 -6.768) 18.355 6.797 ( 4.364 2.520 0.905) 5.120 7.609 ( 53.784 31.052 -7.559) 62.563 9.843 ( -24.717 -14.270 -0.907) 28.555 10.123 ( -3.450 -1.992 -0.824) 4.069 13.374 ( -2.136 -1.233 5.923) 6.416 13.647 ( 3.411 1.969 -7.130) 8.145 ======================= Grid point 1674 (401/417) ======================= q-point: ( 0.50 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( 16.813 9.707 5.655) 20.221 2.229 ( 8.144 4.702 18.694) 20.926 2.676 ( 26.148 15.097 -7.828) 31.191 2.736 ( 2.872 1.658 -1.784) 3.766 3.332 ( 19.712 11.381 3.912) 23.096 5.218 ( -5.320 -3.072 -4.486) 7.607 6.944 ( 8.028 4.635 0.587) 9.288 8.708 ( 36.682 21.178 -1.900) 42.399 9.200 ( -25.031 -14.452 -5.985) 29.517 10.011 ( -5.687 -3.283 -0.829) 6.619 13.338 ( -4.372 -2.524 11.868) 12.897 13.616 ( -2.695 -1.556 -14.984) 15.304 ======================= Grid point 1675 (402/417) ======================= q-point: ( 0.56 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( 18.408 10.628 2.737) 21.431 2.321 ( 0.791 0.457 10.336) 10.376 2.811 ( 3.843 2.219 -0.568) 4.473 3.400 ( 32.046 18.502 -7.595) 37.775 3.820 ( 20.897 12.065 3.014) 24.317 5.163 ( 1.587 0.916 -1.303) 2.248 7.162 ( 10.357 5.980 0.531) 11.972 8.569 ( -21.374 -12.340 4.854) 25.153 9.383 ( 16.498 9.525 -9.154) 21.135 9.873 ( -5.512 -3.182 -0.872) 6.424 13.085 ( -21.240 -12.263 1.284) 24.559 13.592 ( 5.516 3.185 -3.478) 7.258 ======================= Grid point 1676 (403/417) ======================= q-point: ( 0.62 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.387 ( 2.740 1.582 3.768) 4.920 2.593 ( 16.939 9.780 -0.264) 19.561 2.906 ( 4.370 2.523 1.336) 5.220 3.972 ( 18.529 10.698 -8.989) 23.207 4.293 ( 18.588 10.732 3.320) 21.719 5.308 ( 11.080 6.397 2.428) 13.022 7.405 ( 9.957 5.748 0.637) 11.515 8.206 ( -11.006 -6.354 4.166) 13.374 9.533 ( 0.439 0.254 -5.686) 5.709 9.773 ( -2.384 -1.376 -0.860) 2.884 12.444 ( -31.882 -18.407 -6.401) 37.367 13.780 ( 9.012 5.203 5.737) 11.883 ======================= Grid point 1690 (404/417) ======================= q-point: ( 0.44 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( 0.000 12.241 7.021) 14.111 1.680 ( -0.000 33.339 8.356) 34.370 2.511 ( 0.000 -4.534 6.960) 8.307 2.704 ( -0.000 2.504 -3.403) 4.225 2.912 ( 0.000 16.036 6.332) 17.241 5.439 ( -0.000 -16.488 -6.054) 17.564 6.793 ( -0.000 4.788 1.142) 4.922 7.587 ( -0.000 60.454 -5.757) 60.728 9.862 ( 0.000 -25.975 -2.200) 26.068 10.117 ( 0.000 -4.193 -0.483) 4.220 13.386 ( 0.000 -3.048 5.952) 6.687 13.622 ( -0.000 2.953 -6.247) 6.910 ======================= Grid point 1691 (405/417) ======================= q-point: ( 0.50 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( 9.508 16.403 4.655) 19.522 2.206 ( 12.770 24.946 14.501) 31.554 2.513 ( 5.285 6.555 -5.854) 10.255 2.734 ( 1.326 4.334 -2.218) 5.046 3.210 ( 11.190 17.454 4.548) 21.226 5.244 ( -4.209 -6.910 -4.030) 9.039 6.901 ( 4.710 7.642 0.692) 9.004 8.414 ( 26.518 43.174 -2.922) 50.752 9.394 ( -18.286 -25.617 -4.282) 31.764 10.044 ( -2.710 -5.091 -0.551) 5.793 13.367 ( -0.493 -5.426 10.709) 12.015 13.604 ( -1.787 -0.159 -12.088) 12.221 ======================= Grid point 1692 (406/417) ======================= q-point: ( 0.56 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( 12.946 18.973 2.258) 23.080 2.363 ( -1.154 -0.024 8.973) 9.047 2.792 ( 3.113 5.153 -0.823) 6.076 3.088 ( 26.060 28.018 -5.589) 38.670 3.640 ( 16.349 16.870 2.244) 23.599 5.155 ( -0.518 -0.465 -1.690) 1.828 7.105 ( 7.384 11.311 0.414) 13.514 8.774 ( -17.754 -20.885 5.361) 27.931 9.167 ( 17.505 18.826 -8.483) 27.071 9.930 ( -4.487 -3.812 -0.777) 5.939 13.229 ( -10.986 -16.347 5.251) 20.384 13.550 ( 1.642 4.538 -6.881) 8.405 ======================= Grid point 1693 (407/417) ======================= q-point: ( 0.62 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.384 ( 1.134 1.517 3.237) 3.751 2.496 ( 12.158 19.686 -0.197) 23.139 2.898 ( 2.892 6.128 1.461) 6.932 3.739 ( 21.021 18.591 -5.552) 28.606 4.103 ( 17.721 14.283 1.625) 22.819 5.224 ( 6.412 5.524 1.118) 8.537 7.370 ( 7.377 14.627 0.518) 16.390 8.336 ( -12.871 -12.475 2.747) 18.134 9.447 ( 6.374 0.302 -2.715) 6.935 9.821 ( -4.365 -1.681 -0.826) 4.750 12.714 ( -24.350 -21.487 -5.771) 32.983 13.691 ( 8.009 4.241 4.950) 10.326 ======================= Grid point 1708 (408/417) ======================= q-point: ( 0.50 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( -0.000 18.534 3.109) 18.793 2.395 ( 0.000 6.401 14.975) 16.285 2.564 ( -0.000 32.058 -10.127) 33.619 2.748 ( -0.000 3.943 -2.934) 4.915 3.336 ( -0.000 22.248 4.407) 22.681 5.200 ( -0.000 -5.299 -2.983) 6.081 6.943 ( -0.000 9.393 0.695) 9.419 8.640 ( -0.000 38.472 4.004) 38.680 9.263 ( -0.000 -24.012 -11.213) 26.501 10.002 ( 0.000 -6.773 0.017) 6.773 13.333 ( 0.000 -10.705 13.281) 17.058 13.589 ( -0.000 1.981 -13.183) 13.331 ======================= Grid point 1709 (409/417) ======================= q-point: ( 0.56 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( 10.141 20.262 1.732) 22.725 2.397 ( -0.908 -1.515 2.583) 3.129 2.798 ( 2.142 6.050 -2.044) 6.736 3.062 ( 12.505 36.163 -0.807) 38.273 3.641 ( 7.008 22.521 2.133) 23.682 5.154 ( -0.412 -0.168 -1.559) 1.621 7.106 ( 6.199 12.140 0.272) 13.634 8.772 ( -6.686 -23.763 5.767) 25.350 9.172 ( 3.917 23.059 -9.410) 25.211 9.927 ( -0.936 -5.918 -0.110) 5.992 13.197 ( -4.247 -20.681 10.395) 23.533 13.574 ( -0.756 6.586 -10.254) 12.211 ======================= Grid point 1710 (410/417) ======================= q-point: ( 0.62 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1034 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.388 ( 1.006 1.743 -0.000) 2.012 2.504 ( 12.360 21.409 -0.000) 24.721 2.910 ( 3.816 6.609 -0.000) 7.631 3.631 ( 15.057 26.080 -0.000) 30.114 4.015 ( 11.098 19.223 -0.000) 22.197 5.198 ( 3.336 5.779 -0.000) 6.673 7.391 ( 9.502 16.459 -0.000) 19.005 8.395 ( -9.937 -17.211 -0.000) 19.873 9.375 ( 2.698 4.673 -0.000) 5.396 9.854 ( -2.149 -3.721 -0.000) 4.297 12.810 ( -14.992 -25.968 -0.000) 29.985 13.647 ( 3.423 5.930 -0.000) 6.847 ======================= Grid point 1726 (411/417) ======================= q-point: ( 0.56 0.56 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.184 ( -0.000 20.570 1.009) 20.595 2.388 ( -0.000 -0.772 -2.533) 2.648 2.819 ( -0.000 4.790 -2.220) 5.279 3.342 ( -0.000 36.352 3.358) 36.507 3.832 ( -0.000 24.635 0.744) 24.646 5.163 ( -0.000 2.942 -1.277) 3.207 7.165 ( -0.000 12.129 -0.049) 12.129 8.596 ( 0.000 -23.745 -0.115) 23.745 9.348 ( -0.000 18.334 -2.687) 18.530 9.866 ( 0.000 -6.464 0.577) 6.489 13.034 ( 0.000 -26.808 10.452) 28.774 13.627 ( -0.000 9.079 -9.384) 13.057 ======================= Grid point 1958 (412/417) ======================= q-point: ( 0.44 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( 0.000 -0.000 6.164) 6.164 1.317 ( 0.000 -0.000 6.164) 6.164 2.665 ( -0.000 0.000 -2.200) 2.200 2.665 ( -0.000 0.000 -2.200) 2.200 2.697 ( 0.000 -0.000 14.296) 14.296 5.727 ( -0.000 0.000 -8.260) 8.260 6.749 ( 0.000 -0.000 0.722) 0.722 6.749 ( 0.000 -0.000 0.722) 0.722 10.159 ( -0.000 0.000 -0.462) 0.462 10.159 ( -0.000 0.000 -0.462) 0.462 13.423 ( 0.000 -0.000 2.930) 2.930 13.569 ( -0.000 0.000 -2.312) 2.312 ======================= Grid point 1959 (413/417) ======================= q-point: ( 0.50 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( 10.316 5.956 3.891) 12.531 1.722 ( 29.096 16.799 4.385) 33.882 2.545 ( -4.910 -2.835 2.111) 6.050 2.675 ( 1.566 0.904 -0.835) 1.992 2.958 ( 14.072 8.124 3.655) 16.655 5.405 ( -13.817 -7.977 -3.408) 16.315 6.802 ( 4.278 2.470 0.221) 4.945 7.558 ( 52.030 30.039 -2.737) 60.141 9.839 ( -24.753 -14.291 0.086) 28.583 10.116 ( -3.501 -2.021 -0.432) 4.066 13.426 ( -0.206 -0.119 3.952) 3.959 13.586 ( 0.348 0.201 -4.555) 4.572 ======================= Grid point 1960 (414/417) ======================= q-point: ( 0.56 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( 16.207 9.357 1.337) 18.762 2.397 ( 4.445 2.566 13.999) 14.911 2.574 ( 28.507 16.458 -11.398) 34.835 2.730 ( 3.105 1.793 0.623) 3.639 3.356 ( 19.377 11.187 0.449) 22.379 5.190 ( -4.764 -2.750 -0.998) 5.591 6.946 ( 8.057 4.652 -0.057) 9.304 8.680 ( 40.658 23.474 -3.645) 47.089 9.188 ( -28.621 -16.524 3.436) 33.227 10.004 ( -5.763 -3.327 -0.459) 6.670 13.455 ( -8.389 -4.843 5.631) 11.204 13.476 ( 1.001 0.578 -7.230) 7.322 ======================= Grid point 1976 (415/417) ======================= q-point: ( 0.50 0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( -0.000 11.796 1.772) 11.929 1.734 ( -0.000 34.103 2.175) 34.173 2.548 ( 0.000 -6.074 1.305) 6.213 2.679 ( -0.000 2.163 -1.507) 2.636 2.964 ( -0.000 15.583 2.829) 15.837 5.397 ( 0.000 -15.721 -1.833) 15.827 6.801 ( -0.000 4.851 0.500) 4.877 7.552 ( -0.000 59.549 -1.423) 59.566 9.845 ( 0.000 -27.740 -1.133) 27.764 10.114 ( 0.000 -4.116 -0.029) 4.116 13.434 ( 0.000 -0.217 2.821) 2.830 13.574 ( -0.000 -0.139 -2.620) 2.623 ======================= Grid point 1977 (416/417) ======================= q-point: ( 0.56 0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 1032 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( 9.337 16.171 -0.000) 18.673 2.296 ( 20.298 35.158 -0.000) 40.597 2.466 ( -2.534 -4.390 0.000) 5.069 2.723 ( 2.172 3.763 -0.000) 4.345 3.235 ( 10.231 17.720 -0.000) 20.461 5.223 ( -3.930 -6.807 -0.000) 7.860 6.905 ( 4.486 7.770 -0.000) 8.972 8.400 ( 26.414 45.751 -0.000) 52.828 9.373 ( -16.859 -29.200 -0.000) 33.717 10.041 ( -2.910 -5.040 -0.000) 5.819 13.458 ( 1.218 2.109 -0.000) 2.435 13.507 ( -4.315 -7.473 0.000) 8.629 ======================= Grid point 2249 (417/417) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 2.32e-04 3.36e-05 3.36e-05 Number of triplets: 213 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( 0.000 -0.000 0.000) 0.000 1.348 ( 0.000 -0.000 0.000) 0.000 2.654 ( 0.000 -0.000 0.000) 0.000 2.654 ( 0.000 -0.000 0.000) 0.000 2.770 ( 0.000 -0.000 0.000) 0.000 5.684 ( 0.000 -0.000 0.000) 0.000 6.753 ( 0.000 -0.000 0.000) 0.000 6.753 ( 0.000 -0.000 0.000) 0.000 10.157 ( 0.000 -0.000 0.000) 0.000 10.157 ( 0.000 -0.000 0.000) 0.000 13.439 ( 0.000 -0.000 0.000) 0.000 13.556 ( -0.000 0.000 -0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/49152 10.0 722.517 722.517 1750.021 -0.000 0.000 -0.000 3/49152 20.0 401.481 401.481 423.783 -0.000 0.000 -0.000 3/49152 30.0 177.643 177.643 124.976 -0.000 -0.000 -0.000 3/49152 40.0 104.142 104.142 58.578 -0.000 -0.000 -0.000 3/49152 50.0 73.295 73.295 35.288 -0.000 -0.000 -0.000 3/49152 60.0 56.069 56.069 24.513 -0.000 -0.000 -0.000 3/49152 70.0 44.793 44.793 18.531 -0.000 -0.000 -0.000 3/49152 80.0 36.869 36.869 14.796 -0.000 -0.000 -0.000 3/49152 90.0 31.085 31.085 12.274 -0.000 -0.000 -0.000 3/49152 100.0 26.743 26.743 10.475 -0.000 -0.000 -0.000 3/49152 110.0 23.404 23.404 9.136 -0.000 -0.000 -0.000 3/49152 120.0 20.779 20.779 8.105 -0.000 -0.000 -0.000 3/49152 130.0 18.673 18.673 7.289 -0.000 -0.000 -0.000 3/49152 140.0 16.953 16.953 6.628 -0.000 -0.000 -0.000 3/49152 150.0 15.525 15.525 6.083 -0.000 -0.000 -0.000 3/49152 160.0 14.323 14.323 5.624 -0.000 -0.000 -0.000 3/49152 170.0 13.297 13.297 5.234 -0.000 -0.000 -0.000 3/49152 180.0 12.413 12.413 4.897 -0.000 -0.000 -0.000 3/49152 190.0 11.642 11.642 4.603 -0.000 -0.000 -0.000 3/49152 200.0 10.965 10.965 4.345 -0.000 -0.000 -0.000 3/49152 210.0 10.365 10.365 4.115 -0.000 -0.000 -0.000 3/49152 220.0 9.829 9.829 3.910 -0.000 -0.000 -0.000 3/49152 230.0 9.348 9.348 3.725 -0.000 -0.000 -0.000 3/49152 240.0 8.913 8.913 3.557 -0.000 -0.000 -0.000 3/49152 250.0 8.519 8.519 3.405 -0.000 -0.000 -0.000 3/49152 260.0 8.159 8.159 3.266 -0.000 -0.000 -0.000 3/49152 270.0 7.829 7.829 3.138 -0.000 -0.000 -0.000 3/49152 280.0 7.526 7.526 3.020 -0.000 -0.000 -0.000 3/49152 290.0 7.246 7.246 2.910 -0.000 -0.000 -0.000 3/49152 300.0 6.987 6.987 2.809 -0.000 -0.000 -0.000 3/49152 310.0 6.747 6.747 2.715 -0.000 -0.000 -0.000 3/49152 320.0 6.522 6.522 2.627 -0.000 -0.000 -0.000 3/49152 330.0 6.313 6.313 2.545 -0.000 -0.000 -0.000 3/49152 340.0 6.117 6.117 2.468 -0.000 -0.000 -0.000 3/49152 350.0 5.933 5.933 2.395 -0.000 -0.000 -0.000 3/49152 360.0 5.760 5.760 2.327 -0.000 -0.000 -0.000 3/49152 370.0 5.597 5.597 2.262 -0.000 -0.000 -0.000 3/49152 380.0 5.444 5.444 2.201 -0.000 -0.000 -0.000 3/49152 390.0 5.298 5.298 2.144 -0.000 -0.000 -0.000 3/49152 400.0 5.161 5.161 2.089 -0.000 -0.000 -0.000 3/49152 410.0 5.030 5.030 2.037 -0.000 -0.000 -0.000 3/49152 420.0 4.906 4.906 1.988 -0.000 -0.000 -0.000 3/49152 430.0 4.789 4.789 1.941 -0.000 -0.000 -0.000 3/49152 440.0 4.676 4.676 1.896 -0.000 -0.000 -0.000 3/49152 450.0 4.569 4.569 1.853 -0.000 -0.000 -0.000 3/49152 460.0 4.467 4.467 1.813 -0.000 -0.000 -0.000 3/49152 470.0 4.370 4.370 1.774 -0.000 -0.000 -0.000 3/49152 480.0 4.276 4.276 1.736 -0.000 -0.000 -0.000 3/49152 490.0 4.187 4.187 1.700 -0.000 -0.000 -0.000 3/49152 500.0 4.101 4.101 1.666 -0.000 -0.000 -0.000 3/49152 510.0 4.019 4.019 1.633 -0.000 -0.000 -0.000 3/49152 520.0 3.940 3.940 1.601 -0.000 -0.000 -0.000 3/49152 530.0 3.864 3.864 1.571 -0.000 -0.000 -0.000 3/49152 540.0 3.791 3.791 1.542 -0.000 -0.000 -0.000 3/49152 550.0 3.721 3.721 1.513 -0.000 -0.000 -0.000 3/49152 560.0 3.654 3.654 1.486 -0.000 -0.000 -0.000 3/49152 570.0 3.589 3.589 1.460 -0.000 -0.000 -0.000 3/49152 580.0 3.526 3.526 1.434 -0.000 -0.000 -0.000 3/49152 590.0 3.465 3.465 1.410 -0.000 -0.000 -0.000 3/49152 600.0 3.406 3.406 1.386 -0.000 -0.000 -0.000 3/49152 610.0 3.350 3.350 1.364 -0.000 -0.000 -0.000 3/49152 620.0 3.295 3.295 1.341 -0.000 -0.000 -0.000 3/49152 630.0 3.242 3.242 1.320 -0.000 -0.000 -0.000 3/49152 640.0 3.191 3.191 1.299 -0.000 -0.000 -0.000 3/49152 650.0 3.141 3.141 1.279 -0.000 -0.000 -0.000 3/49152 660.0 3.093 3.093 1.260 -0.000 -0.000 -0.000 3/49152 670.0 3.046 3.046 1.241 -0.000 -0.000 -0.000 3/49152 680.0 3.001 3.001 1.223 -0.000 -0.000 -0.000 3/49152 690.0 2.957 2.957 1.205 -0.000 -0.000 -0.000 3/49152 700.0 2.914 2.914 1.188 -0.000 -0.000 -0.000 3/49152 710.0 2.873 2.873 1.171 -0.000 -0.000 -0.000 3/49152 720.0 2.833 2.833 1.154 -0.000 -0.000 -0.000 3/49152 730.0 2.794 2.794 1.139 -0.000 -0.000 -0.000 3/49152 740.0 2.756 2.756 1.123 -0.000 -0.000 -0.000 3/49152 750.0 2.719 2.719 1.108 -0.000 -0.000 -0.000 3/49152 760.0 2.682 2.682 1.094 -0.000 -0.000 -0.000 3/49152 770.0 2.647 2.647 1.079 -0.000 -0.000 -0.000 3/49152 780.0 2.613 2.613 1.065 -0.000 -0.000 -0.000 3/49152 790.0 2.580 2.580 1.052 -0.000 -0.000 -0.000 3/49152 800.0 2.547 2.547 1.039 -0.000 -0.000 -0.000 3/49152 810.0 2.516 2.516 1.026 -0.000 -0.000 -0.000 3/49152 820.0 2.485 2.485 1.013 -0.000 -0.000 -0.000 3/49152 830.0 2.455 2.455 1.001 -0.000 -0.000 -0.000 3/49152 840.0 2.425 2.425 0.989 -0.000 -0.000 -0.000 3/49152 850.0 2.397 2.397 0.978 -0.000 -0.000 -0.000 3/49152 860.0 2.369 2.369 0.966 -0.000 -0.000 -0.000 3/49152 870.0 2.341 2.341 0.955 -0.000 -0.000 -0.000 3/49152 880.0 2.315 2.315 0.944 -0.000 -0.000 -0.000 3/49152 890.0 2.288 2.288 0.934 -0.000 -0.000 -0.000 3/49152 900.0 2.263 2.263 0.923 -0.000 -0.000 -0.000 3/49152 910.0 2.238 2.238 0.913 -0.000 -0.000 -0.000 3/49152 920.0 2.214 2.214 0.903 -0.000 -0.000 -0.000 3/49152 930.0 2.190 2.190 0.893 -0.000 -0.000 -0.000 3/49152 940.0 2.166 2.166 0.884 -0.000 -0.000 -0.000 3/49152 950.0 2.143 2.143 0.875 -0.000 -0.000 -0.000 3/49152 960.0 2.121 2.121 0.865 -0.000 -0.000 -0.000 3/49152 970.0 2.099 2.099 0.856 -0.000 -0.000 -0.000 3/49152 980.0 2.077 2.077 0.848 -0.000 -0.000 -0.000 3/49152 990.0 2.056 2.056 0.839 -0.000 -0.000 -0.000 3/49152 1000.0 2.036 2.036 0.831 -0.000 -0.000 -0.000 3/49152 Thermal conductivity related properties were written into "kappa-m161616.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:21:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|