----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 18:38:04]------------------------- 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 2.057329552821987 1.187799771133544 7.599325019999991 b -2.057329552821983 1.187799771133544 7.599325019999991 c 0.000000000000002 -2.375599542267092 7.599325019999991 Atomic positions (fractional): *1 Tb 0.00000000000000 0.00000000000000 0.00000000000000 158.925 *2 Tl 0.50000000000000 0.50000000000000 0.50000000000000 204.383 *3 Se 0.73646415750731 0.73646415750731 0.73646415750731 78.960 4 Se 0.26353584249269 0.26353584249269 0.26353584249269 78.960 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.114659105643970 0.000000000000000 0.000000000000000 b -2.057329552821985 3.563399313400636 0.000000000000000 c 0.000000000000000 0.000000000000000 22.797975059999999 Atomic positions (fractional): *1 Tb 0.00000000000000 0.00000000000000 0.00000000000000 158.925 > 1 2 Tb 0.66666666666667 0.33333333333333 0.33333333333333 158.925 > 1 3 Tb 0.33333333333333 0.66666666666667 0.66666666666667 158.925 > 1 *4 Tl 0.33333333333333 0.66666666666667 0.16666666666667 204.383 > 2 5 Tl 0.00000000000000 0.00000000000000 0.50000000000000 204.383 > 2 6 Tl 0.66666666666667 0.33333333333333 0.83333333333333 204.383 > 2 *7 Se 0.66666666666667 0.33333333333333 0.06979749084064 78.960 > 3 8 Se 0.00000000000000 0.00000000000000 0.26353584249269 78.960 > 4 9 Se 0.33333333333333 0.66666666666667 0.40313082417398 78.960 > 3 10 Se 0.66666666666667 0.33333333333333 0.59686917582602 78.960 > 4 11 Se 0.00000000000000 0.00000000000000 0.73646415750731 78.960 > 3 12 Se 0.33333333333333 0.66666666666667 0.93020250915935 78.960 > 4 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.343977316931909 0.000000000000000 0.000000000000000 b -6.171988658465954 10.690197940201909 0.000000000000000 c 0.000000000000000 0.000000000000000 22.797975059999999 Atomic positions (fractional): *1 Tb 0.00000000000000 0.00000000000000 0.00000000000000 158.925 > 1 2 Tb 0.33333333333333 0.00000000000000 0.00000000000000 158.925 > 1 3 Tb 0.66666666666667 0.00000000000000 0.00000000000000 158.925 > 1 4 Tb 0.00000000000000 0.33333333333333 0.00000000000000 158.925 > 1 5 Tb 0.33333333333333 0.33333333333333 0.00000000000000 158.925 > 1 6 Tb 0.66666666666667 0.33333333333333 0.00000000000000 158.925 > 1 7 Tb 0.00000000000000 0.66666666666667 0.00000000000000 158.925 > 1 8 Tb 0.33333333333333 0.66666666666667 0.00000000000000 158.925 > 1 9 Tb 0.66666666666667 0.66666666666667 0.00000000000000 158.925 > 1 10 Tb 0.22222222222222 0.11111111111111 0.33333333333333 158.925 > 1 11 Tb 0.55555555555556 0.11111111111111 0.33333333333333 158.925 > 1 12 Tb 0.88888888888889 0.11111111111111 0.33333333333333 158.925 > 1 13 Tb 0.22222222222222 0.44444444444444 0.33333333333333 158.925 > 1 14 Tb 0.55555555555556 0.44444444444444 0.33333333333333 158.925 > 1 15 Tb 0.88888888888889 0.44444444444444 0.33333333333333 158.925 > 1 16 Tb 0.22222222222222 0.77777777777778 0.33333333333333 158.925 > 1 17 Tb 0.55555555555556 0.77777777777778 0.33333333333333 158.925 > 1 18 Tb 0.88888888888889 0.77777777777778 0.33333333333333 158.925 > 1 19 Tb 0.11111111111111 0.22222222222222 0.66666666666667 158.925 > 1 20 Tb 0.44444444444444 0.22222222222222 0.66666666666667 158.925 > 1 21 Tb 0.77777777777778 0.22222222222222 0.66666666666667 158.925 > 1 22 Tb 0.11111111111111 0.55555555555556 0.66666666666667 158.925 > 1 23 Tb 0.44444444444444 0.55555555555556 0.66666666666667 158.925 > 1 24 Tb 0.77777777777778 0.55555555555556 0.66666666666667 158.925 > 1 25 Tb 0.11111111111111 0.88888888888889 0.66666666666667 158.925 > 1 26 Tb 0.44444444444444 0.88888888888889 0.66666666666667 158.925 > 1 27 Tb 0.77777777777778 0.88888888888889 0.66666666666667 158.925 > 1 *28 Tl 0.11111111111111 0.22222222222222 0.16666666666667 204.383 > 2 29 Tl 0.44444444444444 0.22222222222222 0.16666666666667 204.383 > 2 30 Tl 0.77777777777778 0.22222222222222 0.16666666666667 204.383 > 2 31 Tl 0.11111111111111 0.55555555555556 0.16666666666667 204.383 > 2 32 Tl 0.44444444444444 0.55555555555556 0.16666666666667 204.383 > 2 33 Tl 0.77777777777778 0.55555555555556 0.16666666666667 204.383 > 2 34 Tl 0.11111111111111 0.88888888888889 0.16666666666667 204.383 > 2 35 Tl 0.44444444444444 0.88888888888889 0.16666666666667 204.383 > 2 36 Tl 0.77777777777778 0.88888888888889 0.16666666666667 204.383 > 2 37 Tl 0.00000000000000 0.00000000000000 0.50000000000000 204.383 > 2 38 Tl 0.33333333333333 0.00000000000000 0.50000000000000 204.383 > 2 39 Tl 0.66666666666667 0.00000000000000 0.50000000000000 204.383 > 2 40 Tl 0.00000000000000 0.33333333333333 0.50000000000000 204.383 > 2 41 Tl 0.33333333333333 0.33333333333333 0.50000000000000 204.383 > 2 42 Tl 0.66666666666667 0.33333333333333 0.50000000000000 204.383 > 2 43 Tl 0.00000000000000 0.66666666666667 0.50000000000000 204.383 > 2 44 Tl 0.33333333333333 0.66666666666667 0.50000000000000 204.383 > 2 45 Tl 0.66666666666667 0.66666666666667 0.50000000000000 204.383 > 2 46 Tl 0.22222222222222 0.11111111111111 0.83333333333333 204.383 > 2 47 Tl 0.55555555555556 0.11111111111111 0.83333333333333 204.383 > 2 48 Tl 0.88888888888889 0.11111111111111 0.83333333333333 204.383 > 2 49 Tl 0.22222222222222 0.44444444444444 0.83333333333333 204.383 > 2 50 Tl 0.55555555555556 0.44444444444444 0.83333333333333 204.383 > 2 51 Tl 0.88888888888889 0.44444444444444 0.83333333333333 204.383 > 2 52 Tl 0.22222222222222 0.77777777777778 0.83333333333333 204.383 > 2 53 Tl 0.55555555555556 0.77777777777778 0.83333333333333 204.383 > 2 54 Tl 0.88888888888889 0.77777777777778 0.83333333333333 204.383 > 2 *55 Se 0.22222222222222 0.11111111111111 0.06979749084064 78.960 > 3 56 Se 0.55555555555556 0.11111111111111 0.06979749084064 78.960 > 3 57 Se 0.88888888888889 0.11111111111111 0.06979749084064 78.960 > 3 58 Se 0.22222222222222 0.44444444444444 0.06979749084064 78.960 > 3 59 Se 0.55555555555556 0.44444444444444 0.06979749084064 78.960 > 3 60 Se 0.88888888888889 0.44444444444444 0.06979749084064 78.960 > 3 61 Se 0.22222222222222 0.77777777777778 0.06979749084064 78.960 > 3 62 Se 0.55555555555556 0.77777777777778 0.06979749084064 78.960 > 3 63 Se 0.88888888888889 0.77777777777778 0.06979749084064 78.960 > 3 64 Se 0.00000000000000 0.00000000000000 0.26353584249269 78.960 > 4 65 Se 0.33333333333333 0.00000000000000 0.26353584249269 78.960 > 4 66 Se 0.66666666666667 0.00000000000000 0.26353584249269 78.960 > 4 67 Se 0.00000000000000 0.33333333333333 0.26353584249269 78.960 > 4 68 Se 0.33333333333333 0.33333333333333 0.26353584249269 78.960 > 4 69 Se 0.66666666666667 0.33333333333333 0.26353584249269 78.960 > 4 70 Se 0.00000000000000 0.66666666666667 0.26353584249269 78.960 > 4 71 Se 0.33333333333333 0.66666666666667 0.26353584249269 78.960 > 4 72 Se 0.66666666666667 0.66666666666667 0.26353584249269 78.960 > 4 73 Se 0.11111111111111 0.22222222222222 0.40313082417398 78.960 > 3 74 Se 0.44444444444444 0.22222222222222 0.40313082417398 78.960 > 3 75 Se 0.77777777777778 0.22222222222222 0.40313082417398 78.960 > 3 76 Se 0.11111111111111 0.55555555555556 0.40313082417398 78.960 > 3 77 Se 0.44444444444444 0.55555555555556 0.40313082417398 78.960 > 3 78 Se 0.77777777777778 0.55555555555556 0.40313082417398 78.960 > 3 79 Se 0.11111111111111 0.88888888888889 0.40313082417398 78.960 > 3 80 Se 0.44444444444444 0.88888888888889 0.40313082417398 78.960 > 3 81 Se 0.77777777777778 0.88888888888889 0.40313082417398 78.960 > 3 82 Se 0.22222222222222 0.11111111111111 0.59686917582602 78.960 > 4 83 Se 0.55555555555556 0.11111111111111 0.59686917582602 78.960 > 4 84 Se 0.88888888888889 0.11111111111111 0.59686917582602 78.960 > 4 85 Se 0.22222222222222 0.44444444444444 0.59686917582602 78.960 > 4 86 Se 0.55555555555556 0.44444444444444 0.59686917582602 78.960 > 4 87 Se 0.88888888888889 0.44444444444444 0.59686917582602 78.960 > 4 88 Se 0.22222222222222 0.77777777777778 0.59686917582602 78.960 > 4 89 Se 0.55555555555556 0.77777777777778 0.59686917582602 78.960 > 4 90 Se 0.88888888888889 0.77777777777778 0.59686917582602 78.960 > 4 91 Se 0.00000000000000 0.00000000000000 0.73646415750731 78.960 > 3 92 Se 0.33333333333333 0.00000000000000 0.73646415750731 78.960 > 3 93 Se 0.66666666666667 0.00000000000000 0.73646415750731 78.960 > 3 94 Se 0.00000000000000 0.33333333333333 0.73646415750731 78.960 > 3 95 Se 0.33333333333333 0.33333333333333 0.73646415750731 78.960 > 3 96 Se 0.66666666666667 0.33333333333333 0.73646415750731 78.960 > 3 97 Se 0.00000000000000 0.66666666666667 0.73646415750731 78.960 > 3 98 Se 0.33333333333333 0.66666666666667 0.73646415750731 78.960 > 3 99 Se 0.66666666666667 0.66666666666667 0.73646415750731 78.960 > 3 100 Se 0.11111111111111 0.22222222222222 0.93020250915935 78.960 > 4 101 Se 0.44444444444444 0.22222222222222 0.93020250915935 78.960 > 4 102 Se 0.77777777777778 0.22222222222222 0.93020250915935 78.960 > 4 103 Se 0.11111111111111 0.55555555555556 0.93020250915935 78.960 > 4 104 Se 0.44444444444444 0.55555555555556 0.93020250915935 78.960 > 4 105 Se 0.77777777777778 0.55555555555556 0.93020250915935 78.960 > 4 106 Se 0.11111111111111 0.88888888888889 0.93020250915935 78.960 > 4 107 Se 0.44444444444444 0.88888888888889 0.93020250915935 78.960 > 4 108 Se 0.77777777777778 0.88888888888889 0.93020250915935 78.960 > 4 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.9235393 0.0000000 0.0000000 0.0000000 8.9235393 0.0000000 0.0000000 0.0000000 9.3001349 -------------------------- Born effective charges -------------------------- 1 Tb 4.4537979 0.0000000 0.0000000 0.0000000 4.4537979 0.0000000 0.0000000 0.0000000 2.6692598 2 Tl 1.7396577 0.0000000 0.0000000 0.0000000 1.7396577 0.0000000 0.0000000 0.0000000 3.2605453 3 Se -3.0967278 -0.0000000 0.0000000 0.0000000 -3.0967278 0.0000000 0.0000000 0.0000000 -2.9649025 4 Se -3.0967278 -0.0000000 0.0000000 0.0000000 -3.0967278 0.0000000 0.0000000 0.0000000 -2.9649025 ---------------------------------------------------------------------------- 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): 7 --- Eigsh_solver_block: 1 / 7 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 7 --- Block_size: 60 Use standard eigh solver. --- Eigsh_solver_block: 3 / 7 --- Block_size: 54 Use standard eigh solver. --- Eigsh_solver_block: 4 / 7 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 5 / 7 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 6 / 7 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 7 / 7 --- 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 |-- (54, 51), data: True |-- (60, 60), data: True |-- (97, 94), data: True ----- Solver_atoms: 1 -- 108 / 108 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 80 / 80 - Time: 0.127 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.135 --------------------------------- 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): 7 --- Eigsh_solver_block: 1 / 7 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 7 --- Block_size: 60 Use standard eigh solver. --- Eigsh_solver_block: 3 / 7 --- Block_size: 54 Use standard eigh solver. --- Eigsh_solver_block: 4 / 7 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 5 / 7 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 6 / 7 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 7 / 7 --- 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 |-- (54, 51), data: True |-- (60, 60), 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 18:38:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 18:38:08]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.057329552821987 1.187799771133544 7.599325019999991 b -2.057329552821983 1.187799771133544 7.599325019999991 c 0.000000000000002 -2.375599542267092 7.599325019999991 Atomic positions (fractional): 1 Tb 0.00000000000000 0.00000000000000 0.00000000000000 158.925 2 Tl 0.50000000000000 0.50000000000000 0.50000000000000 204.383 3 Se 0.73646415750731 0.73646415750731 0.73646415750731 78.960 4 Se 0.26353584249269 0.26353584249269 0.26353584249269 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.343977316931909 0.000000000000000 0.000000000000000 b -6.171988658465954 10.690197940201909 0.000000000000000 c 0.000000000000000 0.000000000000000 22.797975059999999 Atomic positions (fractional): 1 Tb 0.00000000000000 0.00000000000000 0.00000000000000 158.925 > 1 2 Tb 0.33333333333333 0.00000000000000 0.00000000000000 158.925 > 1 3 Tb 0.66666666666667 0.00000000000000 0.00000000000000 158.925 > 1 4 Tb 0.00000000000000 0.33333333333333 0.00000000000000 158.925 > 1 5 Tb 0.33333333333333 0.33333333333333 0.00000000000000 158.925 > 1 6 Tb 0.66666666666667 0.33333333333333 0.00000000000000 158.925 > 1 7 Tb 0.00000000000000 0.66666666666667 0.00000000000000 158.925 > 1 8 Tb 0.33333333333333 0.66666666666667 0.00000000000000 158.925 > 1 9 Tb 0.66666666666667 0.66666666666667 0.00000000000000 158.925 > 1 10 Tb 0.22222222222222 0.11111111111111 0.33333333333333 158.925 > 1 11 Tb 0.55555555555556 0.11111111111111 0.33333333333333 158.925 > 1 12 Tb 0.88888888888889 0.11111111111111 0.33333333333333 158.925 > 1 13 Tb 0.22222222222222 0.44444444444444 0.33333333333333 158.925 > 1 14 Tb 0.55555555555556 0.44444444444444 0.33333333333333 158.925 > 1 15 Tb 0.88888888888889 0.44444444444444 0.33333333333333 158.925 > 1 16 Tb 0.22222222222222 0.77777777777778 0.33333333333333 158.925 > 1 17 Tb 0.55555555555556 0.77777777777778 0.33333333333333 158.925 > 1 18 Tb 0.88888888888889 0.77777777777778 0.33333333333333 158.925 > 1 19 Tb 0.11111111111111 0.22222222222222 0.66666666666667 158.925 > 1 20 Tb 0.44444444444444 0.22222222222222 0.66666666666667 158.925 > 1 21 Tb 0.77777777777778 0.22222222222222 0.66666666666667 158.925 > 1 22 Tb 0.11111111111111 0.55555555555556 0.66666666666667 158.925 > 1 23 Tb 0.44444444444444 0.55555555555556 0.66666666666667 158.925 > 1 24 Tb 0.77777777777778 0.55555555555556 0.66666666666667 158.925 > 1 25 Tb 0.11111111111111 0.88888888888889 0.66666666666667 158.925 > 1 26 Tb 0.44444444444444 0.88888888888889 0.66666666666667 158.925 > 1 27 Tb 0.77777777777778 0.88888888888889 0.66666666666667 158.925 > 1 28 Tl 0.11111111111111 0.22222222222222 0.16666666666667 204.383 > 28 29 Tl 0.44444444444444 0.22222222222222 0.16666666666667 204.383 > 28 30 Tl 0.77777777777778 0.22222222222222 0.16666666666667 204.383 > 28 31 Tl 0.11111111111111 0.55555555555556 0.16666666666667 204.383 > 28 32 Tl 0.44444444444444 0.55555555555556 0.16666666666667 204.383 > 28 33 Tl 0.77777777777778 0.55555555555556 0.16666666666667 204.383 > 28 34 Tl 0.11111111111111 0.88888888888889 0.16666666666667 204.383 > 28 35 Tl 0.44444444444444 0.88888888888889 0.16666666666667 204.383 > 28 36 Tl 0.77777777777778 0.88888888888889 0.16666666666667 204.383 > 28 37 Tl 0.00000000000000 0.00000000000000 0.50000000000000 204.383 > 28 38 Tl 0.33333333333333 0.00000000000000 0.50000000000000 204.383 > 28 39 Tl 0.66666666666667 0.00000000000000 0.50000000000000 204.383 > 28 40 Tl 0.00000000000000 0.33333333333333 0.50000000000000 204.383 > 28 41 Tl 0.33333333333333 0.33333333333333 0.50000000000000 204.383 > 28 42 Tl 0.66666666666667 0.33333333333333 0.50000000000000 204.383 > 28 43 Tl 0.00000000000000 0.66666666666667 0.50000000000000 204.383 > 28 44 Tl 0.33333333333333 0.66666666666667 0.50000000000000 204.383 > 28 45 Tl 0.66666666666667 0.66666666666667 0.50000000000000 204.383 > 28 46 Tl 0.22222222222222 0.11111111111111 0.83333333333333 204.383 > 28 47 Tl 0.55555555555556 0.11111111111111 0.83333333333333 204.383 > 28 48 Tl 0.88888888888889 0.11111111111111 0.83333333333333 204.383 > 28 49 Tl 0.22222222222222 0.44444444444444 0.83333333333333 204.383 > 28 50 Tl 0.55555555555556 0.44444444444444 0.83333333333333 204.383 > 28 51 Tl 0.88888888888889 0.44444444444444 0.83333333333333 204.383 > 28 52 Tl 0.22222222222222 0.77777777777778 0.83333333333333 204.383 > 28 53 Tl 0.55555555555556 0.77777777777778 0.83333333333333 204.383 > 28 54 Tl 0.88888888888889 0.77777777777778 0.83333333333333 204.383 > 28 55 Se 0.22222222222222 0.11111111111111 0.06979749084064 78.960 > 55 56 Se 0.55555555555556 0.11111111111111 0.06979749084064 78.960 > 55 57 Se 0.88888888888889 0.11111111111111 0.06979749084064 78.960 > 55 58 Se 0.22222222222222 0.44444444444444 0.06979749084064 78.960 > 55 59 Se 0.55555555555556 0.44444444444444 0.06979749084064 78.960 > 55 60 Se 0.88888888888889 0.44444444444444 0.06979749084064 78.960 > 55 61 Se 0.22222222222222 0.77777777777778 0.06979749084064 78.960 > 55 62 Se 0.55555555555556 0.77777777777778 0.06979749084064 78.960 > 55 63 Se 0.88888888888889 0.77777777777778 0.06979749084064 78.960 > 55 64 Se 0.00000000000000 0.00000000000000 0.26353584249269 78.960 > 64 65 Se 0.33333333333333 0.00000000000000 0.26353584249269 78.960 > 64 66 Se 0.66666666666667 0.00000000000000 0.26353584249269 78.960 > 64 67 Se 0.00000000000000 0.33333333333333 0.26353584249269 78.960 > 64 68 Se 0.33333333333333 0.33333333333333 0.26353584249269 78.960 > 64 69 Se 0.66666666666667 0.33333333333333 0.26353584249269 78.960 > 64 70 Se 0.00000000000000 0.66666666666667 0.26353584249269 78.960 > 64 71 Se 0.33333333333333 0.66666666666667 0.26353584249269 78.960 > 64 72 Se 0.66666666666667 0.66666666666667 0.26353584249269 78.960 > 64 73 Se 0.11111111111111 0.22222222222222 0.40313082417398 78.960 > 55 74 Se 0.44444444444444 0.22222222222222 0.40313082417398 78.960 > 55 75 Se 0.77777777777778 0.22222222222222 0.40313082417398 78.960 > 55 76 Se 0.11111111111111 0.55555555555556 0.40313082417398 78.960 > 55 77 Se 0.44444444444444 0.55555555555556 0.40313082417398 78.960 > 55 78 Se 0.77777777777778 0.55555555555556 0.40313082417398 78.960 > 55 79 Se 0.11111111111111 0.88888888888889 0.40313082417398 78.960 > 55 80 Se 0.44444444444444 0.88888888888889 0.40313082417398 78.960 > 55 81 Se 0.77777777777778 0.88888888888889 0.40313082417398 78.960 > 55 82 Se 0.22222222222222 0.11111111111111 0.59686917582602 78.960 > 64 83 Se 0.55555555555556 0.11111111111111 0.59686917582602 78.960 > 64 84 Se 0.88888888888889 0.11111111111111 0.59686917582602 78.960 > 64 85 Se 0.22222222222222 0.44444444444444 0.59686917582602 78.960 > 64 86 Se 0.55555555555556 0.44444444444444 0.59686917582602 78.960 > 64 87 Se 0.88888888888889 0.44444444444444 0.59686917582602 78.960 > 64 88 Se 0.22222222222222 0.77777777777778 0.59686917582602 78.960 > 64 89 Se 0.55555555555556 0.77777777777778 0.59686917582602 78.960 > 64 90 Se 0.88888888888889 0.77777777777778 0.59686917582602 78.960 > 64 91 Se 0.00000000000000 0.00000000000000 0.73646415750731 78.960 > 55 92 Se 0.33333333333333 0.00000000000000 0.73646415750731 78.960 > 55 93 Se 0.66666666666667 0.00000000000000 0.73646415750731 78.960 > 55 94 Se 0.00000000000000 0.33333333333333 0.73646415750731 78.960 > 55 95 Se 0.33333333333333 0.33333333333333 0.73646415750731 78.960 > 55 96 Se 0.66666666666667 0.33333333333333 0.73646415750731 78.960 > 55 97 Se 0.00000000000000 0.66666666666667 0.73646415750731 78.960 > 55 98 Se 0.33333333333333 0.66666666666667 0.73646415750731 78.960 > 55 99 Se 0.66666666666667 0.66666666666667 0.73646415750731 78.960 > 55 100 Se 0.11111111111111 0.22222222222222 0.93020250915935 78.960 > 64 101 Se 0.44444444444444 0.22222222222222 0.93020250915935 78.960 > 64 102 Se 0.77777777777778 0.22222222222222 0.93020250915935 78.960 > 64 103 Se 0.11111111111111 0.55555555555556 0.93020250915935 78.960 > 64 104 Se 0.44444444444444 0.55555555555556 0.93020250915935 78.960 > 64 105 Se 0.77777777777778 0.55555555555556 0.93020250915935 78.960 > 64 106 Se 0.11111111111111 0.88888888888889 0.93020250915935 78.960 > 64 107 Se 0.44444444444444 0.88888888888889 0.93020250915935 78.960 > 64 108 Se 0.77777777777778 0.88888888888889 0.93020250915935 78.960 > 64 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.9235393 0.0000000 0.0000000 0.0000000 8.9235393 0.0000000 0.0000000 0.0000000 9.3001349 -------------------------- Born effective charges -------------------------- 1 Tb 4.4537979 0.0000000 0.0000000 0.0000000 4.4537979 0.0000000 0.0000000 0.0000000 2.6692598 2 Tl 1.7396577 0.0000000 0.0000000 0.0000000 1.7396577 0.0000000 0.0000000 0.0000000 3.2605453 3 Se -3.0967278 -0.0000000 0.0000000 0.0000000 -3.0967278 0.0000000 0.0000000 0.0000000 -2.9649025 4 Se -3.0967278 -0.0000000 0.0000000 0.0000000 -3.0967278 0.0000000 0.0000000 0.0000000 -2.9649025 ---------------------------------------------------------------------------- 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 (xzx) 0.00000000 (xzx) 0.00000000 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) 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 18:38:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 18:38:13]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.057329552821987 1.187799771133544 7.599325019999991 b -2.057329552821983 1.187799771133544 7.599325019999991 c 0.000000000000002 -2.375599542267092 7.599325019999991 Atomic positions (fractional): 1 Tb 0.00000000000000 0.00000000000000 0.00000000000000 158.925 2 Tl 0.50000000000000 0.50000000000000 0.50000000000000 204.383 3 Se 0.73646415750731 0.73646415750731 0.73646415750731 78.960 4 Se 0.26353584249269 0.26353584249269 0.26353584249269 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.343977316931909 0.000000000000000 0.000000000000000 b -6.171988658465954 10.690197940201909 0.000000000000000 c 0.000000000000000 0.000000000000000 22.797975059999999 Atomic positions (fractional): 1 Tb 0.00000000000000 0.00000000000000 0.00000000000000 158.925 > 1 2 Tb 0.33333333333333 0.00000000000000 0.00000000000000 158.925 > 1 3 Tb 0.66666666666667 0.00000000000000 0.00000000000000 158.925 > 1 4 Tb 0.00000000000000 0.33333333333333 0.00000000000000 158.925 > 1 5 Tb 0.33333333333333 0.33333333333333 0.00000000000000 158.925 > 1 6 Tb 0.66666666666667 0.33333333333333 0.00000000000000 158.925 > 1 7 Tb 0.00000000000000 0.66666666666667 0.00000000000000 158.925 > 1 8 Tb 0.33333333333333 0.66666666666667 0.00000000000000 158.925 > 1 9 Tb 0.66666666666667 0.66666666666667 0.00000000000000 158.925 > 1 10 Tb 0.22222222222222 0.11111111111111 0.33333333333333 158.925 > 1 11 Tb 0.55555555555556 0.11111111111111 0.33333333333333 158.925 > 1 12 Tb 0.88888888888889 0.11111111111111 0.33333333333333 158.925 > 1 13 Tb 0.22222222222222 0.44444444444444 0.33333333333333 158.925 > 1 14 Tb 0.55555555555556 0.44444444444444 0.33333333333333 158.925 > 1 15 Tb 0.88888888888889 0.44444444444444 0.33333333333333 158.925 > 1 16 Tb 0.22222222222222 0.77777777777778 0.33333333333333 158.925 > 1 17 Tb 0.55555555555556 0.77777777777778 0.33333333333333 158.925 > 1 18 Tb 0.88888888888889 0.77777777777778 0.33333333333333 158.925 > 1 19 Tb 0.11111111111111 0.22222222222222 0.66666666666667 158.925 > 1 20 Tb 0.44444444444444 0.22222222222222 0.66666666666667 158.925 > 1 21 Tb 0.77777777777778 0.22222222222222 0.66666666666667 158.925 > 1 22 Tb 0.11111111111111 0.55555555555556 0.66666666666667 158.925 > 1 23 Tb 0.44444444444444 0.55555555555556 0.66666666666667 158.925 > 1 24 Tb 0.77777777777778 0.55555555555556 0.66666666666667 158.925 > 1 25 Tb 0.11111111111111 0.88888888888889 0.66666666666667 158.925 > 1 26 Tb 0.44444444444444 0.88888888888889 0.66666666666667 158.925 > 1 27 Tb 0.77777777777778 0.88888888888889 0.66666666666667 158.925 > 1 28 Tl 0.11111111111111 0.22222222222222 0.16666666666667 204.383 > 28 29 Tl 0.44444444444444 0.22222222222222 0.16666666666667 204.383 > 28 30 Tl 0.77777777777778 0.22222222222222 0.16666666666667 204.383 > 28 31 Tl 0.11111111111111 0.55555555555556 0.16666666666667 204.383 > 28 32 Tl 0.44444444444444 0.55555555555556 0.16666666666667 204.383 > 28 33 Tl 0.77777777777778 0.55555555555556 0.16666666666667 204.383 > 28 34 Tl 0.11111111111111 0.88888888888889 0.16666666666667 204.383 > 28 35 Tl 0.44444444444444 0.88888888888889 0.16666666666667 204.383 > 28 36 Tl 0.77777777777778 0.88888888888889 0.16666666666667 204.383 > 28 37 Tl 0.00000000000000 0.00000000000000 0.50000000000000 204.383 > 28 38 Tl 0.33333333333333 0.00000000000000 0.50000000000000 204.383 > 28 39 Tl 0.66666666666667 0.00000000000000 0.50000000000000 204.383 > 28 40 Tl 0.00000000000000 0.33333333333333 0.50000000000000 204.383 > 28 41 Tl 0.33333333333333 0.33333333333333 0.50000000000000 204.383 > 28 42 Tl 0.66666666666667 0.33333333333333 0.50000000000000 204.383 > 28 43 Tl 0.00000000000000 0.66666666666667 0.50000000000000 204.383 > 28 44 Tl 0.33333333333333 0.66666666666667 0.50000000000000 204.383 > 28 45 Tl 0.66666666666667 0.66666666666667 0.50000000000000 204.383 > 28 46 Tl 0.22222222222222 0.11111111111111 0.83333333333333 204.383 > 28 47 Tl 0.55555555555556 0.11111111111111 0.83333333333333 204.383 > 28 48 Tl 0.88888888888889 0.11111111111111 0.83333333333333 204.383 > 28 49 Tl 0.22222222222222 0.44444444444444 0.83333333333333 204.383 > 28 50 Tl 0.55555555555556 0.44444444444444 0.83333333333333 204.383 > 28 51 Tl 0.88888888888889 0.44444444444444 0.83333333333333 204.383 > 28 52 Tl 0.22222222222222 0.77777777777778 0.83333333333333 204.383 > 28 53 Tl 0.55555555555556 0.77777777777778 0.83333333333333 204.383 > 28 54 Tl 0.88888888888889 0.77777777777778 0.83333333333333 204.383 > 28 55 Se 0.22222222222222 0.11111111111111 0.06979749084064 78.960 > 55 56 Se 0.55555555555556 0.11111111111111 0.06979749084064 78.960 > 55 57 Se 0.88888888888889 0.11111111111111 0.06979749084064 78.960 > 55 58 Se 0.22222222222222 0.44444444444444 0.06979749084064 78.960 > 55 59 Se 0.55555555555556 0.44444444444444 0.06979749084064 78.960 > 55 60 Se 0.88888888888889 0.44444444444444 0.06979749084064 78.960 > 55 61 Se 0.22222222222222 0.77777777777778 0.06979749084064 78.960 > 55 62 Se 0.55555555555556 0.77777777777778 0.06979749084064 78.960 > 55 63 Se 0.88888888888889 0.77777777777778 0.06979749084064 78.960 > 55 64 Se 0.00000000000000 0.00000000000000 0.26353584249269 78.960 > 64 65 Se 0.33333333333333 0.00000000000000 0.26353584249269 78.960 > 64 66 Se 0.66666666666667 0.00000000000000 0.26353584249269 78.960 > 64 67 Se 0.00000000000000 0.33333333333333 0.26353584249269 78.960 > 64 68 Se 0.33333333333333 0.33333333333333 0.26353584249269 78.960 > 64 69 Se 0.66666666666667 0.33333333333333 0.26353584249269 78.960 > 64 70 Se 0.00000000000000 0.66666666666667 0.26353584249269 78.960 > 64 71 Se 0.33333333333333 0.66666666666667 0.26353584249269 78.960 > 64 72 Se 0.66666666666667 0.66666666666667 0.26353584249269 78.960 > 64 73 Se 0.11111111111111 0.22222222222222 0.40313082417398 78.960 > 55 74 Se 0.44444444444444 0.22222222222222 0.40313082417398 78.960 > 55 75 Se 0.77777777777778 0.22222222222222 0.40313082417398 78.960 > 55 76 Se 0.11111111111111 0.55555555555556 0.40313082417398 78.960 > 55 77 Se 0.44444444444444 0.55555555555556 0.40313082417398 78.960 > 55 78 Se 0.77777777777778 0.55555555555556 0.40313082417398 78.960 > 55 79 Se 0.11111111111111 0.88888888888889 0.40313082417398 78.960 > 55 80 Se 0.44444444444444 0.88888888888889 0.40313082417398 78.960 > 55 81 Se 0.77777777777778 0.88888888888889 0.40313082417398 78.960 > 55 82 Se 0.22222222222222 0.11111111111111 0.59686917582602 78.960 > 64 83 Se 0.55555555555556 0.11111111111111 0.59686917582602 78.960 > 64 84 Se 0.88888888888889 0.11111111111111 0.59686917582602 78.960 > 64 85 Se 0.22222222222222 0.44444444444444 0.59686917582602 78.960 > 64 86 Se 0.55555555555556 0.44444444444444 0.59686917582602 78.960 > 64 87 Se 0.88888888888889 0.44444444444444 0.59686917582602 78.960 > 64 88 Se 0.22222222222222 0.77777777777778 0.59686917582602 78.960 > 64 89 Se 0.55555555555556 0.77777777777778 0.59686917582602 78.960 > 64 90 Se 0.88888888888889 0.77777777777778 0.59686917582602 78.960 > 64 91 Se 0.00000000000000 0.00000000000000 0.73646415750731 78.960 > 55 92 Se 0.33333333333333 0.00000000000000 0.73646415750731 78.960 > 55 93 Se 0.66666666666667 0.00000000000000 0.73646415750731 78.960 > 55 94 Se 0.00000000000000 0.33333333333333 0.73646415750731 78.960 > 55 95 Se 0.33333333333333 0.33333333333333 0.73646415750731 78.960 > 55 96 Se 0.66666666666667 0.33333333333333 0.73646415750731 78.960 > 55 97 Se 0.00000000000000 0.66666666666667 0.73646415750731 78.960 > 55 98 Se 0.33333333333333 0.66666666666667 0.73646415750731 78.960 > 55 99 Se 0.66666666666667 0.66666666666667 0.73646415750731 78.960 > 55 100 Se 0.11111111111111 0.22222222222222 0.93020250915935 78.960 > 64 101 Se 0.44444444444444 0.22222222222222 0.93020250915935 78.960 > 64 102 Se 0.77777777777778 0.22222222222222 0.93020250915935 78.960 > 64 103 Se 0.11111111111111 0.55555555555556 0.93020250915935 78.960 > 64 104 Se 0.44444444444444 0.55555555555556 0.93020250915935 78.960 > 64 105 Se 0.77777777777778 0.55555555555556 0.93020250915935 78.960 > 64 106 Se 0.11111111111111 0.88888888888889 0.93020250915935 78.960 > 64 107 Se 0.44444444444444 0.88888888888889 0.93020250915935 78.960 > 64 108 Se 0.77777777777778 0.88888888888889 0.93020250915935 78.960 > 64 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 8.9235393 0.0000000 0.0000000 0.0000000 8.9235393 0.0000000 0.0000000 0.0000000 9.3001349 -------------------------- Born effective charges -------------------------- 1 Tb 4.4537979 0.0000000 0.0000000 0.0000000 4.4537979 0.0000000 0.0000000 0.0000000 2.6692598 2 Tl 1.7396577 0.0000000 0.0000000 0.0000000 1.7396577 0.0000000 0.0000000 0.0000000 3.2605453 3 Se -3.0967278 -0.0000000 0.0000000 0.0000000 -3.0967278 0.0000000 0.0000000 0.0000000 -2.9649025 4 Se -3.0967278 -0.0000000 0.0000000 0.0000000 -3.0967278 0.0000000 0.0000000 0.0000000 -2.9649025 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xzx) 0.00000000 (xzx) 0.00000000 (xxz) 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 ... [ 14 14 14 ] 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: 0.86, Number of G-points: 313, Lambda: 0.27 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/288) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 288 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 1.348 ( 0.000 0.000 0.000) 0.000 1.348 ( 0.000 0.000 0.000) 0.000 2.057 ( 0.000 0.000 0.000) 0.000 3.682 ( 0.000 0.000 0.000) 0.000 3.682 ( 0.000 0.000 0.000) 0.000 3.911 ( 0.000 0.000 0.000) 0.000 3.911 ( 0.000 0.000 0.000) 0.000 4.800 ( 0.000 0.000 0.000) 0.000 4.854 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/288) ======================= q-point: ( 0.07 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.276 ( 13.468 7.776 -9.458) 18.202 0.315 ( 15.124 8.732 -14.075) 22.430 0.671 ( 24.763 14.297 17.325) 33.433 1.363 ( 1.291 0.745 0.002) 1.491 1.459 ( 4.673 2.698 -1.608) 5.631 2.079 ( -0.393 -0.227 7.261) 7.275 3.691 ( 0.736 0.425 -0.150) 0.863 3.902 ( -0.799 -0.461 0.521) 1.059 3.923 ( 1.112 0.642 -0.663) 1.445 4.745 ( -1.615 -0.932 -13.067) 13.199 4.817 ( -2.443 -1.410 2.750) 3.939 5.497 ( -2.520 -1.455 1.215) 3.154 ======================= Grid point 2 (3/288) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.563 ( 13.479 7.782 -7.530) 17.290 0.604 ( 13.369 7.718 -13.156) 20.282 1.170 ( 12.359 7.136 9.928) 17.385 1.411 ( 3.053 1.763 -0.033) 3.526 1.670 ( 15.198 8.775 1.511) 17.614 2.092 ( 0.304 0.176 0.717) 0.798 3.714 ( 1.279 0.739 -0.441) 1.542 3.880 ( -1.209 -0.698 0.928) 1.676 3.962 ( 2.403 1.387 0.075) 2.776 4.667 ( -2.313 -1.336 -6.444) 6.976 4.711 ( -8.401 -4.850 8.697) 13.029 5.422 ( -3.093 -1.786 -6.320) 7.260 ======================= Grid point 3 (4/288) ======================= q-point: ( 0.21 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.833 ( 11.019 6.362 -5.282) 13.776 0.845 ( 10.885 6.284 -12.098) 17.445 1.330 ( 2.108 1.217 1.546) 2.884 1.515 ( 6.180 3.568 -0.256) 7.141 2.080 ( 5.602 3.234 -2.653) 6.992 2.136 ( 15.103 8.720 4.146) 17.926 3.744 ( 1.400 0.808 -0.783) 1.796 3.857 ( -0.980 -0.566 1.114) 1.587 4.034 ( 3.467 2.002 1.887) 4.426 4.487 ( -12.817 -7.400 7.160) 16.441 4.605 ( -1.684 -0.972 -2.283) 2.999 5.319 ( -3.760 -2.171 -8.398) 9.453 ======================= Grid point 4 (5/288) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( 6.268 3.619 -3.144) 7.892 1.035 ( 8.755 5.055 -10.465) 14.550 1.333 ( -1.058 -0.611 -2.343) 2.642 1.699 ( 9.586 5.534 -0.748) 11.094 2.095 ( -0.047 -0.027 0.378) 0.382 2.571 ( 17.171 9.914 0.130) 19.828 3.770 ( 0.913 0.527 -0.594) 1.210 3.846 ( -0.125 -0.072 0.704) 0.719 4.112 ( 0.339 0.196 -0.239) 0.459 4.190 ( -11.869 -6.852 5.567) 14.792 4.581 ( 0.018 0.010 0.359) 0.360 5.199 ( -4.310 -2.488 -7.457) 8.965 ======================= Grid point 5 (6/288) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( 2.891 1.669 -1.612) 3.707 1.178 ( 4.314 2.490 -5.776) 7.627 1.316 ( 2.757 1.592 -4.638) 5.626 1.924 ( 9.356 5.402 -0.980) 10.848 2.077 ( -2.360 -1.362 3.305) 4.283 2.905 ( 11.802 6.814 -1.838) 13.751 3.783 ( 0.357 0.206 0.230) 0.472 3.844 ( -12.866 -7.428 -3.103) 15.177 3.853 ( 0.537 0.310 -0.214) 0.656 4.187 ( 0.870 0.502 2.636) 2.821 4.616 ( 2.773 1.601 1.793) 3.670 5.078 ( -4.471 -2.581 -4.833) 7.071 ======================= Grid point 6 (7/288) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( 1.157 0.668 -0.664) 1.492 1.178 ( -1.090 -0.630 -1.786) 2.185 1.472 ( 9.627 5.558 -3.952) 11.798 1.992 ( -5.990 -3.459 3.943) 7.962 2.099 ( 5.535 3.196 -0.688) 6.428 3.104 ( 5.873 3.391 -1.255) 6.897 3.586 ( -7.761 -4.481 -3.946) 9.792 3.790 ( 0.166 0.096 0.467) 0.504 3.864 ( 0.430 0.248 -0.450) 0.670 4.196 ( -0.249 -0.144 0.778) 0.830 4.709 ( 4.329 2.499 1.295) 5.164 4.965 ( -4.304 -2.485 -1.948) 5.338 ======================= Grid point 7 (8/288) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( 0.000 0.000 0.000) 0.000 1.169 ( 0.000 0.000 0.000) 0.000 1.625 ( -0.000 -0.000 0.000) 0.000 1.885 ( 0.000 0.000 -0.000) 0.000 2.163 ( 0.000 0.000 0.000) 0.000 3.171 ( 0.000 0.000 -0.000) 0.000 3.486 ( 0.000 0.000 0.000) 0.000 3.793 ( 0.000 0.000 0.000) 0.000 3.869 ( 0.000 0.000 -0.000) 0.000 4.192 ( 0.000 0.000 0.000) 0.000 4.786 ( -0.000 -0.000 -0.000) 0.000 4.889 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 16 (9/288) ======================= q-point: ( 0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.398 ( -0.000 14.571 15.304) 21.131 0.426 ( -0.000 20.524 -0.448) 20.529 0.587 ( -0.000 25.584 8.360) 26.916 1.359 ( -0.000 1.401 -0.855) 1.642 1.454 ( -0.000 5.906 -2.286) 6.334 2.113 ( -0.000 -3.906 13.096) 13.666 3.694 ( -0.000 0.978 0.521) 1.108 3.895 ( 0.000 -1.224 -1.035) 1.603 3.926 ( -0.000 1.391 0.114) 1.396 4.660 ( 0.000 1.196 -25.782) 25.810 4.818 ( -0.000 -0.940 1.482) 1.755 5.533 ( -0.000 -4.082 6.756) 7.893 ======================= Grid point 17 (10/288) ======================= q-point: ( 0.14 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.421 ( -4.196 13.491 11.057) 17.941 0.692 ( 2.892 21.827 -9.990) 24.178 1.055 ( 14.980 12.545 12.213) 23.042 1.394 ( 1.968 2.798 -0.435) 3.448 1.578 ( 6.959 10.946 -0.634) 12.986 2.103 ( -0.900 -0.750 3.548) 3.737 3.706 ( 0.123 0.967 0.341) 1.033 3.880 ( 0.151 -1.542 -0.612) 1.666 3.951 ( 0.981 2.141 0.125) 2.358 4.614 ( 1.869 -3.543 -12.311) 12.947 4.785 ( -2.713 -4.839 5.390) 7.735 5.457 ( -4.800 -2.292 -1.678) 5.577 ======================= Grid point 18 (11/288) ======================= q-point: ( 0.21 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.592 ( 7.579 7.838 2.157) 11.114 0.910 ( 2.770 17.138 -8.658) 19.400 1.299 ( 4.030 2.010 2.807) 5.307 1.484 ( 3.453 5.739 0.292) 6.704 1.942 ( 15.664 15.811 1.224) 22.290 2.097 ( 0.539 0.616 0.122) 0.827 3.722 ( 0.927 0.360 0.268) 1.030 3.866 ( -0.135 -0.879 0.147) 0.902 4.009 ( 2.609 2.726 1.130) 3.939 4.573 ( 1.025 -4.043 -5.431) 6.848 4.646 ( -8.832 -6.559 7.147) 13.118 5.333 ( -4.705 -2.776 -7.116) 8.971 ======================= Grid point 19 (12/288) ======================= q-point: ( 0.29 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( 9.903 4.066 -2.771) 11.058 1.069 ( 1.904 11.173 -6.142) 12.891 1.332 ( -0.107 -0.620 -1.745) 1.854 1.636 ( 5.986 8.638 -0.352) 10.516 2.080 ( 0.999 -0.195 -1.506) 1.817 2.410 ( 15.558 14.511 1.322) 21.316 3.743 ( 1.200 -0.420 -0.013) 1.272 3.862 ( -0.338 0.799 0.403) 0.956 4.091 ( 2.820 2.072 1.670) 3.877 4.395 ( -13.990 -5.199 4.923) 15.716 4.551 ( 1.518 -3.152 -1.442) 3.784 5.200 ( -3.561 -4.344 -7.978) 9.757 ======================= Grid point 20 (13/288) ======================= q-point: ( 0.36 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( 8.653 2.061 -3.844) 9.690 1.166 ( 1.165 5.955 -3.710) 7.112 1.304 ( -0.655 0.212 -3.469) 3.537 1.847 ( 7.329 8.797 -0.609) 11.466 2.091 ( 0.576 -0.409 1.424) 1.589 2.779 ( 11.960 10.728 -1.101) 16.104 3.747 ( 0.469 -2.213 -1.053) 2.495 3.869 ( -0.952 1.978 0.480) 2.247 4.053 ( -11.806 -1.310 -1.564) 11.981 4.202 ( -2.217 0.927 4.045) 4.705 4.570 ( 3.463 -1.179 0.559) 3.701 5.076 ( -2.500 -5.480 -5.837) 8.388 ======================= Grid point 21 (14/288) ======================= q-point: ( 0.43 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( 4.462 1.006 -2.387) 5.160 1.185 ( -0.984 -0.078 -1.626) 1.902 1.363 ( 6.179 4.968 -3.369) 8.615 1.989 ( 1.497 -1.926 2.096) 3.216 2.128 ( 1.030 8.054 0.155) 8.121 3.027 ( 7.444 5.934 -1.050) 9.577 3.659 ( -6.128 -4.960 -3.819) 8.760 3.840 ( -4.075 2.032 2.190) 5.053 3.915 ( -3.713 5.322 -1.469) 6.653 4.202 ( -0.419 -0.226 0.943) 1.056 4.647 ( 5.068 0.607 0.884) 5.180 4.969 ( -1.931 -5.676 -2.692) 6.572 ======================= Grid point 22 (15/288) ======================= q-point: ( 0.50 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( 0.587 -0.124 -1.636) 1.742 1.169 ( 0.042 0.522 0.006) 0.523 1.533 ( 7.972 1.719 -2.406) 8.503 1.917 ( -3.916 -4.283 2.237) 6.220 2.229 ( -1.440 9.194 -0.763) 9.337 3.152 ( 2.788 1.560 0.156) 3.198 3.518 ( -3.714 -0.397 -0.887) 3.839 3.823 ( -1.914 2.367 1.208) 3.275 3.917 ( -2.458 5.087 -0.572) 5.678 4.192 ( -0.152 -0.582 -0.120) 0.613 4.748 ( 4.873 0.867 0.291) 4.958 4.875 ( -1.688 -5.387 -0.892) 5.715 ======================= Grid point 23 (16/288) ======================= q-point: (-0.43 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( 1.202 0.345 -0.000) 1.251 1.169 ( -0.739 -0.101 0.717) 1.035 1.547 ( -3.828 -6.170 0.420) 7.273 1.895 ( 4.102 0.817 -2.321) 4.783 2.232 ( -6.903 5.995 -0.140) 9.144 3.156 ( -2.418 -1.585 0.970) 3.050 3.544 ( 3.543 4.053 4.511) 7.024 3.817 ( -1.679 2.311 0.107) 2.859 3.921 ( -2.828 4.974 0.292) 5.729 4.189 ( 0.403 -0.210 -0.631) 0.778 4.744 ( -3.729 -3.654 -0.500) 5.244 4.880 ( 6.387 -1.210 0.219) 6.505 ======================= Grid point 24 (17/288) ======================= q-point: (-0.36 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( -2.445 -2.628 1.627) 3.941 1.201 ( 1.441 0.403 1.827) 2.361 1.395 ( -5.940 -3.651 3.406) 7.760 1.963 ( 2.874 -1.936 -3.293) 4.780 2.125 ( -9.034 3.071 -0.474) 9.553 3.042 ( -8.552 -3.567 2.017) 9.484 3.706 ( 6.289 2.927 6.045) 9.201 3.822 ( -0.042 4.027 -1.708) 4.375 3.929 ( -2.249 6.375 1.498) 6.924 4.189 ( -0.264 -0.000 -1.748) 1.767 4.633 ( -3.343 -3.940 -2.060) 5.562 4.995 ( 7.260 -0.897 2.857) 7.853 ======================= Grid point 25 (18/288) ======================= q-point: (-0.29 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( -4.956 -7.065 4.301) 9.642 1.198 ( -3.698 0.679 3.120) 4.886 1.340 ( -0.564 0.600 3.974) 4.058 1.853 ( -10.779 -2.175 0.573) 11.011 2.073 ( 0.928 -0.014 -2.386) 2.560 2.791 ( -15.953 -5.278 1.448) 16.866 3.761 ( 0.289 -1.495 1.871) 2.412 3.861 ( -0.864 2.009 -1.282) 2.535 4.073 ( 6.998 9.558 2.667) 12.143 4.162 ( -1.634 1.572 -4.250) 4.817 4.560 ( -0.029 -3.025 -1.631) 3.437 5.129 ( 7.353 -0.538 5.169) 9.005 ======================= Grid point 26 (19/288) ======================= q-point: (-0.21 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( -7.854 -9.882 5.605) 13.811 1.123 ( -8.370 2.722 5.129) 10.187 1.347 ( -1.098 -0.320 1.352) 1.771 1.641 ( -10.731 -1.105 0.589) 10.804 2.088 ( 1.105 -0.457 0.236) 1.220 2.399 ( -22.051 -6.343 -0.934) 22.964 3.745 ( -0.357 -1.793 0.563) 1.912 3.855 ( -0.543 1.024 -1.129) 1.618 4.075 ( -3.577 -1.107 -1.682) 4.105 4.355 ( 9.803 9.792 -3.528) 14.298 4.561 ( 3.049 -2.117 0.553) 3.752 5.266 ( 6.537 0.080 5.762) 8.714 ======================= Grid point 27 (20/288) ======================= q-point: (-0.14 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.605 ( -10.415 -9.379 4.762) 14.802 0.986 ( -13.817 4.237 7.030) 16.071 1.269 ( -7.187 -2.531 -3.044) 8.205 1.482 ( -6.702 -0.400 -0.080) 6.715 1.928 ( -23.007 -4.991 -1.527) 23.592 2.098 ( -0.208 -0.142 0.321) 0.408 3.722 ( -0.608 -1.148 0.212) 1.316 3.862 ( 0.840 0.379 -0.721) 1.170 4.001 ( -3.317 -0.503 -0.522) 3.396 4.580 ( 8.496 5.605 -6.859) 12.274 4.619 ( 4.989 -1.701 4.316) 6.812 5.386 ( 4.965 0.502 3.984) 6.386 ======================= Grid point 28 (21/288) ======================= q-point: (-0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.364 ( -11.249 -0.000 0.000) 11.249 0.754 ( -18.430 -0.000 0.000) 18.430 0.982 ( -22.034 -0.000 0.000) 22.034 1.396 ( -3.187 -0.000 0.000) 3.187 1.582 ( -12.239 -0.000 0.000) 12.239 2.085 ( -1.164 -0.000 0.000) 1.164 3.704 ( -0.886 -0.000 0.000) 0.886 3.883 ( 1.319 0.000 -0.000) 1.319 3.950 ( -2.216 -0.000 0.000) 2.216 4.701 ( 5.140 0.000 -0.000) 5.140 4.732 ( 6.287 0.000 -0.000) 6.287 5.466 ( 3.017 0.000 -0.000) 3.017 ======================= Grid point 31 (22/288) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( -0.000 12.408 11.622) 17.001 0.801 ( -0.000 16.762 -0.141) 16.762 1.082 ( -0.000 16.880 7.630) 18.524 1.401 ( -0.000 3.850 -1.158) 4.020 1.645 ( -0.000 15.645 -1.126) 15.685 2.113 ( -0.000 -1.159 2.412) 2.676 3.726 ( -0.000 1.673 0.655) 1.797 3.855 ( 0.000 -1.711 -1.529) 2.294 3.961 ( -0.000 1.870 -0.227) 1.884 4.509 ( 0.000 -4.417 -10.838) 11.704 4.765 ( 0.000 -5.868 3.700) 6.937 5.478 ( 0.000 -3.232 -0.910) 3.358 ======================= Grid point 32 (23/288) ======================= q-point: ( 0.21 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( -8.343 13.010 11.165) 19.066 1.008 ( 2.211 13.796 -4.509) 14.681 1.273 ( 2.906 5.043 3.342) 6.711 1.488 ( 3.696 6.708 0.691) 7.690 1.910 ( 8.715 20.944 -0.141) 22.685 2.099 ( -0.392 -0.279 -0.349) 0.595 3.735 ( -0.798 1.586 1.116) 2.097 3.841 ( 0.888 -1.569 -1.438) 2.306 4.000 ( 2.068 2.378 0.262) 3.163 4.462 ( 2.900 -5.686 -5.552) 8.459 4.688 ( -2.728 -7.370 3.383) 8.556 5.386 ( -5.498 -3.018 -3.713) 7.288 ======================= Grid point 33 (24/288) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( -2.379 10.876 7.092) 13.200 1.135 ( 0.860 9.210 -3.885) 10.033 1.321 ( 0.130 0.698 -1.966) 2.090 1.642 ( 4.476 9.516 0.338) 10.521 2.060 ( 0.204 -0.193 -2.285) 2.303 2.337 ( 12.172 18.894 0.920) 22.494 3.741 ( -0.631 0.940 1.441) 1.833 3.854 ( 1.996 0.061 -1.029) 2.246 4.072 ( 2.656 2.538 1.313) 3.901 4.448 ( 3.300 -5.648 -2.383) 6.962 4.543 ( -6.756 -6.498 2.670) 9.746 5.224 ( -6.843 -3.935 -5.839) 9.818 ======================= Grid point 34 (25/288) ======================= q-point: ( 0.36 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( 1.807 7.720 2.665) 8.365 1.202 ( -0.053 4.188 -1.729) 4.531 1.307 ( -0.541 0.904 -4.208) 4.338 1.831 ( 5.401 9.610 -0.050) 11.024 2.072 ( 1.812 0.643 0.662) 2.034 2.706 ( 10.374 14.522 -1.076) 17.879 3.736 ( -0.853 -0.104 -0.093) 0.865 3.894 ( 1.211 2.320 -1.088) 2.834 4.122 ( -0.084 0.099 0.555) 0.570 4.347 ( -9.418 -1.752 1.886) 9.764 4.474 ( 4.738 -3.463 -0.002) 5.869 5.052 ( -4.711 -6.006 -5.583) 9.457 ======================= Grid point 35 (26/288) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( 3.361 5.170 0.528) 6.189 1.199 ( -1.247 -0.614 -0.881) 1.645 1.335 ( 2.167 4.308 -2.352) 5.365 1.955 ( 1.855 -0.285 2.003) 2.745 2.176 ( 3.973 10.164 0.349) 10.918 2.970 ( 6.962 8.629 -1.055) 11.138 3.693 ( -3.396 -1.164 -3.213) 4.818 3.919 ( -1.383 2.570 -0.622) 2.984 4.058 ( -5.377 1.233 -0.569) 5.546 4.236 ( -4.217 1.239 1.240) 4.567 4.552 ( 5.875 -0.720 0.712) 5.962 4.918 ( -1.473 -7.204 -3.025) 7.951 ======================= Grid point 36 (27/288) ======================= q-point: ( 0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( 0.975 1.857 -1.385) 2.513 1.176 ( -0.140 0.468 0.298) 0.572 1.436 ( 4.881 2.822 -0.240) 5.643 1.933 ( -1.884 -3.813 2.531) 4.949 2.351 ( 0.970 13.318 -0.848) 13.380 3.118 ( 3.647 3.080 0.391) 4.790 3.588 ( -5.086 0.072 -3.410) 6.123 3.900 ( -2.930 2.438 1.506) 4.099 4.032 ( -2.491 6.186 -0.863) 6.725 4.189 ( -1.816 -0.881 -0.003) 2.019 4.650 ( 5.804 -0.497 -0.820) 5.883 4.832 ( -0.334 -6.460 -0.202) 6.472 ======================= Grid point 37 (28/288) ======================= q-point: (-0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( 0.765 0.223 -0.782) 1.116 1.189 ( -0.702 1.276 0.507) 1.542 1.504 ( 1.640 -3.142 -0.881) 3.652 1.872 ( -1.202 -1.067 0.389) 1.654 2.432 ( -5.929 10.829 -0.956) 12.383 3.166 ( 0.262 -0.496 1.207) 1.331 3.560 ( 0.680 4.059 1.801) 4.492 3.885 ( -2.411 2.696 1.138) 3.792 4.053 ( -4.027 8.339 0.132) 9.261 4.163 ( 1.135 -2.397 -0.604) 2.720 4.736 ( 5.886 -4.142 -1.793) 7.417 4.759 ( -1.486 -3.225 0.771) 3.633 ======================= Grid point 38 (29/288) ======================= q-point: (-0.36 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( -2.146 -0.414 0.078) 2.187 1.177 ( 1.381 -0.024 1.435) 1.992 1.436 ( -2.810 -4.225 -0.341) 5.085 1.883 ( 2.531 -0.244 -2.260) 3.402 2.354 ( -11.615 5.446 -0.450) 12.837 3.130 ( -3.866 -1.605 1.547) 4.462 3.682 ( 4.388 5.744 5.642) 9.169 3.877 ( -1.778 3.569 -0.455) 4.013 4.055 ( -4.054 6.481 1.516) 7.793 4.177 ( 1.476 0.337 -1.221) 1.945 4.643 ( -3.619 -5.678 -1.663) 6.936 4.842 ( 7.981 -2.701 0.745) 8.459 ======================= Grid point 39 (30/288) ======================= q-point: (-0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( -5.255 -3.478 2.216) 6.680 1.215 ( 1.490 0.188 0.834) 1.718 1.375 ( -1.390 -0.420 1.667) 2.210 1.911 ( 1.555 -1.309 -2.365) 3.118 2.169 ( -12.015 1.470 -0.337) 12.109 2.995 ( -10.544 -2.044 1.452) 10.838 3.769 ( -0.647 0.632 4.231) 4.327 3.910 ( -0.827 5.039 -1.415) 5.299 4.084 ( 1.546 3.827 2.117) 4.638 4.203 ( -0.530 5.304 -1.803) 5.627 4.525 ( -1.928 -5.585 -2.195) 6.303 4.974 ( 9.574 -2.479 2.477) 10.195 ======================= Grid point 40 (31/288) ======================= q-point: (-0.21 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( -7.836 -3.620 2.272) 8.926 1.222 ( -1.451 0.390 0.663) 1.642 1.371 ( -0.651 0.421 1.846) 2.002 1.832 ( -9.943 -0.394 0.083) 9.951 2.057 ( -0.004 -0.285 -0.826) 0.874 2.723 ( -18.794 -1.960 0.520) 18.903 3.749 ( -1.610 -0.620 1.150) 2.074 3.895 ( -3.034 1.510 -0.862) 3.497 4.112 ( -1.432 -0.627 -0.367) 1.606 4.319 ( 4.936 9.541 -0.898) 10.779 4.471 ( 2.579 -5.292 -0.469) 5.906 5.132 ( 9.463 -1.035 2.404) 9.818 ======================= Grid point 41 (32/288) ======================= q-point: (-0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( -10.462 -0.000 0.000) 10.462 1.171 ( -5.360 -0.000 0.000) 5.360 1.346 ( -3.148 -0.000 0.000) 3.148 1.637 ( -10.891 -0.000 0.000) 10.891 2.084 ( 1.782 0.000 -0.000) 1.782 2.328 ( -24.499 -0.000 0.000) 24.499 3.725 ( -0.743 -0.000 0.000) 0.743 3.863 ( -1.003 -0.000 0.000) 1.003 4.059 ( -3.545 -0.000 0.000) 3.545 4.489 ( 6.720 0.000 -0.000) 6.720 4.501 ( 5.489 0.000 -0.000) 5.489 5.283 ( 7.665 0.000 -0.000) 7.665 ======================= Grid point 46 (33/288) ======================= q-point: ( 0.21 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( -0.000 6.580 5.251) 8.418 1.085 ( -0.000 11.443 -0.145) 11.444 1.332 ( -0.000 5.567 4.533) 7.180 1.520 ( -0.000 8.722 0.076) 8.723 2.052 ( -0.000 14.872 -2.032) 15.010 2.106 ( -0.000 8.610 0.069) 8.611 3.761 ( -0.000 1.147 0.122) 1.154 3.821 ( 0.000 -0.372 -0.948) 1.018 3.990 ( -0.000 1.215 -0.789) 1.449 4.366 ( 0.000 -5.564 -1.368) 5.730 4.639 ( 0.000 -7.758 0.732) 7.792 5.395 ( 0.000 -3.685 -3.315) 4.957 ======================= Grid point 47 (34/288) ======================= q-point: ( 0.29 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( -4.168 6.542 4.678) 9.058 1.192 ( 0.621 6.885 -0.803) 6.959 1.354 ( -2.418 2.615 -0.535) 3.602 1.664 ( 4.154 10.081 0.696) 10.926 2.048 ( -0.282 -1.795 -2.362) 2.980 2.389 ( 6.055 23.358 0.261) 24.131 3.785 ( -0.195 2.320 1.886) 2.996 3.803 ( 0.624 -0.994 -2.090) 2.397 4.042 ( 3.834 1.634 -0.054) 4.168 4.331 ( 2.092 -5.764 1.162) 6.241 4.545 ( -1.915 -7.047 -1.119) 7.388 5.291 ( -5.826 -4.089 -3.949) 8.140 ======================= Grid point 48 (35/288) ======================= q-point: ( 0.36 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( -2.274 6.430 3.828) 7.822 1.236 ( -0.882 2.075 0.367) 2.285 1.327 ( -1.600 2.456 -4.280) 5.187 1.840 ( 4.138 8.395 0.365) 9.366 2.048 ( 2.410 1.053 0.582) 2.693 2.714 ( 6.768 17.977 -1.069) 19.239 3.769 ( -1.881 1.279 -0.246) 2.288 3.858 ( 3.658 0.817 -1.339) 3.980 4.118 ( 1.830 1.210 0.894) 2.370 4.335 ( 4.665 -5.092 1.745) 7.123 4.437 ( -3.165 -3.724 -1.569) 5.133 5.103 ( -8.473 -4.996 -4.111) 10.661 ======================= Grid point 49 (36/288) ======================= q-point: ( 0.43 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( 0.075 6.277 3.516) 7.195 1.210 ( -1.743 -1.218 -0.318) 2.150 1.343 ( 0.827 3.624 -2.153) 4.296 1.929 ( 1.482 -0.479 2.122) 2.633 2.197 ( 6.395 11.016 1.100) 12.785 2.959 ( 4.942 11.098 -1.257) 12.214 3.741 ( -2.939 1.519 -2.491) 4.141 3.913 ( 3.000 0.162 -3.544) 4.646 4.104 ( -2.772 -1.876 0.586) 3.398 4.346 ( -2.962 1.108 -0.347) 3.181 4.438 ( 6.453 -0.753 2.504) 6.962 4.899 ( -6.325 -6.285 -3.218) 9.480 ======================= Grid point 50 (37/288) ======================= q-point: ( 0.50 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( -1.794 0.650 0.115) 1.912 1.187 ( 0.778 3.625 1.985) 4.205 1.404 ( 2.520 2.393 0.899) 3.590 1.928 ( -0.402 -2.543 2.703) 3.732 2.439 ( 5.313 14.424 0.493) 15.380 3.099 ( 2.583 4.415 -0.196) 5.119 3.672 ( -5.102 1.576 -4.831) 7.200 3.946 ( 1.435 0.523 -3.450) 3.773 4.041 ( -0.612 -2.806 0.978) 3.034 4.303 ( -5.892 4.777 1.403) 7.714 4.550 ( 5.363 -0.134 0.462) 5.385 4.766 ( -0.615 -6.170 -1.132) 6.303 ======================= Grid point 51 (38/288) ======================= q-point: ( 0.57 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( -0.422 -0.075 -0.298) 0.522 1.230 ( -1.086 3.543 1.328) 3.936 1.455 ( 1.379 -1.328 0.927) 2.127 1.892 ( -1.730 -1.299 1.299) 2.523 2.628 ( -1.745 14.038 -0.309) 14.149 3.148 ( 1.326 -0.648 1.005) 1.786 3.611 ( -2.051 3.662 -1.844) 4.584 3.946 ( -1.429 1.633 -1.033) 2.403 4.049 ( 4.840 -4.448 -0.477) 6.591 4.250 ( -6.731 6.536 2.138) 9.623 4.610 ( 3.417 -2.478 -2.216) 4.768 4.730 ( 1.254 -3.656 0.729) 3.934 ======================= Grid point 52 (39/288) ======================= q-point: (-0.36 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( 1.057 0.246 -0.119) 1.092 1.224 ( -3.182 1.534 1.117) 3.705 1.425 ( -1.128 -3.474 -0.907) 3.763 1.866 ( -0.625 0.076 -0.226) 0.669 2.618 ( -11.242 7.493 -0.773) 13.532 3.154 ( 0.003 -1.220 1.294) 1.779 3.687 ( 3.753 6.608 2.762) 8.086 3.934 ( -1.435 2.184 -1.288) 2.914 4.079 ( 3.698 -5.790 0.257) 6.875 4.239 ( -3.860 9.131 2.144) 10.142 4.597 ( 0.830 -6.706 -2.881) 7.346 4.731 ( 2.079 -1.262 0.598) 2.504 ======================= Grid point 53 (40/288) ======================= q-point: (-0.29 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( -5.177 -0.702 0.586) 5.257 1.183 ( 2.087 0.069 0.358) 2.119 1.382 ( -0.410 -1.031 -0.427) 1.189 1.867 ( 0.987 -0.217 -0.907) 1.358 2.427 ( -14.744 1.885 -0.248) 14.866 3.115 ( -4.412 -0.565 0.750) 4.511 3.804 ( 0.462 2.532 3.190) 4.099 3.959 ( 1.123 5.627 -1.881) 6.038 4.065 ( 1.334 -4.672 1.024) 4.965 4.297 ( -1.741 9.255 1.774) 9.583 4.494 ( -2.409 -7.759 -2.787) 8.589 4.799 ( 7.307 -1.540 0.617) 7.493 ======================= Grid point 54 (41/288) ======================= q-point: (-0.21 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( -6.424 -0.000 0.000) 6.424 1.220 ( 1.520 0.000 -0.000) 1.520 1.379 ( 0.177 0.000 -0.000) 0.177 1.889 ( 1.330 0.000 -0.000) 1.330 2.182 ( -13.192 -0.000 0.000) 13.192 2.980 ( -11.323 -0.000 0.000) 11.323 3.789 ( -2.506 -0.000 0.000) 2.506 3.970 ( -3.731 -0.000 0.000) 3.731 4.093 ( 3.249 0.000 -0.000) 3.249 4.353 ( -0.270 -0.000 0.000) 0.270 4.393 ( -0.237 -0.000 0.000) 0.237 4.951 ( 10.420 0.000 -0.000) 10.420 ======================= Grid point 61 (42/288) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( -0.000 1.669 0.049) 1.669 1.255 ( -0.000 5.587 0.139) 5.589 1.404 ( 0.000 0.806 -1.103) 1.366 1.731 ( -0.000 11.103 0.370) 11.109 2.012 ( 0.000 -3.697 -2.130) 4.267 2.584 ( -0.000 23.943 0.508) 23.949 3.763 ( 0.000 -0.200 -0.389) 0.437 3.841 ( -0.000 2.025 0.085) 2.027 4.003 ( -0.000 0.581 0.125) 0.594 4.275 ( 0.000 -4.677 4.447) 6.454 4.486 ( 0.000 -5.759 -4.007) 7.015 5.288 ( 0.000 -4.892 -3.427) 5.973 ======================= Grid point 62 (43/288) ======================= q-point: ( 0.36 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( 0.008 1.215 -0.664) 1.385 1.285 ( -1.435 1.689 1.153) 2.498 1.370 ( -2.118 0.842 -4.562) 5.100 1.864 ( 2.119 7.616 0.227) 7.909 1.999 ( 3.603 -0.790 0.080) 3.690 2.828 ( 1.971 19.453 -0.126) 19.553 3.777 ( 1.390 -0.115 -1.688) 2.190 3.847 ( -1.037 2.394 1.231) 2.885 4.065 ( 5.022 0.646 0.307) 5.073 4.249 ( 0.582 -4.549 4.927) 6.731 4.421 ( -0.521 -2.547 -4.919) 5.564 5.173 ( -5.782 -5.548 -3.050) 8.574 ======================= Grid point 63 (44/288) ======================= q-point: ( 0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( 1.748 1.264 0.003) 2.158 1.250 ( -2.456 -0.306 0.787) 2.597 1.360 ( 0.079 2.287 -2.306) 3.249 1.910 ( 0.714 -0.893 2.284) 2.554 2.165 ( 8.924 8.420 0.139) 12.270 3.021 ( 1.521 12.789 -0.449) 12.887 3.791 ( -0.279 1.809 -2.402) 3.020 3.852 ( 0.240 -0.474 -1.450) 1.544 4.130 ( -0.267 -0.363 0.413) 0.612 4.261 ( 6.172 -3.723 1.723) 7.411 4.410 ( 0.849 2.308 -1.209) 2.741 4.975 ( -8.773 -5.664 -2.229) 10.678 ======================= Grid point 64 (45/288) ======================= q-point: ( 0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( 0.474 -1.142 -0.132) 1.244 1.245 ( 0.048 3.827 2.335) 4.483 1.392 ( 1.484 1.412 0.737) 2.177 1.915 ( 0.441 -1.553 2.687) 3.135 2.434 ( 10.487 10.701 0.510) 14.991 3.130 ( -0.112 6.373 -0.137) 6.375 3.761 ( -4.449 2.503 -5.067) 7.193 3.853 ( 3.010 -3.368 -2.565) 5.194 4.075 ( -3.507 -1.181 0.703) 3.766 4.367 ( 5.584 0.638 -0.589) 5.651 4.470 ( 2.577 2.075 2.367) 4.068 4.773 ( -6.927 -4.431 -1.419) 8.345 ======================= Grid point 65 (46/288) ======================= q-point: ( 0.57 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( -0.482 -0.706 -0.096) 0.860 1.297 ( -0.574 4.474 1.704) 4.821 1.426 ( 1.100 -1.149 1.903) 2.480 1.908 ( -0.703 -0.751 1.594) 1.897 2.725 ( 8.049 12.592 1.203) 14.993 3.141 ( -2.129 -0.135 -0.081) 2.134 3.686 ( -3.868 2.597 -4.723) 6.634 3.866 ( 4.374 -5.235 -2.357) 7.217 4.018 ( -2.391 -0.390 1.223) 2.714 4.416 ( -3.302 4.724 1.992) 6.098 4.540 ( 3.469 -1.259 0.200) 3.696 4.669 ( -0.075 -2.672 -1.172) 2.919 ======================= Grid point 66 (47/288) ======================= q-point: (-0.36 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( 0.124 -0.074 0.004) 0.144 1.313 ( -3.212 3.501 1.273) 4.919 1.406 ( -0.666 -3.159 -0.073) 3.229 1.888 ( -1.432 0.002 0.358) 1.476 2.876 ( -7.990 9.445 0.053) 12.371 3.103 ( 3.536 -3.933 0.483) 5.311 3.700 ( 2.146 5.242 -0.179) 5.667 3.890 ( 5.785 -5.571 -2.671) 8.463 3.989 ( -0.948 -0.537 1.471) 1.830 4.403 ( -4.310 6.209 3.380) 8.280 4.528 ( -0.787 -4.034 -3.298) 5.269 4.687 ( 2.763 -1.109 0.293) 2.992 ======================= Grid point 67 (48/288) ======================= q-point: (-0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( 1.204 0.000 -0.000) 1.204 1.249 ( -5.598 -0.000 0.000) 5.598 1.380 ( -0.331 -0.000 0.000) 0.331 1.866 ( -0.882 -0.000 0.000) 0.882 2.695 ( -14.493 -0.000 0.000) 14.493 3.144 ( 0.868 0.000 -0.000) 0.868 3.798 ( 3.253 0.000 -0.000) 3.253 3.959 ( 5.486 0.000 -0.000) 5.486 3.980 ( 0.479 0.000 -0.000) 0.479 4.425 ( -2.606 -0.000 0.000) 2.606 4.437 ( -1.132 -0.000 0.000) 1.132 4.719 ( 1.986 0.000 -0.000) 1.986 ======================= Grid point 76 (49/288) ======================= q-point: ( 0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( 0.000 -0.007 -1.804) 1.804 1.298 ( 0.000 -2.721 -0.392) 2.749 1.369 ( 0.000 0.082 -6.416) 6.417 1.929 ( 0.000 -3.803 1.464) 4.075 1.937 ( -0.000 8.973 -0.674) 8.998 2.999 ( -0.000 16.355 0.093) 16.356 3.762 ( 0.000 0.228 -0.314) 0.389 3.886 ( -0.000 2.090 0.562) 2.164 4.023 ( -0.000 0.923 1.248) 1.553 4.223 ( -0.000 -3.898 5.307) 6.584 4.395 ( 0.000 0.947 -6.054) 6.128 5.154 ( 0.000 -6.711 -2.468) 7.151 ======================= Grid point 77 (50/288) ======================= q-point: ( 0.43 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( 1.139 -0.173 -1.397) 1.811 1.247 ( 0.280 -4.197 -2.492) 4.889 1.363 ( 0.415 0.810 -2.888) 3.028 1.899 ( -0.017 -1.876 2.402) 3.048 2.083 ( 7.282 6.306 -1.031) 9.688 3.136 ( -0.173 10.793 0.031) 10.794 3.778 ( 1.356 0.741 -0.090) 1.548 3.889 ( -2.029 1.599 -0.490) 2.629 4.075 ( 4.246 0.366 0.034) 4.262 4.193 ( -0.611 -3.704 3.081) 4.857 4.419 ( 1.042 4.992 -3.145) 5.991 5.030 ( -4.971 -7.097 -1.651) 8.821 ======================= Grid point 78 (51/288) ======================= q-point: ( 0.50 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( 1.889 -0.544 0.061) 1.967 1.241 ( 2.753 -0.582 -0.232) 2.823 1.380 ( 1.320 0.692 -0.594) 1.604 1.899 ( 0.742 -1.129 2.174) 2.560 2.306 ( 12.033 5.235 -0.952) 13.157 3.210 ( -1.000 5.959 0.279) 6.049 3.806 ( 0.321 0.208 1.456) 1.505 3.842 ( -3.952 1.192 -4.105) 5.822 4.117 ( -1.846 -0.836 0.062) 2.027 4.207 ( 8.044 -2.028 0.097) 8.296 4.488 ( 0.872 4.953 -0.464) 5.051 4.854 ( -6.871 -5.278 -0.459) 8.676 ======================= Grid point 79 (52/288) ======================= q-point: ( 0.57 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( 0.260 -0.610 -0.026) 0.664 1.312 ( 3.356 1.650 0.616) 3.790 1.408 ( 0.908 -0.131 1.019) 1.371 1.909 ( 0.483 -0.382 1.129) 1.286 2.594 ( 15.241 4.346 0.008) 15.849 3.216 ( -3.506 2.160 0.279) 4.127 3.753 ( -4.084 -0.412 -3.547) 5.425 3.802 ( -1.126 -0.470 0.277) 1.252 4.063 ( -2.856 -0.344 0.180) 2.883 4.364 ( 9.958 -0.362 -0.115) 9.966 4.521 ( -0.875 1.432 0.611) 1.786 4.710 ( -5.478 -1.414 -0.255) 5.663 ======================= Grid point 80 (53/288) ======================= q-point: (-0.36 -0.64 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( -0.124 -0.000 0.000) 0.124 1.369 ( 1.666 0.000 -0.000) 1.666 1.397 ( -2.045 -0.000 0.000) 2.045 1.908 ( -0.653 -0.000 0.000) 0.653 2.886 ( 14.084 0.000 -0.000) 14.084 3.118 ( -8.716 -0.000 0.000) 8.716 3.705 ( -0.136 -0.000 0.000) 0.136 3.787 ( 0.929 0.000 -0.000) 0.929 4.019 ( -2.114 -0.000 0.000) 2.114 4.497 ( 3.241 0.000 -0.000) 3.241 4.503 ( -1.758 -0.000 0.000) 1.758 4.639 ( -0.515 -0.000 0.000) 0.515 ======================= Grid point 92 (54/288) ======================= q-point: ( 0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( 0.000 -0.284 -1.508) 1.534 1.166 ( 0.000 -5.953 -4.756) 7.619 1.354 ( 0.000 -0.028 -1.669) 1.669 1.885 ( -0.000 -1.797 2.096) 2.761 2.071 ( -0.000 4.837 -0.839) 4.909 3.224 ( -0.000 6.329 -0.100) 6.329 3.765 ( 0.000 0.281 -0.347) 0.447 3.926 ( -0.000 1.355 0.679) 1.516 4.053 ( -0.000 1.711 -0.250) 1.730 4.174 ( 0.000 -3.346 2.695) 4.296 4.466 ( -0.000 7.831 -2.414) 8.194 4.991 ( 0.000 -8.093 -1.217) 8.184 ======================= Grid point 93 (55/288) ======================= q-point: ( 0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( 1.735 -0.156 0.074) 1.743 1.149 ( 4.380 -2.668 -2.427) 5.674 1.358 ( 1.072 -0.023 -0.711) 1.287 1.882 ( 0.550 -0.752 1.190) 1.511 2.168 ( 7.031 2.360 -0.642) 7.445 3.266 ( -0.294 2.759 -0.004) 2.774 3.796 ( 2.547 0.583 0.436) 2.649 3.907 ( -3.276 0.624 -0.564) 3.382 4.087 ( 2.600 1.003 -0.591) 2.848 4.145 ( -0.832 -2.178 1.156) 2.603 4.537 ( -0.204 5.999 -0.857) 6.063 4.883 ( -3.149 -5.811 -0.370) 6.619 ======================= Grid point 94 (56/288) ======================= q-point: (-0.43 -0.57 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( 1.368 0.000 -0.000) 1.368 1.233 ( 5.946 0.000 -0.000) 5.946 1.385 ( 1.835 0.000 -0.000) 1.835 1.895 ( 0.938 0.000 -0.000) 0.938 2.356 ( 13.119 0.000 -0.000) 13.119 3.268 ( -1.168 -0.000 0.000) 1.168 3.828 ( -0.349 -0.000 0.000) 0.349 3.830 ( -5.234 -0.000 0.000) 5.234 4.107 ( -2.249 -0.000 0.000) 2.249 4.186 ( 8.608 0.000 -0.000) 8.608 4.552 ( -1.190 -0.000 0.000) 1.190 4.788 ( -4.444 -0.000 0.000) 4.444 ======================= Grid point 109 (57/288) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( -0.000 0.000 0.000) 0.000 1.082 ( -0.000 0.000 0.000) 0.000 1.347 ( -0.000 0.000 0.000) 0.000 1.875 ( -0.000 0.000 0.000) 0.000 2.118 ( -0.000 0.000 -0.000) 0.000 3.281 ( -0.000 0.000 0.000) 0.000 3.767 ( -0.000 0.000 0.000) 0.000 3.942 ( -0.000 0.000 0.000) 0.000 4.077 ( -0.000 0.000 0.000) 0.000 4.141 ( -0.000 0.000 0.000) 0.000 4.578 ( -0.000 0.000 0.000) 0.000 4.872 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 218 (58/288) ======================= q-point: ( 0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.189 ( -0.000 -0.000 19.962) 19.962 0.189 ( -0.000 -0.000 19.962) 19.962 0.298 ( -0.000 -0.000 31.637) 31.637 1.344 ( 0.000 0.000 -0.918) 0.918 1.344 ( 0.000 0.000 -0.918) 0.918 2.875 ( 0.000 0.000 -4.686) 4.686 3.685 ( -0.000 -0.000 0.467) 0.467 3.685 ( -0.000 -0.000 0.467) 0.467 3.908 ( 0.000 0.000 -0.575) 0.575 3.908 ( 0.000 0.000 -0.575) 0.575 4.805 ( -0.000 -0.000 0.993) 0.993 5.746 ( 0.000 0.000 -0.179) 0.179 ======================= Grid point 219 (59/288) ======================= q-point: ( 0.14 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.251 ( 8.955 5.170 5.076) 11.520 0.267 ( 8.027 4.634 6.234) 11.170 0.848 ( 22.024 12.716 19.448) 32.015 1.359 ( 1.437 0.830 -0.798) 1.841 1.434 ( 6.188 3.572 -3.032) 7.762 2.203 ( -10.948 -6.321 15.165) 19.743 3.692 ( 0.577 0.333 0.324) 0.741 3.904 ( -0.529 -0.305 -0.151) 0.629 3.915 ( 1.245 0.719 -0.867) 1.679 4.521 ( 13.576 7.838 -28.853) 32.836 4.832 ( 1.131 0.653 1.196) 1.771 5.536 ( -9.594 -5.539 4.877) 12.104 ======================= Grid point 220 (60/288) ======================= q-point: ( 0.21 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.511 ( 11.565 6.677 -5.410) 14.408 0.520 ( 12.654 7.306 -1.349) 14.673 1.256 ( 7.747 4.472 7.720) 11.816 1.409 ( 3.168 1.829 -0.535) 3.697 1.688 ( 17.001 9.815 2.351) 19.771 2.104 ( -1.966 -1.135 1.553) 2.751 3.712 ( 1.054 0.609 -0.044) 1.218 3.886 ( -0.976 -0.564 0.206) 1.146 3.965 ( 3.067 1.771 0.613) 3.594 4.587 ( 1.169 0.675 -10.062) 10.152 4.789 ( -6.816 -3.935 7.363) 10.778 5.359 ( -5.643 -3.258 -6.675) 9.328 ======================= Grid point 221 (61/288) ======================= q-point: ( 0.29 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( 10.326 5.962 -9.095) 14.996 0.795 ( 11.043 6.376 -2.585) 13.011 1.340 ( 0.264 0.153 0.310) 0.435 1.512 ( 6.129 3.538 -0.264) 7.082 2.050 ( 4.939 2.852 -3.826) 6.868 2.177 ( 14.893 8.599 4.641) 17.812 3.738 ( 1.240 0.716 -0.500) 1.516 3.865 ( -0.853 -0.493 0.491) 1.101 4.053 ( 3.805 2.197 2.122) 4.879 4.547 ( -9.007 -5.200 2.653) 10.733 4.590 ( -5.076 -2.931 1.789) 6.128 5.229 ( -3.444 -1.989 -10.372) 11.108 ======================= Grid point 222 (62/288) ======================= q-point: ( 0.36 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( 9.397 5.425 -9.741) 14.581 0.993 ( 6.673 3.852 -2.559) 8.119 1.312 ( -1.778 -1.027 -2.106) 2.941 1.694 ( 9.355 5.401 -0.423) 10.811 2.092 ( 1.429 0.825 -0.813) 1.839 2.574 ( 15.885 9.171 0.491) 18.349 3.764 ( 1.096 0.633 -0.598) 1.400 3.853 ( -0.302 -0.175 0.544) 0.647 4.106 ( -3.310 -1.911 -0.468) 3.851 4.250 ( -10.610 -6.126 6.683) 13.956 4.578 ( 1.070 0.618 -1.023) 1.604 5.125 ( -3.115 -1.798 -7.970) 8.744 ======================= Grid point 223 (63/288) ======================= q-point: ( 0.43 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( 3.319 1.916 -1.988) 4.317 1.117 ( 7.130 4.117 -6.840) 10.703 1.281 ( 1.431 0.826 -2.681) 3.150 1.915 ( 9.269 5.351 -0.902) 10.741 2.100 ( -1.378 -0.796 1.578) 2.241 2.892 ( 11.553 6.670 -0.846) 13.367 3.783 ( 0.681 0.393 -0.139) 0.798 3.825 ( -13.820 -7.979 -0.947) 15.986 3.854 ( 0.252 0.146 0.295) 0.415 4.208 ( -0.203 -0.117 1.748) 1.764 4.627 ( 3.162 1.826 0.467) 3.681 5.034 ( -3.201 -1.848 -4.283) 5.657 ======================= Grid point 224 (64/288) ======================= q-point: ( 0.50 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( 1.526 0.881 -1.401) 2.251 1.160 ( -0.166 -0.096 -2.167) 2.175 1.432 ( 10.133 5.850 -4.387) 12.496 2.021 ( -5.984 -3.455 2.143) 7.235 2.090 ( 5.727 3.306 -1.026) 6.692 3.098 ( 6.219 3.590 -0.033) 7.181 3.568 ( -7.282 -4.204 0.250) 8.412 3.793 ( 0.173 0.100 0.212) 0.291 3.863 ( 0.414 0.239 0.239) 0.535 4.199 ( -0.572 -0.330 -0.052) 0.662 4.717 ( 4.227 2.441 0.506) 4.907 4.946 ( -3.592 -2.074 -1.880) 4.554 ======================= Grid point 225 (65/288) ======================= q-point: (-0.43 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( 0.749 0.432 -0.235) 0.896 1.165 ( 0.361 0.208 -0.858) 0.954 1.605 ( 2.875 1.660 -3.986) 5.187 1.888 ( -2.803 -1.618 0.518) 3.278 2.160 ( 0.378 0.218 -0.577) 0.723 3.174 ( 0.295 0.170 0.804) 0.873 3.511 ( 1.419 0.819 5.272) 5.521 3.793 ( -0.219 -0.126 0.005) 0.253 3.871 ( 0.132 0.076 0.562) 0.582 4.189 ( -0.137 -0.079 -0.638) 0.658 4.790 ( -0.950 -0.548 0.849) 1.387 4.881 ( 1.181 0.682 -1.741) 2.211 ======================= Grid point 226 (66/288) ======================= q-point: (-0.36 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( -0.715 -0.413 -0.171) 0.843 1.194 ( 1.854 1.071 1.527) 2.630 1.502 ( -7.777 -4.490 2.110) 9.224 1.950 ( 5.465 3.155 -4.826) 7.944 2.103 ( -5.195 -2.999 0.186) 6.002 3.121 ( -5.436 -3.139 2.315) 6.690 3.641 ( 7.476 4.316 7.525) 11.452 3.786 ( -0.286 -0.165 -0.392) 0.512 3.871 ( -0.419 -0.242 0.826) 0.957 4.186 ( -0.136 -0.078 -1.384) 1.393 4.692 ( -4.873 -2.814 -2.197) 6.041 4.982 ( 5.457 3.150 1.664) 6.517 ======================= Grid point 227 (67/288) ======================= q-point: (-0.29 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( -2.249 -1.299 0.951) 2.766 1.223 ( -1.509 -0.871 3.959) 4.326 1.365 ( -3.673 -2.120 5.518) 6.960 1.933 ( -9.233 -5.331 0.846) 10.695 2.039 ( 3.416 1.972 -4.685) 6.125 2.926 ( -12.256 -7.076 2.530) 14.377 3.779 ( -0.131 -0.076 -0.462) 0.486 3.857 ( -0.863 -0.498 0.596) 1.161 3.881 ( 11.168 6.448 4.755) 13.744 4.161 ( -1.642 -0.948 -2.608) 3.224 4.594 ( -2.410 -1.392 -3.018) 4.105 5.121 ( 5.601 3.234 4.205) 7.714 ======================= Grid point 228 (68/288) ======================= q-point: (-0.21 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( -5.274 -3.045 3.036) 6.805 1.128 ( -7.296 -4.212 9.000) 12.327 1.356 ( -0.242 -0.140 2.582) 2.597 1.707 ( -9.780 -5.647 0.974) 11.335 2.085 ( 1.555 0.898 -1.722) 2.488 2.571 ( -18.502 -10.682 0.237) 21.366 3.774 ( -0.510 -0.294 0.211) 0.625 3.841 ( -0.379 -0.219 -0.477) 0.647 4.092 ( -2.503 -1.445 -4.496) 5.345 4.167 ( 11.717 6.765 1.092) 13.573 4.572 ( 1.014 0.586 -1.574) 1.962 5.261 ( 5.052 2.917 5.427) 7.968 ======================= Grid point 229 (69/288) ======================= q-point: (-0.14 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( -9.866 -5.696 6.609) 13.171 0.960 ( -10.076 -5.818 11.692) 16.495 1.314 ( -4.321 -2.495 -1.692) 5.268 1.517 ( -6.451 -3.724 0.244) 7.453 2.096 ( -19.025 -10.984 -0.850) 21.985 2.104 ( -2.103 -1.214 -1.186) 2.703 3.752 ( -1.439 -0.831 0.788) 1.840 3.845 ( 0.956 0.552 -1.421) 1.799 4.017 ( -2.682 -1.548 -1.754) 3.559 4.427 ( 10.701 6.178 -5.434) 13.499 4.623 ( 3.284 1.896 1.381) 4.036 5.382 ( 3.900 2.252 4.860) 6.625 ======================= Grid point 230 (70/288) ======================= q-point: (-0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.652 ( -12.532 -7.236 10.870) 18.099 0.734 ( -12.814 -7.398 12.856) 19.601 1.085 ( -15.944 -9.205 -6.828) 19.636 1.409 ( -3.102 -1.791 -0.520) 3.619 1.657 ( -13.844 -7.993 -1.337) 16.042 2.094 ( -0.850 -0.491 1.283) 1.615 3.719 ( -1.422 -0.821 0.651) 1.767 3.869 ( 1.392 0.803 -1.397) 2.129 3.962 ( -1.902 -1.098 0.049) 2.197 4.611 ( 7.152 4.129 -10.759) 13.563 4.726 ( 4.495 2.595 4.839) 7.096 5.468 ( 2.443 1.411 3.072) 4.171 ======================= Grid point 233 (71/288) ======================= q-point: ( 0.14 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.367 ( -0.000 21.769 -4.630) 22.256 0.548 ( -0.000 12.642 16.030) 20.415 0.769 ( -0.000 17.519 23.552) 29.354 1.346 ( 0.000 1.367 -1.827) 2.282 1.429 ( -0.000 7.135 -2.617) 7.600 2.256 ( 0.000 -15.175 13.950) 20.613 3.700 ( -0.000 1.000 0.768) 1.261 3.884 ( 0.000 -1.438 -1.338) 1.964 3.924 ( -0.000 1.660 -0.696) 1.800 4.392 ( 0.000 16.699 -27.263) 31.971 4.831 ( -0.000 0.645 1.418) 1.558 5.584 ( 0.000 -8.564 3.593) 9.287 ======================= Grid point 234 (72/288) ======================= q-point: ( 0.21 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.545 ( -6.984 13.445 12.687) 19.761 0.611 ( 0.562 21.544 -4.222) 21.961 1.173 ( 11.113 7.905 11.817) 18.046 1.388 ( 2.667 3.282 -0.655) 4.280 1.574 ( 8.636 12.135 0.026) 14.894 2.139 ( -3.341 -4.272 3.503) 6.456 3.710 ( -0.080 1.131 0.693) 1.329 3.872 ( 0.775 -1.793 -1.025) 2.206 3.952 ( 1.302 2.438 0.142) 2.768 4.488 ( 5.285 1.326 -13.975) 15.000 4.826 ( -0.920 -3.653 3.656) 5.249 5.438 ( -7.697 -4.423 -2.217) 9.150 ======================= Grid point 235 (73/288) ======================= q-point: ( 0.29 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( 1.033 9.902 7.638) 12.548 0.834 ( 3.017 17.645 -6.743) 19.129 1.317 ( 2.260 -0.013 1.001) 2.472 1.486 ( 3.107 6.020 0.095) 6.775 1.946 ( 12.862 12.475 -0.576) 17.927 2.105 ( 2.786 2.318 1.790) 4.042 3.727 ( 0.500 0.874 0.689) 1.220 3.864 ( 0.407 -1.178 -0.543) 1.359 4.023 ( 3.150 2.848 1.725) 4.583 4.517 ( 2.843 -2.243 -6.603) 7.531 4.713 ( -7.732 -8.035 7.158) 13.251 5.257 ( -6.600 -2.119 -8.632) 11.071 ======================= Grid point 236 (74/288) ======================= q-point: ( 0.36 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( 5.606 6.491 0.294) 8.582 1.012 ( 2.418 12.114 -5.606) 13.565 1.315 ( -0.691 -1.602 -1.858) 2.549 1.634 ( 5.772 8.552 -0.181) 10.319 2.062 ( 2.193 1.052 -2.253) 3.315 2.423 ( 14.460 12.903 1.488) 19.437 3.745 ( 0.657 0.007 0.463) 0.804 3.862 ( -0.002 0.429 -0.387) 0.578 4.106 ( 2.199 1.589 1.578) 3.138 4.444 ( -13.226 -6.652 5.332) 15.735 4.534 ( 1.747 -2.620 -2.166) 3.822 5.121 ( -3.237 -2.992 -8.712) 9.764 ======================= Grid point 237 (75/288) ======================= q-point: ( 0.43 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( 7.260 4.135 -2.207) 8.641 1.129 ( 1.441 7.720 -3.987) 8.808 1.276 ( -0.692 -0.546 -2.305) 2.467 1.842 ( 7.220 8.996 -0.464) 11.544 2.100 ( 1.338 0.351 0.402) 1.440 2.771 ( 11.686 10.243 -0.573) 15.550 3.741 ( -0.199 -2.923 -0.081) 2.930 3.870 ( -0.386 1.837 -0.328) 1.905 4.044 ( -11.686 -1.391 -0.312) 11.773 4.235 ( -3.833 -0.505 2.787) 4.766 4.570 ( 4.095 -0.657 -0.509) 4.178 5.023 ( -1.399 -4.316 -5.124) 6.844 ======================= Grid point 238 (76/288) ======================= q-point: ( 0.50 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( 4.407 1.552 -2.226) 5.176 1.170 ( -0.748 1.166 -1.678) 2.176 1.335 ( 5.837 5.843 -2.546) 8.643 2.002 ( 2.523 0.066 0.869) 2.669 2.127 ( 0.100 6.508 -0.415) 6.522 3.023 ( 7.758 6.196 0.077) 9.929 3.636 ( -5.778 -5.944 -0.951) 8.344 3.863 ( -3.958 2.095 2.525) 5.141 3.901 ( -3.572 5.478 -1.437) 6.695 4.206 ( -0.847 -0.649 -0.173) 1.081 4.650 ( 5.130 0.383 -0.346) 5.155 4.947 ( -1.198 -4.760 -1.846) 5.244 ======================= Grid point 239 (77/288) ======================= q-point: ( 0.57 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( 1.356 0.214 -1.965) 2.397 1.168 ( 0.015 1.021 -0.352) 1.081 1.504 ( 7.267 2.951 -3.518) 8.596 1.934 ( -4.476 -4.630 1.389) 6.588 2.218 ( -1.129 9.197 -1.484) 9.384 3.158 ( 2.843 1.854 1.160) 3.587 3.528 ( -1.381 -0.494 3.098) 3.428 3.839 ( -2.780 2.795 2.249) 4.539 3.911 ( -1.875 4.891 -0.763) 5.293 4.187 ( -0.190 -0.702 -0.813) 1.091 4.749 ( 5.689 0.563 -0.067) 5.717 4.864 ( -2.272 -4.936 -1.362) 5.602 ======================= Grid point 240 (78/288) ======================= q-point: (-0.36 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( 0.983 0.273 -1.161) 1.545 1.179 ( 0.541 0.738 0.905) 1.286 1.539 ( -1.731 -4.974 -2.174) 5.698 1.876 ( 1.865 0.177 -1.574) 2.447 2.227 ( -6.442 6.033 -0.924) 8.875 3.170 ( -2.086 -1.415 2.017) 3.228 3.599 ( 4.844 3.659 6.906) 9.195 3.826 ( -2.573 2.359 1.755) 3.907 3.923 ( -2.345 5.080 0.036) 5.595 4.181 ( 0.218 -0.313 -1.177) 1.237 4.736 ( -4.756 -4.130 -1.357) 6.443 4.880 ( 7.703 -0.612 -0.126) 7.728 ======================= Grid point 241 (79/288) ======================= q-point: (-0.29 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( -1.642 -1.476 0.480) 2.259 1.219 ( 1.998 0.149 1.971) 2.811 1.423 ( -3.919 -3.976 2.364) 6.062 1.929 ( 3.691 -1.209 -3.707) 5.369 2.120 ( -9.815 2.966 -0.679) 10.276 3.064 ( -8.385 -3.884 2.617) 9.604 3.766 ( 5.798 2.493 6.136) 8.803 3.810 ( -1.687 2.778 -0.326) 3.266 3.944 ( -1.335 7.264 1.958) 7.641 4.171 ( -0.800 -0.265 -2.034) 2.202 4.608 ( -3.630 -3.803 -3.292) 6.203 5.020 ( 8.489 -0.628 2.348) 8.830 ======================= Grid point 242 (80/288) ======================= q-point: (-0.21 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( -3.774 -5.942 3.594) 7.904 1.225 ( -2.092 -0.725 2.707) 3.497 1.375 ( -0.853 -0.228 3.357) 3.471 1.857 ( -9.821 -2.359 0.388) 10.108 2.048 ( 1.200 1.006 -2.852) 3.254 2.805 ( -16.639 -5.835 1.483) 17.694 3.781 ( -1.182 -0.996 2.270) 2.747 3.846 ( -0.434 1.511 -1.890) 2.458 4.099 ( 6.226 10.911 2.047) 12.728 4.128 ( -2.551 -0.771 -1.957) 3.307 4.539 ( 0.601 -2.284 -2.723) 3.605 5.170 ( 8.270 -0.755 3.467) 8.999 ======================= Grid point 243 (81/288) ======================= q-point: (-0.14 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( -6.654 -10.851 7.022) 14.537 1.164 ( -6.172 0.833 3.466) 7.128 1.356 ( -2.508 -0.857 0.606) 2.719 1.648 ( -10.915 -1.315 0.853) 11.027 2.084 ( 2.030 0.037 -1.091) 2.305 2.392 ( -23.200 -6.424 -0.547) 24.079 3.753 ( -0.722 -2.044 1.180) 2.468 3.841 ( -0.363 1.250 -1.739) 2.172 4.060 ( -3.589 -0.015 -1.547) 3.908 4.330 ( 7.819 8.814 -1.611) 11.892 4.562 ( 4.195 -1.008 -0.305) 4.325 5.306 ( 7.041 -0.953 2.606) 7.568 ======================= Grid point 244 (82/288) ======================= q-point: (-0.07 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.675 ( -8.911 -13.249 9.642) 18.652 1.028 ( -11.922 -0.316 1.122) 11.979 1.253 ( -8.730 -1.024 0.267) 8.794 1.483 ( -7.042 -0.389 0.320) 7.060 1.915 ( -23.129 -3.877 -0.986) 23.473 2.100 ( 0.069 -0.310 0.084) 0.328 3.726 ( -0.653 -1.449 0.702) 1.737 3.853 ( 0.848 1.047 -1.150) 1.771 3.999 ( -3.092 -0.024 -0.054) 3.093 4.518 ( 6.223 6.032 -6.279) 10.702 4.656 ( 6.514 -0.242 3.592) 7.443 5.405 ( 5.209 -1.585 -0.025) 5.445 ======================= Grid point 248 (83/288) ======================= q-point: ( 0.21 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( -0.000 19.721 -5.991) 20.611 0.865 ( -0.000 9.918 10.637) 14.543 1.197 ( -0.000 11.081 14.222) 18.029 1.387 ( -0.000 4.384 -1.882) 4.771 1.639 ( -0.000 16.412 0.225) 16.414 2.131 ( 0.000 -4.220 1.079) 4.356 3.731 ( -0.000 1.562 0.551) 1.657 3.841 ( 0.000 -1.679 -1.370) 2.167 3.958 ( -0.000 1.876 -0.494) 1.940 4.412 ( 0.000 0.655 -9.607) 9.629 4.798 ( 0.000 -5.802 3.258) 6.654 5.455 ( 0.000 -4.624 -3.515) 5.809 ======================= Grid point 249 (84/288) ======================= q-point: ( 0.29 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( -6.438 11.615 7.258) 15.134 0.964 ( -0.023 14.831 -2.969) 15.126 1.304 ( -0.023 2.602 2.732) 3.773 1.494 ( 4.014 6.896 0.618) 8.003 1.912 ( 7.910 18.884 0.562) 20.482 2.095 ( 0.485 0.017 -0.499) 0.696 3.747 ( -0.382 1.906 1.319) 2.349 3.827 ( 0.991 -1.817 -1.587) 2.608 4.004 ( 2.788 2.281 0.662) 3.663 4.413 ( 2.960 -2.408 -4.917) 6.224 4.721 ( -1.936 -8.912 3.622) 9.813 5.338 ( -6.555 -2.845 -6.260) 9.500 ======================= Grid point 250 (85/288) ======================= q-point: ( 0.36 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( -4.078 9.787 6.782) 12.586 1.092 ( 0.536 11.352 -4.863) 12.361 1.305 ( -0.816 -0.627 -1.447) 1.775 1.644 ( 4.161 9.541 0.102) 10.409 2.037 ( 1.018 1.357 -2.456) 2.985 2.347 ( 11.566 16.932 1.154) 20.538 3.755 ( -0.985 0.863 1.573) 2.047 3.841 ( 2.333 -0.133 -1.587) 2.824 4.087 ( 2.957 2.254 1.755) 4.112 4.426 ( 3.535 -3.657 -2.171) 5.531 4.570 ( -6.120 -8.949 3.032) 11.258 5.161 ( -7.563 -2.563 -7.535) 10.979 ======================= Grid point 251 (86/288) ======================= q-point: ( 0.43 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( -0.183 8.246 3.992) 9.163 1.179 ( 0.217 6.948 -3.099) 7.611 1.272 ( -0.580 -0.475 -2.823) 2.921 1.831 ( 5.332 9.961 -0.040) 11.298 2.078 ( 2.335 1.830 0.607) 3.029 2.696 ( 10.240 13.851 -1.044) 17.257 3.739 ( -1.505 -1.038 0.652) 1.941 3.879 ( 1.464 1.696 -2.110) 3.077 4.127 ( -1.023 -0.232 0.390) 1.120 4.365 ( -8.734 -3.289 1.862) 9.517 4.474 ( 4.888 -2.104 -0.028) 5.322 4.998 ( -4.187 -4.673 -5.747) 8.509 ======================= Grid point 252 (87/288) ======================= q-point: ( 0.50 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( 1.441 6.002 2.297) 6.586 1.191 ( -1.282 -0.126 -0.821) 1.528 1.314 ( 3.024 5.715 -2.152) 6.814 1.971 ( 2.388 1.159 1.263) 2.939 2.179 ( 3.114 9.698 0.257) 10.189 2.963 ( 7.497 8.780 -0.521) 11.557 3.670 ( -4.182 -2.751 -1.553) 5.240 3.907 ( 0.204 2.040 -1.830) 2.748 4.057 ( -5.315 1.309 0.477) 5.495 4.243 ( -4.871 1.102 0.289) 5.002 4.555 ( 5.233 -0.482 -0.078) 5.256 4.892 ( -0.341 -6.243 -2.251) 6.645 ======================= Grid point 253 (88/288) ======================= q-point: ( 0.57 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( -0.164 2.051 -0.561) 2.133 1.179 ( -0.036 1.314 0.362) 1.364 1.433 ( 4.328 3.925 -0.521) 5.866 1.953 ( -2.234 -3.860 1.768) 4.797 2.340 ( 0.492 13.608 -1.410) 13.690 3.126 ( 4.161 3.325 1.306) 5.484 3.568 ( -3.369 -0.440 -0.697) 3.469 3.911 ( -1.607 1.714 0.741) 2.463 4.029 ( -2.730 6.146 0.301) 6.732 4.186 ( -2.406 -0.238 -0.721) 2.523 4.638 ( 5.528 -0.990 -1.704) 5.869 4.832 ( -0.011 -5.731 0.049) 5.732 ======================= Grid point 254 (89/288) ======================= q-point: (-0.36 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( 0.784 0.757 -0.993) 1.474 1.195 ( -0.643 1.645 0.718) 1.906 1.491 ( 0.938 -2.345 -1.724) 3.058 1.877 ( -2.156 -1.616 0.601) 2.761 2.419 ( -5.778 11.123 -1.648) 12.642 3.182 ( 0.300 -0.514 2.119) 2.201 3.585 ( 2.900 3.810 3.422) 5.885 3.899 ( -2.160 1.604 1.626) 3.144 4.056 ( -3.885 9.162 0.747) 9.979 4.155 ( 0.808 -2.144 -1.080) 2.533 4.714 ( 5.343 -4.842 -2.916) 7.778 4.766 ( -0.866 -2.602 0.821) 2.862 ======================= Grid point 255 (90/288) ======================= q-point: (-0.29 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( -0.185 0.463 -0.819) 0.959 1.194 ( 0.270 -0.329 1.975) 2.021 1.431 ( -1.801 -4.085 -0.826) 4.540 1.867 ( 1.343 -0.079 -1.238) 1.828 2.348 ( -11.296 5.710 -0.876) 12.688 3.147 ( -3.791 -2.013 2.114) 4.784 3.730 ( 5.263 5.473 4.320) 8.736 3.879 ( -2.348 1.874 0.725) 3.090 4.072 ( -3.837 7.198 2.148) 8.435 4.164 ( 1.066 0.678 -1.368) 1.862 4.621 ( -3.908 -5.829 -3.028) 7.643 4.849 ( 8.727 -2.561 0.758) 9.127 ======================= Grid point 256 (91/288) ======================= q-point: (-0.21 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( -4.301 -3.505 2.394) 6.043 1.223 ( 1.585 -0.421 0.796) 1.823 1.387 ( -0.304 -0.961 0.754) 1.258 1.892 ( 1.766 -0.553 -1.478) 2.369 2.166 ( -12.276 1.701 -0.250) 12.396 3.008 ( -10.616 -2.689 1.247) 11.022 3.804 ( -1.462 -0.850 2.951) 3.401 3.894 ( -0.905 5.439 -1.926) 5.840 4.106 ( 1.650 1.558 2.290) 3.224 4.190 ( -1.288 7.568 -0.546) 7.696 4.501 ( -1.619 -4.955 -2.957) 5.993 4.992 ( 10.289 -2.964 1.348) 10.792 ======================= Grid point 257 (92/288) ======================= q-point: (-0.14 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( -6.999 -5.672 4.148) 9.917 1.227 ( -1.105 -0.244 0.503) 1.238 1.378 ( -0.710 -0.637 -0.530) 1.091 1.834 ( -9.430 -0.498 0.243) 9.446 2.050 ( -0.225 0.502 -0.645) 0.848 2.725 ( -19.056 -2.344 -0.041) 19.200 3.760 ( -1.841 -1.675 1.065) 2.708 3.885 ( -3.016 2.455 -1.362) 4.120 4.110 ( -1.819 -0.294 -0.006) 1.842 4.315 ( 4.139 9.328 0.058) 10.206 4.464 ( 3.375 -4.216 -1.009) 5.494 5.144 ( 9.682 -2.420 0.070) 9.980 ======================= Grid point 258 (93/288) ======================= q-point: (-0.07 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( -9.825 -4.482 4.397) 11.660 1.162 ( -6.252 -1.939 -1.866) 6.806 1.338 ( -2.443 -0.219 -1.500) 2.875 1.638 ( -10.750 -0.465 0.327) 10.765 2.078 ( 1.324 0.196 -1.372) 1.917 2.330 ( -23.943 0.543 0.487) 23.954 3.729 ( -0.678 -0.534 0.881) 1.233 3.861 ( -1.021 0.939 -0.478) 1.468 4.063 ( -3.543 0.509 0.696) 3.646 4.471 ( 4.883 5.838 -2.427) 7.988 4.519 ( 7.342 -4.163 2.453) 8.789 5.267 ( 7.437 -2.121 -3.196) 8.368 ======================= Grid point 263 (94/288) ======================= q-point: ( 0.29 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( -0.000 3.998 3.218) 5.132 1.062 ( -0.000 13.266 -4.054) 13.871 1.377 ( -0.000 2.549 4.223) 4.932 1.520 ( -0.000 9.481 -0.148) 9.482 2.030 ( -0.000 7.449 -2.859) 7.979 2.114 ( -0.000 14.980 1.829) 15.091 3.761 ( -0.000 0.804 0.103) 0.810 3.813 ( 0.000 0.083 -0.738) 0.742 3.988 ( -0.000 1.212 0.486) 1.306 4.357 ( 0.000 -2.372 -0.726) 2.481 4.648 ( 0.000 -9.961 1.342) 10.051 5.349 ( 0.000 -3.100 -6.292) 7.014 ======================= Grid point 264 (95/288) ======================= q-point: ( 0.36 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( -2.505 4.177 1.602) 5.127 1.172 ( 0.407 8.871 -3.312) 9.478 1.350 ( -3.971 0.784 -0.317) 4.060 1.668 ( 4.117 10.021 0.157) 10.834 2.027 ( 0.435 -0.595 -2.084) 2.210 2.394 ( 5.491 22.319 0.842) 23.000 3.784 ( 1.238 -1.158 -1.615) 2.341 3.802 ( -0.706 2.444 1.472) 2.939 4.047 ( 4.195 1.423 1.291) 4.613 4.343 ( 1.282 -3.376 1.179) 3.799 4.537 ( -1.398 -9.530 -0.563) 9.648 5.242 ( -6.083 -2.953 -6.265) 9.218 ======================= Grid point 265 (96/288) ======================= q-point: ( 0.43 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( -0.866 4.782 1.733) 5.159 1.234 ( -0.663 4.758 -1.229) 4.959 1.289 ( -2.281 1.127 -3.064) 3.983 1.843 ( 4.239 8.716 0.178) 9.694 2.057 ( 3.123 2.010 1.191) 3.900 2.703 ( 6.337 17.757 -1.239) 18.894 3.765 ( -1.382 0.010 -0.527) 1.479 3.846 ( 2.085 0.860 -1.309) 2.608 4.128 ( 1.749 0.855 1.127) 2.250 4.349 ( 3.730 -4.271 1.161) 5.788 4.427 ( -1.602 -4.575 -0.364) 4.862 5.058 ( -8.555 -3.618 -5.279) 10.684 ======================= Grid point 266 (97/288) ======================= q-point: ( 0.50 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( 0.893 5.327 3.291) 6.325 1.209 ( -2.439 -0.786 0.277) 2.578 1.322 ( 1.751 5.379 -2.391) 6.142 1.948 ( 1.868 0.661 1.788) 2.669 2.209 ( 6.101 10.604 1.380) 12.311 2.947 ( 5.157 11.468 -1.318) 12.643 3.720 ( -3.710 -0.122 -2.016) 4.224 3.878 ( 2.606 -0.353 -3.835) 4.650 4.109 ( -2.746 -1.510 0.444) 3.165 4.344 ( -1.589 0.539 -0.137) 1.683 4.460 ( 5.477 -0.063 2.271) 5.929 4.867 ( -5.849 -5.243 -3.298) 8.520 ======================= Grid point 267 (98/288) ======================= q-point: ( 0.57 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( -1.678 -0.623 -0.079) 1.792 1.210 ( -0.183 4.778 2.701) 5.492 1.412 ( 2.898 3.566 0.725) 4.652 1.951 ( -0.665 -2.586 2.270) 3.504 2.443 ( 4.688 14.812 0.371) 15.541 3.099 ( 3.281 4.569 0.190) 5.628 3.632 ( -4.567 0.641 -3.503) 5.791 3.910 ( 2.745 -0.449 -3.997) 4.870 4.054 ( -1.125 -1.921 1.687) 2.794 4.316 ( -5.607 5.328 1.392) 7.859 4.549 ( 3.786 -0.107 -0.674) 3.847 4.757 ( 0.530 -5.904 -0.699) 5.968 ======================= Grid point 268 (99/288) ======================= q-point: ( 0.64 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( -0.536 0.099 -0.124) 0.559 1.244 ( -1.526 3.701 1.773) 4.379 1.461 ( 0.474 -1.207 0.401) 1.358 1.904 ( -2.243 -1.721 1.184) 3.065 2.623 ( -2.512 14.539 -0.703) 14.771 3.161 ( 1.880 -0.961 1.637) 2.672 3.600 ( 0.185 3.718 -0.410) 3.745 3.927 ( 0.650 -0.107 -2.755) 2.832 4.054 ( 3.244 -3.198 1.248) 4.723 4.271 ( -6.920 7.461 2.263) 10.424 4.586 ( 2.960 -2.723 -2.723) 4.857 4.736 ( 1.522 -3.720 0.376) 4.037 ======================= Grid point 269 (100/288) ======================= q-point: (-0.29 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( 0.930 0.477 -0.224) 1.070 1.238 ( -3.205 1.515 1.812) 3.981 1.417 ( -1.456 -3.410 -0.736) 3.780 1.867 ( -1.124 -0.087 0.400) 1.196 2.611 ( -11.195 7.916 -0.798) 13.735 3.169 ( -0.007 -1.809 1.644) 2.445 3.711 ( 5.051 6.538 2.360) 8.592 3.918 ( -0.690 0.327 -2.310) 2.433 4.080 ( 3.168 -4.553 0.057) 5.547 4.265 ( -4.259 9.649 3.287) 11.047 4.568 ( 0.986 -6.894 -3.114) 7.629 4.735 ( 2.071 -1.415 0.121) 2.511 ======================= Grid point 270 (101/288) ======================= q-point: (-0.21 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( -3.824 -0.573 0.947) 3.981 1.188 ( 0.981 -0.852 0.726) 1.488 1.380 ( -0.153 -0.766 -0.037) 0.782 1.864 ( 0.663 0.233 0.322) 0.773 2.425 ( -14.634 2.121 -0.000) 14.787 3.122 ( -4.482 -1.274 0.641) 4.703 3.825 ( -0.003 0.344 1.221) 1.269 3.937 ( 1.915 5.938 -2.740) 6.815 4.071 ( 1.436 -4.183 0.169) 4.426 4.320 ( -2.595 9.556 2.974) 10.339 4.469 ( -2.109 -7.347 -2.392) 8.009 4.801 ( 7.555 -1.914 -0.105) 7.794 ======================= Grid point 271 (102/288) ======================= q-point: (-0.14 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( -6.271 -1.782 1.668) 6.729 1.218 ( 1.595 -0.221 -0.342) 1.646 1.374 ( -0.328 -0.480 -0.975) 1.135 1.894 ( 1.152 0.855 1.170) 1.851 2.184 ( -13.163 0.046 0.335) 13.167 2.977 ( -11.420 -0.570 -0.516) 11.446 3.782 ( -2.206 -1.638 -1.389) 3.079 3.963 ( -3.369 1.213 -1.472) 3.872 4.094 ( 3.236 -0.552 0.323) 3.299 4.352 ( 0.067 -3.535 -0.186) 3.540 4.399 ( -0.857 4.669 1.253) 4.909 4.945 ( 10.198 -0.979 -1.385) 10.338 ======================= Grid point 272 (103/288) ======================= q-point: (-0.07 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( -8.009 0.653 0.290) 8.041 1.214 ( -2.130 -1.127 -0.994) 2.607 1.345 ( -0.756 -1.027 -3.655) 3.871 1.832 ( -10.540 0.164 -0.027) 10.542 2.065 ( -0.453 0.944 0.772) 1.300 2.716 ( -18.353 1.728 -0.910) 18.457 3.740 ( -0.694 -0.219 -0.764) 1.055 3.900 ( -2.906 -0.731 -0.011) 2.997 4.117 ( -0.823 0.458 0.574) 1.103 4.331 ( 5.562 -8.733 1.540) 10.468 4.474 ( 1.684 5.854 0.129) 6.093 5.100 ( 8.722 -0.212 -4.367) 9.756 ======================= Grid point 278 (104/288) ======================= q-point: ( 0.36 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( 0.000 0.726 -1.153) 1.363 1.243 ( -0.000 7.194 -2.967) 7.782 1.381 ( 0.000 -2.131 -3.424) 4.033 1.732 ( -0.000 10.847 -0.163) 10.848 1.998 ( 0.000 -2.258 -0.796) 2.394 2.589 ( -0.000 23.350 0.477) 23.355 3.761 ( 0.000 -0.272 -0.026) 0.274 3.840 ( -0.000 2.317 -0.130) 2.321 4.016 ( -0.000 0.637 2.483) 2.563 4.311 ( 0.000 -3.197 2.956) 4.354 4.451 ( 0.000 -7.900 -3.101) 8.487 5.245 ( 0.000 -3.695 -5.497) 6.624 ======================= Grid point 279 (105/288) ======================= q-point: ( 0.43 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( 0.559 0.720 -1.602) 1.843 1.289 ( -0.697 3.707 -0.806) 3.857 1.318 ( -1.500 -1.465 -5.834) 6.199 1.865 ( 2.636 8.203 -0.062) 8.616 2.005 ( 3.728 -0.575 1.299) 3.990 2.824 ( 1.622 19.464 -0.744) 19.546 3.765 ( 0.496 0.144 -0.802) 0.954 3.854 ( -0.990 1.895 0.320) 2.162 4.075 ( 4.597 0.117 1.889) 4.972 4.278 ( -0.274 -4.364 0.167) 4.376 4.388 ( 0.688 -2.830 -0.948) 3.063 5.137 ( -5.723 -4.300 -4.385) 8.395 ======================= Grid point 280 (106/288) ======================= q-point: ( 0.50 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( 2.690 1.014 0.068) 2.876 1.253 ( -1.482 -0.809 -0.196) 1.700 1.337 ( 1.119 3.766 -2.536) 4.676 1.932 ( 0.967 -0.099 2.413) 2.602 2.167 ( 9.341 7.427 0.247) 11.936 3.014 ( 1.392 13.413 -1.020) 13.524 3.770 ( -1.275 1.525 -2.106) 2.896 3.837 ( -0.884 -0.598 -1.734) 2.036 4.135 ( -0.334 -0.605 0.588) 0.908 4.257 ( 5.543 -3.566 -2.360) 7.001 4.419 ( 2.333 1.860 2.764) 4.067 4.952 ( -8.610 -4.441 -2.748) 10.070 ======================= Grid point 281 (107/288) ======================= q-point: ( 0.57 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( 0.258 -1.237 -0.031) 1.263 1.263 ( 0.842 3.173 1.547) 3.629 1.399 ( 2.409 2.428 0.863) 3.528 1.940 ( 0.289 -1.881 2.518) 3.156 2.439 ( 11.073 10.382 0.472) 15.186 3.127 ( -0.087 6.881 -0.399) 6.893 3.711 ( -4.795 1.411 -5.423) 7.375 3.832 ( 1.800 -1.575 -1.670) 2.917 4.083 ( -2.952 -1.313 0.852) 3.342 4.360 ( 6.334 0.680 -0.900) 6.434 4.491 ( 2.569 1.492 1.989) 3.575 4.761 ( -7.030 -3.636 -1.112) 7.992 ======================= Grid point 282 (108/288) ======================= q-point: ( 0.64 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( -0.448 -0.648 -0.058) 0.790 1.311 ( -0.311 3.719 1.312) 3.956 1.443 ( 0.654 -1.295 1.592) 2.154 1.922 ( -1.038 -1.363 1.274) 2.135 2.736 ( 8.017 12.785 1.016) 15.125 3.141 ( -1.946 -0.451 -0.037) 1.998 3.646 ( -2.180 2.926 -3.683) 5.184 3.843 ( 2.901 -3.346 -2.471) 5.072 4.033 ( -1.707 -1.169 1.974) 2.860 4.434 ( -1.602 4.581 1.762) 5.163 4.534 ( 1.207 -0.986 -1.350) 2.062 4.663 ( 0.525 -2.839 -0.215) 2.895 ======================= Grid point 283 (109/288) ======================= q-point: (-0.29 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( 0.123 -0.063 0.003) 0.138 1.326 ( -3.014 2.901 1.593) 4.476 1.405 ( -1.190 -3.582 -0.157) 3.778 1.892 ( -1.541 -0.376 0.513) 1.667 2.877 ( -8.654 9.579 0.174) 12.910 3.107 ( 4.121 -4.539 0.528) 6.154 3.702 ( 3.655 5.854 0.558) 6.924 3.854 ( 4.079 -3.728 -4.546) 7.156 4.011 ( -0.075 -1.950 2.562) 3.220 4.436 ( -4.076 6.394 3.504) 8.353 4.498 ( -1.021 -4.299 -2.893) 5.281 4.687 ( 2.798 -1.207 -0.492) 3.087 ======================= Grid point 284 (110/288) ======================= q-point: (-0.21 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( 1.167 0.009 -0.072) 1.169 1.253 ( -5.418 -1.309 0.864) 5.641 1.383 ( -0.278 0.673 0.741) 1.038 1.870 ( -0.743 -0.063 0.702) 1.024 2.698 ( -14.526 0.297 0.479) 14.537 3.144 ( 0.884 -0.749 -0.065) 1.160 3.792 ( 2.716 -3.151 -1.295) 4.357 3.931 ( 5.028 6.845 -3.574) 9.215 3.999 ( 0.894 -3.699 2.030) 4.314 4.403 ( -1.764 -7.651 -2.085) 8.124 4.467 ( -1.794 7.522 3.865) 8.646 4.715 ( 2.032 -0.097 -0.967) 2.252 ======================= Grid point 285 (111/288) ======================= q-point: (-0.14 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( -5.344 -0.393 0.393) 5.373 1.180 ( 1.993 -0.165 -0.355) 2.031 1.388 ( -1.089 1.149 0.738) 1.747 1.881 ( 1.492 0.624 1.950) 2.534 2.430 ( -14.887 -1.863 0.433) 15.010 3.108 ( -4.495 0.056 -0.712) 4.552 3.767 ( 0.643 -4.238 -4.595) 6.284 3.972 ( 0.257 -4.851 0.725) 4.911 4.052 ( 1.685 4.786 -1.689) 5.348 4.287 ( -1.008 -8.508 -0.197) 8.570 4.520 ( -2.793 7.266 2.522) 8.183 4.790 ( 6.924 1.474 -1.160) 7.174 ======================= Grid point 286 (112/288) ======================= q-point: (-0.07 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( -5.916 2.271 -1.139) 6.439 1.207 ( 1.362 -0.537 -0.906) 1.722 1.357 ( -2.998 -0.033 -2.185) 3.710 1.934 ( 0.700 1.729 2.480) 3.103 2.173 ( -11.515 -1.434 0.370) 11.610 2.982 ( -10.668 1.696 -1.382) 10.890 3.728 ( 0.867 -1.805 -4.236) 4.685 3.919 ( -1.084 -3.999 0.538) 4.178 4.067 ( 1.547 -4.821 -1.455) 5.268 4.221 ( 0.303 -4.386 1.856) 4.772 4.542 ( -2.205 5.747 1.453) 6.324 4.947 ( 8.407 2.226 -3.100) 9.233 ======================= Grid point 293 (113/288) ======================= q-point: ( 0.43 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( 0.000 -0.016 -1.950) 1.950 1.266 ( 0.000 -5.291 -7.284) 9.003 1.324 ( -0.000 2.849 -2.158) 3.574 1.929 ( -0.000 8.784 -0.881) 8.828 1.951 ( 0.000 -3.180 3.061) 4.414 2.994 ( -0.000 16.432 -1.121) 16.470 3.759 ( 0.000 0.127 -0.148) 0.195 3.890 ( -0.000 2.327 0.278) 2.344 4.034 ( -0.000 -0.403 1.061) 1.135 4.243 ( 0.000 -3.221 -2.528) 4.094 4.368 ( -0.000 0.886 1.804) 2.010 5.125 ( 0.000 -5.602 -3.464) 6.586 ======================= Grid point 294 (114/288) ======================= q-point: ( 0.50 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( 1.792 0.260 -0.792) 1.977 1.212 ( 2.090 -4.145 -4.702) 6.608 1.343 ( 0.571 1.783 -1.393) 2.334 1.925 ( -0.055 -1.923 3.060) 3.614 2.075 ( 7.249 5.942 -0.737) 9.402 3.130 ( -0.029 11.153 -1.189) 11.216 3.777 ( 1.291 1.150 -0.244) 1.746 3.881 ( -3.109 1.291 -1.062) 3.530 4.069 ( 4.503 -0.539 -1.272) 4.710 4.195 ( -1.343 -2.327 -2.578) 3.724 4.421 ( 1.608 4.215 3.453) 5.681 5.012 ( -4.733 -6.105 -2.169) 8.023 ======================= Grid point 295 (115/288) ======================= q-point: ( 0.57 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( 1.786 -0.589 0.286) 1.902 1.233 ( 4.219 -0.329 -1.360) 4.445 1.380 ( 2.079 1.174 0.564) 2.453 1.920 ( 0.634 -1.969 2.250) 3.056 2.299 ( 12.319 5.253 -0.547) 13.404 3.208 ( -0.775 6.238 -0.691) 6.324 3.786 ( -3.303 1.884 -5.682) 6.837 3.831 ( -1.797 0.736 1.963) 2.761 4.120 ( -1.780 -0.994 0.474) 2.093 4.193 ( 8.414 -1.188 -2.928) 8.988 4.499 ( 0.855 3.858 2.379) 4.613 4.850 ( -6.576 -4.545 -0.548) 8.012 ======================= Grid point 296 (116/288) ======================= q-point: ( 0.64 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( 0.240 -0.582 -0.052) 0.631 1.311 ( 3.542 1.267 -0.771) 3.840 1.422 ( 1.193 -0.879 1.804) 2.335 1.917 ( 0.343 -1.309 0.673) 1.511 2.595 ( 15.649 4.263 0.310) 16.222 3.215 ( -3.485 2.145 -0.432) 4.115 3.709 ( -3.859 2.268 -5.109) 6.793 3.816 ( -1.808 -0.400 2.097) 2.797 4.068 ( -2.624 -0.664 0.818) 2.827 4.355 ( 10.253 0.051 -1.520) 10.365 4.527 ( -0.882 0.826 0.543) 1.325 4.712 ( -5.573 -1.276 0.669) 5.756 ======================= Grid point 297 (117/288) ======================= q-point: (-0.29 -0.57 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( -0.123 0.020 0.004) 0.124 1.366 ( 1.940 -0.071 -0.775) 2.090 1.398 ( -2.184 -1.709 0.215) 2.781 1.906 ( -0.547 -0.656 -0.312) 0.909 2.885 ( 13.956 -1.211 -0.225) 14.010 3.117 ( -8.479 0.540 -0.131) 8.497 3.711 ( 0.736 4.104 0.946) 4.276 3.782 ( -0.312 -0.652 -0.664) 0.981 4.025 ( -1.927 -0.789 1.092) 2.352 4.487 ( -1.287 -2.820 -1.572) 3.476 4.503 ( 3.419 1.969 -0.605) 3.992 4.647 ( -1.107 0.531 1.455) 1.904 ======================= Grid point 298 (118/288) ======================= q-point: (-0.21 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( 0.109 0.101 -0.002) 0.148 1.303 ( -3.054 -4.083 -0.706) 5.148 1.407 ( 0.142 2.572 0.021) 2.576 1.885 ( -1.045 -0.420 -0.179) 1.141 2.876 ( -7.003 -9.659 0.003) 11.930 3.099 ( 2.862 3.690 -0.291) 4.680 3.704 ( 0.066 -4.786 0.447) 4.807 3.899 ( 6.391 8.781 -0.320) 10.865 3.988 ( -1.384 -1.679 0.903) 2.356 4.376 ( -4.154 -6.177 -2.213) 7.766 4.556 ( 0.028 3.595 2.314) 4.275 4.683 ( 2.229 1.204 -0.592) 2.601 ======================= Grid point 299 (119/288) ======================= q-point: (-0.14 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( 0.913 -0.070 -0.155) 0.929 1.218 ( -3.022 -1.816 -0.202) 3.532 1.434 ( -0.615 3.162 1.084) 3.399 1.871 ( 0.158 -0.314 0.786) 0.861 2.625 ( -11.271 -7.446 0.554) 13.520 3.145 ( -0.019 0.942 -0.658) 1.149 3.660 ( 1.807 -6.179 -2.974) 7.091 3.943 ( -1.391 -3.131 0.692) 3.495 4.073 ( 2.971 6.679 -0.988) 7.376 4.227 ( -2.919 -8.794 -0.309) 9.271 4.619 ( 0.406 6.001 1.586) 6.220 4.725 ( 2.367 1.539 -0.478) 2.864 ======================= Grid point 300 (120/288) ======================= q-point: (-0.07 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( -2.453 0.727 -1.800) 3.129 1.174 ( 0.753 -0.354 0.247) 0.868 1.437 ( -3.910 3.708 0.009) 5.389 1.907 ( 3.584 0.342 2.729) 4.518 2.356 ( -11.872 -5.480 -0.159) 13.077 3.119 ( -4.104 1.474 -0.644) 4.407 3.629 ( 3.269 -5.459 -5.235) 8.240 3.886 ( -1.048 -4.191 1.301) 4.511 4.042 ( -4.113 -5.692 -1.259) 7.134 4.186 ( 1.689 -0.548 0.711) 1.913 4.652 ( -3.109 5.402 0.309) 6.241 4.836 ( 6.887 2.885 -0.506) 7.484 ======================= Grid point 308 (121/288) ======================= q-point: ( 0.50 0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 0.000 0.149 -0.785) 0.799 1.121 ( 0.000 -4.184 -4.363) 6.045 1.346 ( -0.000 0.508 -0.318) 0.599 1.909 ( 0.000 -2.811 2.894) 4.035 2.065 ( -0.000 5.055 -0.595) 5.090 3.216 ( -0.000 6.757 -1.445) 6.910 3.764 ( -0.000 0.299 -0.028) 0.301 3.929 ( -0.000 1.326 -0.000) 1.326 4.025 ( 0.000 1.667 -5.613) 5.855 4.181 ( 0.000 -2.094 -1.020) 2.329 4.478 ( -0.000 6.844 4.656) 8.278 4.977 ( 0.000 -7.337 -1.598) 7.509 ======================= Grid point 309 (122/288) ======================= q-point: ( 0.57 0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( 1.847 -0.294 0.104) 1.873 1.130 ( 4.940 -0.651 -1.222) 5.130 1.360 ( 1.221 0.284 0.975) 1.588 1.895 ( 0.457 -1.985 1.551) 2.560 2.164 ( 6.986 2.766 -0.097) 7.514 3.260 ( -0.174 3.141 -1.243) 3.382 3.794 ( 2.107 0.624 -1.068) 2.443 3.900 ( -3.499 1.216 -0.886) 3.808 4.059 ( 3.683 1.593 -5.030) 6.434 4.149 ( -1.191 -1.513 -0.017) 1.926 4.555 ( -0.629 5.068 4.307) 6.681 4.878 ( -2.884 -5.336 -0.777) 6.115 ======================= Grid point 310 (123/288) ======================= q-point: (-0.36 -0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 1.446 -0.073 -0.181) 1.459 1.229 ( 5.420 0.508 -0.800) 5.502 1.394 ( 1.722 -0.452 1.932) 2.627 1.894 ( 0.818 -1.100 -0.150) 1.379 2.359 ( 13.103 0.446 0.738) 13.131 3.263 ( -1.108 0.135 -1.037) 1.524 3.780 ( -3.028 1.411 -5.576) 6.500 3.869 ( -2.223 0.371 3.713) 4.343 4.110 ( -2.140 -0.186 0.620) 2.236 4.172 ( 9.175 0.955 -2.905) 9.671 4.566 ( -1.950 -0.316 2.799) 3.426 4.787 ( -4.231 -0.137 -0.149) 4.236 ======================= Grid point 311 (124/288) ======================= q-point: (-0.29 -0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( 0.298 0.672 0.035) 0.736 1.300 ( 3.390 -1.754 -1.867) 4.249 1.403 ( 0.033 -1.017 -0.051) 1.019 1.897 ( 0.541 -0.419 -1.366) 1.528 2.595 ( 14.573 -4.579 0.252) 15.277 3.210 ( -3.278 -2.016 -0.923) 3.957 3.762 ( -0.164 5.042 -0.929) 5.130 3.822 ( -3.821 -1.290 3.753) 5.509 4.066 ( -2.934 -0.115 0.624) 3.002 4.356 ( 10.253 1.077 -1.716) 10.451 4.518 ( -2.436 -2.097 -0.021) 3.215 4.716 ( -4.678 1.356 0.941) 4.961 ======================= Grid point 312 (125/288) ======================= q-point: (-0.21 -0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( -0.512 0.805 0.123) 0.962 1.280 ( -0.313 -5.094 -1.792) 5.409 1.409 ( 1.265 0.872 -1.810) 2.374 1.893 ( -0.305 0.140 -1.593) 1.628 2.714 ( 7.961 -12.453 -1.145) 14.825 3.142 ( -2.018 0.028 0.112) 2.022 3.732 ( -5.166 -2.228 4.750) 7.363 3.885 ( 5.148 7.672 1.736) 9.401 4.012 ( -2.776 -0.832 -0.112) 2.901 4.399 ( -4.676 -4.784 -1.406) 6.835 4.529 ( 5.603 1.720 -2.124) 6.234 4.684 ( -0.837 2.197 1.870) 3.004 ======================= Grid point 313 (126/288) ======================= q-point: (-0.14 -0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( -0.380 0.422 0.349) 0.667 1.220 ( -0.568 -3.488 -0.677) 3.598 1.445 ( 2.268 1.260 -1.137) 2.833 1.880 ( -1.054 0.658 -1.166) 1.704 2.628 ( -1.127 -13.672 -0.159) 13.719 3.143 ( 0.932 0.464 -0.165) 1.054 3.633 ( -4.310 -2.859 2.717) 5.842 3.948 ( -2.313 -2.524 -0.310) 3.437 4.060 ( 5.157 5.215 1.596) 7.506 4.233 ( -6.465 -6.262 -1.384) 9.107 4.624 ( 4.199 2.612 0.578) 4.979 4.724 ( 0.675 3.409 -0.333) 3.491 ======================= Grid point 314 (127/288) ======================= q-point: (-0.07 0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( 0.190 0.328 -0.000) 0.379 1.187 ( -0.695 -1.204 -0.000) 1.390 1.508 ( 1.969 3.410 -0.000) 3.938 1.870 ( 0.151 0.261 -0.000) 0.301 2.436 ( -6.136 -10.629 -0.000) 12.273 3.161 ( 0.275 0.476 -0.000) 0.550 3.551 ( -1.832 -3.173 -0.000) 3.664 3.879 ( -1.936 -3.353 -0.000) 3.872 4.052 ( -4.524 -7.837 -0.000) 9.049 4.166 ( 1.404 2.432 -0.000) 2.808 4.747 ( 3.374 5.844 -0.000) 6.748 4.753 ( 0.885 1.532 0.000) 1.769 ======================= Grid point 324 (128/288) ======================= q-point: (-0.43 -0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( -0.000 0.486 0.940) 1.058 1.088 ( -0.000 2.169 1.696) 2.753 1.355 ( -0.000 0.218 1.850) 1.863 1.877 ( 0.000 -1.299 0.442) 1.372 2.119 ( -0.000 0.358 0.380) 0.522 3.274 ( 0.000 0.488 -1.328) 1.415 3.769 ( -0.000 0.080 0.395) 0.403 3.938 ( 0.000 -0.134 -0.829) 0.840 4.032 ( 0.000 2.994 -8.720) 9.220 4.146 ( 0.000 -1.115 0.718) 1.327 4.608 ( -0.000 -1.188 5.744) 5.866 4.869 ( -0.000 0.822 -0.695) 1.076 ======================= Grid point 325 (129/288) ======================= q-point: (-0.36 -0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( 1.131 0.707 0.762) 1.536 1.171 ( 3.260 3.428 1.956) 5.119 1.375 ( 0.966 0.062 2.873) 3.032 1.873 ( 0.457 -0.302 -0.822) 0.987 2.176 ( 7.212 -2.051 1.091) 7.577 3.260 ( -0.323 -2.388 -1.253) 2.717 3.787 ( 0.981 -0.237 -1.569) 1.865 3.911 ( -1.697 -0.191 0.273) 1.729 4.061 ( 3.832 1.906 -6.049) 7.410 4.137 ( -0.717 0.342 0.113) 0.803 4.568 ( -0.714 -6.791 5.219) 8.594 4.885 ( -3.357 6.477 -0.012) 7.296 ======================= Grid point 326 (130/288) ======================= q-point: (-0.29 -0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( 1.657 0.719 0.397) 1.849 1.238 ( 1.430 0.681 -0.808) 1.778 1.391 ( 0.222 -0.898 1.461) 1.729 1.880 ( 0.626 0.465 -1.795) 1.957 2.316 ( 11.654 -5.459 1.149) 12.920 3.203 ( -0.987 -5.571 -1.211) 5.786 3.791 ( 0.659 2.169 -1.499) 2.718 3.875 ( -2.438 -1.740 2.675) 4.016 4.118 ( -2.172 0.550 0.280) 2.258 4.191 ( 9.359 2.588 -3.164) 10.213 4.508 ( -0.442 -5.799 3.384) 6.728 4.858 ( -6.955 5.922 0.221) 9.137 ======================= Grid point 327 (131/288) ======================= q-point: (-0.21 -0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( 0.698 0.859 0.149) 1.117 1.221 ( -0.625 -3.939 -2.521) 4.718 1.386 ( 0.570 -0.762 -0.566) 1.108 1.891 ( 0.436 1.171 -2.324) 2.639 2.430 ( 9.929 -11.040 -0.436) 14.855 3.130 ( 0.127 -5.741 -0.146) 5.744 3.803 ( -3.263 -2.810 3.551) 5.581 3.879 ( 3.751 4.911 3.053) 6.893 4.071 ( -3.850 0.606 -0.246) 3.905 4.367 ( 6.925 0.423 -0.901) 6.997 4.452 ( -0.041 -3.355 -1.184) 3.558 4.786 ( -6.526 5.014 1.304) 8.333 ======================= Grid point 328 (132/288) ======================= q-point: (-0.14 -0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( 0.321 -4.543 -1.061) 4.677 1.178 ( -0.237 0.632 -0.083) 0.680 1.396 ( 2.034 -1.265 -0.901) 2.559 1.902 ( -0.241 2.189 -2.592) 3.401 2.434 ( 5.701 -14.073 -0.518) 15.192 3.102 ( 2.242 -4.170 0.519) 4.764 3.720 ( -4.910 -1.882 5.200) 7.395 3.970 ( -1.643 -1.938 1.394) 2.898 4.039 ( 1.566 3.896 0.715) 4.259 4.291 ( -6.358 -4.637 -0.931) 7.924 4.540 ( 6.786 0.550 -1.679) 7.013 4.778 ( -1.616 6.436 1.350) 6.771 ======================= Grid point 339 (133/288) ======================= q-point: (-0.36 -0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( -0.000 0.480 1.906) 1.966 1.203 ( -0.000 6.161 2.809) 6.771 1.382 ( -0.000 0.476 4.343) 4.369 1.870 ( -0.000 1.153 -1.120) 1.607 2.080 ( 0.000 -4.759 0.963) 4.855 3.218 ( 0.000 -5.923 -1.276) 6.059 3.770 ( -0.000 -0.329 0.520) 0.615 3.917 ( 0.000 -1.244 -1.176) 1.712 4.022 ( 0.000 1.158 -6.958) 7.054 4.149 ( 0.000 1.384 -1.603) 2.118 4.512 ( 0.000 -7.863 6.380) 10.126 5.000 ( -0.000 8.697 0.745) 8.729 ======================= Grid point 340 (134/288) ======================= q-point: (-0.29 -0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( 0.673 0.193 1.545) 1.696 1.258 ( -0.691 3.364 0.032) 3.435 1.396 ( -0.617 -0.235 3.739) 3.797 1.882 ( -0.294 1.854 -1.086) 2.169 2.093 ( 7.335 -6.628 1.093) 9.946 3.129 ( -0.147 -10.331 -1.252) 10.408 3.780 ( 1.315 0.169 0.267) 1.352 3.889 ( -1.083 -1.976 -0.447) 2.297 4.063 ( 5.631 1.266 -2.972) 6.492 4.155 ( -0.438 2.311 -3.512) 4.227 4.466 ( -0.103 -5.026 6.024) 7.846 5.042 ( -5.114 7.817 0.840) 9.380 ======================= Grid point 341 (135/288) ======================= q-point: (-0.21 -0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( 0.675 -2.294 -0.627) 2.472 1.241 ( -2.549 0.303 -1.100) 2.793 1.379 ( -0.863 -1.232 1.560) 2.167 1.892 ( 0.238 1.318 -1.422) 1.953 2.164 ( 8.438 -9.163 -0.019) 12.457 3.023 ( 1.883 -11.985 -0.194) 12.134 3.812 ( -0.268 -1.834 1.898) 2.653 3.864 ( 2.341 0.541 1.104) 2.644 4.127 ( -1.075 0.129 -0.237) 1.108 4.231 ( 8.242 3.912 -3.960) 9.945 4.435 ( -1.249 -2.639 3.558) 4.603 4.992 ( -8.678 6.661 1.267) 11.013 ======================= Grid point 342 (136/288) ======================= q-point: (-0.14 -0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( 0.384 -6.583 -2.935) 7.218 1.214 ( -1.301 1.290 0.500) 1.899 1.362 ( 0.103 -1.892 1.709) 2.552 1.909 ( 0.916 1.221 -1.941) 2.470 2.188 ( 6.570 -11.262 -0.708) 13.058 2.970 ( 4.961 -10.636 0.962) 11.776 3.764 ( -1.786 -2.532 2.295) 3.856 3.943 ( 3.093 -1.133 2.718) 4.270 4.098 ( -2.510 2.219 -0.547) 3.395 4.349 ( -3.888 -1.686 0.349) 4.252 4.415 ( 6.443 1.504 -2.166) 6.962 4.926 ( -6.345 7.379 2.528) 10.055 ======================= Grid point 354 (137/288) ======================= q-point: (-0.29 -0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( -0.000 -0.349 1.343) 1.387 1.293 ( -0.000 1.334 -1.240) 1.822 1.420 ( -0.000 -0.024 3.732) 3.732 1.927 ( -0.000 4.550 1.097) 4.680 1.941 ( 0.000 -9.337 0.325) 9.343 2.993 ( 0.000 -16.005 -1.336) 16.060 3.765 ( -0.000 -0.268 0.435) 0.511 3.879 ( 0.000 -1.795 -0.754) 1.947 4.008 ( 0.000 0.573 -2.137) 2.212 4.171 ( 0.000 3.086 -4.948) 5.831 4.457 ( -0.000 -1.306 6.541) 6.670 5.170 ( -0.000 7.457 0.975) 7.521 ======================= Grid point 355 (138/288) ======================= q-point: (-0.21 -0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( -0.833 -2.434 -0.625) 2.647 1.270 ( -1.528 -1.629 -1.943) 2.961 1.399 ( -1.953 -1.352 1.488) 2.803 1.862 ( 1.927 -7.703 -0.201) 7.943 2.004 ( 2.817 1.177 1.317) 3.325 2.826 ( 2.438 -18.986 -0.566) 19.150 3.795 ( 2.890 0.392 1.899) 3.480 3.832 ( -1.819 -2.689 -1.606) 3.622 4.069 ( 5.203 -0.544 1.238) 5.376 4.199 ( 1.101 5.559 -5.445) 7.859 4.468 ( -1.289 1.431 4.797) 5.169 5.193 ( -5.649 6.462 1.093) 8.652 ======================= Grid point 356 (139/288) ======================= q-point: (-0.14 -0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( -2.523 -8.072 -4.733) 9.691 1.232 ( -0.316 -1.309 -0.461) 1.423 1.362 ( -1.029 -1.789 2.838) 3.509 1.837 ( 4.137 -8.248 -0.387) 9.235 2.046 ( 1.514 -0.291 0.135) 1.547 2.722 ( 7.165 -17.941 0.629) 19.329 3.768 ( -1.512 -2.297 -0.484) 2.793 3.871 ( 4.156 -0.934 1.461) 4.503 4.112 ( 1.327 -1.549 -0.436) 2.086 4.320 ( 5.524 6.796 -1.130) 8.831 4.452 ( -4.418 2.220 1.534) 5.176 5.133 ( -7.919 6.238 2.228) 10.324 ======================= Grid point 369 (140/288) ======================= q-point: (-0.21 -0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( 0.000 -3.010 -1.273) 3.268 1.241 ( 0.000 -5.104 -2.884) 5.863 1.401 ( 0.000 -2.432 -1.448) 2.830 1.726 ( 0.000 -11.314 -0.803) 11.343 2.036 ( -0.000 4.034 2.904) 4.971 2.579 ( 0.000 -23.682 -0.524) 23.688 3.768 ( -0.000 0.155 0.573) 0.593 3.839 ( 0.000 -1.692 -0.188) 1.703 4.014 ( -0.000 -0.543 2.388) 2.449 4.232 ( -0.000 6.545 -4.511) 7.948 4.522 ( -0.000 3.909 3.573) 5.296 5.308 ( -0.000 5.740 0.622) 5.773 ======================= Grid point 370 (141/288) ======================= q-point: (-0.14 -0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( -5.723 -9.241 -6.645) 12.740 1.188 ( 1.639 -5.154 -1.576) 5.633 1.358 ( -0.433 -3.331 0.253) 3.369 1.656 ( 4.235 -10.168 -0.947) 11.055 2.069 ( -0.765 2.185 2.033) 3.081 2.388 ( 6.227 -23.692 0.192) 24.498 3.767 ( -1.048 -2.063 -1.734) 2.891 3.823 ( 1.176 0.688 2.128) 2.527 4.047 ( 2.949 -2.269 1.047) 3.865 4.324 ( 3.052 8.472 -0.159) 9.006 4.556 ( -2.462 4.909 0.950) 5.574 5.314 ( -5.246 5.041 0.839) 7.324 ======================= Grid point 384 (142/288) ======================= q-point: (-0.14 -0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( 0.000 -9.191 -6.507) 11.261 1.052 ( 0.000 -10.541 -7.176) 12.751 1.306 ( 0.000 -6.746 -0.634) 6.775 1.519 ( 0.000 -8.000 -0.200) 8.002 2.073 ( 0.000 -20.156 2.398) 20.298 2.106 ( 0.000 -4.061 -0.138) 4.064 3.758 ( 0.000 -1.503 -0.498) 1.583 3.832 ( -0.000 0.844 1.317) 1.565 4.001 ( 0.000 -1.963 1.524) 2.485 4.387 ( -0.000 9.066 3.121) 9.588 4.632 ( -0.000 5.700 -0.763) 5.751 5.408 ( -0.000 4.256 -0.626) 4.302 ======================= Grid point 431 (143/288) ======================= q-point: ( 0.14 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.373 ( -0.000 -0.000 19.087) 19.087 0.373 ( -0.000 -0.000 19.087) 19.087 0.594 ( -0.000 -0.000 31.233) 31.233 1.331 ( 0.000 0.000 -1.902) 1.902 1.331 ( 0.000 0.000 -1.902) 1.902 2.809 ( 0.000 0.000 -9.133) 9.133 3.691 ( -0.000 -0.000 0.900) 0.900 3.691 ( -0.000 -0.000 0.900) 0.900 3.901 ( 0.000 0.000 -1.095) 1.095 3.901 ( 0.000 0.000 -1.095) 1.095 4.818 ( -0.000 -0.000 1.757) 1.757 5.744 ( 0.000 0.000 -0.328) 0.328 ======================= Grid point 432 (144/288) ======================= q-point: ( 0.21 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.351 ( 2.415 1.394 14.442) 14.708 0.401 ( -0.866 -0.500 19.169) 19.195 1.028 ( 17.948 10.362 18.592) 27.842 1.348 ( 1.675 0.967 -1.600) 2.511 1.407 ( 7.241 4.180 -2.648) 8.770 2.316 ( -16.245 -9.379 7.790) 20.312 3.697 ( 0.410 0.237 0.829) 0.955 3.899 ( -0.306 -0.176 -0.877) 0.945 3.907 ( 1.701 0.982 -0.759) 2.106 4.272 ( 20.847 12.036 -22.663) 33.062 4.845 ( 1.493 0.862 1.575) 2.335 5.571 ( -11.669 -6.737 2.627) 13.728 ======================= Grid point 433 (145/288) ======================= q-point: ( 0.29 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.515 ( 6.139 3.544 6.279) 9.470 0.540 ( 9.793 5.654 5.582) 12.610 1.308 ( 3.884 2.242 3.187) 5.502 1.401 ( 3.442 1.987 -1.010) 4.101 1.714 ( 17.439 10.068 3.092) 20.373 2.117 ( -3.644 -2.104 1.300) 4.404 3.713 ( 0.792 0.457 0.452) 1.020 3.884 ( -0.736 -0.425 -0.625) 1.055 3.973 ( 3.813 2.202 1.299) 4.591 4.481 ( 5.192 2.998 -12.052) 13.461 4.848 ( -3.743 -2.161 5.282) 6.825 5.304 ( -9.996 -5.771 -4.786) 12.495 ======================= Grid point 434 (146/288) ======================= q-point: ( 0.36 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( 7.722 4.458 -3.120) 9.447 0.787 ( 9.795 5.655 0.878) 11.344 1.335 ( -0.765 -0.442 -1.238) 1.521 1.510 ( 6.286 3.629 -0.266) 7.263 2.011 ( 5.083 2.934 -4.229) 7.234 2.221 ( 13.725 7.924 4.392) 16.446 3.735 ( 1.014 0.585 -0.028) 1.171 3.866 ( -0.626 -0.361 -0.292) 0.780 4.074 ( 3.732 2.155 2.287) 4.878 4.521 ( 1.174 0.678 -5.207) 5.380 4.652 ( -14.212 -8.205 8.266) 18.375 5.130 ( -3.066 -1.770 -10.430) 11.015 ======================= Grid point 435 (147/288) ======================= q-point: ( 0.43 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( 9.085 5.245 -6.542) 12.363 0.975 ( 6.340 3.660 -1.361) 7.446 1.294 ( -1.910 -1.103 -1.695) 2.781 1.691 ( 9.156 5.286 -0.069) 10.573 2.081 ( 2.643 1.526 -1.539) 3.418 2.579 ( 14.849 8.573 0.697) 17.160 3.759 ( 1.063 0.613 -0.337) 1.272 3.856 ( -0.168 -0.097 0.148) 0.244 4.106 ( -4.468 -2.579 0.383) 5.173 4.308 ( -11.851 -6.842 5.371) 14.701 4.561 ( 2.242 1.294 -2.499) 3.598 5.056 ( -1.628 -0.940 -6.505) 6.771 ======================= Grid point 436 (148/288) ======================= q-point: ( 0.50 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( 8.392 4.845 -5.723) 11.254 1.079 ( 3.418 1.974 -1.961) 4.408 1.264 ( 0.904 0.522 -1.018) 1.458 1.908 ( 9.015 5.205 -0.639) 10.429 2.107 ( -0.707 -0.408 -0.054) 0.819 2.890 ( 11.572 6.681 0.233) 13.364 3.780 ( 0.834 0.482 -0.467) 1.071 3.827 ( -14.050 -8.112 1.421) 16.286 3.859 ( 0.259 0.149 0.726) 0.785 4.218 ( -1.127 -0.651 0.224) 1.321 4.625 ( 3.561 2.056 -1.049) 4.243 5.001 ( -2.115 -1.221 -2.565) 3.541 ======================= Grid point 437 (149/288) ======================= q-point: ( 0.57 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( 1.750 1.011 -1.894) 2.770 1.137 ( 0.948 0.548 -2.659) 2.876 1.394 ( 9.190 5.306 -3.588) 11.202 2.032 ( -5.735 -3.311 0.128) 6.624 2.080 ( 5.732 3.309 -1.104) 6.710 3.103 ( 6.394 3.692 1.167) 7.475 3.591 ( -6.058 -3.497 4.471) 8.302 3.793 ( 0.311 0.179 -0.398) 0.536 3.870 ( 0.368 0.213 1.158) 1.234 4.195 ( -0.724 -0.418 -0.792) 1.152 4.717 ( 4.638 2.678 -0.720) 5.404 4.931 ( -3.586 -2.070 -1.263) 4.329 ======================= Grid point 438 (150/288) ======================= q-point: (-0.36 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( 0.667 0.385 -1.571) 1.750 1.155 ( 1.541 0.890 -0.630) 1.888 1.555 ( 4.047 2.336 -6.420) 7.940 1.893 ( -4.085 -2.358 0.341) 4.729 2.153 ( 0.660 0.381 -0.976) 1.238 3.186 ( 0.615 0.355 1.755) 1.893 3.581 ( 2.529 1.460 9.467) 9.907 3.792 ( -0.253 -0.146 -0.250) 0.385 3.880 ( 0.109 0.063 1.229) 1.236 4.181 ( -0.258 -0.149 -1.039) 1.081 4.800 ( -3.092 -1.785 0.996) 3.706 4.858 ( 3.442 1.987 -3.084) 5.030 ======================= Grid point 439 (151/288) ======================= q-point: (-0.29 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( -0.268 -0.155 -0.964) 1.012 1.207 ( 2.587 1.494 1.232) 3.232 1.508 ( -4.832 -2.790 -1.013) 5.671 1.906 ( 4.112 2.374 -4.130) 6.293 2.102 ( -4.795 -2.768 -0.330) 5.547 3.146 ( -5.061 -2.922 2.959) 6.550 3.724 ( 6.598 3.809 10.099) 12.651 3.782 ( -0.404 -0.233 -0.332) 0.572 3.880 ( -0.476 -0.275 1.112) 1.241 4.171 ( -0.470 -0.271 -1.602) 1.692 4.666 ( -5.589 -3.227 -3.446) 7.315 4.995 ( 6.622 3.823 1.136) 7.730 ======================= Grid point 440 (152/288) ======================= q-point: (-0.21 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( -1.526 -0.881 0.148) 1.768 1.255 ( 0.003 0.002 2.788) 2.788 1.412 ( -3.096 -1.788 4.044) 5.398 1.939 ( -8.921 -5.151 0.528) 10.315 1.993 ( 4.210 2.431 -5.039) 7.002 2.951 ( -12.819 -7.401 2.716) 15.049 3.775 ( -0.108 -0.062 -0.534) 0.549 3.864 ( -1.107 -0.639 0.792) 1.504 3.930 ( 8.555 4.939 5.434) 11.274 4.141 ( -1.554 -0.897 -1.410) 2.282 4.560 ( -2.031 -1.173 -4.251) 4.855 5.154 ( 6.368 3.677 2.733) 7.844 ======================= Grid point 441 (153/288) ======================= q-point: (-0.14 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( -3.959 -2.286 2.342) 5.136 1.200 ( -5.482 -3.165 6.049) 8.755 1.381 ( -1.688 -0.975 2.598) 3.248 1.717 ( -9.864 -5.695 1.012) 11.434 2.064 ( 2.824 1.631 -2.717) 4.245 2.575 ( -19.686 -11.366 0.462) 22.736 3.773 ( -0.071 -0.041 -0.342) 0.351 3.838 ( -1.010 -0.583 -0.028) 1.167 4.047 ( -0.723 -0.417 -4.470) 4.547 4.192 ( 7.800 4.503 3.707) 9.740 4.552 ( 2.111 1.219 -2.667) 3.613 5.299 ( 5.270 3.043 2.518) 6.586 ======================= Grid point 446 (154/288) ======================= q-point: ( 0.21 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.383 ( -0.000 9.945 8.035) 12.786 0.694 ( -0.000 10.734 14.954) 18.408 0.994 ( -0.000 13.883 23.900) 27.640 1.324 ( 0.000 1.375 -2.973) 3.275 1.406 ( -0.000 7.696 -2.264) 8.022 2.345 ( 0.000 -18.188 4.701) 18.786 3.708 ( -0.000 0.893 0.928) 1.288 3.870 ( 0.000 -1.499 -1.438) 2.078 3.913 ( -0.000 2.210 -1.569) 2.710 4.180 ( -0.000 20.993 -17.768) 27.502 4.846 ( -0.000 0.870 1.739) 1.945 5.605 ( 0.000 -10.041 1.111) 10.102 ======================= Grid point 447 (155/288) ======================= q-point: ( 0.29 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.563 ( 2.672 15.674 0.578) 15.911 0.710 ( -9.698 12.103 15.788) 22.132 1.260 ( 4.707 3.501 5.900) 8.320 1.384 ( 3.452 4.326 -0.229) 5.539 1.586 ( 10.851 13.529 2.854) 17.576 2.161 ( -4.626 -6.677 0.755) 8.158 3.719 ( -0.126 1.219 1.024) 1.598 3.861 ( 1.092 -1.944 -1.375) 2.620 3.954 ( 2.109 2.803 0.289) 3.520 4.360 ( 7.001 6.116 -12.981) 15.967 4.856 ( 0.270 -2.242 2.784) 3.585 5.418 ( -9.448 -7.594 -2.028) 12.290 ======================= Grid point 448 (156/288) ======================= q-point: ( 0.36 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( -2.206 10.541 5.569) 12.124 0.802 ( 1.640 14.451 1.938) 14.672 1.317 ( 1.158 -0.721 -0.913) 1.642 1.484 ( 2.932 6.310 -0.486) 6.974 1.931 ( 8.779 8.928 -2.304) 12.731 2.129 ( 5.914 4.225 3.125) 7.911 3.735 ( 0.106 1.305 1.010) 1.654 3.856 ( 0.809 -1.422 -1.269) 2.071 4.041 ( 3.632 2.913 2.176) 5.139 4.450 ( 4.284 0.163 -7.353) 8.512 4.780 ( -6.138 -8.793 7.011) 12.812 5.175 ( -8.618 -2.553 -8.680) 12.495 ======================= Grid point 449 (157/288) ======================= q-point: ( 0.43 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( 1.528 8.590 1.673) 8.884 0.972 ( 2.722 10.717 -2.462) 11.328 1.298 ( -0.883 -1.805 -1.630) 2.587 1.633 ( 5.771 8.529 -0.004) 10.298 2.040 ( 3.172 2.302 -2.310) 4.549 2.436 ( 13.469 11.431 1.278) 17.712 3.751 ( 0.188 0.544 0.863) 1.038 3.855 ( 0.429 -0.049 -1.149) 1.227 4.120 ( 1.364 1.058 1.359) 2.197 4.485 ( -3.463 -3.676 1.557) 5.285 4.518 ( -7.553 -6.054 0.373) 9.687 5.042 ( -2.149 -1.854 -7.586) 8.100 ======================= Grid point 450 (158/288) ======================= q-point: ( 0.50 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( 5.200 6.494 0.221) 8.322 1.094 ( 1.741 7.980 -3.349) 8.828 1.261 ( -0.521 -0.919 -1.017) 1.467 1.839 ( 7.028 8.943 -0.172) 11.375 2.100 ( 1.676 1.169 -0.445) 2.092 2.768 ( 11.773 9.846 0.013) 15.348 3.745 ( -0.682 -2.975 0.766) 3.147 3.864 ( 0.242 1.310 -0.945) 1.634 4.047 ( -11.105 -1.575 1.011) 11.261 4.251 ( -5.409 -1.710 0.623) 5.707 4.561 ( 4.375 0.069 -1.486) 4.621 4.984 ( -0.091 -3.479 -3.085) 4.650 ======================= Grid point 451 (159/288) ======================= q-point: ( 0.57 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( 3.222 2.346 -1.100) 4.135 1.153 ( -0.438 2.588 -1.966) 3.279 1.316 ( 5.268 5.677 -1.266) 7.848 2.006 ( 2.999 1.523 0.017) 3.363 2.120 ( -0.678 5.459 -1.174) 5.625 3.029 ( 8.219 6.362 1.170) 10.459 3.641 ( -4.597 -6.568 1.908) 8.241 3.882 ( 0.039 1.800 -0.012) 1.801 3.894 ( -7.228 5.868 1.551) 9.438 4.199 ( -0.972 -0.909 -1.206) 1.796 4.640 ( 5.176 0.364 -1.757) 5.478 4.935 ( -0.824 -4.261 -0.549) 4.375 ======================= Grid point 452 (160/288) ======================= q-point: ( 0.64 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( 1.501 0.580 -1.921) 2.506 1.163 ( 0.025 1.738 -0.700) 1.874 1.469 ( 5.605 3.635 -3.902) 7.737 1.942 ( -4.594 -4.305 0.209) 6.300 2.203 ( -0.842 8.987 -1.777) 9.199 3.173 ( 2.864 2.084 1.992) 4.064 3.574 ( 1.069 -1.215 6.434) 6.634 3.864 ( -3.828 4.365 2.943) 6.509 3.904 ( -0.942 3.810 -0.656) 3.979 4.177 ( -0.116 -0.812 -1.203) 1.456 4.743 ( 6.970 0.375 -1.605) 7.163 4.853 ( -3.530 -4.693 -0.853) 5.934 ======================= Grid point 453 (161/288) ======================= q-point: (-0.29 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( 1.209 0.408 -1.679) 2.109 1.185 ( 1.177 1.502 0.537) 1.982 1.507 ( -0.210 -2.936 -4.409) 5.301 1.866 ( -0.056 -0.424 -0.585) 0.724 2.216 ( -5.969 5.964 -1.402) 8.553 3.193 ( -1.813 -1.262 2.683) 3.475 3.667 ( 5.459 1.755 7.233) 9.230 3.852 ( -3.175 3.061 4.040) 5.981 3.923 ( -1.774 5.158 -0.037) 5.455 4.168 ( 0.060 -0.450 -1.400) 1.472 4.716 ( -5.593 -4.781 -3.067) 7.971 4.879 ( 8.644 0.130 0.004) 8.645 ======================= Grid point 454 (162/288) ======================= q-point: (-0.21 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( -0.888 -0.508 -0.530) 1.152 1.237 ( 2.400 0.208 1.794) 3.004 1.436 ( -1.733 -3.464 0.194) 3.878 1.898 ( 3.307 -0.377 -2.791) 4.344 2.112 ( -9.935 2.910 -0.861) 10.388 3.089 ( -8.390 -4.358 2.693) 9.830 3.789 ( 2.520 2.876 -0.392) 3.843 3.840 ( -1.247 -0.472 5.234) 5.401 3.970 ( 0.055 8.538 3.799) 9.346 4.153 ( -0.959 -0.482 -1.707) 2.016 4.571 ( -3.844 -3.596 -4.580) 6.978 5.038 ( 9.304 -0.447 1.370) 9.415 ======================= Grid point 455 (163/288) ======================= q-point: (-0.14 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( -2.643 -3.883 2.165) 5.172 1.249 ( -1.104 -1.757 2.413) 3.182 1.399 ( -0.677 -1.471 1.457) 2.178 1.860 ( -8.571 -2.372 0.201) 8.895 2.022 ( 0.643 2.128 -2.461) 3.317 2.818 ( -17.234 -6.587 1.161) 18.486 3.800 ( -2.266 1.254 1.392) 2.941 3.828 ( -0.087 -0.995 -1.373) 1.697 4.087 ( -1.968 5.278 -2.432) 6.135 4.150 ( 4.259 3.794 4.633) 7.349 4.508 ( 1.229 -1.413 -3.832) 4.265 5.192 ( 8.632 -1.150 1.216) 8.793 ======================= Grid point 461 (164/288) ======================= q-point: ( 0.29 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.716 ( -0.000 18.235 -2.683) 18.432 0.956 ( -0.000 7.112 8.442) 11.038 1.317 ( -0.000 5.941 10.177) 11.785 1.366 ( -0.000 5.289 -2.552) 5.873 1.657 ( -0.000 17.711 3.960) 18.148 2.128 ( 0.000 -6.187 -1.824) 6.451 3.736 ( -0.000 1.372 0.542) 1.475 3.830 ( 0.000 -1.549 -1.112) 1.907 3.953 ( -0.000 2.299 -0.261) 2.314 4.329 ( 0.000 5.149 -7.950) 9.472 4.828 ( 0.000 -5.205 3.130) 6.074 5.417 ( 0.000 -7.030 -4.524) 8.360 ======================= Grid point 462 (165/288) ======================= q-point: ( 0.36 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( -0.885 14.823 -3.630) 15.286 0.992 ( -4.030 7.848 6.345) 10.867 1.322 ( -2.389 2.186 1.209) 3.457 1.497 ( 3.858 6.835 -0.286) 7.854 1.918 ( 5.111 14.895 0.351) 15.751 2.093 ( 2.863 2.280 0.390) 3.680 3.759 ( 0.151 2.067 1.199) 2.394 3.812 ( 0.713 -1.880 -1.496) 2.506 4.013 ( 3.482 2.434 1.340) 4.455 4.369 ( 2.589 0.892 -4.469) 5.241 4.757 ( -1.189 -9.964 4.107) 10.843 5.273 ( -7.249 -3.509 -7.550) 11.039 ======================= Grid point 463 (166/288) ======================= q-point: ( 0.43 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( -3.077 9.408 0.601) 9.917 1.060 ( -0.457 10.063 -0.885) 10.112 1.295 ( -1.602 -0.795 -0.455) 1.845 1.644 ( 4.176 9.702 -0.123) 10.563 2.016 ( 1.784 3.015 -1.952) 4.010 2.358 ( 10.731 15.091 1.082) 18.548 3.769 ( -0.960 0.558 1.357) 1.753 3.825 ( 2.174 -0.053 -1.889) 2.880 4.104 ( 2.866 1.938 1.876) 3.936 4.408 ( 3.666 -1.322 -1.820) 4.301 4.600 ( -5.758 -11.456 3.452) 13.278 5.086 ( -7.584 -1.434 -8.078) 11.173 ======================= Grid point 464 (167/288) ======================= q-point: ( 0.50 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( -0.289 8.762 3.564) 9.464 1.147 ( 0.574 8.317 -3.249) 8.947 1.256 ( -0.958 -1.439 -0.753) 1.886 1.831 ( 5.271 10.047 0.069) 11.346 2.083 ( 2.512 3.174 0.573) 4.088 2.687 ( 10.298 13.181 -0.862) 16.750 3.748 ( -1.735 -1.838 1.298) 2.841 3.856 ( 1.569 1.086 -2.811) 3.397 4.130 ( -1.565 -0.522 0.278) 1.673 4.380 ( -8.981 -4.662 1.237) 10.194 4.474 ( 4.790 -0.538 -0.029) 4.820 4.948 ( -2.904 -3.783 -4.680) 6.682 ======================= Grid point 465 (168/288) ======================= q-point: ( 0.57 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( -0.347 6.209 3.688) 7.230 1.182 ( -1.265 0.816 -0.953) 1.782 1.296 ( 3.865 6.340 -1.467) 7.568 1.979 ( 2.656 2.347 0.539) 3.585 2.180 ( 2.051 9.481 0.069) 9.701 2.961 ( 8.312 8.825 0.138) 12.124 3.664 ( -4.248 -4.232 0.315) 6.005 3.886 ( 1.456 1.411 -2.651) 3.337 4.066 ( -4.622 1.272 1.439) 5.005 4.241 ( -5.754 1.590 -0.660) 6.007 4.551 ( 4.306 -0.245 -0.924) 4.411 4.877 ( 0.845 -5.770 -1.011) 5.918 ======================= Grid point 466 (169/288) ======================= q-point: ( 0.64 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( -1.337 1.910 0.287) 2.349 1.184 ( -0.255 2.363 0.521) 2.433 1.426 ( 3.561 4.632 -0.880) 5.909 1.965 ( -2.549 -3.495 0.671) 4.377 2.326 ( -0.108 13.815 -1.623) 13.911 3.142 ( 4.705 3.494 1.911) 6.164 3.575 ( -1.374 -1.405 2.289) 3.016 3.911 ( 0.340 1.066 -0.798) 1.374 4.040 ( -3.268 6.005 2.157) 7.169 4.176 ( -2.987 0.617 -1.244) 3.294 4.618 ( 5.207 -1.211 -2.439) 5.876 4.833 ( 0.079 -5.455 0.234) 5.460 ======================= Grid point 467 (170/288) ======================= q-point: (-0.29 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( 0.358 1.171 -0.737) 1.429 1.202 ( -0.687 2.267 0.829) 2.510 1.471 ( 0.061 -1.287 -2.462) 2.779 1.883 ( -2.571 -1.694 0.599) 3.136 2.402 ( -5.691 11.424 -1.931) 12.908 3.205 ( 0.405 -0.536 2.548) 2.635 3.623 ( 4.237 2.539 4.707) 6.823 3.911 ( -1.052 0.328 0.895) 1.420 4.070 ( -4.146 10.079 2.181) 11.115 4.143 ( 0.576 -1.878 -1.347) 2.382 4.682 ( 4.327 -4.927 -3.909) 7.634 4.774 ( 0.010 -2.531 0.769) 2.645 ======================= Grid point 468 (171/288) ======================= q-point: (-0.21 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( 0.251 1.003 -0.983) 1.427 1.212 ( 0.280 0.085 1.782) 1.806 1.420 ( -1.108 -3.181 -1.354) 3.630 1.861 ( 0.405 0.113 -0.003) 0.420 2.338 ( -10.975 6.196 -1.109) 12.652 3.168 ( -3.864 -2.594 2.239) 5.165 3.761 ( 4.773 4.684 2.365) 7.093 3.888 ( -1.934 -0.314 0.942) 2.174 4.097 ( -2.815 6.258 2.964) 7.475 4.153 ( 0.182 2.552 -0.768) 2.671 4.587 ( -4.104 -5.562 -4.105) 8.040 4.855 ( 9.038 -2.590 0.517) 9.416 ======================= Grid point 469 (172/288) ======================= q-point: (-0.14 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( -3.226 -2.314 1.685) 4.313 1.231 ( 1.605 -1.319 0.946) 2.283 1.388 ( -0.013 -1.348 -0.438) 1.418 1.885 ( 1.503 0.274 -0.018) 1.528 2.165 ( -12.321 2.116 -0.119) 12.502 3.018 ( -10.887 -3.511 0.797) 11.467 3.820 ( -1.492 -1.759 0.452) 2.351 3.876 ( -1.121 4.730 -1.668) 5.139 4.122 ( 1.328 -1.142 1.028) 2.031 4.198 ( -1.401 10.018 2.425) 10.403 4.470 ( -1.453 -3.892 -3.602) 5.498 4.998 ( 10.466 -3.562 0.002) 11.055 ======================= Grid point 476 (173/288) ======================= q-point: ( 0.36 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( -0.000 13.654 -4.868) 14.496 1.068 ( -0.000 1.867 0.753) 2.013 1.402 ( -0.000 -0.016 0.788) 0.788 1.518 ( -0.000 10.089 -0.397) 10.097 1.999 ( -0.000 3.541 -3.702) 5.122 2.142 ( -0.000 17.766 4.046) 18.221 3.764 ( -0.000 0.629 0.575) 0.852 3.806 ( 0.000 0.336 -0.869) 0.932 4.000 ( -0.000 1.796 1.937) 2.641 4.350 ( 0.000 0.276 -0.889) 0.931 4.665 ( 0.000 -12.096 2.368) 12.325 5.280 ( 0.000 -2.757 -8.097) 8.554 ======================= Grid point 477 (174/288) ======================= q-point: ( 0.43 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( -1.950 4.210 -2.902) 5.472 1.137 ( 0.839 8.024 -3.546) 8.813 1.345 ( -3.722 -0.859 -0.724) 3.888 1.667 ( 4.179 10.075 -0.427) 10.915 2.010 ( 1.213 1.109 -1.437) 2.183 2.404 ( 4.607 20.766 1.378) 21.315 3.773 ( 0.430 -1.073 -0.777) 1.393 3.812 ( -0.040 2.351 0.624) 2.432 4.066 ( 3.973 1.578 2.522) 4.963 4.351 ( 0.882 -1.690 0.646) 2.013 4.537 ( -1.019 -11.942 0.562) 11.998 5.176 ( -6.038 -1.785 -7.549) 9.830 ======================= Grid point 478 (175/288) ======================= q-point: ( 0.50 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 1.156 4.627 -0.723) 4.823 1.208 ( 0.310 7.075 -3.647) 7.965 1.277 ( -2.727 -1.153 -0.050) 2.961 1.843 ( 4.447 9.008 -0.063) 10.046 2.069 ( 3.642 2.935 1.380) 4.876 2.691 ( 5.900 17.323 -1.114) 18.334 3.761 ( -0.700 -0.778 -0.105) 1.052 3.833 ( 0.348 0.668 -1.470) 1.651 4.138 ( 0.969 0.537 0.840) 1.391 4.355 ( 3.319 -5.932 0.183) 6.800 4.432 ( -0.355 -3.274 1.422) 3.587 5.007 ( -8.152 -2.306 -5.539) 10.122 ======================= Grid point 479 (176/288) ======================= q-point: ( 0.57 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( 2.136 3.365 2.343) 4.623 1.216 ( -2.966 0.504 1.147) 3.219 1.299 ( 2.822 6.874 -2.463) 7.828 1.962 ( 2.088 1.873 1.191) 3.047 2.222 ( 5.776 10.111 1.330) 11.721 2.936 ( 5.560 11.669 -1.100) 12.973 3.705 ( -4.097 -2.083 -1.133) 4.733 3.843 ( 2.082 -0.331 -3.464) 4.056 4.112 ( -2.333 -1.209 0.234) 2.638 4.344 ( -0.512 0.145 0.120) 0.546 4.479 ( 4.025 0.453 1.634) 4.367 4.839 ( -4.940 -4.456 -2.706) 7.182 ======================= Grid point 480 (177/288) ======================= q-point: ( 0.64 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( -1.473 -0.871 -0.015) 1.711 1.235 ( -0.762 4.509 2.570) 5.246 1.417 ( 3.046 4.567 0.365) 5.502 1.969 ( -0.993 -2.350 1.397) 2.909 2.446 ( 3.943 15.144 0.185) 15.650 3.102 ( 4.197 4.601 0.537) 6.250 3.608 ( -3.378 -0.716 -1.446) 3.744 3.873 ( 2.997 -0.748 -3.596) 4.740 4.070 ( -0.848 -1.469 1.699) 2.400 4.328 ( -5.467 6.036 1.117) 8.220 4.539 ( 2.497 -0.275 -1.233) 2.798 4.753 ( 1.367 -5.752 -0.351) 5.923 ======================= Grid point 481 (178/288) ======================= q-point: ( 0.71 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( -0.613 0.106 0.025) 0.623 1.262 ( -1.776 3.845 2.019) 4.691 1.461 ( -0.365 -0.891 -0.372) 1.032 1.913 ( -2.478 -1.800 0.870) 3.183 2.615 ( -3.245 15.079 -0.896) 15.451 3.178 ( 2.453 -1.310 1.871) 3.352 3.604 ( 2.081 2.972 1.376) 3.880 3.898 ( 2.087 -1.500 -3.352) 4.223 4.068 ( 1.952 -2.385 1.456) 3.409 4.293 ( -6.827 8.500 2.286) 11.139 4.562 ( 2.580 -2.833 -2.367) 4.504 4.736 ( 1.607 -3.901 -0.278) 4.228 ======================= Grid point 482 (179/288) ======================= q-point: (-0.21 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( 0.710 0.620 -0.177) 0.959 1.257 ( -3.214 1.723 2.240) 4.280 1.411 ( -1.527 -2.874 -0.613) 3.312 1.873 ( -1.285 -0.125 0.954) 1.606 2.604 ( -11.161 8.621 -0.677) 14.119 3.184 ( -0.041 -2.561 1.678) 3.062 3.732 ( 5.474 6.013 1.990) 8.371 3.891 ( 0.415 -1.878 -3.187) 3.722 4.079 ( 2.039 -3.477 -0.369) 4.048 4.299 ( -4.188 10.053 3.715) 11.507 4.541 ( 0.726 -6.419 -2.500) 6.927 4.733 ( 2.355 -1.866 -0.515) 3.049 ======================= Grid point 483 (180/288) ======================= q-point: (-0.14 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( -0.951 0.653 0.230) 1.177 1.200 ( -1.778 -2.346 1.923) 3.516 1.381 ( -0.335 -0.368 0.316) 0.590 1.873 ( 0.608 0.643 1.480) 1.724 2.427 ( -14.564 2.529 0.250) 14.785 3.127 ( -4.696 -2.050 0.422) 5.141 3.825 ( -0.710 -2.131 -1.169) 2.532 3.909 ( 2.562 6.091 -3.178) 7.332 4.070 ( 1.858 -3.618 -0.091) 4.068 4.348 ( -3.070 8.800 2.828) 9.740 4.452 ( -2.261 -5.550 -1.121) 6.097 4.797 ( 7.665 -2.485 -0.811) 8.098 ======================= Grid point 491 (181/288) ======================= q-point: ( 0.43 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( 0.000 0.307 -2.182) 2.204 1.196 ( -0.000 7.730 -7.179) 10.549 1.346 ( 0.000 -3.674 -3.607) 5.149 1.728 ( -0.000 10.629 -0.633) 10.647 1.997 ( -0.000 -0.300 0.408) 0.506 2.593 ( -0.000 21.993 0.409) 21.996 3.763 ( 0.000 -0.463 0.238) 0.520 3.839 ( -0.000 2.608 -0.224) 2.618 4.048 ( -0.000 0.820 4.256) 4.334 4.322 ( 0.000 -4.394 -0.807) 4.468 4.436 ( 0.000 -8.066 0.310) 8.072 5.188 ( 0.000 -2.325 -6.624) 7.021 ======================= Grid point 492 (182/288) ======================= q-point: ( 0.50 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 1.014 1.122 -2.151) 2.629 1.239 ( 1.385 3.418 -7.849) 8.672 1.295 ( -1.278 -1.155 -0.798) 1.898 1.862 ( 3.197 8.835 -0.502) 9.409 2.021 ( 3.398 -0.152 2.038) 3.965 2.815 ( 1.445 18.975 -1.176) 19.066 3.762 ( 0.111 0.167 0.093) 0.221 3.853 ( -1.322 1.543 -0.466) 2.085 4.099 ( 3.815 -0.744 3.224) 5.050 4.248 ( 0.018 -6.377 -5.411) 8.363 4.407 ( 0.946 -1.207 4.009) 4.292 5.093 ( -5.492 -2.914 -4.980) 7.966 ======================= Grid point 493 (183/288) ======================= q-point: ( 0.57 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( 3.452 1.177 0.595) 3.695 1.244 ( 0.564 -1.337 -1.836) 2.340 1.315 ( 1.520 5.328 -2.112) 5.930 1.953 ( 1.130 1.043 1.987) 2.513 2.170 ( 9.501 6.368 0.359) 11.443 3.003 ( 1.522 13.702 -1.412) 13.858 3.750 ( -2.692 -0.064 -2.189) 3.470 3.823 ( -1.179 0.136 -1.021) 1.565 4.138 ( -1.421 -0.589 -0.049) 1.539 4.229 ( 7.655 -3.990 -2.762) 9.064 4.452 ( 1.871 1.669 3.917) 4.651 4.925 ( -8.198 -3.182 -2.780) 9.223 ======================= Grid point 494 (184/288) ======================= q-point: ( 0.64 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( 0.049 -1.350 0.023) 1.351 1.273 ( 1.762 2.304 0.365) 2.923 1.408 ( 3.079 3.628 0.866) 4.837 1.961 ( -0.019 -2.085 1.874) 2.804 2.443 ( 11.556 10.185 0.358) 15.408 3.122 ( 0.210 7.153 -0.622) 7.183 3.663 ( -4.266 0.017 -4.721) 6.362 3.823 ( 0.421 -0.007 -0.358) 0.552 4.090 ( -2.260 -1.126 0.503) 2.574 4.351 ( 7.529 0.142 -0.818) 7.574 4.507 ( 1.365 1.170 1.307) 2.223 4.753 ( -6.780 -2.711 -0.576) 7.324 ======================= Grid point 495 (185/288) ======================= q-point: ( 0.71 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( -0.409 -0.631 -0.025) 0.752 1.321 ( 0.374 2.960 0.710) 3.067 1.455 ( 0.042 -1.264 0.907) 1.557 1.931 ( -1.218 -1.843 0.704) 2.318 2.743 ( 7.863 12.997 0.587) 15.202 3.140 ( -1.478 -0.908 -0.008) 1.735 3.619 ( -0.333 2.969 -2.007) 3.599 3.823 ( 1.158 -2.141 -1.537) 2.879 4.051 ( -1.125 -1.336 1.474) 2.285 4.447 ( 0.226 4.159 1.022) 4.288 4.520 ( -0.132 -1.032 -1.323) 1.683 4.663 ( 0.097 -2.469 0.115) 2.474 ======================= Grid point 496 (186/288) ======================= q-point: (-0.21 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( 0.111 -0.068 -0.001) 0.130 1.342 ( -2.475 2.381 1.609) 3.792 1.403 ( -1.364 -3.710 -0.241) 3.960 1.897 ( -1.348 -0.668 0.587) 1.615 2.879 ( -8.896 10.026 0.299) 13.407 3.112 ( 4.548 -5.385 0.440) 7.063 3.710 ( 4.702 6.737 1.032) 8.280 3.812 ( 2.283 -3.934 -4.054) 6.093 4.030 ( 0.033 -2.063 1.315) 2.446 4.467 ( -3.426 6.420 2.931) 7.845 4.478 ( -0.949 -4.388 -1.277) 4.667 4.678 ( 2.510 -1.278 -1.316) 3.109 ======================= Grid point 497 (187/288) ======================= q-point: (-0.14 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( 1.071 -0.008 -0.118) 1.077 1.265 ( -4.925 -2.318 1.507) 5.648 1.394 ( -0.123 1.222 1.382) 1.849 1.879 ( -0.341 -0.130 1.271) 1.323 2.704 ( -14.622 0.535 0.884) 14.659 3.143 ( 0.937 -1.365 -0.107) 1.658 3.771 ( 1.585 -5.442 -3.334) 6.576 3.903 ( 5.257 8.673 -2.351) 10.411 4.011 ( 0.341 -3.280 0.433) 3.326 4.393 ( -1.558 -7.286 -0.145) 7.452 4.502 ( -1.683 6.979 3.399) 7.943 4.702 ( 2.162 -0.044 -1.703) 2.752 ======================= Grid point 506 (188/288) ======================= q-point: ( 0.50 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( 0.000 0.354 -1.723) 1.759 1.184 ( 0.000 -2.901 -9.134) 9.584 1.311 ( -0.000 2.107 -1.226) 2.437 1.920 ( -0.000 8.781 -0.920) 8.829 1.984 ( -0.000 -2.592 3.765) 4.571 2.979 ( -0.000 16.198 -2.039) 16.326 3.759 ( -0.000 0.052 0.056) 0.077 3.891 ( -0.000 2.406 -0.061) 2.407 4.039 ( 0.000 -4.359 -0.440) 4.381 4.196 ( 0.000 -1.243 -5.623) 5.759 4.413 ( -0.000 1.240 6.346) 6.466 5.090 ( 0.000 -4.334 -3.931) 5.852 ======================= Grid point 507 (189/288) ======================= q-point: ( 0.57 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( 2.560 0.950 0.133) 2.734 1.165 ( 3.538 -2.983 -5.059) 6.856 1.333 ( 0.606 2.684 -0.997) 2.927 1.954 ( -0.285 -1.439 3.034) 3.370 2.071 ( 7.185 5.286 -0.084) 8.920 3.114 ( 0.232 11.345 -2.142) 11.548 3.771 ( 0.292 0.791 -1.218) 1.482 3.870 ( -3.270 1.010 -1.175) 3.618 4.046 ( 5.958 -2.483 -3.755) 7.468 4.166 ( -1.432 -0.398 -2.314) 2.751 4.469 ( 0.765 3.714 6.115) 7.196 4.991 ( -4.409 -5.031 -2.391) 7.104 ======================= Grid point 508 (190/288) ======================= q-point: ( 0.64 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 1.526 -0.946 0.105) 1.799 1.218 ( 5.160 0.140 -1.852) 5.484 1.390 ( 2.645 2.248 1.311) 3.711 1.940 ( 0.259 -2.790 2.014) 3.451 2.297 ( 12.486 5.494 0.068) 13.642 3.197 ( -0.381 6.394 -1.500) 6.579 3.726 ( -4.258 1.147 -6.745) 8.058 3.853 ( -1.342 1.877 2.490) 3.395 4.123 ( -2.363 -0.586 -0.218) 2.444 4.161 ( 10.341 -1.311 -3.011) 10.850 4.527 ( -0.402 3.280 3.498) 4.812 4.844 ( -6.068 -3.822 -0.530) 7.191 ======================= Grid point 509 (191/288) ======================= q-point: ( 0.71 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( 0.270 -0.562 -0.086) 0.630 1.299 ( 3.931 0.777 -1.627) 4.324 1.440 ( 0.840 -1.163 1.795) 2.298 1.921 ( 0.122 -2.185 0.120) 2.192 2.600 ( 15.692 4.312 0.620) 16.285 3.208 ( -3.258 1.996 -1.122) 3.982 3.663 ( -2.279 3.358 -4.572) 6.113 3.839 ( -2.851 0.511 2.725) 3.977 4.076 ( -2.394 -0.570 0.604) 2.534 4.337 ( 10.817 -0.152 -2.282) 11.056 4.533 ( -2.006 0.526 0.772) 2.213 4.721 ( -5.095 -0.999 1.101) 5.308 ======================= Grid point 510 (192/288) ======================= q-point: (-0.21 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( -0.119 0.041 0.004) 0.126 1.356 ( 2.566 -0.499 -1.324) 2.930 1.401 ( -2.414 -2.705 0.278) 3.636 1.902 ( -0.267 -1.190 -0.525) 1.328 2.882 ( 13.608 -2.166 -0.335) 13.783 3.116 ( -7.832 0.978 -0.286) 7.898 3.717 ( 3.015 7.659 -0.049) 8.231 3.784 ( -3.332 -1.647 1.501) 4.009 4.034 ( -1.731 -1.056 0.494) 2.087 4.475 ( -2.967 -2.947 -0.659) 4.234 4.490 ( 6.144 1.113 -1.944) 6.540 4.663 ( -1.945 1.081 1.801) 2.863 ======================= Grid point 511 (193/288) ======================= q-point: (-0.14 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( 0.075 0.130 -0.000) 0.150 1.300 ( -2.608 -4.517 -0.000) 5.216 1.407 ( 1.128 1.953 -0.000) 2.256 1.884 ( -0.472 -0.817 -0.000) 0.943 2.876 ( -5.878 -10.181 -0.000) 11.756 3.097 ( 2.218 3.841 -0.000) 4.435 3.706 ( -2.259 -3.913 -0.000) 4.518 3.896 ( 5.764 9.984 0.000) 11.528 3.995 ( -1.186 -2.054 -0.000) 2.372 4.365 ( -3.692 -6.395 -0.000) 7.384 4.567 ( 1.593 2.759 -0.000) 3.186 4.679 ( 1.022 1.771 0.000) 2.045 ======================= Grid point 522 (194/288) ======================= q-point: ( 0.57 0.57 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( -0.000 0.732 0.127) 0.743 1.089 ( 0.000 -1.726 -2.381) 2.941 1.345 ( -0.000 1.568 0.073) 1.570 1.939 ( 0.000 -3.898 3.427) 5.191 2.061 ( -0.000 5.370 -0.257) 5.377 3.198 ( -0.000 7.106 -2.475) 7.525 3.765 ( -0.000 0.369 0.361) 0.516 3.926 ( -0.000 1.173 -0.732) 1.382 3.949 ( 0.000 0.484 -10.066) 10.078 4.170 ( 0.000 -0.717 -0.796) 1.072 4.538 ( -0.000 6.181 7.388) 9.633 4.961 ( 0.000 -6.597 -1.827) 6.845 ======================= Grid point 523 (195/288) ======================= q-point: ( 0.64 0.57 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( 1.907 -0.567 -0.558) 2.066 1.130 ( 4.233 1.407 0.982) 4.567 1.375 ( 1.509 1.248 2.197) 2.943 1.911 ( 0.157 -3.292 1.739) 3.726 2.166 ( 7.104 3.190 0.508) 7.804 3.243 ( 0.025 3.442 -2.191) 4.081 3.772 ( -1.115 0.925 -3.908) 4.168 3.892 ( -0.910 1.737 -0.708) 2.085 4.001 ( 5.521 0.850 -6.576) 8.629 4.150 ( -1.210 -0.720 0.326) 1.445 4.608 ( -1.728 4.877 6.381) 8.215 4.869 ( -2.534 -5.127 -1.084) 5.821 ======================= Grid point 524 (196/288) ======================= q-point: (-0.29 -0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( 1.516 0.085 -0.109) 1.522 1.220 ( 4.287 0.751 -1.025) 4.471 1.418 ( 1.198 -0.703 2.885) 3.201 1.892 ( 0.505 -2.089 -0.306) 2.171 2.369 ( 13.044 0.763 1.375) 13.139 3.249 ( -0.960 0.202 -1.907) 2.144 3.725 ( -2.710 2.894 -5.833) 7.052 3.898 ( -1.482 0.424 2.341) 2.803 4.118 ( -1.872 -0.356 1.107) 2.204 4.137 ( 10.267 1.399 -4.221) 11.188 4.600 ( -3.622 -0.135 4.266) 5.598 4.785 ( -3.660 -0.349 -0.349) 3.693 ======================= Grid point 525 (197/288) ======================= q-point: (-0.21 -0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( 0.293 0.781 0.091) 0.839 1.279 ( 3.318 -1.813 -2.341) 4.447 1.406 ( -0.942 -2.080 0.435) 2.325 1.884 ( 0.551 -0.965 -1.305) 1.714 2.598 ( 13.793 -4.938 0.481) 14.658 3.199 ( -2.814 -1.716 -1.416) 3.587 3.749 ( 1.627 6.876 -1.692) 7.265 3.859 ( -3.669 -0.874 3.781) 5.341 4.073 ( -3.165 -0.279 0.826) 3.283 4.332 ( 10.693 1.491 -3.225) 11.268 4.523 ( -4.485 -2.485 1.286) 5.286 4.726 ( -3.650 1.215 0.975) 3.969 ======================= Grid point 537 (198/288) ======================= q-point: (-0.36 -0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( -0.000 0.856 1.674) 1.880 1.108 ( -0.000 3.460 2.449) 4.239 1.382 ( -0.000 1.045 3.928) 4.065 1.883 ( 0.000 -2.597 0.690) 2.687 2.125 ( -0.000 0.665 0.732) 0.989 3.257 ( 0.000 0.868 -2.332) 2.489 3.774 ( -0.000 0.102 0.682) 0.690 3.927 ( 0.000 -0.212 -1.496) 1.511 3.929 ( 0.000 3.853 -12.528) 13.107 4.153 ( 0.000 -0.857 0.783) 1.161 4.673 ( -0.000 -2.079 7.577) 7.857 4.859 ( -0.000 1.842 -1.269) 2.237 ======================= Grid point 538 (199/288) ======================= q-point: (-0.29 -0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( 0.446 1.195 1.508) 1.975 1.184 ( 2.069 3.257 0.885) 3.958 1.411 ( 0.381 0.080 4.741) 4.757 1.867 ( 0.241 -1.028 -0.492) 1.165 2.188 ( 7.486 -1.901 1.411) 7.852 3.243 ( -0.284 -2.129 -2.252) 3.112 3.766 ( -1.227 0.971 -3.028) 3.409 3.913 ( -0.121 -0.163 -0.006) 0.203 3.989 ( 6.263 2.826 -8.395) 10.849 4.144 ( -0.601 -0.364 1.028) 1.245 4.624 ( -1.293 -7.252 6.159) 9.602 4.883 ( -3.577 7.217 -0.256) 8.059 ======================= Grid point 539 (200/288) ======================= q-point: (-0.21 -0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( 1.201 0.862 0.820) 1.690 1.227 ( 0.515 0.572 -1.427) 1.622 1.406 ( -1.100 -1.588 1.662) 2.548 1.866 ( 0.342 0.176 -1.071) 1.138 2.327 ( 11.234 -5.880 1.192) 12.736 3.188 ( -0.734 -5.107 -1.913) 5.503 3.778 ( 1.242 4.451 -1.470) 4.849 3.890 ( -1.114 -1.882 0.616) 2.272 4.118 ( -0.406 0.365 -0.873) 1.030 4.159 ( 8.913 2.402 -2.579) 9.585 4.546 ( -1.879 -6.173 4.464) 7.846 4.858 ( -6.896 6.376 -0.139) 9.393 ======================= Grid point 552 (201/288) ======================= q-point: (-0.29 -0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( -0.000 0.418 1.925) 1.970 1.218 ( -0.000 5.078 0.500) 5.102 1.432 ( -0.000 0.277 5.857) 5.864 1.866 ( -0.000 1.309 0.213) 1.326 2.089 ( 0.000 -4.853 0.936) 4.942 3.201 ( 0.000 -5.656 -2.389) 6.140 3.775 ( -0.000 -0.421 0.521) 0.670 3.904 ( 0.000 -1.015 -1.401) 1.731 3.934 ( 0.000 4.193 -11.005) 11.776 4.146 ( -0.000 -0.397 0.680) 0.788 4.573 ( 0.000 -7.610 6.326) 9.896 5.004 ( -0.000 8.926 0.177) 8.928 ======================= Grid point 553 (202/288) ======================= q-point: (-0.21 -0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( 0.336 -0.220 1.232) 1.296 1.252 ( -0.967 2.673 -1.227) 3.096 1.426 ( -1.795 -1.176 2.353) 3.184 1.880 ( -0.966 2.194 0.852) 2.544 2.103 ( 7.410 -6.945 1.014) 10.206 3.113 ( 0.064 -9.851 -2.207) 10.095 3.784 ( 1.395 1.475 0.532) 2.099 3.877 ( -0.649 -2.177 -2.398) 3.303 4.017 ( 6.986 4.505 -5.894) 10.190 4.142 ( -0.293 -0.421 0.311) 0.600 4.522 ( -0.790 -5.087 5.732) 7.705 5.045 ( -5.145 8.096 -0.219) 9.595 ======================= Grid point 567 (203/288) ======================= q-point: (-0.21 -0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( 0.000 -0.972 0.657) 1.173 1.277 ( 0.000 0.794 -2.027) 2.177 1.435 ( 0.000 -1.821 -0.564) 1.907 1.942 ( 0.000 -9.817 -0.105) 9.817 1.950 ( -0.000 5.076 3.745) 6.308 2.975 ( 0.000 -15.456 -2.291) 15.625 3.770 ( -0.000 -0.213 0.512) 0.554 3.872 ( 0.000 -1.521 -0.836) 1.736 3.978 ( -0.000 5.284 -4.347) 6.842 4.140 ( 0.000 0.226 -1.458) 1.476 4.514 ( -0.000 -1.846 5.504) 5.806 5.171 ( -0.000 7.692 -0.863) 7.740 ======================= Grid point 644 (204/288) ======================= q-point: ( 0.21 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.547 ( -0.000 -0.000 17.696) 17.696 0.547 ( -0.000 -0.000 17.696) 17.696 0.884 ( -0.000 -0.000 30.537) 30.537 1.308 ( 0.000 0.000 -3.007) 3.007 1.308 ( 0.000 0.000 -3.007) 3.007 2.704 ( 0.000 0.000 -13.165) 13.165 3.701 ( -0.000 -0.000 1.259) 1.259 3.701 ( -0.000 -0.000 1.259) 1.259 3.888 ( 0.000 0.000 -1.505) 1.505 3.888 ( 0.000 0.000 -1.505) 1.505 4.837 ( -0.000 -0.000 2.140) 2.140 5.740 ( 0.000 0.000 -0.421) 0.421 ======================= Grid point 645 (205/288) ======================= q-point: ( 0.29 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.501 ( -0.654 -0.377 16.623) 16.640 0.592 ( -3.180 -1.836 20.608) 20.933 1.188 ( 10.468 6.043 14.099) 18.571 1.329 ( 2.036 1.175 -2.444) 3.391 1.390 ( 10.076 5.817 0.331) 11.639 2.346 ( -15.414 -8.899 -1.044) 17.830 3.707 ( 0.264 0.152 1.263) 1.299 3.888 ( -0.165 -0.095 -1.526) 1.538 3.901 ( 2.482 1.433 -0.470) 2.904 4.098 ( 19.708 11.378 -14.747) 27.117 4.861 ( 1.366 0.789 1.756) 2.361 5.588 ( -11.693 -6.751 1.156) 13.551 ======================= Grid point 646 (206/288) ======================= q-point: ( 0.36 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.616 ( 0.368 0.212 14.036) 14.043 0.617 ( 6.308 3.642 10.314) 12.626 1.316 ( 1.907 1.101 -1.388) 2.603 1.390 ( 3.886 2.244 -1.463) 4.720 1.742 ( 15.071 8.701 2.826) 17.631 2.127 ( -3.099 -1.789 0.692) 3.645 3.720 ( 0.542 0.313 0.928) 1.119 3.874 ( -0.528 -0.305 -1.403) 1.530 3.988 ( 4.533 2.617 1.842) 5.549 4.366 ( 8.217 4.744 -12.102) 15.378 4.889 ( -0.678 -0.392 3.436) 3.524 5.270 ( -14.367 -8.295 -2.518) 16.779 ======================= Grid point 647 (207/288) ======================= q-point: ( 0.43 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.687 ( 3.586 2.070 3.623) 5.502 0.811 ( 7.583 4.378 4.093) 9.665 1.318 ( -0.794 -0.458 -2.326) 2.500 1.507 ( 6.632 3.829 -0.244) 7.662 1.973 ( 5.455 3.150 -3.705) 7.308 2.257 ( 12.449 7.188 3.297) 14.748 3.738 ( 0.770 0.445 0.518) 1.029 3.859 ( -0.342 -0.198 -1.079) 1.149 4.095 ( 3.363 1.941 2.064) 4.397 4.465 ( 3.862 2.229 -6.463) 7.852 4.729 ( -16.216 -9.362 7.767) 20.271 5.039 ( -2.110 -1.218 -8.643) 8.980 ======================= Grid point 648 (208/288) ======================= q-point: ( 0.50 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( 7.873 4.546 -1.214) 9.172 0.969 ( 5.325 3.074 0.168) 6.151 1.281 ( -1.606 -0.927 -0.972) 2.094 1.692 ( 9.025 5.211 0.279) 10.425 2.065 ( 3.424 1.977 -1.796) 4.343 2.586 ( 14.255 8.230 0.704) 16.475 3.758 ( 0.845 0.488 0.022) 0.976 3.855 ( 0.223 0.129 -0.301) 0.396 4.113 ( -4.321 -2.495 1.200) 5.131 4.345 ( -14.066 -8.121 2.218) 16.393 4.533 ( 3.458 1.997 -3.224) 5.132 5.009 ( -0.192 -0.111 -3.256) 3.263 ======================= Grid point 649 (209/288) ======================= q-point: ( 0.57 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( 7.939 4.583 -2.692) 9.554 1.063 ( 3.138 1.811 -1.502) 3.922 1.261 ( 0.943 0.545 0.284) 1.126 1.903 ( 8.670 5.006 -0.262) 10.015 2.100 ( -0.461 -0.266 -1.426) 1.522 2.897 ( 11.863 6.849 1.236) 13.754 3.775 ( 0.729 0.421 -0.621) 1.046 3.851 ( -13.606 -7.855 3.756) 16.153 3.867 ( 0.602 0.348 0.928) 1.160 4.212 ( -1.465 -0.846 -1.388) 2.189 4.607 ( 3.805 2.197 -2.664) 5.138 4.987 ( -1.501 -0.867 -0.249) 1.751 ======================= Grid point 650 (210/288) ======================= q-point: ( 0.64 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( 1.840 1.063 -2.794) 3.510 1.112 ( 1.770 1.022 -2.016) 2.871 1.367 ( 7.148 4.127 -2.168) 8.534 2.024 ( -5.366 -3.098 -1.638) 6.409 2.071 ( 5.570 3.216 -0.924) 6.497 3.119 ( 6.443 3.720 2.196) 7.757 3.651 ( -4.362 -2.518 8.097) 9.536 3.787 ( 0.425 0.245 -0.842) 0.974 3.884 ( 0.417 0.241 1.732) 1.798 4.186 ( -0.666 -0.385 -1.151) 1.385 4.701 ( 5.223 3.015 -2.758) 6.631 4.925 ( -4.097 -2.366 -0.064) 4.731 ======================= Grid point 651 (211/288) ======================= q-point: (-0.29 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( 0.862 0.498 -2.003) 2.237 1.146 ( 2.373 1.370 -1.292) 3.029 1.491 ( 3.595 2.075 -6.986) 8.126 1.893 ( -4.042 -2.334 -0.192) 4.671 2.143 ( 0.787 0.454 -1.111) 1.436 3.207 ( 0.855 0.494 2.530) 2.716 3.684 ( 3.218 1.858 12.195) 12.749 3.788 ( -0.121 -0.070 -0.598) 0.615 3.894 ( -0.038 -0.022 1.749) 1.749 4.171 ( -0.373 -0.215 -1.125) 1.204 4.794 ( -6.149 -3.550 -3.422) 7.882 4.836 ( 6.445 3.721 -0.234) 7.446 ======================= Grid point 652 (212/288) ======================= q-point: (-0.21 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( 0.114 0.066 -1.585) 1.591 1.216 ( 3.405 1.966 0.691) 3.991 1.482 ( -1.657 -0.957 -4.363) 4.764 1.876 ( 2.302 1.329 -2.152) 3.420 2.097 ( -4.438 -2.562 -0.725) 5.176 3.175 ( -4.867 -2.810 2.994) 6.368 3.779 ( -0.427 -0.246 -0.411) 0.642 3.827 ( 5.313 3.067 11.422) 12.965 3.891 ( -0.647 -0.374 1.346) 1.539 4.157 ( -0.629 -0.363 -1.413) 1.589 4.627 ( -6.203 -3.581 -4.961) 8.713 5.003 ( 7.437 4.294 0.477) 8.601 ======================= Grid point 659 (213/288) ======================= q-point: ( 0.29 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.499 ( -0.000 -0.091 15.375) 15.376 0.826 ( -0.000 8.762 13.038) 15.709 1.206 ( -0.000 8.905 19.789) 21.701 1.290 ( 0.000 1.444 -4.286) 4.523 1.392 ( -0.000 9.601 0.465) 9.612 2.346 ( 0.000 -16.160 -4.144) 16.683 3.718 ( -0.000 0.685 1.067) 1.268 3.857 ( 0.000 -1.396 -1.398) 1.976 3.896 ( -0.000 3.437 -2.063) 4.008 4.052 ( -0.000 18.751 -9.939) 21.222 4.863 ( -0.000 0.809 1.819) 1.991 5.610 ( 0.000 -10.731 0.092) 10.731 ======================= Grid point 660 (214/288) ======================= q-point: ( 0.36 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.605 ( 2.270 7.909 8.014) 11.486 0.853 ( -8.212 9.036 14.038) 18.605 1.280 ( 1.126 1.649 -0.995) 2.232 1.380 ( 2.555 4.984 -0.986) 5.687 1.632 ( 10.596 13.007 6.900) 18.140 2.152 ( -3.859 -6.986 -2.438) 8.345 3.729 ( -0.057 1.198 1.241) 1.726 3.846 ( 1.069 -1.953 -1.672) 2.785 3.959 ( 3.195 3.252 0.745) 4.619 4.249 ( 6.920 9.249 -10.639) 15.704 4.880 ( 0.880 -1.051 2.205) 2.597 5.400 ( -10.208 -10.599 -1.635) 14.806 ======================= Grid point 661 (215/288) ======================= q-point: ( 0.43 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( 0.529 8.290 1.732) 8.485 0.873 ( -3.666 9.816 10.107) 14.558 1.302 ( 0.633 -0.173 -2.051) 2.154 1.477 ( 3.266 6.684 -1.032) 7.510 1.908 ( 5.999 6.887 -2.366) 9.435 2.158 ( 7.654 5.072 2.698) 9.570 3.746 ( -0.146 1.540 1.192) 1.953 3.841 ( 1.027 -1.576 -1.834) 2.627 4.062 ( 3.824 2.908 2.297) 5.325 4.381 ( 5.225 2.765 -7.200) 9.316 4.845 ( -4.064 -8.611 6.788) 11.693 5.097 ( -10.780 -4.180 -7.870) 13.986 ======================= Grid point 662 (216/288) ======================= q-point: ( 0.50 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( 0.808 9.023 1.263) 9.147 0.973 ( 1.106 8.129 2.446) 8.561 1.286 ( -0.799 -1.368 -0.865) 1.805 1.634 ( 5.951 8.590 0.238) 10.453 2.020 ( 3.745 3.329 -1.852) 5.342 2.446 ( 12.807 10.375 0.711) 16.498 3.761 ( -0.173 1.042 1.123) 1.541 3.841 ( 0.933 -0.531 -1.707) 2.017 4.131 ( 0.738 0.626 0.944) 1.351 4.465 ( 4.422 1.093 -3.739) 5.893 4.546 ( -16.177 -10.695 3.501) 19.706 4.984 ( -0.188 -1.248 -4.470) 4.645 ======================= Grid point 663 (217/288) ======================= q-point: ( 0.57 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( 3.646 8.349 2.750) 9.517 1.070 ( 1.403 6.772 -1.691) 7.120 1.257 ( -0.258 -0.950 0.124) 0.992 1.839 ( 6.806 8.750 0.193) 11.087 2.092 ( 1.540 1.852 -1.098) 2.647 2.771 ( 12.227 9.639 0.570) 15.580 3.754 ( -0.971 -2.335 1.188) 2.794 3.854 ( 0.988 0.448 -1.160) 1.588 4.063 ( -10.046 -1.869 2.401) 10.497 4.245 ( -6.578 -2.214 -1.857) 7.185 4.543 ( 4.068 0.748 -2.262) 4.714 4.967 ( 1.065 -3.227 -0.382) 3.419 ======================= Grid point 664 (218/288) ======================= q-point: ( 0.64 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( 1.202 3.014 0.661) 3.312 1.133 ( -0.170 3.771 -2.147) 4.343 1.311 ( 4.524 4.755 -0.012) 6.563 2.004 ( 2.818 1.887 -0.551) 3.436 2.105 ( -1.120 5.359 -1.791) 5.761 3.044 ( 8.727 6.408 2.061) 11.021 3.669 ( -2.749 -6.508 4.051) 8.144 3.872 ( -0.512 2.955 -1.167) 3.218 3.921 ( -6.330 4.455 3.473) 8.484 4.185 ( -0.701 -0.960 -1.756) 2.121 4.616 ( 4.982 0.601 -3.316) 6.015 4.937 ( -0.793 -4.296 0.781) 4.438 ======================= Grid point 665 (219/288) ======================= q-point: ( 0.71 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( 0.907 1.008 -1.338) 1.905 1.154 ( 0.000 2.641 -1.093) 2.858 1.433 ( 3.566 3.596 -3.727) 6.287 1.939 ( -4.346 -3.540 -0.873) 5.673 2.187 ( -0.648 8.614 -1.602) 8.786 3.195 ( 2.933 2.144 2.549) 4.439 3.644 ( 2.933 -2.248 8.126) 8.927 3.888 ( -3.807 7.965 0.989) 8.883 3.906 ( -0.687 0.743 2.369) 2.577 4.166 ( 0.026 -0.938 -1.205) 1.527 4.716 ( 7.086 0.182 -4.122) 8.199 4.850 ( -3.918 -4.476 0.412) 5.963 ======================= Grid point 666 (220/288) ======================= q-point: (-0.21 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( 1.209 0.656 -1.834) 2.293 1.188 ( 1.630 2.359 -0.015) 2.867 1.460 ( 0.189 -0.945 -5.355) 5.441 1.864 ( -0.976 -0.597 0.096) 1.148 2.202 ( -5.593 5.792 -1.542) 8.198 3.219 ( -1.671 -1.223 2.769) 3.458 3.727 ( 4.138 -0.409 5.267) 6.710 3.899 ( -1.829 0.981 4.681) 5.121 3.927 ( -1.534 7.659 2.337) 8.153 4.155 ( -0.045 -0.602 -1.333) 1.463 4.678 ( -5.768 -5.040 -5.006) 9.151 4.881 ( 8.648 0.520 0.250) 8.668 ======================= Grid point 674 (221/288) ======================= q-point: ( 0.36 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( -0.000 13.069 3.203) 13.456 1.020 ( -0.000 3.977 5.021) 6.406 1.341 ( -0.000 6.685 -2.637) 7.186 1.375 ( -0.000 3.254 2.129) 3.889 1.717 ( -0.000 16.493 8.405) 18.511 2.099 ( 0.000 -5.995 -4.143) 7.287 3.742 ( -0.000 1.216 0.733) 1.420 3.820 ( 0.000 -1.421 -0.911) 1.688 3.955 ( -0.000 3.100 0.600) 3.158 4.262 ( -0.000 8.272 -6.466) 10.499 4.857 ( 0.000 -4.138 2.987) 5.103 5.373 ( 0.000 -10.107 -4.546) 11.082 ======================= Grid point 675 (222/288) ======================= q-point: ( 0.43 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( -1.078 12.094 -2.206) 12.340 1.041 ( -2.037 3.874 3.318) 5.493 1.328 ( -3.265 2.801 0.210) 4.307 1.488 ( 3.826 7.106 -1.549) 8.217 1.916 ( 2.052 9.754 -0.753) 9.996 2.105 ( 5.021 6.099 2.118) 8.179 3.768 ( 0.581 1.936 0.825) 2.183 3.799 ( 0.178 -1.657 -1.088) 1.991 4.030 ( 3.907 2.753 2.179) 5.253 4.329 ( 2.144 3.817 -4.024) 5.946 4.798 ( -0.492 -10.348 4.640) 11.351 5.199 ( -7.689 -5.023 -7.899) 12.113 ======================= Grid point 676 (223/288) ======================= q-point: ( 0.50 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( -0.571 9.908 -4.592) 10.936 1.074 ( -1.084 6.027 2.476) 6.605 1.296 ( -2.043 -0.329 0.577) 2.149 1.642 ( 4.528 9.931 -0.177) 10.916 2.001 ( 2.393 4.382 -1.158) 5.126 2.366 ( 9.746 13.776 0.766) 16.892 3.780 ( -0.350 -0.099 0.849) 0.924 3.808 ( 1.349 0.493 -1.597) 2.147 4.121 ( 2.289 1.555 1.573) 3.183 4.393 ( 3.747 1.128 -1.323) 4.130 4.634 ( -5.978 -13.878 3.597) 15.533 5.013 ( -6.644 -0.566 -7.307) 9.892 ======================= Grid point 677 (224/288) ======================= q-point: ( 0.57 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( 2.364 10.424 1.204) 10.756 1.128 ( -0.245 6.484 -0.501) 6.508 1.255 ( -1.399 -1.578 0.582) 2.188 1.832 ( 5.261 9.892 0.236) 11.206 2.088 ( 2.372 4.365 0.432) 4.986 2.680 ( 10.544 12.698 -0.564) 16.514 3.762 ( -1.621 -2.330 1.714) 3.316 3.828 ( 1.495 0.577 -2.987) 3.390 4.132 ( -1.507 -0.770 0.343) 1.727 4.386 ( -9.997 -4.999 -0.004) 11.177 4.474 ( 4.261 0.508 -0.089) 4.292 4.914 ( -1.035 -3.634 -2.462) 4.510 ======================= Grid point 678 (225/288) ======================= q-point: ( 0.64 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( -1.736 5.612 4.358) 7.314 1.172 ( -1.051 2.324 -1.279) 2.854 1.287 ( 4.439 5.884 -0.374) 7.380 1.981 ( 2.587 2.928 -0.072) 3.908 2.180 ( 1.013 9.629 -0.178) 9.684 2.965 ( 9.258 8.770 0.799) 12.777 3.675 ( -3.605 -5.245 1.947) 6.656 3.860 ( 2.273 0.845 -2.815) 3.716 4.084 ( -3.401 0.893 2.210) 4.153 4.231 ( -6.720 2.631 -1.273) 7.327 4.538 ( 3.267 0.112 -1.800) 3.732 4.874 ( 1.740 -5.911 0.337) 6.171 ======================= Grid point 679 (226/288) ======================= q-point: ( 0.71 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( -2.040 1.303 0.698) 2.519 1.190 ( -0.858 3.669 0.896) 3.873 1.416 ( 2.617 4.783 -1.255) 5.595 1.966 ( -2.773 -2.841 -0.476) 3.999 2.311 ( -0.687 13.877 -1.381) 13.963 3.161 ( 5.166 3.485 2.144) 6.590 3.610 ( 0.593 -2.436 4.850) 5.460 3.898 ( 1.770 0.628 -1.940) 2.700 4.068 ( -3.076 5.323 3.522) 7.085 4.164 ( -3.584 1.670 -1.412) 4.199 4.592 ( 4.625 -0.926 -3.067) 5.626 4.836 ( 0.054 -5.691 0.366) 5.703 ======================= Grid point 680 (227/288) ======================= q-point: (-0.21 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( -0.243 1.383 -0.266) 1.429 1.211 ( -0.949 3.103 0.946) 3.380 1.446 ( -0.727 -0.211 -2.941) 3.036 1.888 ( -2.499 -1.300 0.469) 2.856 2.384 ( -5.705 11.630 -1.809) 13.079 3.229 ( 0.546 -0.601 2.453) 2.584 3.672 ( 4.495 0.750 5.536) 7.170 3.912 ( 0.263 -0.547 -0.727) 0.947 4.098 ( -4.300 10.333 3.774) 11.811 4.130 ( 0.552 -1.782 -1.361) 2.310 4.642 ( 3.046 -4.341 -4.479) 6.941 4.780 ( 0.845 -2.866 0.584) 3.044 ======================= Grid point 689 (228/288) ======================= q-point: ( 0.43 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( -0.000 11.691 -4.427) 12.501 1.063 ( 0.000 0.566 -1.857) 1.941 1.391 ( 0.000 -1.372 -3.019) 3.317 1.513 ( -0.000 10.362 -0.521) 10.375 1.964 ( -0.000 3.288 -3.387) 4.721 2.186 ( -0.000 17.115 5.042) 17.842 3.773 ( -0.000 0.511 1.261) 1.360 3.796 ( 0.000 0.473 -1.164) 1.256 4.024 ( -0.000 2.557 3.173) 4.075 4.341 ( -0.000 2.409 -1.107) 2.651 4.693 ( 0.000 -14.008 3.408) 14.416 5.200 ( 0.000 -2.661 -8.860) 9.251 ======================= Grid point 690 (229/288) ======================= q-point: ( 0.50 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( -2.187 6.408 -6.808) 9.602 1.110 ( 2.119 4.405 -2.475) 5.479 1.334 ( -2.221 -1.705 -1.702) 3.277 1.661 ( 4.310 10.173 -0.826) 11.080 2.000 ( 1.799 2.835 -0.735) 3.437 2.419 ( 3.620 19.014 1.624) 19.423 3.770 ( -0.061 -0.821 0.182) 0.844 3.814 ( 0.195 2.114 -0.190) 2.132 4.092 ( 3.159 1.829 2.982) 4.714 4.357 ( 0.995 -0.802 0.636) 1.427 4.547 ( -0.874 -13.920 1.485) 14.027 5.104 ( -5.694 -0.656 -7.715) 9.610 ======================= Grid point 691 (230/288) ======================= q-point: ( 0.57 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( 3.430 6.860 -2.210) 7.981 1.177 ( 1.060 5.421 -2.868) 6.223 1.278 ( -2.081 -1.748 -0.080) 2.719 1.842 ( 4.776 9.188 -0.265) 10.358 2.081 ( 3.939 3.665 1.079) 5.487 2.682 ( 5.527 16.767 -0.760) 17.671 3.764 ( -0.328 -0.939 0.794) 1.272 3.818 ( -0.898 0.193 -1.693) 1.926 4.143 ( -0.011 0.113 0.128) 0.171 4.358 ( 3.619 -8.454 0.643) 9.219 4.449 ( -0.189 -1.084 1.793) 2.104 4.957 ( -7.248 -1.308 -4.785) 8.783 ======================= Grid point 692 (231/288) ======================= q-point: ( 0.64 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( 1.706 0.902 1.169) 2.256 1.230 ( -1.832 2.032 1.674) 3.208 1.276 ( 4.188 8.011 -2.244) 9.314 1.970 ( 2.115 2.814 0.569) 3.566 2.232 ( 5.550 9.706 0.828) 11.211 2.927 ( 6.077 11.662 -0.627) 13.165 3.698 ( -4.005 -4.035 -0.326) 5.694 3.816 ( 1.484 0.239 -2.200) 2.665 4.113 ( -1.606 -1.129 0.080) 1.965 4.345 ( -0.027 -0.013 0.180) 0.183 4.491 ( 2.422 0.929 0.822) 2.722 4.818 ( -3.744 -4.133 -1.524) 5.781 ======================= Grid point 693 (232/288) ======================= q-point: ( 0.71 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( -1.332 -0.913 0.010) 1.615 1.257 ( -0.689 3.870 1.912) 4.372 1.418 ( 2.868 5.162 -0.133) 5.906 1.977 ( -1.338 -1.944 0.273) 2.376 2.447 ( 3.294 15.326 -0.019) 15.676 3.108 ( 5.105 4.469 0.742) 6.825 3.606 ( -1.686 -2.137 0.929) 2.876 3.844 ( 2.542 -0.585 -2.573) 3.664 4.084 ( -0.385 -1.429 1.159) 1.880 4.337 ( -5.250 6.645 0.815) 8.507 4.528 ( 1.603 -0.186 -1.182) 2.000 4.750 ( 1.679 -5.907 -0.139) 6.143 ======================= Grid point 694 (233/288) ======================= q-point: ( 0.79 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( -0.631 0.030 0.090) 0.638 1.282 ( -1.710 3.876 1.999) 4.685 1.454 ( -1.039 -0.410 -1.200) 1.639 1.920 ( -2.375 -1.521 0.417) 2.851 2.607 ( -3.803 15.524 -0.849) 16.005 3.195 ( 2.960 -1.609 1.659) 3.756 3.626 ( 3.407 1.542 3.177) 4.907 3.867 ( 2.453 -2.171 -3.189) 4.571 4.077 ( 1.138 -2.192 0.454) 2.511 4.315 ( -6.290 9.189 2.409) 11.393 4.543 ( 2.060 -2.445 -1.534) 3.546 4.731 ( 1.644 -4.307 -0.878) 4.693 ======================= Grid point 704 (234/288) ======================= q-point: ( 0.50 0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( 0.000 0.505 -2.881) 2.925 1.111 ( 0.000 6.341 -10.551) 12.309 1.317 ( 0.000 -2.660 -2.695) 3.787 1.721 ( -0.000 10.481 -0.915) 10.521 2.004 ( -0.000 1.558 1.145) 1.934 2.596 ( -0.000 20.218 0.251) 20.220 3.765 ( 0.000 -0.641 0.187) 0.667 3.837 ( -0.000 2.753 -0.027) 2.753 4.092 ( -0.000 1.419 4.809) 5.014 4.304 ( 0.000 -9.318 -2.337) 9.607 4.451 ( 0.000 -5.331 2.308) 5.809 5.124 ( 0.000 -0.961 -6.746) 6.815 ======================= Grid point 705 (235/288) ======================= q-point: ( 0.57 0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( 1.659 2.713 -2.337) 3.947 1.164 ( 3.599 2.592 -7.889) 9.050 1.286 ( -0.968 -0.401 -1.192) 1.587 1.856 ( 3.623 9.284 -0.771) 9.995 2.042 ( 2.851 0.570 2.230) 3.664 2.803 ( 1.444 18.096 -1.368) 18.205 3.765 ( 0.194 -0.137 0.522) 0.573 3.847 ( -1.877 1.375 -0.751) 2.445 4.134 ( 2.322 -0.799 3.787) 4.513 4.193 ( 1.599 -9.537 -5.696) 11.223 4.448 ( 0.528 0.442 4.394) 4.447 5.046 ( -5.103 -1.620 -4.811) 7.198 ======================= Grid point 706 (236/288) ======================= q-point: ( 0.64 0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( 3.822 1.248 1.194) 4.194 1.219 ( 3.121 -0.898 -3.476) 4.757 1.298 ( 1.462 6.142 -1.366) 6.460 1.969 ( 1.289 2.292 1.314) 2.940 2.173 ( 9.245 5.567 0.432) 10.801 2.989 ( 1.882 13.587 -1.524) 13.801 3.726 ( -3.642 -2.726 -2.868) 5.378 3.821 ( -1.090 1.608 0.738) 2.078 4.130 ( -1.437 -0.718 -1.904) 2.491 4.214 ( 8.910 -4.614 -0.346) 10.040 4.487 ( 0.712 1.859 3.508) 4.034 4.901 ( -7.559 -2.110 -2.348) 8.192 ======================= Grid point 707 (237/288) ======================= q-point: ( 0.71 0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( -0.094 -1.486 0.012) 1.489 1.270 ( 2.770 1.597 -0.879) 3.316 1.415 ( 3.292 4.612 0.609) 5.699 1.974 ( -0.472 -2.157 0.886) 2.379 2.446 ( 11.775 10.219 0.203) 15.592 3.116 ( 0.718 7.090 -0.759) 7.167 3.625 ( -2.923 -1.381 -3.128) 4.498 3.826 ( -0.854 1.176 1.160) 1.859 4.091 ( -1.566 -0.940 -0.285) 1.849 4.344 ( 8.293 -0.588 -0.714) 8.345 4.517 ( -0.007 1.053 1.030) 1.473 4.750 ( -6.346 -1.903 -0.121) 6.626 ======================= Grid point 708 (238/288) ======================= q-point: ( 0.79 0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( -0.370 -0.642 -0.000) 0.741 1.324 ( 1.324 2.292 -0.000) 2.647 1.460 ( -0.591 -1.023 -0.000) 1.181 1.935 ( -1.195 -2.069 -0.000) 2.389 2.746 ( 7.613 13.185 -0.000) 15.225 3.140 ( -0.796 -1.378 -0.000) 1.592 3.609 ( 1.393 2.413 0.000) 2.786 3.816 ( -0.645 -1.118 -0.000) 1.291 4.058 ( -0.798 -1.382 -0.000) 1.596 4.452 ( 1.961 3.396 -0.000) 3.921 4.513 ( -0.612 -1.060 0.000) 1.224 4.664 ( -1.036 -1.794 -0.000) 2.072 ======================= Grid point 720 (239/288) ======================= q-point: ( 0.57 0.57 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( -0.000 1.065 -1.126) 1.550 1.103 ( 0.000 0.126 -7.932) 7.933 1.298 ( -0.000 1.827 -1.589) 2.421 1.912 ( -0.000 8.938 -0.791) 8.973 2.020 ( -0.000 -1.933 3.805) 4.268 2.958 ( -0.000 15.687 -2.507) 15.886 3.761 ( -0.000 0.088 0.275) 0.289 3.888 ( -0.000 2.253 -0.409) 2.290 4.015 ( 0.000 -10.033 -4.923) 11.176 4.163 ( -0.000 1.011 -0.937) 1.378 4.474 ( -0.000 2.391 6.326) 6.763 5.053 ( 0.000 -3.131 -3.865) 4.974 ======================= Grid point 721 (240/288) ======================= q-point: ( 0.64 0.57 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( 3.164 1.529 1.033) 3.662 1.121 ( 4.078 -1.156 -4.079) 5.883 1.323 ( 0.858 3.766 -1.012) 3.993 1.979 ( -0.362 0.087 2.260) 2.291 2.075 ( 6.826 3.949 0.952) 7.943 3.091 ( 0.554 11.335 -2.635) 11.650 3.751 ( -2.261 -0.782 -3.261) 4.044 3.862 ( -1.286 0.906 -0.385) 1.620 4.003 ( 7.114 -3.429 -5.055) 9.377 4.158 ( -1.095 0.018 0.359) 1.152 4.527 ( -0.336 3.955 5.924) 7.131 4.968 ( -4.018 -4.044 -2.283) 6.141 ======================= Grid point 722 (241/288) ======================= q-point: ( 0.71 0.57 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( 1.613 -1.336 -0.409) 2.134 1.201 ( 4.941 0.773 -1.522) 5.227 1.403 ( 2.955 3.534 1.476) 4.838 1.956 ( -0.350 -3.435 1.419) 3.733 2.301 ( 12.512 5.884 0.785) 13.849 3.181 ( 0.063 6.400 -2.005) 6.707 3.663 ( -3.792 0.324 -6.418) 7.462 3.877 ( -0.999 2.202 2.431) 3.429 4.103 ( 3.259 0.161 -3.658) 4.902 4.152 ( 5.806 -2.215 0.763) 6.261 4.561 ( -1.941 3.266 3.509) 5.172 4.840 ( -5.458 -3.211 -0.461) 6.349 ======================= Grid point 736 (242/288) ======================= q-point: ( 0.64 0.64 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( -0.000 0.613 0.019) 0.613 1.082 ( -0.000 1.330 1.030) 1.682 1.347 ( -0.000 3.275 0.326) 3.291 1.972 ( 0.000 -4.866 3.477) 5.981 2.060 ( -0.000 5.740 0.148) 5.742 3.172 ( -0.000 7.324 -2.976) 7.905 3.770 ( -0.000 0.455 0.713) 0.846 3.845 ( 0.000 -1.078 -11.559) 11.609 3.916 ( 0.000 0.936 -1.370) 1.659 4.168 ( 0.000 -0.391 0.356) 0.528 4.607 ( -0.000 6.221 6.901) 9.292 4.944 ( 0.000 -5.956 -1.745) 6.206 ======================= Grid point 738 (243/288) ======================= q-point: (-0.29 -0.36 -0.79) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( 1.321 0.436 0.314) 1.426 1.142 ( 3.222 1.641 1.376) 3.869 1.400 ( 1.669 2.901 3.119) 4.575 1.927 ( -0.320 -4.533 1.552) 4.802 2.174 ( 7.386 3.542 1.116) 8.267 3.220 ( 0.243 3.602 -2.649) 4.477 3.719 ( -3.875 1.528 -7.203) 8.321 3.889 ( 3.565 1.779 -0.049) 3.984 3.945 ( 5.206 -0.324 -5.218) 7.378 4.156 ( -1.033 -0.453 0.876) 1.428 4.667 ( -2.777 5.426 5.973) 8.534 4.858 ( -2.143 -5.260 -1.078) 5.781 ======================= Grid point 753 (244/288) ======================= q-point: (-0.29 -0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( -0.000 1.034 2.049) 2.295 1.130 ( -0.000 3.503 2.094) 4.081 1.429 ( -0.000 2.598 5.928) 6.472 1.889 ( 0.000 -3.802 0.608) 3.851 2.133 ( -0.000 0.866 1.003) 1.325 3.232 ( 0.000 1.051 -2.765) 2.958 3.781 ( -0.000 0.026 0.767) 0.767 3.806 ( 0.000 4.025 -13.334) 13.929 3.911 ( 0.000 -0.185 -1.844) 1.853 4.161 ( -0.000 -0.600 0.983) 1.152 4.742 ( -0.000 -3.469 6.803) 7.637 4.846 ( -0.000 3.559 -1.490) 3.858 ======================= Grid point 860 (245/288) ======================= q-point: ( 0.29 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( -0.000 -0.000 15.875) 15.875 0.705 ( -0.000 -0.000 15.875) 15.875 1.167 ( -0.000 -0.000 29.497) 29.497 1.274 ( 0.000 0.000 -4.268) 4.268 1.274 ( 0.000 0.000 -4.268) 4.268 2.564 ( 0.000 0.000 -16.671) 16.671 3.714 ( -0.000 -0.000 1.490) 1.490 3.714 ( -0.000 -0.000 1.490) 1.490 3.873 ( 0.000 0.000 -1.740) 1.740 3.873 ( 0.000 0.000 -1.740) 1.740 4.857 ( -0.000 -0.000 2.090) 2.090 5.736 ( 0.000 0.000 -0.434) 0.434 ======================= Grid point 861 (246/288) ======================= q-point: ( 0.36 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.656 ( -1.774 -1.024 16.196) 16.325 0.777 ( -2.552 -1.473 18.316) 18.551 1.251 ( 1.934 1.117 -1.007) 2.450 1.302 ( 2.558 1.477 -3.347) 4.464 1.454 ( 12.593 7.270 13.572) 19.891 2.303 ( -11.894 -6.867 -7.751) 15.771 3.720 ( 0.155 0.090 1.503) 1.514 3.871 ( -0.122 -0.071 -1.947) 1.952 3.899 ( 3.507 2.025 -0.109) 4.051 3.988 ( 16.094 9.292 -9.064) 20.676 4.877 ( 1.136 0.656 1.598) 2.067 5.596 ( -11.373 -6.566 0.470) 13.141 ======================= Grid point 862 (247/288) ======================= q-point: ( 0.43 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.725 ( 3.464 2.000 12.191) 12.830 0.759 ( -3.351 -1.934 15.423) 15.900 1.287 ( 1.646 0.950 -4.424) 4.815 1.374 ( 4.525 2.613 -1.871) 5.550 1.766 ( 10.772 6.219 2.412) 12.670 2.129 ( -0.593 -0.343 -0.459) 0.825 3.730 ( 0.360 0.208 1.259) 1.326 3.858 ( -0.395 -0.228 -1.965) 2.017 4.007 ( 5.059 2.921 1.947) 6.158 4.260 ( 9.750 5.629 -10.244) 15.221 4.913 ( 1.292 0.746 1.789) 2.330 5.255 ( -17.169 -9.913 -0.621) 19.835 ======================= Grid point 863 (248/288) ======================= q-point: ( 0.50 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( -0.019 -0.011 7.843) 7.843 0.860 ( 5.041 2.910 6.191) 8.498 1.296 ( 0.006 0.004 -2.018) 2.018 1.505 ( 7.139 4.122 -0.165) 8.245 1.943 ( 5.694 3.287 -2.497) 7.033 2.280 ( 11.566 6.678 1.498) 13.439 3.745 ( 0.548 0.316 1.020) 1.200 3.846 ( -0.043 -0.025 -1.729) 1.729 4.110 ( 2.856 1.649 1.064) 3.465 4.404 ( 5.588 3.226 -6.151) 8.915 4.791 ( -19.215 -11.094 4.725) 22.685 4.976 ( 0.638 0.368 -4.075) 4.141 ======================= Grid point 864 (249/288) ======================= q-point: ( 0.57 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( 6.239 3.602 4.735) 8.621 0.978 ( 3.887 2.244 1.629) 4.775 1.277 ( -1.157 -0.668 0.003) 1.336 1.696 ( 8.966 5.176 0.594) 10.370 2.048 ( 3.682 2.126 -1.780) 4.609 2.592 ( 14.237 8.219 0.550) 16.448 3.759 ( 0.467 0.270 0.310) 0.622 3.851 ( 0.817 0.472 -0.630) 1.134 4.127 ( -2.939 -1.697 1.598) 3.751 4.345 ( -15.183 -8.766 -2.224) 17.672 4.507 ( 3.077 1.777 -2.199) 4.179 4.997 ( 0.699 0.403 0.597) 1.004 ======================= Grid point 865 (250/288) ======================= q-point: ( 0.64 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( 6.003 3.466 1.317) 7.055 1.052 ( 2.524 1.457 -0.697) 2.996 1.268 ( 1.175 0.679 1.219) 1.824 1.903 ( 8.309 4.797 0.150) 9.595 2.081 ( -0.625 -0.361 -2.527) 2.628 2.912 ( 12.372 7.143 2.029) 14.429 3.769 ( 0.480 0.277 -0.606) 0.821 3.875 ( 1.115 0.644 0.904) 1.573 3.896 ( -12.609 -7.280 5.749) 15.653 4.193 ( -0.963 -0.556 -2.392) 2.638 4.575 ( 3.657 2.111 -4.159) 5.927 4.995 ( -1.451 -0.838 1.826) 2.478 ======================= Grid point 866 (251/288) ======================= q-point: ( 0.71 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( 1.781 1.028 -1.935) 2.824 1.095 ( 1.561 0.901 -1.711) 2.485 1.352 ( 4.832 2.790 -0.961) 5.661 2.002 ( -4.874 -2.814 -2.884) 6.324 2.063 ( 5.295 3.057 -0.570) 6.141 3.144 ( 6.427 3.710 2.861) 7.953 3.740 ( -2.563 -1.480 10.628) 11.033 3.778 ( 0.444 0.256 -0.915) 1.048 3.901 ( 0.587 0.339 1.759) 1.885 4.175 ( -0.474 -0.273 -1.009) 1.148 4.664 ( 5.476 3.162 -5.097) 8.122 4.930 ( -4.657 -2.689 1.124) 5.494 ======================= Grid point 875 (252/288) ======================= q-point: ( 0.36 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( -0.000 -4.116 17.038) 17.529 0.937 ( -0.000 6.494 10.414) 12.273 1.244 ( 0.000 1.754 -5.475) 5.749 1.297 ( -0.000 4.119 -0.558) 4.156 1.480 ( -0.000 10.785 18.232) 21.183 2.276 ( 0.000 -12.457 -10.412) 16.235 3.728 ( -0.000 0.454 1.182) 1.266 3.844 ( 0.000 -1.176 -1.248) 1.715 3.877 ( -0.000 5.197 -1.623) 5.445 3.982 ( -0.000 14.769 -5.439) 15.739 4.879 ( -0.000 0.708 1.575) 1.727 5.609 ( 0.000 -11.234 -0.274) 11.237 ======================= Grid point 876 (253/288) ======================= q-point: ( 0.43 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.703 ( 1.214 1.238 12.166) 12.289 0.966 ( -5.473 5.370 9.502) 12.210 1.257 ( 0.659 2.810 -3.265) 4.358 1.361 ( 1.977 5.374 -3.129) 6.526 1.706 ( 6.398 9.857 8.358) 14.420 2.118 ( -1.373 -5.184 -4.634) 7.088 3.741 ( 0.061 1.054 1.227) 1.619 3.830 ( 0.735 -1.751 -1.652) 2.517 3.969 ( 4.202 3.807 1.402) 5.840 4.161 ( 5.969 10.749 -7.983) 14.660 4.897 ( 1.071 -0.109 1.594) 1.923 5.387 ( -10.294 -12.993 -1.166) 16.618 ======================= Grid point 877 (254/288) ======================= q-point: ( 0.50 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( 0.557 2.463 4.021) 4.748 0.961 ( -4.167 6.887 7.852) 11.245 1.285 ( 0.482 1.331 -1.106) 1.796 1.466 ( 4.104 7.188 -1.156) 8.358 1.890 ( 4.434 5.817 -1.243) 7.419 2.176 ( 8.192 5.558 1.027) 9.952 3.757 ( -0.169 1.545 1.198) 1.962 3.823 ( 0.977 -1.560 -2.006) 2.723 4.082 ( 3.435 2.908 1.695) 4.809 4.319 ( 5.808 4.969 -5.703) 9.537 4.907 ( -0.778 -6.407 6.093) 8.876 5.029 ( -13.742 -7.714 -6.288) 16.968 ======================= Grid point 878 (255/288) ======================= q-point: ( 0.57 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( 2.872 6.767 2.733) 7.843 1.009 ( -1.026 6.386 4.631) 7.955 1.284 ( -0.776 -0.778 0.447) 1.186 1.638 ( 6.213 8.722 0.535) 10.722 2.006 ( 3.828 3.988 -1.180) 5.652 2.449 ( 12.622 9.924 -0.069) 16.057 3.771 ( -0.464 1.329 1.070) 1.768 3.824 ( 1.445 -0.835 -1.781) 2.441 4.137 ( 0.536 0.608 0.210) 0.838 4.427 ( 2.918 1.981 -4.153) 5.448 4.570 ( -16.152 -10.859 1.422) 19.515 4.963 ( 1.915 -1.557 0.013) 2.468 ======================= Grid point 879 (256/288) ======================= q-point: ( 0.64 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( 3.602 8.627 4.150) 10.229 1.066 ( -0.166 5.062 1.137) 5.191 1.262 ( -0.001 -0.875 0.959) 1.298 1.842 ( 6.587 8.493 0.540) 10.761 2.079 ( 0.971 2.323 -1.622) 2.995 2.779 ( 12.999 9.666 1.025) 16.231 3.765 ( -1.094 -1.170 0.871) 1.823 3.844 ( 1.813 -0.583 -0.741) 2.044 4.092 ( -8.389 -2.201 3.830) 9.481 4.218 ( -7.195 -1.788 -3.679) 8.276 4.518 ( 3.091 1.056 -2.972) 4.416 4.976 ( 1.709 -3.559 2.100) 4.472 ======================= Grid point 880 (257/288) ======================= q-point: ( 0.71 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( -1.079 3.143 2.521) 4.171 1.114 ( -0.101 4.248 -1.821) 4.623 1.315 ( 3.686 3.631 0.773) 5.231 1.996 ( 1.872 1.076 -1.232) 2.486 2.088 ( -0.936 6.344 -1.794) 6.659 3.066 ( 9.192 6.332 2.593) 11.459 3.712 ( -0.742 -5.264 4.658) 7.068 3.863 ( 0.175 1.637 -0.628) 1.762 3.958 ( -6.526 4.645 4.331) 9.106 4.168 ( -0.098 -0.892 -1.570) 1.808 4.578 ( 4.421 1.055 -4.801) 6.611 4.949 ( -1.028 -4.770 1.766) 5.190 ======================= Grid point 890 (258/288) ======================= q-point: ( 0.43 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( -0.000 6.401 7.968) 10.220 1.045 ( -0.000 0.988 -0.060) 0.989 1.321 ( -0.000 8.203 -1.255) 8.298 1.365 ( 0.000 3.023 -3.725) 4.797 1.796 ( -0.000 11.299 7.204) 13.400 2.060 ( 0.000 -2.593 -3.250) 4.158 3.750 ( -0.000 1.145 0.864) 1.434 3.813 ( 0.000 -1.347 -0.613) 1.480 3.966 ( -0.000 4.094 1.838) 4.488 4.207 ( -0.000 10.120 -5.143) 11.352 4.883 ( 0.000 -2.635 2.638) 3.729 5.333 ( 0.000 -13.430 -4.059) 14.030 ======================= Grid point 891 (259/288) ======================= q-point: ( 0.50 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( -2.287 6.554 -0.354) 6.951 1.053 ( 0.360 1.959 -0.501) 2.054 1.326 ( -2.463 2.625 -0.795) 3.686 1.470 ( 4.275 8.046 -1.931) 9.314 1.905 ( 1.227 6.311 -1.446) 6.589 2.130 ( 4.751 8.889 3.091) 10.542 3.774 ( 0.624 1.655 0.404) 1.814 3.792 ( -0.218 -1.289 -0.447) 1.382 4.053 ( 3.813 3.053 2.747) 5.604 4.295 ( 1.890 6.203 -3.152) 7.210 4.844 ( 0.219 -9.850 5.106) 11.097 5.126 ( -7.958 -7.309 -7.682) 13.257 ======================= Grid point 892 (260/288) ======================= q-point: ( 0.57 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( 1.333 8.386 -3.302) 9.111 1.092 ( 0.166 3.840 1.251) 4.042 1.304 ( -1.706 -0.342 0.791) 1.912 1.641 ( 5.099 10.044 -0.102) 11.265 1.994 ( 2.840 5.193 -0.471) 5.938 2.372 ( 8.690 13.199 0.371) 15.807 3.784 ( 0.712 -0.889 -0.080) 1.142 3.798 ( -0.013 1.325 -0.443) 1.397 4.133 ( 1.450 1.223 0.891) 2.095 4.383 ( 3.524 3.294 -0.696) 4.873 4.665 ( -7.215 -15.890 2.720) 17.662 4.954 ( -4.264 -0.069 -4.771) 6.399 ======================= Grid point 893 (261/288) ======================= q-point: ( 0.64 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( 4.946 11.241 0.385) 12.287 1.136 ( -0.289 4.131 1.638) 4.453 1.264 ( -1.594 -1.719 1.106) 2.592 1.835 ( 5.326 9.561 0.364) 10.950 2.091 ( 2.036 5.167 0.073) 5.554 2.677 ( 10.929 12.529 -0.170) 16.627 3.778 ( -1.592 -2.382 1.512) 3.240 3.802 ( 1.530 0.180 -2.241) 2.720 4.136 ( -0.955 -0.887 0.493) 1.393 4.380 ( -10.759 -3.875 -1.146) 11.493 4.471 ( 2.940 0.518 -0.486) 3.025 4.904 ( 0.865 -4.303 0.376) 4.406 ======================= Grid point 894 (262/288) ======================= q-point: ( 0.71 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( -1.164 3.454 -1.403) 3.906 1.182 ( -2.111 4.432 4.249) 6.492 1.289 ( 4.665 4.934 0.633) 6.820 1.978 ( 2.143 2.839 -0.654) 3.616 2.177 ( 0.302 10.118 -0.377) 10.129 2.975 ( 10.158 8.630 1.305) 13.393 3.698 ( -2.338 -5.462 2.907) 6.614 3.836 ( 2.521 0.400 -2.195) 3.367 4.107 ( -1.720 -0.117 2.624) 3.140 4.219 ( -7.712 4.064 -1.173) 8.796 4.517 ( 2.224 0.711 -2.688) 3.561 4.882 ( 2.120 -6.594 1.507) 7.089 ======================= Grid point 906 (263/288) ======================= q-point: ( 0.50 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( -0.000 7.324 -4.286) 8.486 1.034 ( 0.000 0.350 -4.279) 4.293 1.351 ( 0.000 -1.179 -5.040) 5.177 1.508 ( -0.000 10.200 -0.438) 10.209 1.938 ( -0.000 4.445 -2.148) 4.937 2.232 ( -0.000 15.390 4.520) 16.040 3.784 ( 0.000 -0.478 -1.214) 1.305 3.788 ( -0.000 1.412 1.651) 2.172 4.057 ( -0.000 3.065 3.787) 4.872 4.331 ( -0.000 4.279 -0.669) 4.331 4.729 ( 0.000 -15.895 4.174) 16.434 5.116 ( 0.000 -2.499 -8.797) 9.145 ======================= Grid point 907 (264/288) ======================= q-point: ( 0.57 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( -1.422 6.820 -7.220) 10.033 1.085 ( 3.553 2.312 -3.021) 5.205 1.315 ( -0.723 -1.698 -2.287) 2.939 1.653 ( 4.415 10.177 -0.942) 11.133 1.996 ( 2.031 4.214 -0.106) 4.680 2.434 ( 2.804 17.417 1.438) 17.700 3.775 ( 0.045 -0.572 0.702) 0.906 3.810 ( -0.123 1.871 -0.394) 1.916 4.118 ( 1.923 1.744 2.322) 3.483 4.367 ( 1.354 0.122 1.756) 2.220 4.562 ( -0.928 -15.836 1.589) 15.943 5.035 ( -4.994 0.402 -6.661) 8.335 ======================= Grid point 908 (265/288) ======================= q-point: ( 0.64 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( 5.612 9.367 -1.680) 11.048 1.154 ( 2.141 3.056 -2.145) 4.304 1.274 ( -1.224 -2.153 -0.796) 2.601 1.839 ( 5.195 9.295 -0.376) 10.655 2.089 ( 3.911 4.142 0.494) 5.718 2.677 ( 5.325 16.196 -0.294) 17.052 3.776 ( -0.254 -1.050 1.570) 1.905 3.801 ( -1.522 -0.027 -1.620) 2.223 4.141 ( -0.458 -0.560 -0.419) 0.836 4.368 ( 3.309 -10.289 1.353) 10.893 4.463 ( -0.547 0.960 1.224) 1.649 4.920 ( -5.858 -0.920 -2.997) 6.644 ======================= Grid point 909 (266/288) ======================= q-point: ( 0.71 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( 0.134 0.232 -0.000) 0.267 1.241 ( 0.097 0.168 -0.000) 0.194 1.262 ( 5.750 9.960 0.000) 11.501 1.973 ( 1.895 3.282 -0.000) 3.790 2.236 ( 5.503 9.532 -0.000) 11.007 2.924 ( 6.613 11.454 -0.000) 13.226 3.697 ( -3.119 -5.403 -0.000) 6.239 3.805 ( 0.589 1.021 -0.000) 1.179 4.114 ( -0.802 -1.389 -0.000) 1.604 4.346 ( 0.002 0.003 -0.000) 0.004 4.494 ( 0.918 1.589 -0.000) 1.835 4.811 ( -2.557 -4.429 -0.000) 5.114 ======================= Grid point 922 (267/288) ======================= q-point: ( 0.57 0.57 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 0.000 5.382 -11.311) 12.526 1.026 ( 0.000 1.351 -3.083) 3.367 1.295 ( 0.000 -1.473 -1.893) 2.399 1.712 ( -0.000 10.393 -0.972) 10.439 2.017 ( -0.000 3.008 1.499) 3.360 2.598 ( -0.000 18.472 -0.002) 18.472 3.765 ( 0.000 -0.506 -0.134) 0.523 3.839 ( -0.000 2.471 0.395) 2.502 4.130 ( -0.000 1.986 2.755) 3.396 4.292 ( 0.000 -14.340 0.351) 14.345 4.473 ( 0.000 -2.623 2.118) 3.371 5.064 ( 0.000 0.201 -5.831) 5.834 ======================= Grid point 923 (268/288) ======================= q-point: ( 0.64 0.57 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( 3.200 5.733 -2.853) 7.159 1.098 ( 4.913 1.658 -5.691) 7.699 1.273 ( -0.826 -0.297 -1.332) 1.595 1.849 ( 3.893 9.629 -0.766) 10.414 2.062 ( 2.210 1.374 2.031) 3.301 2.790 ( 1.597 17.052 -1.309) 17.177 3.769 ( 0.266 -0.794 0.071) 0.840 3.841 ( -2.164 1.349 -0.230) 2.561 4.133 ( 0.520 -4.936 -4.613) 6.776 4.181 ( 3.554 -8.353 3.817) 9.848 4.487 ( 0.006 1.950 3.750) 4.227 5.005 ( -4.571 -0.668 -3.861) 6.021 ======================= Grid point 939 (269/288) ======================= q-point: (-0.36 -0.36 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( 0.000 3.623 -5.159) 6.304 1.050 ( -0.000 1.987 -0.256) 2.003 1.282 ( -0.000 1.624 -1.664) 2.325 1.906 ( -0.000 9.222 -0.521) 9.236 2.054 ( -0.000 -1.253 3.347) 3.574 2.934 ( -0.000 15.000 -2.487) 15.205 3.764 ( -0.000 0.267 0.473) 0.543 3.883 ( -0.000 1.857 -0.710) 1.988 3.956 ( 0.000 -12.909 -6.751) 14.568 4.171 ( -0.000 0.252 2.093) 2.108 4.530 ( -0.000 3.504 5.417) 6.451 5.019 ( 0.000 -2.189 -3.201) 3.878 ======================= Grid point 1078 (270/288) ======================= q-point: ( 0.36 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( -0.000 -0.000 13.674) 13.674 0.844 ( -0.000 -0.000 13.674) 13.674 1.227 ( 0.000 0.000 -5.639) 5.639 1.227 ( 0.000 0.000 -5.639) 5.639 1.437 ( -0.000 -0.000 27.949) 27.949 2.393 ( 0.000 0.000 -19.501) 19.501 3.729 ( -0.000 -0.000 1.490) 1.490 3.729 ( -0.000 -0.000 1.490) 1.490 3.856 ( 0.000 0.000 -1.693) 1.693 3.856 ( 0.000 0.000 -1.693) 1.693 4.875 ( -0.000 -0.000 1.645) 1.645 5.733 ( 0.000 0.000 -0.359) 0.359 ======================= Grid point 1079 (271/288) ======================= q-point: ( 0.43 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( -2.039 -1.177 14.565) 14.754 0.929 ( -1.193 -0.689 13.636) 13.705 1.210 ( 1.430 0.825 -6.210) 6.426 1.266 ( 3.287 1.897 -4.266) 5.710 1.606 ( 6.480 3.741 17.184) 18.743 2.208 ( -7.337 -4.236 -12.040) 14.722 3.734 ( 0.093 0.054 1.398) 1.402 3.853 ( -0.180 -0.104 -1.952) 1.963 3.900 ( 4.627 2.671 0.332) 5.353 3.922 ( 12.526 7.232 -5.228) 15.380 4.890 ( 0.904 0.522 1.130) 1.538 5.599 ( -11.043 -6.376 0.214) 12.753 ======================= Grid point 1080 (272/288) ======================= q-point: ( 0.50 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( 1.469 0.848 11.856) 11.977 0.884 ( -5.239 -3.024 9.855) 11.563 1.246 ( 2.656 1.534 -3.048) 4.324 1.355 ( 5.386 3.110 -2.145) 6.579 1.790 ( 6.366 3.675 2.730) 7.842 2.116 ( 2.412 1.393 -2.357) 3.649 3.743 ( 0.316 0.182 1.299) 1.350 3.839 ( -0.397 -0.229 -2.127) 2.175 4.021 ( 5.108 2.949 0.807) 5.953 4.180 ( 10.330 5.964 -6.324) 13.501 4.923 ( 1.708 0.986 0.287) 1.993 5.257 ( -17.846 -10.304 0.936) 20.628 ======================= Grid point 1081 (273/288) ======================= q-point: ( 0.57 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( -0.966 -0.558 8.102) 8.178 0.923 ( 2.754 1.590 6.825) 7.530 1.287 ( 0.723 0.417 0.375) 0.915 1.504 ( 7.753 4.476 -0.008) 8.952 1.927 ( 5.542 3.200 -0.991) 6.476 2.284 ( 11.389 6.576 -0.700) 13.170 3.756 ( 0.374 0.216 1.373) 1.440 3.828 ( 0.236 0.136 -2.120) 2.138 4.111 ( 2.545 1.470 -0.988) 3.101 4.355 ( 6.088 3.515 -3.966) 8.071 4.803 ( -19.350 -11.172 -2.045) 22.437 4.977 ( 1.165 0.672 4.207) 4.417 ======================= Grid point 1082 (274/288) ======================= q-point: ( 0.64 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( 4.970 2.869 9.292) 10.921 0.998 ( 2.391 1.380 2.665) 3.837 1.281 ( -0.933 -0.539 1.018) 1.483 1.703 ( 8.963 5.175 0.843) 10.384 2.032 ( 3.400 1.963 -1.669) 4.266 2.596 ( 14.840 8.568 0.294) 17.138 3.763 ( -0.016 -0.009 0.370) 0.371 3.844 ( 1.524 0.880 -0.684) 1.888 4.139 ( -0.274 -0.158 0.633) 0.708 4.313 ( -14.375 -8.300 -3.724) 17.012 4.490 ( 0.349 0.201 -1.607) 1.657 5.018 ( 0.776 0.448 3.789) 3.893 ======================= Grid point 1094 (275/288) ======================= q-point: ( 0.43 0.43 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( -0.000 -4.723 15.848) 16.536 1.016 ( -0.000 3.063 5.423) 6.228 1.193 ( 0.000 3.202 -4.565) 5.576 1.263 ( -0.000 4.867 -5.341) 7.226 1.662 ( -0.000 5.442 18.828) 19.599 2.160 ( 0.000 -7.979 -13.506) 15.687 3.739 ( -0.000 0.280 1.076) 1.112 3.834 ( 0.000 -0.915 -0.858) 1.254 3.867 ( -0.000 6.784 -0.477) 6.801 3.943 ( -0.000 11.451 -3.209) 11.892 4.891 ( -0.000 0.658 1.045) 1.235 5.605 ( 0.000 -11.660 -0.341) 11.665 ======================= Grid point 1095 (276/288) ======================= q-point: ( 0.50 0.43 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( -0.358 -3.011 11.772) 12.156 1.017 ( -2.424 1.550 0.630) 2.946 1.237 ( 0.502 4.952 -0.025) 4.977 1.325 ( 2.917 5.784 -4.096) 7.664 1.779 ( 1.878 5.360 6.501) 8.633 2.072 ( 1.393 -1.437 -4.557) 4.977 3.751 ( 0.193 0.838 0.848) 1.207 3.817 ( 0.168 -1.376 -1.103) 1.771 3.984 ( 4.571 4.449 1.792) 6.625 4.099 ( 5.259 11.176 -5.058) 13.347 4.909 ( 0.952 0.592 0.848) 1.406 5.379 ( -9.886 -14.687 -0.614) 17.715 ======================= Grid point 1096 (277/288) ======================= q-point: ( 0.57 0.43 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( 0.490 -2.082 3.889) 4.438 1.014 ( -1.952 4.736 3.609) 6.266 1.288 ( 0.449 2.109 1.804) 2.811 1.457 ( 5.071 7.830 -0.642) 9.350 1.885 ( 3.615 4.998 0.151) 6.170 2.176 ( 7.995 6.377 -1.006) 10.276 3.767 ( 0.083 1.367 0.991) 1.691 3.805 ( 0.569 -1.316 -1.666) 2.198 4.090 ( 2.367 3.263 -0.165) 4.035 4.279 ( 6.204 6.062 -2.508) 9.029 4.936 ( -0.263 0.594 -2.184) 2.278 5.002 ( -13.484 -15.628 2.938) 20.849 ======================= Grid point 1097 (278/288) ======================= q-point: ( 0.64 0.43 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( 5.099 3.976 5.426) 8.441 1.051 ( -1.208 5.115 4.154) 6.699 1.295 ( -1.032 -0.687 1.789) 2.177 1.644 ( 6.453 8.861 0.810) 10.992 1.998 ( 3.432 4.190 -0.509) 5.440 2.445 ( 12.945 10.180 -0.860) 16.491 3.778 ( -0.690 0.887 0.202) 1.141 3.811 ( 1.836 -0.388 -0.806) 2.042 4.134 ( 0.639 1.295 -0.973) 1.742 4.391 ( 0.883 1.967 -3.332) 3.968 4.573 ( -14.971 -9.933 -0.627) 17.977 4.983 ( 2.923 -2.748 4.123) 5.752 ======================= Grid point 1110 (279/288) ======================= q-point: ( 0.50 0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( -0.000 0.282 8.947) 8.951 1.017 ( 0.000 -0.335 -5.726) 5.736 1.313 ( 0.000 3.077 -6.823) 7.485 1.320 ( -0.000 8.460 0.924) 8.510 1.833 ( -0.000 4.645 0.474) 4.669 2.053 ( -0.000 3.546 1.966) 4.055 3.756 ( -0.000 0.982 0.275) 1.019 3.811 ( 0.000 -1.158 0.327) 1.203 3.989 ( -0.000 5.004 2.905) 5.786 4.166 ( -0.000 11.174 -3.440) 11.691 4.905 ( -0.000 -0.823 1.990) 2.153 5.298 ( 0.000 -16.636 -3.272) 16.955 ======================= Grid point 1111 (280/288) ======================= q-point: ( 0.57 0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( -3.274 1.016 -1.255) 3.650 1.039 ( 2.679 1.757 -2.107) 3.835 1.311 ( -0.150 1.639 -2.383) 2.896 1.457 ( 4.463 8.843 -0.710) 9.931 1.892 ( 1.861 5.256 -1.175) 5.698 2.158 ( 3.059 9.960 2.602) 10.739 3.774 ( 0.721 1.184 -0.432) 1.452 3.793 ( -0.713 -0.714 0.759) 1.263 4.078 ( 2.976 3.236 2.245) 4.937 4.274 ( 1.991 7.913 -1.107) 8.235 4.893 ( 1.029 -7.732 5.335) 9.450 5.056 ( -8.102 -10.838 -7.030) 15.249 ======================= Grid point 1112 (281/288) ======================= q-point: ( 0.64 0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( 3.786 6.558 -0.000) 7.572 1.097 ( 1.598 2.769 0.000) 3.197 1.308 ( -0.571 -0.989 -0.000) 1.142 1.640 ( 5.704 9.879 -0.000) 11.407 1.992 ( 3.112 5.391 -0.000) 6.225 2.374 ( 7.715 13.363 -0.000) 15.430 3.782 ( -0.101 -0.176 -0.000) 0.203 3.797 ( 0.448 0.775 -0.000) 0.895 4.137 ( 0.730 1.264 0.000) 1.459 4.380 ( 2.658 4.603 -0.000) 5.315 4.679 ( -9.350 -16.194 -0.000) 18.699 4.931 ( -0.570 -0.988 0.000) 1.141 ======================= Grid point 1126 (282/288) ======================= q-point: ( 0.57 0.57 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( 0.000 1.976 -5.832) 6.157 0.984 ( 0.000 1.268 -6.081) 6.212 1.306 ( 0.000 0.182 -3.779) 3.783 1.505 ( -0.000 9.667 -0.218) 9.670 1.925 ( -0.000 5.659 -0.588) 5.689 2.267 ( -0.000 13.882 2.880) 14.177 3.770 ( 0.000 0.277 -1.511) 1.536 3.807 ( -0.000 0.554 2.170) 2.240 4.091 ( -0.000 3.066 3.120) 4.374 4.332 ( -0.000 6.019 1.057) 6.111 4.769 ( 0.000 -18.401 4.339) 18.905 5.037 ( 0.000 -1.504 -7.838) 7.981 ======================= Grid point 1300 (283/288) ======================= q-point: ( 0.43 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( -0.000 -0.000 10.700) 10.700 0.960 ( -0.000 -0.000 10.700) 10.700 1.169 ( 0.000 0.000 -6.590) 6.590 1.169 ( 0.000 0.000 -6.590) 6.590 1.688 ( -0.000 -0.000 24.861) 24.861 2.202 ( 0.000 0.000 -20.668) 20.668 3.741 ( -0.000 -0.000 1.048) 1.048 3.741 ( -0.000 -0.000 1.048) 1.048 3.842 ( 0.000 0.000 -1.162) 1.162 3.842 ( 0.000 0.000 -1.162) 1.162 4.887 ( -0.000 -0.000 0.902) 0.902 5.730 ( 0.000 0.000 -0.203) 0.203 ======================= Grid point 1301 (284/288) ======================= q-point: ( 0.50 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( -1.919 -1.108 11.854) 12.059 1.010 ( -1.836 -1.060 0.996) 2.342 1.165 ( 2.853 1.647 -0.574) 3.344 1.222 ( 4.245 2.451 -4.853) 6.898 1.760 ( 0.295 0.170 14.207) 14.212 2.089 ( -2.475 -1.429 -12.042) 12.376 3.745 ( 0.091 0.053 0.743) 0.750 3.837 ( -0.336 -0.194 -1.304) 1.361 3.885 ( 9.236 5.332 -2.664) 10.993 3.906 ( 6.384 3.686 0.975) 7.436 4.897 ( 0.717 0.414 0.446) 0.940 5.600 ( -10.735 -6.198 0.193) 12.397 ======================= Grid point 1302 (285/288) ======================= q-point: ( 0.57 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( -4.011 -2.316 -2.770) 5.397 0.943 ( 0.172 0.099 9.742) 9.744 1.253 ( 3.103 1.791 4.707) 5.915 1.335 ( 6.437 3.716 -2.023) 7.703 1.818 ( 3.247 1.875 2.890) 4.734 2.085 ( 4.454 2.571 -3.929) 6.472 3.753 ( 0.500 0.289 0.817) 1.000 3.820 ( -0.620 -0.358 -1.617) 1.769 4.015 ( 4.770 2.754 -2.178) 5.923 4.149 ( 10.304 5.949 -0.277) 11.902 4.920 ( 0.816 0.471 -1.005) 1.377 5.272 ( -16.688 -9.635 2.231) 19.399 ======================= Grid point 1316 (286/288) ======================= q-point: ( 0.50 0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( -0.000 -3.884 12.161) 12.766 1.015 ( 0.000 -1.317 -5.918) 6.063 1.182 ( -0.000 5.677 2.711) 6.291 1.205 ( 0.000 4.797 -6.583) 8.145 1.805 ( -0.000 -0.715 8.217) 8.248 2.048 ( 0.000 -2.198 -6.942) 7.282 3.747 ( -0.000 0.172 0.366) 0.405 3.830 ( 0.000 -0.646 0.078) 0.651 3.869 ( -0.000 8.424 0.909) 8.473 3.919 ( -0.000 9.106 -1.903) 9.302 4.898 ( -0.000 0.695 0.327) 0.768 5.603 ( 0.000 -12.041 -0.274) 12.044 ======================= Grid point 1317 (287/288) ======================= q-point: ( 0.57 0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( -3.107 -5.382 0.000) 6.214 1.002 ( 0.729 1.262 -0.000) 1.458 1.247 ( 2.047 3.546 -0.000) 4.094 1.298 ( 3.945 6.832 -0.000) 7.889 1.813 ( 0.964 1.670 0.000) 1.928 2.047 ( 1.308 2.265 -0.000) 2.615 3.756 ( 0.379 0.657 -0.000) 0.758 3.811 ( -0.542 -0.940 -0.000) 1.085 3.995 ( 3.111 5.388 0.000) 6.221 4.073 ( 6.214 10.763 -0.000) 12.428 4.913 ( 0.587 1.017 -0.000) 1.175 5.376 ( -9.042 -15.661 -0.000) 18.084 ======================= Grid point 1527 (288/288) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( 0.000 0.000 -0.000) 0.000 1.024 ( 0.000 0.000 -0.000) 0.000 1.123 ( -0.000 -0.000 0.000) 0.000 1.123 ( -0.000 -0.000 0.000) 0.000 1.851 ( 0.000 0.000 -0.000) 0.000 2.058 ( -0.000 -0.000 0.000) 0.000 3.746 ( -0.000 -0.000 0.000) 0.000 3.746 ( -0.000 -0.000 0.000) 0.000 3.837 ( -0.000 -0.000 0.000) 0.000 3.837 ( -0.000 -0.000 0.000) 0.000 4.891 ( -0.000 -0.000 0.000) 0.000 5.729 ( -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 3/32928 10.0 159.768 159.768 235.554 -0.000 -0.000 -0.000 3/32928 20.0 38.591 38.591 44.106 -0.000 -0.000 -0.000 3/32928 30.0 20.653 20.653 21.291 -0.000 -0.000 -0.000 3/32928 40.0 13.869 13.869 13.577 -0.000 -0.000 -0.000 3/32928 50.0 10.430 10.430 9.893 -0.000 -0.000 -0.000 3/32928 60.0 8.400 8.400 7.796 -0.000 -0.000 -0.000 3/32928 70.0 7.068 7.068 6.456 -0.000 -0.000 -0.000 3/32928 80.0 6.125 6.125 5.527 -0.000 -0.000 -0.000 3/32928 90.0 5.418 5.418 4.844 -0.000 -0.000 -0.000 3/32928 100.0 4.866 4.866 4.318 -0.000 -0.000 -0.000 3/32928 110.0 4.421 4.421 3.901 -0.000 -0.000 -0.000 3/32928 120.0 4.054 4.054 3.560 -0.000 -0.000 -0.000 3/32928 130.0 3.745 3.745 3.276 -0.000 -0.000 -0.000 3/32928 140.0 3.481 3.481 3.035 -0.000 -0.000 -0.000 3/32928 150.0 3.253 3.253 2.829 -0.000 -0.000 -0.000 3/32928 160.0 3.054 3.054 2.649 -0.000 -0.000 -0.000 3/32928 170.0 2.878 2.878 2.491 -0.000 -0.000 -0.000 3/32928 180.0 2.721 2.721 2.352 -0.000 -0.000 -0.000 3/32928 190.0 2.581 2.581 2.227 -0.000 -0.000 -0.000 3/32928 200.0 2.455 2.455 2.116 -0.000 -0.000 -0.000 3/32928 210.0 2.340 2.340 2.015 -0.000 -0.000 -0.000 3/32928 220.0 2.236 2.236 1.923 -0.000 -0.000 -0.000 3/32928 230.0 2.141 2.141 1.839 -0.000 -0.000 -0.000 3/32928 240.0 2.054 2.054 1.763 -0.000 -0.000 -0.000 3/32928 250.0 1.973 1.973 1.693 -0.000 -0.000 -0.000 3/32928 260.0 1.899 1.899 1.628 -0.000 -0.000 -0.000 3/32928 270.0 1.830 1.830 1.568 -0.000 -0.000 -0.000 3/32928 280.0 1.766 1.766 1.512 -0.000 -0.000 -0.000 3/32928 290.0 1.706 1.706 1.460 -0.000 -0.000 -0.000 3/32928 300.0 1.650 1.650 1.412 -0.000 -0.000 -0.000 3/32928 310.0 1.598 1.598 1.366 -0.000 -0.000 -0.000 3/32928 320.0 1.549 1.549 1.324 -0.000 -0.000 -0.000 3/32928 330.0 1.503 1.503 1.284 -0.000 -0.000 -0.000 3/32928 340.0 1.459 1.459 1.247 -0.000 -0.000 -0.000 3/32928 350.0 1.418 1.418 1.211 -0.000 -0.000 -0.000 3/32928 360.0 1.380 1.380 1.178 -0.000 -0.000 -0.000 3/32928 370.0 1.343 1.343 1.146 -0.000 -0.000 -0.000 3/32928 380.0 1.308 1.308 1.116 -0.000 -0.000 -0.000 3/32928 390.0 1.275 1.275 1.088 -0.000 -0.000 -0.000 3/32928 400.0 1.244 1.244 1.061 -0.000 -0.000 -0.000 3/32928 410.0 1.214 1.214 1.035 -0.000 -0.000 -0.000 3/32928 420.0 1.185 1.185 1.011 -0.000 -0.000 -0.000 3/32928 430.0 1.158 1.158 0.987 -0.000 -0.000 -0.000 3/32928 440.0 1.132 1.132 0.965 -0.000 -0.000 -0.000 3/32928 450.0 1.108 1.108 0.944 -0.000 -0.000 -0.000 3/32928 460.0 1.084 1.084 0.923 -0.000 -0.000 -0.000 3/32928 470.0 1.061 1.061 0.904 -0.000 -0.000 -0.000 3/32928 480.0 1.039 1.039 0.885 -0.000 -0.000 -0.000 3/32928 490.0 1.018 1.018 0.867 -0.000 -0.000 -0.000 3/32928 500.0 0.998 0.998 0.850 -0.000 -0.000 -0.000 3/32928 510.0 0.979 0.979 0.833 -0.000 -0.000 -0.000 3/32928 520.0 0.960 0.960 0.817 -0.000 -0.000 -0.000 3/32928 530.0 0.942 0.942 0.802 -0.000 -0.000 -0.000 3/32928 540.0 0.925 0.925 0.787 -0.000 -0.000 -0.000 3/32928 550.0 0.909 0.909 0.773 -0.000 -0.000 -0.000 3/32928 560.0 0.893 0.893 0.759 -0.000 -0.000 -0.000 3/32928 570.0 0.877 0.877 0.746 -0.000 -0.000 -0.000 3/32928 580.0 0.862 0.862 0.733 -0.000 -0.000 -0.000 3/32928 590.0 0.848 0.848 0.721 -0.000 -0.000 -0.000 3/32928 600.0 0.834 0.834 0.709 -0.000 -0.000 -0.000 3/32928 610.0 0.820 0.820 0.697 -0.000 -0.000 -0.000 3/32928 620.0 0.807 0.807 0.686 -0.000 -0.000 -0.000 3/32928 630.0 0.794 0.794 0.675 -0.000 -0.000 -0.000 3/32928 640.0 0.782 0.782 0.665 -0.000 -0.000 -0.000 3/32928 650.0 0.770 0.770 0.655 -0.000 -0.000 -0.000 3/32928 660.0 0.759 0.759 0.645 -0.000 -0.000 -0.000 3/32928 670.0 0.747 0.747 0.635 -0.000 -0.000 -0.000 3/32928 680.0 0.737 0.737 0.626 -0.000 -0.000 -0.000 3/32928 690.0 0.726 0.726 0.617 -0.000 -0.000 -0.000 3/32928 700.0 0.716 0.716 0.608 -0.000 -0.000 -0.000 3/32928 710.0 0.706 0.706 0.600 -0.000 -0.000 -0.000 3/32928 720.0 0.696 0.696 0.591 -0.000 -0.000 -0.000 3/32928 730.0 0.687 0.687 0.583 -0.000 -0.000 -0.000 3/32928 740.0 0.677 0.677 0.576 -0.000 -0.000 -0.000 3/32928 750.0 0.668 0.668 0.568 -0.000 -0.000 -0.000 3/32928 760.0 0.660 0.660 0.561 -0.000 -0.000 -0.000 3/32928 770.0 0.651 0.651 0.553 -0.000 -0.000 -0.000 3/32928 780.0 0.643 0.643 0.546 -0.000 -0.000 -0.000 3/32928 790.0 0.635 0.635 0.539 -0.000 -0.000 -0.000 3/32928 800.0 0.627 0.627 0.533 -0.000 -0.000 -0.000 3/32928 810.0 0.619 0.619 0.526 -0.000 -0.000 -0.000 3/32928 820.0 0.612 0.612 0.520 -0.000 -0.000 -0.000 3/32928 830.0 0.605 0.605 0.513 -0.000 -0.000 -0.000 3/32928 840.0 0.597 0.597 0.507 -0.000 -0.000 -0.000 3/32928 850.0 0.590 0.590 0.501 -0.000 -0.000 -0.000 3/32928 860.0 0.584 0.584 0.496 -0.000 -0.000 -0.000 3/32928 870.0 0.577 0.577 0.490 -0.000 -0.000 -0.000 3/32928 880.0 0.570 0.570 0.484 -0.000 -0.000 -0.000 3/32928 890.0 0.564 0.564 0.479 -0.000 -0.000 -0.000 3/32928 900.0 0.558 0.558 0.474 -0.000 -0.000 -0.000 3/32928 910.0 0.552 0.552 0.469 -0.000 -0.000 -0.000 3/32928 920.0 0.546 0.546 0.463 -0.000 -0.000 -0.000 3/32928 930.0 0.540 0.540 0.459 -0.000 -0.000 -0.000 3/32928 940.0 0.534 0.534 0.454 -0.000 -0.000 -0.000 3/32928 950.0 0.529 0.529 0.449 -0.000 -0.000 -0.000 3/32928 960.0 0.523 0.523 0.444 -0.000 -0.000 -0.000 3/32928 970.0 0.518 0.518 0.440 -0.000 -0.000 -0.000 3/32928 980.0 0.513 0.513 0.435 -0.000 -0.000 -0.000 3/32928 990.0 0.508 0.508 0.431 -0.000 -0.000 -0.000 3/32928 1000.0 0.502 0.502 0.427 -0.000 -0.000 -0.000 3/32928 Thermal conductivity related properties were written into "kappa-m141414.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 18:38:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|