----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:19:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) Number of symmetry operations in supercell: 324 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.001173800784691 1.155378232578266 7.582198969999992 b -2.001173800784687 1.155378232578266 7.582198969999992 c 0.000000000000002 -2.310756465156534 7.582198969999992 Atomic positions (fractional): *1 S 0.76946445293203 0.76946445293203 0.76946445293204 32.065 2 S 0.23053554706797 0.23053554706797 0.23053554706797 32.065 *3 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 *4 Ho 0.50000000000000 0.50000000000000 0.50000000000000 164.930 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.002347601569378 0.000000000000000 0.000000000000000 b -2.001173800784689 3.466134697734800 0.000000000000000 c 0.000000000000000 0.000000000000000 22.746596910000001 Atomic positions (fractional): *1 S 0.66666666666667 0.33333333333333 0.10279778626537 32.065 > 1 2 S 0.00000000000000 0.00000000000000 0.23053554706797 32.065 > 2 3 S 0.33333333333333 0.66666666666667 0.43613111959870 32.065 > 1 4 S 0.66666666666667 0.33333333333333 0.56386888040130 32.065 > 2 5 S 0.00000000000000 0.00000000000000 0.76946445293204 32.065 > 1 6 S 0.33333333333333 0.66666666666667 0.89720221373463 32.065 > 2 *7 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 3 8 Rb 0.66666666666667 0.33333333333333 0.33333333333333 85.468 > 3 9 Rb 0.33333333333333 0.66666666666667 0.66666666666667 85.468 > 3 *10 Ho 0.33333333333333 0.66666666666667 0.16666666666667 164.930 > 4 11 Ho 0.00000000000000 0.00000000000000 0.50000000000000 164.930 > 4 12 Ho 0.66666666666667 0.33333333333333 0.83333333333333 164.930 > 4 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.007042804708133 0.000000000000000 0.000000000000000 b -6.003521402354067 10.398404093204400 0.000000000000000 c 0.000000000000000 0.000000000000000 22.746596910000001 Atomic positions (fractional): *1 S 0.22222222222222 0.11111111111111 0.10279778626537 32.065 > 1 2 S 0.55555555555556 0.11111111111111 0.10279778626537 32.065 > 1 3 S 0.88888888888889 0.11111111111111 0.10279778626537 32.065 > 1 4 S 0.22222222222222 0.44444444444444 0.10279778626537 32.065 > 1 5 S 0.55555555555556 0.44444444444444 0.10279778626537 32.065 > 1 6 S 0.88888888888889 0.44444444444444 0.10279778626537 32.065 > 1 7 S 0.22222222222222 0.77777777777778 0.10279778626537 32.065 > 1 8 S 0.55555555555556 0.77777777777778 0.10279778626537 32.065 > 1 9 S 0.88888888888889 0.77777777777778 0.10279778626537 32.065 > 1 10 S 0.00000000000000 0.00000000000000 0.23053554706797 32.065 > 2 11 S 0.33333333333333 0.00000000000000 0.23053554706797 32.065 > 2 12 S 0.66666666666667 0.00000000000000 0.23053554706797 32.065 > 2 13 S 0.00000000000000 0.33333333333333 0.23053554706797 32.065 > 2 14 S 0.33333333333333 0.33333333333333 0.23053554706797 32.065 > 2 15 S 0.66666666666667 0.33333333333333 0.23053554706797 32.065 > 2 16 S 0.00000000000000 0.66666666666667 0.23053554706797 32.065 > 2 17 S 0.33333333333333 0.66666666666667 0.23053554706797 32.065 > 2 18 S 0.66666666666667 0.66666666666667 0.23053554706797 32.065 > 2 19 S 0.11111111111111 0.22222222222222 0.43613111959870 32.065 > 1 20 S 0.44444444444444 0.22222222222222 0.43613111959870 32.065 > 1 21 S 0.77777777777778 0.22222222222222 0.43613111959870 32.065 > 1 22 S 0.11111111111111 0.55555555555556 0.43613111959870 32.065 > 1 23 S 0.44444444444444 0.55555555555556 0.43613111959870 32.065 > 1 24 S 0.77777777777778 0.55555555555556 0.43613111959870 32.065 > 1 25 S 0.11111111111111 0.88888888888889 0.43613111959870 32.065 > 1 26 S 0.44444444444444 0.88888888888889 0.43613111959870 32.065 > 1 27 S 0.77777777777778 0.88888888888889 0.43613111959870 32.065 > 1 28 S 0.22222222222222 0.11111111111111 0.56386888040130 32.065 > 2 29 S 0.55555555555556 0.11111111111111 0.56386888040130 32.065 > 2 30 S 0.88888888888889 0.11111111111111 0.56386888040130 32.065 > 2 31 S 0.22222222222222 0.44444444444444 0.56386888040130 32.065 > 2 32 S 0.55555555555556 0.44444444444444 0.56386888040130 32.065 > 2 33 S 0.88888888888889 0.44444444444444 0.56386888040130 32.065 > 2 34 S 0.22222222222222 0.77777777777778 0.56386888040130 32.065 > 2 35 S 0.55555555555556 0.77777777777778 0.56386888040130 32.065 > 2 36 S 0.88888888888889 0.77777777777778 0.56386888040130 32.065 > 2 37 S 0.00000000000000 0.00000000000000 0.76946445293204 32.065 > 1 38 S 0.33333333333333 0.00000000000000 0.76946445293204 32.065 > 1 39 S 0.66666666666667 0.00000000000000 0.76946445293204 32.065 > 1 40 S 0.00000000000000 0.33333333333333 0.76946445293204 32.065 > 1 41 S 0.33333333333333 0.33333333333333 0.76946445293204 32.065 > 1 42 S 0.66666666666667 0.33333333333333 0.76946445293204 32.065 > 1 43 S 0.00000000000000 0.66666666666667 0.76946445293204 32.065 > 1 44 S 0.33333333333333 0.66666666666667 0.76946445293204 32.065 > 1 45 S 0.66666666666667 0.66666666666667 0.76946445293204 32.065 > 1 46 S 0.11111111111111 0.22222222222222 0.89720221373463 32.065 > 2 47 S 0.44444444444444 0.22222222222222 0.89720221373463 32.065 > 2 48 S 0.77777777777778 0.22222222222222 0.89720221373463 32.065 > 2 49 S 0.11111111111111 0.55555555555556 0.89720221373463 32.065 > 2 50 S 0.44444444444444 0.55555555555556 0.89720221373463 32.065 > 2 51 S 0.77777777777778 0.55555555555556 0.89720221373463 32.065 > 2 52 S 0.11111111111111 0.88888888888889 0.89720221373463 32.065 > 2 53 S 0.44444444444444 0.88888888888889 0.89720221373463 32.065 > 2 54 S 0.77777777777778 0.88888888888889 0.89720221373463 32.065 > 2 *55 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 3 56 Rb 0.33333333333333 0.00000000000000 0.00000000000000 85.468 > 3 57 Rb 0.66666666666667 0.00000000000000 0.00000000000000 85.468 > 3 58 Rb 0.00000000000000 0.33333333333333 0.00000000000000 85.468 > 3 59 Rb 0.33333333333333 0.33333333333333 0.00000000000000 85.468 > 3 60 Rb 0.66666666666667 0.33333333333333 0.00000000000000 85.468 > 3 61 Rb 0.00000000000000 0.66666666666667 0.00000000000000 85.468 > 3 62 Rb 0.33333333333333 0.66666666666667 0.00000000000000 85.468 > 3 63 Rb 0.66666666666667 0.66666666666667 0.00000000000000 85.468 > 3 64 Rb 0.22222222222222 0.11111111111111 0.33333333333333 85.468 > 3 65 Rb 0.55555555555556 0.11111111111111 0.33333333333333 85.468 > 3 66 Rb 0.88888888888889 0.11111111111111 0.33333333333333 85.468 > 3 67 Rb 0.22222222222222 0.44444444444444 0.33333333333333 85.468 > 3 68 Rb 0.55555555555556 0.44444444444444 0.33333333333333 85.468 > 3 69 Rb 0.88888888888889 0.44444444444444 0.33333333333333 85.468 > 3 70 Rb 0.22222222222222 0.77777777777778 0.33333333333333 85.468 > 3 71 Rb 0.55555555555556 0.77777777777778 0.33333333333333 85.468 > 3 72 Rb 0.88888888888889 0.77777777777778 0.33333333333333 85.468 > 3 73 Rb 0.11111111111111 0.22222222222222 0.66666666666667 85.468 > 3 74 Rb 0.44444444444444 0.22222222222222 0.66666666666667 85.468 > 3 75 Rb 0.77777777777778 0.22222222222222 0.66666666666667 85.468 > 3 76 Rb 0.11111111111111 0.55555555555556 0.66666666666667 85.468 > 3 77 Rb 0.44444444444444 0.55555555555556 0.66666666666667 85.468 > 3 78 Rb 0.77777777777778 0.55555555555556 0.66666666666667 85.468 > 3 79 Rb 0.11111111111111 0.88888888888889 0.66666666666667 85.468 > 3 80 Rb 0.44444444444444 0.88888888888889 0.66666666666667 85.468 > 3 81 Rb 0.77777777777778 0.88888888888889 0.66666666666667 85.468 > 3 *82 Ho 0.11111111111111 0.22222222222222 0.16666666666667 164.930 > 4 83 Ho 0.44444444444444 0.22222222222222 0.16666666666667 164.930 > 4 84 Ho 0.77777777777778 0.22222222222222 0.16666666666667 164.930 > 4 85 Ho 0.11111111111111 0.55555555555556 0.16666666666667 164.930 > 4 86 Ho 0.44444444444444 0.55555555555556 0.16666666666667 164.930 > 4 87 Ho 0.77777777777778 0.55555555555556 0.16666666666667 164.930 > 4 88 Ho 0.11111111111111 0.88888888888889 0.16666666666667 164.930 > 4 89 Ho 0.44444444444444 0.88888888888889 0.16666666666667 164.930 > 4 90 Ho 0.77777777777778 0.88888888888889 0.16666666666667 164.930 > 4 91 Ho 0.00000000000000 0.00000000000000 0.50000000000000 164.930 > 4 92 Ho 0.33333333333333 0.00000000000000 0.50000000000000 164.930 > 4 93 Ho 0.66666666666667 0.00000000000000 0.50000000000000 164.930 > 4 94 Ho 0.00000000000000 0.33333333333333 0.50000000000000 164.930 > 4 95 Ho 0.33333333333333 0.33333333333333 0.50000000000000 164.930 > 4 96 Ho 0.66666666666667 0.33333333333333 0.50000000000000 164.930 > 4 97 Ho 0.00000000000000 0.66666666666667 0.50000000000000 164.930 > 4 98 Ho 0.33333333333333 0.66666666666667 0.50000000000000 164.930 > 4 99 Ho 0.66666666666667 0.66666666666667 0.50000000000000 164.930 > 4 100 Ho 0.22222222222222 0.11111111111111 0.83333333333333 164.930 > 4 101 Ho 0.55555555555556 0.11111111111111 0.83333333333333 164.930 > 4 102 Ho 0.88888888888889 0.11111111111111 0.83333333333333 164.930 > 4 103 Ho 0.22222222222222 0.44444444444444 0.83333333333333 164.930 > 4 104 Ho 0.55555555555556 0.44444444444444 0.83333333333333 164.930 > 4 105 Ho 0.88888888888889 0.44444444444444 0.83333333333333 164.930 > 4 106 Ho 0.22222222222222 0.77777777777778 0.83333333333333 164.930 > 4 107 Ho 0.55555555555556 0.77777777777778 0.83333333333333 164.930 > 4 108 Ho 0.88888888888889 0.77777777777778 0.83333333333333 164.930 > 4 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.5849185 0.0000000 0.0000000 0.0000000 5.5849185 0.0000000 0.0000000 0.0000000 4.3422712 -------------------------- Born effective charges -------------------------- 1 S -2.7371510 0.0000000 0.0000000 0.0000000 -2.7371510 0.0000000 0.0000000 0.0000000 -1.8936210 2 S -2.7371510 0.0000000 0.0000000 0.0000000 -2.7371510 0.0000000 0.0000000 0.0000000 -1.8936210 3 Rb 1.0530058 -0.0000000 0.0000000 0.0000000 1.0530058 0.0000000 0.0000000 0.0000000 1.9184868 4 Ho 4.4212962 -0.0000000 0.0000000 0.0000000 4.4212962 0.0000000 0.0000000 0.0000000 1.8687551 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 324/324 Permutation basis: 2568/2568 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 215 Number of blocks in projector: 192 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (54, 51), data: True |-- (64, 64), data: True |-- (97, 94), data: True ----- Solver_atoms: 1 -- 108 / 108 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 80 / 80 - Time: 0.121 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.128 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 324/324 Permutation basis: 2568/2568 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 215 Number of blocks in projector: 192 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (54, 51), data: True |-- (64, 64), data: True |-- (97, 94), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:19:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:19:07]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.001173800784691 1.155378232578266 7.582198969999992 b -2.001173800784687 1.155378232578266 7.582198969999992 c 0.000000000000002 -2.310756465156534 7.582198969999992 Atomic positions (fractional): 1 S 0.76946445293203 0.76946445293203 0.76946445293204 32.065 2 S 0.23053554706797 0.23053554706797 0.23053554706797 32.065 3 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 4 Ho 0.50000000000000 0.50000000000000 0.50000000000000 164.930 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.007042804708133 0.000000000000000 0.000000000000000 b -6.003521402354067 10.398404093204400 0.000000000000000 c 0.000000000000000 0.000000000000000 22.746596910000001 Atomic positions (fractional): 1 S 0.22222222222222 0.11111111111111 0.10279778626537 32.065 > 1 2 S 0.55555555555556 0.11111111111111 0.10279778626537 32.065 > 1 3 S 0.88888888888889 0.11111111111111 0.10279778626537 32.065 > 1 4 S 0.22222222222222 0.44444444444444 0.10279778626537 32.065 > 1 5 S 0.55555555555556 0.44444444444444 0.10279778626537 32.065 > 1 6 S 0.88888888888889 0.44444444444444 0.10279778626537 32.065 > 1 7 S 0.22222222222222 0.77777777777778 0.10279778626537 32.065 > 1 8 S 0.55555555555556 0.77777777777778 0.10279778626537 32.065 > 1 9 S 0.88888888888889 0.77777777777778 0.10279778626537 32.065 > 1 10 S 0.00000000000000 0.00000000000000 0.23053554706797 32.065 > 10 11 S 0.33333333333333 0.00000000000000 0.23053554706797 32.065 > 10 12 S 0.66666666666667 0.00000000000000 0.23053554706797 32.065 > 10 13 S 0.00000000000000 0.33333333333333 0.23053554706797 32.065 > 10 14 S 0.33333333333333 0.33333333333333 0.23053554706797 32.065 > 10 15 S 0.66666666666667 0.33333333333333 0.23053554706797 32.065 > 10 16 S 0.00000000000000 0.66666666666667 0.23053554706797 32.065 > 10 17 S 0.33333333333333 0.66666666666667 0.23053554706797 32.065 > 10 18 S 0.66666666666667 0.66666666666667 0.23053554706797 32.065 > 10 19 S 0.11111111111111 0.22222222222222 0.43613111959870 32.065 > 1 20 S 0.44444444444444 0.22222222222222 0.43613111959870 32.065 > 1 21 S 0.77777777777778 0.22222222222222 0.43613111959870 32.065 > 1 22 S 0.11111111111111 0.55555555555556 0.43613111959870 32.065 > 1 23 S 0.44444444444444 0.55555555555556 0.43613111959870 32.065 > 1 24 S 0.77777777777778 0.55555555555556 0.43613111959870 32.065 > 1 25 S 0.11111111111111 0.88888888888889 0.43613111959870 32.065 > 1 26 S 0.44444444444444 0.88888888888889 0.43613111959870 32.065 > 1 27 S 0.77777777777778 0.88888888888889 0.43613111959870 32.065 > 1 28 S 0.22222222222222 0.11111111111111 0.56386888040130 32.065 > 10 29 S 0.55555555555556 0.11111111111111 0.56386888040130 32.065 > 10 30 S 0.88888888888889 0.11111111111111 0.56386888040130 32.065 > 10 31 S 0.22222222222222 0.44444444444444 0.56386888040130 32.065 > 10 32 S 0.55555555555556 0.44444444444444 0.56386888040130 32.065 > 10 33 S 0.88888888888889 0.44444444444444 0.56386888040130 32.065 > 10 34 S 0.22222222222222 0.77777777777778 0.56386888040130 32.065 > 10 35 S 0.55555555555556 0.77777777777778 0.56386888040130 32.065 > 10 36 S 0.88888888888889 0.77777777777778 0.56386888040130 32.065 > 10 37 S 0.00000000000000 0.00000000000000 0.76946445293204 32.065 > 1 38 S 0.33333333333333 0.00000000000000 0.76946445293204 32.065 > 1 39 S 0.66666666666667 0.00000000000000 0.76946445293204 32.065 > 1 40 S 0.00000000000000 0.33333333333333 0.76946445293204 32.065 > 1 41 S 0.33333333333333 0.33333333333333 0.76946445293204 32.065 > 1 42 S 0.66666666666667 0.33333333333333 0.76946445293204 32.065 > 1 43 S 0.00000000000000 0.66666666666667 0.76946445293204 32.065 > 1 44 S 0.33333333333333 0.66666666666667 0.76946445293204 32.065 > 1 45 S 0.66666666666667 0.66666666666667 0.76946445293204 32.065 > 1 46 S 0.11111111111111 0.22222222222222 0.89720221373463 32.065 > 10 47 S 0.44444444444444 0.22222222222222 0.89720221373463 32.065 > 10 48 S 0.77777777777778 0.22222222222222 0.89720221373463 32.065 > 10 49 S 0.11111111111111 0.55555555555556 0.89720221373463 32.065 > 10 50 S 0.44444444444444 0.55555555555556 0.89720221373463 32.065 > 10 51 S 0.77777777777778 0.55555555555556 0.89720221373463 32.065 > 10 52 S 0.11111111111111 0.88888888888889 0.89720221373463 32.065 > 10 53 S 0.44444444444444 0.88888888888889 0.89720221373463 32.065 > 10 54 S 0.77777777777778 0.88888888888889 0.89720221373463 32.065 > 10 55 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 55 56 Rb 0.33333333333333 0.00000000000000 0.00000000000000 85.468 > 55 57 Rb 0.66666666666667 0.00000000000000 0.00000000000000 85.468 > 55 58 Rb 0.00000000000000 0.33333333333333 0.00000000000000 85.468 > 55 59 Rb 0.33333333333333 0.33333333333333 0.00000000000000 85.468 > 55 60 Rb 0.66666666666667 0.33333333333333 0.00000000000000 85.468 > 55 61 Rb 0.00000000000000 0.66666666666667 0.00000000000000 85.468 > 55 62 Rb 0.33333333333333 0.66666666666667 0.00000000000000 85.468 > 55 63 Rb 0.66666666666667 0.66666666666667 0.00000000000000 85.468 > 55 64 Rb 0.22222222222222 0.11111111111111 0.33333333333333 85.468 > 55 65 Rb 0.55555555555556 0.11111111111111 0.33333333333333 85.468 > 55 66 Rb 0.88888888888889 0.11111111111111 0.33333333333333 85.468 > 55 67 Rb 0.22222222222222 0.44444444444444 0.33333333333333 85.468 > 55 68 Rb 0.55555555555556 0.44444444444444 0.33333333333333 85.468 > 55 69 Rb 0.88888888888889 0.44444444444444 0.33333333333333 85.468 > 55 70 Rb 0.22222222222222 0.77777777777778 0.33333333333333 85.468 > 55 71 Rb 0.55555555555556 0.77777777777778 0.33333333333333 85.468 > 55 72 Rb 0.88888888888889 0.77777777777778 0.33333333333333 85.468 > 55 73 Rb 0.11111111111111 0.22222222222222 0.66666666666667 85.468 > 55 74 Rb 0.44444444444444 0.22222222222222 0.66666666666667 85.468 > 55 75 Rb 0.77777777777778 0.22222222222222 0.66666666666667 85.468 > 55 76 Rb 0.11111111111111 0.55555555555556 0.66666666666667 85.468 > 55 77 Rb 0.44444444444444 0.55555555555556 0.66666666666667 85.468 > 55 78 Rb 0.77777777777778 0.55555555555556 0.66666666666667 85.468 > 55 79 Rb 0.11111111111111 0.88888888888889 0.66666666666667 85.468 > 55 80 Rb 0.44444444444444 0.88888888888889 0.66666666666667 85.468 > 55 81 Rb 0.77777777777778 0.88888888888889 0.66666666666667 85.468 > 55 82 Ho 0.11111111111111 0.22222222222222 0.16666666666667 164.930 > 82 83 Ho 0.44444444444444 0.22222222222222 0.16666666666667 164.930 > 82 84 Ho 0.77777777777778 0.22222222222222 0.16666666666667 164.930 > 82 85 Ho 0.11111111111111 0.55555555555556 0.16666666666667 164.930 > 82 86 Ho 0.44444444444444 0.55555555555556 0.16666666666667 164.930 > 82 87 Ho 0.77777777777778 0.55555555555556 0.16666666666667 164.930 > 82 88 Ho 0.11111111111111 0.88888888888889 0.16666666666667 164.930 > 82 89 Ho 0.44444444444444 0.88888888888889 0.16666666666667 164.930 > 82 90 Ho 0.77777777777778 0.88888888888889 0.16666666666667 164.930 > 82 91 Ho 0.00000000000000 0.00000000000000 0.50000000000000 164.930 > 82 92 Ho 0.33333333333333 0.00000000000000 0.50000000000000 164.930 > 82 93 Ho 0.66666666666667 0.00000000000000 0.50000000000000 164.930 > 82 94 Ho 0.00000000000000 0.33333333333333 0.50000000000000 164.930 > 82 95 Ho 0.33333333333333 0.33333333333333 0.50000000000000 164.930 > 82 96 Ho 0.66666666666667 0.33333333333333 0.50000000000000 164.930 > 82 97 Ho 0.00000000000000 0.66666666666667 0.50000000000000 164.930 > 82 98 Ho 0.33333333333333 0.66666666666667 0.50000000000000 164.930 > 82 99 Ho 0.66666666666667 0.66666666666667 0.50000000000000 164.930 > 82 100 Ho 0.22222222222222 0.11111111111111 0.83333333333333 164.930 > 82 101 Ho 0.55555555555556 0.11111111111111 0.83333333333333 164.930 > 82 102 Ho 0.88888888888889 0.11111111111111 0.83333333333333 164.930 > 82 103 Ho 0.22222222222222 0.44444444444444 0.83333333333333 164.930 > 82 104 Ho 0.55555555555556 0.44444444444444 0.83333333333333 164.930 > 82 105 Ho 0.88888888888889 0.44444444444444 0.83333333333333 164.930 > 82 106 Ho 0.22222222222222 0.77777777777778 0.83333333333333 164.930 > 82 107 Ho 0.55555555555556 0.77777777777778 0.83333333333333 164.930 > 82 108 Ho 0.88888888888889 0.77777777777778 0.83333333333333 164.930 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.5849185 0.0000000 0.0000000 0.0000000 5.5849185 0.0000000 0.0000000 0.0000000 4.3422712 -------------------------- Born effective charges -------------------------- 1 S -2.7371510 0.0000000 0.0000000 0.0000000 -2.7371510 0.0000000 0.0000000 0.0000000 -1.8936210 2 S -2.7371510 0.0000000 0.0000000 0.0000000 -2.7371510 0.0000000 0.0000000 0.0000000 -1.8936210 3 Rb 1.0530058 -0.0000000 0.0000000 0.0000000 1.0530058 0.0000000 0.0000000 0.0000000 1.9184868 4 Ho 4.4212962 -0.0000000 0.0000000 0.0000000 4.4212962 0.0000000 0.0000000 0.0000000 1.8687551 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 55, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 82, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxz) 0.00000000 (xxz) 0.00000000 (xzx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:19:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:19:12]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.001173800784691 1.155378232578266 7.582198969999992 b -2.001173800784687 1.155378232578266 7.582198969999992 c 0.000000000000002 -2.310756465156534 7.582198969999992 Atomic positions (fractional): 1 S 0.76946445293203 0.76946445293203 0.76946445293204 32.065 2 S 0.23053554706797 0.23053554706797 0.23053554706797 32.065 3 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 4 Ho 0.50000000000000 0.50000000000000 0.50000000000000 164.930 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.007042804708133 0.000000000000000 0.000000000000000 b -6.003521402354067 10.398404093204400 0.000000000000000 c 0.000000000000000 0.000000000000000 22.746596910000001 Atomic positions (fractional): 1 S 0.22222222222222 0.11111111111111 0.10279778626537 32.065 > 1 2 S 0.55555555555556 0.11111111111111 0.10279778626537 32.065 > 1 3 S 0.88888888888889 0.11111111111111 0.10279778626537 32.065 > 1 4 S 0.22222222222222 0.44444444444444 0.10279778626537 32.065 > 1 5 S 0.55555555555556 0.44444444444444 0.10279778626537 32.065 > 1 6 S 0.88888888888889 0.44444444444444 0.10279778626537 32.065 > 1 7 S 0.22222222222222 0.77777777777778 0.10279778626537 32.065 > 1 8 S 0.55555555555556 0.77777777777778 0.10279778626537 32.065 > 1 9 S 0.88888888888889 0.77777777777778 0.10279778626537 32.065 > 1 10 S 0.00000000000000 0.00000000000000 0.23053554706797 32.065 > 10 11 S 0.33333333333333 0.00000000000000 0.23053554706797 32.065 > 10 12 S 0.66666666666667 0.00000000000000 0.23053554706797 32.065 > 10 13 S 0.00000000000000 0.33333333333333 0.23053554706797 32.065 > 10 14 S 0.33333333333333 0.33333333333333 0.23053554706797 32.065 > 10 15 S 0.66666666666667 0.33333333333333 0.23053554706797 32.065 > 10 16 S 0.00000000000000 0.66666666666667 0.23053554706797 32.065 > 10 17 S 0.33333333333333 0.66666666666667 0.23053554706797 32.065 > 10 18 S 0.66666666666667 0.66666666666667 0.23053554706797 32.065 > 10 19 S 0.11111111111111 0.22222222222222 0.43613111959870 32.065 > 1 20 S 0.44444444444444 0.22222222222222 0.43613111959870 32.065 > 1 21 S 0.77777777777778 0.22222222222222 0.43613111959870 32.065 > 1 22 S 0.11111111111111 0.55555555555556 0.43613111959870 32.065 > 1 23 S 0.44444444444444 0.55555555555556 0.43613111959870 32.065 > 1 24 S 0.77777777777778 0.55555555555556 0.43613111959870 32.065 > 1 25 S 0.11111111111111 0.88888888888889 0.43613111959870 32.065 > 1 26 S 0.44444444444444 0.88888888888889 0.43613111959870 32.065 > 1 27 S 0.77777777777778 0.88888888888889 0.43613111959870 32.065 > 1 28 S 0.22222222222222 0.11111111111111 0.56386888040130 32.065 > 10 29 S 0.55555555555556 0.11111111111111 0.56386888040130 32.065 > 10 30 S 0.88888888888889 0.11111111111111 0.56386888040130 32.065 > 10 31 S 0.22222222222222 0.44444444444444 0.56386888040130 32.065 > 10 32 S 0.55555555555556 0.44444444444444 0.56386888040130 32.065 > 10 33 S 0.88888888888889 0.44444444444444 0.56386888040130 32.065 > 10 34 S 0.22222222222222 0.77777777777778 0.56386888040130 32.065 > 10 35 S 0.55555555555556 0.77777777777778 0.56386888040130 32.065 > 10 36 S 0.88888888888889 0.77777777777778 0.56386888040130 32.065 > 10 37 S 0.00000000000000 0.00000000000000 0.76946445293204 32.065 > 1 38 S 0.33333333333333 0.00000000000000 0.76946445293204 32.065 > 1 39 S 0.66666666666667 0.00000000000000 0.76946445293204 32.065 > 1 40 S 0.00000000000000 0.33333333333333 0.76946445293204 32.065 > 1 41 S 0.33333333333333 0.33333333333333 0.76946445293204 32.065 > 1 42 S 0.66666666666667 0.33333333333333 0.76946445293204 32.065 > 1 43 S 0.00000000000000 0.66666666666667 0.76946445293204 32.065 > 1 44 S 0.33333333333333 0.66666666666667 0.76946445293204 32.065 > 1 45 S 0.66666666666667 0.66666666666667 0.76946445293204 32.065 > 1 46 S 0.11111111111111 0.22222222222222 0.89720221373463 32.065 > 10 47 S 0.44444444444444 0.22222222222222 0.89720221373463 32.065 > 10 48 S 0.77777777777778 0.22222222222222 0.89720221373463 32.065 > 10 49 S 0.11111111111111 0.55555555555556 0.89720221373463 32.065 > 10 50 S 0.44444444444444 0.55555555555556 0.89720221373463 32.065 > 10 51 S 0.77777777777778 0.55555555555556 0.89720221373463 32.065 > 10 52 S 0.11111111111111 0.88888888888889 0.89720221373463 32.065 > 10 53 S 0.44444444444444 0.88888888888889 0.89720221373463 32.065 > 10 54 S 0.77777777777778 0.88888888888889 0.89720221373463 32.065 > 10 55 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 55 56 Rb 0.33333333333333 0.00000000000000 0.00000000000000 85.468 > 55 57 Rb 0.66666666666667 0.00000000000000 0.00000000000000 85.468 > 55 58 Rb 0.00000000000000 0.33333333333333 0.00000000000000 85.468 > 55 59 Rb 0.33333333333333 0.33333333333333 0.00000000000000 85.468 > 55 60 Rb 0.66666666666667 0.33333333333333 0.00000000000000 85.468 > 55 61 Rb 0.00000000000000 0.66666666666667 0.00000000000000 85.468 > 55 62 Rb 0.33333333333333 0.66666666666667 0.00000000000000 85.468 > 55 63 Rb 0.66666666666667 0.66666666666667 0.00000000000000 85.468 > 55 64 Rb 0.22222222222222 0.11111111111111 0.33333333333333 85.468 > 55 65 Rb 0.55555555555556 0.11111111111111 0.33333333333333 85.468 > 55 66 Rb 0.88888888888889 0.11111111111111 0.33333333333333 85.468 > 55 67 Rb 0.22222222222222 0.44444444444444 0.33333333333333 85.468 > 55 68 Rb 0.55555555555556 0.44444444444444 0.33333333333333 85.468 > 55 69 Rb 0.88888888888889 0.44444444444444 0.33333333333333 85.468 > 55 70 Rb 0.22222222222222 0.77777777777778 0.33333333333333 85.468 > 55 71 Rb 0.55555555555556 0.77777777777778 0.33333333333333 85.468 > 55 72 Rb 0.88888888888889 0.77777777777778 0.33333333333333 85.468 > 55 73 Rb 0.11111111111111 0.22222222222222 0.66666666666667 85.468 > 55 74 Rb 0.44444444444444 0.22222222222222 0.66666666666667 85.468 > 55 75 Rb 0.77777777777778 0.22222222222222 0.66666666666667 85.468 > 55 76 Rb 0.11111111111111 0.55555555555556 0.66666666666667 85.468 > 55 77 Rb 0.44444444444444 0.55555555555556 0.66666666666667 85.468 > 55 78 Rb 0.77777777777778 0.55555555555556 0.66666666666667 85.468 > 55 79 Rb 0.11111111111111 0.88888888888889 0.66666666666667 85.468 > 55 80 Rb 0.44444444444444 0.88888888888889 0.66666666666667 85.468 > 55 81 Rb 0.77777777777778 0.88888888888889 0.66666666666667 85.468 > 55 82 Ho 0.11111111111111 0.22222222222222 0.16666666666667 164.930 > 82 83 Ho 0.44444444444444 0.22222222222222 0.16666666666667 164.930 > 82 84 Ho 0.77777777777778 0.22222222222222 0.16666666666667 164.930 > 82 85 Ho 0.11111111111111 0.55555555555556 0.16666666666667 164.930 > 82 86 Ho 0.44444444444444 0.55555555555556 0.16666666666667 164.930 > 82 87 Ho 0.77777777777778 0.55555555555556 0.16666666666667 164.930 > 82 88 Ho 0.11111111111111 0.88888888888889 0.16666666666667 164.930 > 82 89 Ho 0.44444444444444 0.88888888888889 0.16666666666667 164.930 > 82 90 Ho 0.77777777777778 0.88888888888889 0.16666666666667 164.930 > 82 91 Ho 0.00000000000000 0.00000000000000 0.50000000000000 164.930 > 82 92 Ho 0.33333333333333 0.00000000000000 0.50000000000000 164.930 > 82 93 Ho 0.66666666666667 0.00000000000000 0.50000000000000 164.930 > 82 94 Ho 0.00000000000000 0.33333333333333 0.50000000000000 164.930 > 82 95 Ho 0.33333333333333 0.33333333333333 0.50000000000000 164.930 > 82 96 Ho 0.66666666666667 0.33333333333333 0.50000000000000 164.930 > 82 97 Ho 0.00000000000000 0.66666666666667 0.50000000000000 164.930 > 82 98 Ho 0.33333333333333 0.66666666666667 0.50000000000000 164.930 > 82 99 Ho 0.66666666666667 0.66666666666667 0.50000000000000 164.930 > 82 100 Ho 0.22222222222222 0.11111111111111 0.83333333333333 164.930 > 82 101 Ho 0.55555555555556 0.11111111111111 0.83333333333333 164.930 > 82 102 Ho 0.88888888888889 0.11111111111111 0.83333333333333 164.930 > 82 103 Ho 0.22222222222222 0.44444444444444 0.83333333333333 164.930 > 82 104 Ho 0.55555555555556 0.44444444444444 0.83333333333333 164.930 > 82 105 Ho 0.88888888888889 0.44444444444444 0.83333333333333 164.930 > 82 106 Ho 0.22222222222222 0.77777777777778 0.83333333333333 164.930 > 82 107 Ho 0.55555555555556 0.77777777777778 0.83333333333333 164.930 > 82 108 Ho 0.88888888888889 0.77777777777778 0.83333333333333 164.930 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.5849185 0.0000000 0.0000000 0.0000000 5.5849185 0.0000000 0.0000000 0.0000000 4.3422712 -------------------------- Born effective charges -------------------------- 1 S -2.7371510 0.0000000 0.0000000 0.0000000 -2.7371510 0.0000000 0.0000000 0.0000000 -1.8936210 2 S -2.7371510 0.0000000 0.0000000 0.0000000 -2.7371510 0.0000000 0.0000000 0.0000000 -1.8936210 3 Rb 1.0530058 -0.0000000 0.0000000 0.0000000 1.0530058 0.0000000 0.0000000 0.0000000 1.9184868 4 Ho 4.4212962 -0.0000000 0.0000000 0.0000000 4.4212962 0.0000000 0.0000000 0.0000000 1.8687551 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxz) 0.00000000 (xxz) 0.00000000 (xzx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 15 15 15 ] 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: 0.88, Number of G-points: 301, Lambda: 0.21 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/344) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.144 ( 0.000 0.000 0.000) 0.000 2.144 ( 0.000 0.000 0.000) 0.000 3.631 ( 0.000 0.000 0.000) 0.000 5.185 ( 0.000 0.000 0.000) 0.000 5.185 ( 0.000 0.000 0.000) 0.000 6.439 ( 0.000 0.000 0.000) 0.000 6.439 ( 0.000 0.000 0.000) 0.000 7.042 ( 0.000 0.000 0.000) 0.000 8.187 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/344) ======================= q-point: ( 0.07 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.403 ( 18.819 10.865 -5.032) 22.306 0.428 ( 19.738 11.396 -3.978) 23.136 0.852 ( 35.975 20.770 13.503) 43.680 2.151 ( 0.490 0.283 0.621) 0.840 2.192 ( 4.420 2.552 -1.987) 5.477 3.608 ( -2.542 -1.468 1.105) 3.136 5.213 ( 2.435 1.406 0.472) 2.851 6.413 ( -2.351 -1.357 0.234) 2.724 6.422 ( -1.444 -0.833 -0.207) 1.680 7.032 ( 3.951 2.281 -17.857) 18.430 8.107 ( -6.721 -3.880 1.790) 7.964 8.497 ( 0.260 0.150 -0.216) 0.369 ======================= Grid point 2 (3/344) ======================= q-point: ( 0.13 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( 18.650 10.768 -4.995) 22.107 0.850 ( 19.463 11.237 -5.685) 23.182 1.660 ( 32.861 18.973 12.347) 39.903 2.169 ( 0.934 0.539 1.283) 1.677 2.318 ( 7.518 4.341 -4.500) 9.778 3.533 ( -4.214 -2.433 0.034) 4.866 5.296 ( 4.794 2.768 0.791) 5.592 6.336 ( -4.530 -2.616 0.101) 5.232 6.379 ( -2.194 -1.267 -0.369) 2.560 7.083 ( 3.717 2.146 -6.583) 7.859 7.928 ( -9.492 -5.480 2.390) 11.218 8.474 ( -2.051 -1.184 -3.571) 4.285 ======================= Grid point 3 (4/344) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( 17.576 10.148 -5.065) 20.918 1.252 ( 18.314 10.573 -7.723) 22.513 2.199 ( 1.342 0.775 2.029) 2.553 2.313 ( 18.297 10.564 9.332) 23.096 2.532 ( 17.020 9.827 -6.601) 20.732 3.433 ( -4.670 -2.696 2.785) 6.069 5.427 ( 6.706 3.872 0.891) 7.795 6.225 ( -5.015 -2.895 -0.394) 5.804 6.330 ( -1.876 -1.083 -0.456) 2.214 7.145 ( 2.462 1.421 -0.995) 3.012 7.709 ( -10.735 -6.198 1.996) 12.556 8.390 ( -3.911 -2.258 -5.844) 7.385 ======================= Grid point 4 (5/344) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( 14.985 8.651 -5.246) 18.081 1.611 ( 16.161 9.331 -9.293) 20.847 2.241 ( 1.830 1.056 2.837) 3.537 2.533 ( 5.823 3.362 -0.661) 6.757 2.960 ( 14.442 8.338 -3.464) 17.032 3.390 ( 1.775 1.025 9.602) 9.819 5.590 ( 7.440 4.295 0.795) 8.627 6.131 ( -2.833 -1.636 -1.048) 3.435 6.300 ( -0.576 -0.332 -0.446) 0.800 7.168 ( -0.956 -0.552 2.389) 2.631 7.466 ( -11.373 -6.566 -0.030) 13.133 8.289 ( -3.051 -1.761 -6.121) 7.062 ======================= Grid point 5 (6/344) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( 10.655 6.152 -5.113) 13.324 1.912 ( 13.380 7.725 -9.603) 18.192 2.299 ( 2.562 1.479 3.323) 4.449 2.634 ( 3.866 2.232 -1.955) 4.873 3.039 ( -3.236 -1.869 2.184) 4.329 3.606 ( 11.383 6.572 6.285) 14.570 5.748 ( 6.337 3.659 0.560) 7.339 6.108 ( 1.329 0.767 -1.650) 2.253 6.305 ( 1.141 0.659 -0.327) 1.357 7.096 ( -7.780 -4.492 5.791) 10.688 7.224 ( -8.210 -4.740 -4.957) 10.698 8.235 ( -0.367 -0.212 -3.922) 3.944 ======================= Grid point 6 (7/344) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.983 ( 5.556 3.208 -3.710) 7.412 2.149 ( 10.249 5.917 -8.110) 14.347 2.371 ( 2.869 1.656 2.590) 4.205 2.691 ( 1.398 0.807 -1.670) 2.323 2.949 ( -4.802 -2.772 6.277) 8.375 3.824 ( 6.665 3.848 1.977) 7.946 5.864 ( 3.823 2.207 0.278) 4.423 6.180 ( 5.498 3.174 -1.967) 6.646 6.343 ( 2.037 1.176 -0.152) 2.357 6.858 ( -12.734 -7.352 2.744) 14.958 7.100 ( -3.193 -1.843 -3.016) 4.763 8.239 ( 1.078 0.622 -1.501) 1.950 ======================= Grid point 7 (8/344) ======================= q-point: ( 0.47 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( 1.589 0.917 -1.278) 2.236 2.308 ( 4.964 2.866 -3.895) 6.930 2.426 ( 1.303 0.752 0.894) 1.750 2.679 ( -1.542 -0.890 0.159) 1.787 2.895 ( -1.257 -0.726 3.067) 3.393 3.919 ( 1.927 1.113 0.292) 2.244 5.920 ( 1.207 0.697 0.073) 1.395 6.328 ( 7.512 4.337 -1.622) 8.825 6.380 ( 1.016 0.586 -0.034) 1.173 6.598 ( -10.112 -5.838 1.388) 11.758 7.046 ( -1.118 -0.646 -0.915) 1.582 8.258 ( 0.609 0.351 -0.298) 0.763 ======================= Grid point 16 (9/344) ======================= q-point: ( 0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.491 ( -0.000 21.068 14.036) 25.316 0.508 ( -0.000 23.210 10.484) 25.468 0.804 ( -0.000 39.701 5.159) 40.034 2.137 ( 0.000 0.006 -2.471) 2.471 2.201 ( -0.000 5.710 -0.098) 5.711 3.610 ( -0.000 -4.061 1.546) 4.345 5.209 ( 0.000 2.620 -0.484) 2.664 6.411 ( 0.000 -2.796 -0.368) 2.820 6.424 ( -0.000 -1.573 0.261) 1.595 6.948 ( 0.000 11.491 -33.823) 35.722 8.114 ( -0.000 -7.822 2.840) 8.321 8.509 ( -0.000 0.105 1.947) 1.950 ======================= Grid point 17 (10/344) ======================= q-point: ( 0.13 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( 3.086 18.541 10.672) 21.615 0.882 ( 7.304 25.385 -1.394) 26.452 1.435 ( 24.236 29.686 10.904) 39.844 2.149 ( 2.057 0.117 -2.302) 3.089 2.283 ( 2.292 7.748 -1.789) 8.276 3.550 ( -2.021 -4.484 -1.214) 5.066 5.265 ( 2.886 3.853 0.020) 4.814 6.360 ( -2.115 -4.136 -0.271) 4.653 6.394 ( -1.349 -1.771 0.104) 2.229 7.007 ( 4.565 5.332 -16.516) 17.945 7.992 ( -5.193 -9.133 3.439) 11.055 8.492 ( -2.069 -0.468 -1.371) 2.526 ======================= Grid point 18 (11/344) ======================= q-point: ( 0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( 12.211 14.054 3.715) 18.985 1.235 ( 8.097 22.988 -4.869) 24.854 2.118 ( 21.010 17.622 8.760) 28.787 2.196 ( 4.409 3.265 1.214) 5.619 2.421 ( 6.467 10.687 -5.584) 13.683 3.461 ( -2.585 -4.906 -0.208) 5.549 5.376 ( 5.032 5.196 0.556) 7.255 6.264 ( -3.905 -4.530 -0.411) 5.994 6.353 ( -1.761 -0.923 -0.167) 1.996 7.089 ( 4.666 2.309 -7.120) 8.820 7.802 ( -7.993 -9.157 3.437) 12.631 8.419 ( -4.139 -2.075 -4.255) 6.288 ======================= Grid point 19 (12/344) ======================= q-point: ( 0.27 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( 14.397 10.840 -0.738) 18.036 1.559 ( 8.367 19.145 -6.571) 21.903 2.241 ( 2.012 2.862 0.615) 3.552 2.462 ( 6.373 3.878 0.297) 7.466 2.802 ( 17.152 17.376 -1.564) 24.466 3.393 ( -0.091 -3.308 5.218) 6.179 5.530 ( 6.297 6.303 0.821) 8.948 6.158 ( -3.480 -3.447 -0.867) 4.974 6.323 ( -1.549 0.780 -0.381) 1.775 7.151 ( 2.705 -0.174 -2.211) 3.498 7.575 ( -9.894 -8.915 2.613) 13.572 8.305 ( -4.162 -2.806 -5.728) 7.616 ======================= Grid point 20 (13/344) ======================= q-point: ( 0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( 13.038 7.944 -3.341) 15.629 1.838 ( 7.698 15.052 -7.374) 18.444 2.308 ( 1.409 4.486 1.995) 5.108 2.575 ( 4.775 2.100 -2.128) 5.634 3.057 ( 1.483 2.646 -1.417) 3.348 3.510 ( 10.068 5.813 8.211) 14.233 5.700 ( 5.934 6.714 0.857) 9.002 6.095 ( -0.525 -1.149 -1.431) 1.909 6.319 ( -0.690 2.581 -0.486) 2.715 7.152 ( -1.096 -2.048 0.321) 2.345 7.317 ( -11.314 -8.561 0.132) 14.188 8.218 ( -1.073 -2.345 -4.598) 5.272 ======================= Grid point 21 (14/344) ======================= q-point: ( 0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( 9.137 5.454 -3.764) 11.287 2.061 ( 6.811 10.912 -7.401) 14.840 2.385 ( 1.045 5.526 2.563) 6.180 2.653 ( 3.403 1.047 -1.918) 4.045 3.019 ( -4.187 -2.012 3.755) 5.973 3.753 ( 8.188 5.364 3.679) 10.458 5.848 ( 3.675 6.353 0.682) 7.371 6.117 ( 3.651 1.239 -1.870) 4.285 6.345 ( 0.359 3.566 -0.423) 3.609 7.017 ( -13.110 -6.696 3.355) 15.098 7.113 ( -2.237 -3.239 -4.079) 5.669 8.199 ( 2.046 -1.884 -2.126) 3.501 ======================= Grid point 22 (15/344) ======================= q-point: ( 0.47 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.026 ( 3.671 3.708 -2.485) 5.779 2.237 ( 6.290 6.801 -5.963) 11.017 2.453 ( -0.248 5.135 2.067) 5.541 2.687 ( 0.383 -0.044 -1.131) 1.195 2.941 ( -4.021 -1.233 4.124) 5.890 3.892 ( 3.597 2.022 1.610) 4.430 5.942 ( 0.430 5.667 0.365) 5.695 6.220 ( 6.878 1.826 -1.795) 7.339 6.391 ( 0.892 3.790 -0.319) 3.907 6.742 ( -12.554 -5.499 1.117) 13.751 7.055 ( -1.337 -1.283 -1.428) 2.340 8.219 ( 2.728 -2.169 -0.559) 3.529 ======================= Grid point 23 (16/344) ======================= q-point: (-0.47 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( -0.418 1.903 -0.549) 2.025 2.340 ( 1.087 1.881 -1.216) 2.490 2.475 ( -2.587 3.217 0.757) 4.197 2.676 ( -0.530 0.946 -0.392) 1.153 2.895 ( -1.649 0.310 -0.665) 1.805 3.932 ( -0.081 -0.307 1.315) 1.353 5.973 ( -2.652 4.446 0.063) 5.178 6.312 ( 2.521 -3.195 -0.150) 4.072 6.451 ( -1.049 3.212 -0.272) 3.390 6.552 ( -2.357 2.013 0.163) 3.104 7.038 ( 0.345 0.089 0.163) 0.391 8.233 ( 1.787 -2.882 0.069) 3.392 ======================= Grid point 24 (17/344) ======================= q-point: (-0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.045 ( -3.923 -1.057 1.856) 4.467 2.286 ( -7.210 -1.925 5.061) 9.017 2.438 ( -4.891 2.333 -1.402) 5.597 2.695 ( 0.547 0.099 0.647) 0.854 2.895 ( 1.906 2.681 -6.183) 7.004 3.887 ( -4.522 -2.246 0.619) 5.087 5.940 ( -5.194 2.259 -0.202) 5.668 6.235 ( -4.671 -4.990 1.661) 7.034 6.393 ( -3.877 1.318 0.329) 4.109 6.728 ( 10.651 8.103 -2.062) 13.541 7.069 ( 2.549 0.724 1.835) 3.223 8.226 ( 0.930 -3.252 0.843) 3.486 ======================= Grid point 25 (18/344) ======================= q-point: (-0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( -8.448 -5.603 4.420) 11.059 2.126 ( -11.941 -1.307 7.324) 14.069 2.361 ( -5.593 2.047 -2.907) 6.627 2.668 ( -2.356 -2.579 1.477) 3.793 2.978 ( 5.376 3.948 -5.585) 8.700 3.727 ( -10.812 -4.758 -2.085) 11.995 5.843 ( -7.383 -0.240 -0.468) 7.402 6.134 ( -2.994 -2.607 1.809) 4.363 6.349 ( -3.318 1.677 0.388) 3.738 6.979 ( 10.441 7.244 -4.964) 13.643 7.151 ( 5.638 0.989 4.193) 7.095 8.220 ( 1.522 -2.395 2.582) 3.837 ======================= Grid point 26 (19/344) ======================= q-point: (-0.27 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( -13.221 -9.006 5.459) 16.902 1.905 ( -16.433 -0.269 7.586) 18.102 2.286 ( -4.441 1.815 -3.090) 5.707 2.587 ( -4.291 -3.436 0.746) 5.548 3.073 ( 0.275 1.966 2.061) 2.862 3.437 ( -13.163 -6.363 -8.233) 16.779 5.693 ( -8.800 -1.904 -0.673) 9.029 6.108 ( 1.030 -0.242 1.319) 1.691 6.323 ( -1.932 1.963 0.441) 2.789 7.128 ( 3.768 2.093 -4.745) 6.411 7.329 ( 11.189 3.539 2.454) 11.989 8.259 ( 3.573 -0.292 4.566) 5.805 ======================= Grid point 27 (20/344) ======================= q-point: (-0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( -16.770 -10.151 4.702) 20.159 1.620 ( -20.613 0.977 7.008) 21.794 2.228 ( -3.228 1.007 -2.226) 4.048 2.447 ( -9.069 -4.661 -2.532) 10.507 2.828 ( -24.506 -6.354 3.715) 25.588 3.344 ( 6.024 0.472 -5.803) 8.378 5.523 ( -8.614 -2.224 -0.715) 8.925 6.165 ( 4.505 1.184 0.640) 4.702 6.326 ( 0.071 1.647 0.380) 1.692 7.152 ( 0.076 -0.585 -2.081) 2.163 7.562 ( 11.873 3.434 -0.289) 12.363 8.352 ( 4.864 1.250 4.686) 6.868 ======================= Grid point 28 (21/344) ======================= q-point: (-0.13 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( -18.742 -8.392 2.977) 20.750 1.281 ( -23.900 2.112 5.362) 24.585 2.046 ( -30.372 -7.902 -6.215) 31.992 2.188 ( -2.342 0.133 -1.424) 2.745 2.461 ( -12.749 -2.380 3.292) 13.381 3.457 ( 6.554 0.902 -0.967) 6.686 5.371 ( -7.016 -1.426 -0.511) 7.178 6.267 ( 5.733 1.135 0.106) 5.845 6.355 ( 1.674 0.856 0.228) 1.894 7.123 ( -1.888 -0.912 0.354) 2.126 7.783 ( 11.474 2.203 -0.810) 11.712 8.450 ( 3.698 1.013 2.655) 4.663 ======================= Grid point 29 (22/344) ======================= q-point: (-0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.611 ( -19.189 0.000 0.000) 19.189 0.891 ( -25.802 0.000 0.000) 25.802 1.384 ( -39.528 0.000 0.000) 39.528 2.159 ( -1.090 0.000 0.000) 1.090 2.291 ( -7.995 0.000 0.000) 7.995 3.555 ( 4.594 -0.000 -0.000) 4.594 5.264 ( -4.759 0.000 0.000) 4.759 6.362 ( 4.617 -0.000 -0.000) 4.617 6.394 ( 2.196 -0.000 -0.000) 2.196 7.084 ( -2.173 0.000 0.000) 2.173 7.976 ( 10.240 -0.000 -0.000) 10.240 8.498 ( 1.048 -0.000 -0.000) 1.048 ======================= Grid point 32 (23/344) ======================= q-point: ( 0.13 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( -0.000 20.531 12.603) 24.091 1.012 ( -0.000 23.076 8.825) 24.705 1.573 ( -0.000 36.586 5.120) 36.942 2.116 ( 0.000 0.018 -4.716) 4.716 2.352 ( -0.000 10.019 -0.874) 10.057 3.508 ( 0.000 -6.174 -2.643) 6.716 5.282 ( -0.000 5.373 -0.665) 5.414 6.330 ( 0.000 -5.029 -0.507) 5.055 6.386 ( -0.000 -2.434 0.378) 2.463 6.976 ( 0.000 6.361 -16.534) 17.715 7.945 ( -0.000 -11.127 3.529) 11.673 8.505 ( 0.000 -1.106 -0.423) 1.184 ======================= Grid point 33 (24/344) ======================= q-point: ( 0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( -3.394 20.924 12.627) 24.674 1.341 ( 5.574 22.111 1.115) 22.830 2.051 ( 13.202 25.942 5.825) 29.685 2.136 ( 4.324 1.463 -3.252) 5.605 2.466 ( 1.653 13.435 -2.885) 13.840 3.427 ( -0.839 -7.021 -2.357) 7.454 5.365 ( 3.031 6.622 -0.179) 7.285 6.263 ( -1.879 -5.297 -0.425) 5.636 6.360 ( -0.432 -1.785 0.226) 1.851 7.016 ( 3.458 3.357 -11.070) 12.074 7.812 ( -3.871 -11.331 3.514) 12.479 8.458 ( -3.459 -2.120 -1.815) 4.444 ======================= Grid point 34 (25/344) ======================= q-point: ( 0.27 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( 2.605 18.412 8.479) 20.437 1.624 ( 5.002 19.517 -3.458) 20.442 2.205 ( 5.198 2.672 -3.712) 6.923 2.417 ( 5.444 6.990 3.100) 9.387 2.745 ( 11.708 22.728 -2.583) 25.696 3.353 ( 0.720 -6.046 1.942) 6.391 5.504 ( 5.131 7.807 0.605) 9.362 6.172 ( -2.936 -4.294 -0.680) 5.245 6.346 ( -0.253 0.259 -0.154) 0.394 7.073 ( 4.237 -0.150 -6.471) 7.736 7.628 ( -6.578 -10.683 3.449) 13.011 8.346 ( -5.534 -2.932 -3.587) 7.217 ======================= Grid point 35 (26/344) ======================= q-point: ( 0.33 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( 5.724 14.154 3.514) 15.667 1.867 ( 5.090 16.153 -5.056) 17.675 2.318 ( 4.311 5.270 -1.028) 6.886 2.522 ( 3.113 3.035 -0.919) 4.444 3.045 ( 3.947 6.700 -4.283) 8.878 3.426 ( 8.993 4.946 7.706) 12.834 5.680 ( 5.775 8.560 1.229) 10.399 6.095 ( -1.785 -2.130 -1.219) 3.035 6.356 ( -0.192 2.883 -0.672) 2.966 7.103 ( 2.767 -2.937 -4.294) 5.892 7.411 ( -9.040 -9.473 3.258) 13.493 8.219 ( -4.163 -3.137 -3.996) 6.567 ======================= Grid point 36 (27/344) ======================= q-point: ( 0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( 6.576 10.205 0.197) 12.142 2.068 ( 4.165 12.491 -5.379) 14.224 2.433 ( 2.074 7.240 1.164) 7.621 2.596 ( 3.680 1.352 -1.281) 4.124 3.060 ( -1.435 -1.302 0.660) 2.047 3.679 ( 8.868 7.149 3.762) 11.996 5.854 ( 4.569 8.291 1.533) 9.590 6.078 ( 1.392 0.517 -1.769) 2.310 6.387 ( -0.304 4.697 -1.095) 4.832 7.081 ( 0.141 -4.555 -5.028) 6.786 7.169 ( -11.040 -6.746 3.891) 13.510 8.143 ( 0.055 -3.254 -2.497) 4.102 ======================= Grid point 37 (28/344) ======================= q-point: ( 0.47 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.998 ( 4.853 7.548 -0.969) 9.026 2.215 ( 3.394 8.508 -4.962) 10.418 2.524 ( -0.127 6.416 2.310) 6.820 2.657 ( 2.741 0.492 -0.913) 2.931 3.016 ( -3.541 0.509 2.445) 4.333 3.846 ( 4.896 2.557 1.408) 5.700 5.990 ( 2.165 7.268 1.267) 7.689 6.138 ( 4.422 2.269 -1.808) 5.289 6.424 ( -0.280 4.504 -1.229) 4.677 6.897 ( -11.361 -5.475 -0.550) 12.624 7.058 ( -1.261 -1.412 -0.367) 1.928 8.134 ( 3.097 -3.896 -0.852) 5.050 ======================= Grid point 38 (29/344) ======================= q-point: ( 0.53 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( 0.590 5.360 -0.857) 5.460 2.323 ( 3.145 4.830 -3.387) 6.685 2.552 ( -2.353 2.334 2.313) 4.042 2.689 ( 0.684 0.666 -0.423) 1.045 2.972 ( -5.031 4.345 0.171) 6.650 3.915 ( 2.234 -0.685 1.495) 2.774 6.068 ( -1.406 6.401 0.588) 6.580 6.231 ( 4.482 0.299 -0.979) 4.597 6.463 ( 1.338 2.913 -1.089) 3.386 6.685 ( -9.810 0.356 0.529) 9.831 7.040 ( -0.298 0.185 -0.239) 0.424 8.149 ( 3.513 -4.799 -0.113) 5.948 ======================= Grid point 39 (30/344) ======================= q-point: (-0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.115 ( -3.595 2.298 0.256) 4.275 2.364 ( -1.804 0.831 0.796) 2.140 2.527 ( -2.697 1.721 -0.064) 3.200 2.694 ( -0.155 -0.395 0.171) 0.457 2.935 ( -4.469 6.236 -3.795) 8.559 3.921 ( -0.910 -1.911 2.070) 2.960 6.062 ( -5.295 3.863 -0.064) 6.554 6.245 ( -1.128 -3.367 0.588) 3.599 6.478 ( -2.706 1.198 0.513) 3.004 6.669 ( 3.766 8.571 -1.151) 9.432 7.049 ( 0.932 0.470 0.724) 1.270 8.154 ( 2.835 -5.246 0.336) 5.972 ======================= Grid point 40 (31/344) ======================= q-point: (-0.33 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.027 ( -7.583 -1.936 2.007) 8.080 2.297 ( -7.016 0.231 4.002) 8.081 2.483 ( -5.467 3.146 -1.968) 6.608 2.672 ( -0.964 -2.895 0.935) 3.191 2.943 ( 0.730 5.589 -5.717) 8.029 3.843 ( -6.903 -2.686 1.096) 7.488 5.975 ( -7.582 1.115 -0.355) 7.671 6.167 ( -3.644 -2.920 1.320) 4.852 6.443 ( -4.302 3.430 0.866) 5.570 6.870 ( 9.571 7.933 -3.179) 12.831 7.087 ( 3.253 -0.472 2.309) 4.017 8.154 ( 2.949 -4.365 1.268) 5.418 ======================= Grid point 41 (32/344) ======================= q-point: (-0.27 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( -11.702 -4.306 3.110) 12.851 2.158 ( -11.693 0.479 4.180) 12.426 2.403 ( -6.853 3.466 -2.086) 7.958 2.613 ( -2.555 -3.502 0.756) 4.401 3.030 ( 5.488 3.584 -2.908) 7.171 3.629 ( -15.222 -3.864 -1.415) 15.768 5.836 ( -9.357 -0.286 -0.458) 9.372 6.105 ( -1.308 -1.289 1.139) 2.161 6.403 ( -4.394 2.988 0.607) 5.348 7.064 ( 5.852 4.537 -5.448) 9.193 7.183 ( 9.031 -0.154 3.971) 9.867 8.189 ( 4.500 -2.062 2.375) 5.491 ======================= Grid point 42 (33/344) ======================= q-point: (-0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( -16.152 -3.754 2.289) 16.740 1.945 ( -15.660 0.522 3.005) 15.954 2.316 ( -5.984 1.948 -1.239) 6.414 2.524 ( -5.004 -2.501 -0.111) 5.595 3.146 ( -1.514 3.085 6.237) 7.121 3.276 ( -14.561 -4.878 -8.331) 17.470 5.665 ( -10.067 -0.695 -0.344) 10.097 6.112 ( 2.438 0.008 0.534) 2.496 6.365 ( -2.715 1.480 0.274) 3.104 7.128 ( 1.755 0.326 -1.974) 2.661 7.384 ( 12.077 1.242 0.630) 12.157 8.276 ( 5.979 -0.090 2.122) 6.345 ======================= Grid point 43 (34/344) ======================= q-point: (-0.13 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( -19.100 0.000 0.000) 19.100 1.661 ( -19.564 0.000 0.000) 19.564 2.239 ( -4.085 0.000 0.000) 4.085 2.376 ( -12.769 0.000 0.000) 12.769 2.778 ( -26.234 0.000 0.000) 26.234 3.332 ( 8.411 -0.000 -0.000) 8.411 5.498 ( -9.069 0.000 0.000) 9.069 6.179 ( 5.089 -0.000 -0.000) 5.089 6.347 ( -0.263 0.000 0.000) 0.263 7.137 ( -0.256 0.000 0.000) 0.256 7.594 ( 12.119 -0.000 -0.000) 12.119 8.380 ( 5.609 -0.000 -0.000) 5.609 ======================= Grid point 48 (35/344) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( -0.000 19.066 10.610) 21.819 1.488 ( -0.000 21.375 6.361) 22.302 2.084 ( 0.000 0.083 -6.479) 6.480 2.220 ( -0.000 24.462 5.334) 25.037 2.590 ( 0.000 18.053 -3.992) 18.489 3.349 ( 0.000 -8.383 -2.307) 8.695 5.407 ( -0.000 7.883 -0.433) 7.895 6.228 ( 0.000 -4.932 -0.090) 4.933 6.341 ( 0.000 -2.199 0.278) 2.216 6.984 ( 0.000 2.367 -10.446) 10.711 7.740 ( -0.000 -12.017 3.018) 12.391 8.462 ( 0.000 -2.709 -1.094) 2.921 ======================= Grid point 49 (36/344) ======================= q-point: ( 0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( -3.826 18.886 11.070) 22.223 1.734 ( 2.851 17.928 0.579) 18.163 2.116 ( 5.483 1.635 -6.002) 8.292 2.440 ( 2.648 9.880 2.761) 10.594 2.823 ( 4.997 23.511 -5.677) 24.698 3.276 ( 1.258 -6.542 2.328) 7.057 5.515 ( 3.232 8.795 0.155) 9.371 6.170 ( -1.734 -3.739 -0.118) 4.123 6.333 ( 1.057 -0.918 0.064) 1.402 6.990 ( 2.504 -0.530 -7.980) 8.381 7.608 ( -2.929 -11.542 2.706) 12.212 8.395 ( -4.081 -3.066 -1.769) 5.402 ======================= Grid point 50 (37/344) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( -1.773 15.133 7.328) 16.907 1.937 ( 3.388 15.064 -2.385) 15.623 2.253 ( 7.914 4.930 -3.227) 9.866 2.530 ( 0.763 4.514 -0.696) 4.630 3.025 ( 2.881 3.145 -6.818) 8.042 3.373 ( 7.588 10.301 7.738) 14.952 5.678 ( 5.277 9.417 1.145) 10.855 6.107 ( -2.224 -1.749 -0.720) 2.919 6.362 ( 1.968 1.550 -0.534) 2.561 7.000 ( 3.364 -3.696 -5.916) 7.745 7.443 ( -5.144 -10.205 2.734) 11.751 8.270 ( -6.118 -2.982 -2.503) 7.252 ======================= Grid point 51 (38/344) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( 1.528 11.497 3.380) 12.080 2.117 ( 2.941 12.102 -2.955) 12.800 2.428 ( 6.566 6.431 -0.665) 9.215 2.577 ( 1.043 3.419 -0.573) 3.620 3.032 ( 2.081 -3.599 -1.433) 4.397 3.638 ( 6.990 10.985 3.360) 13.447 5.862 ( 5.126 8.994 2.066) 10.556 6.072 ( -0.574 0.781 -1.488) 1.776 6.418 ( 1.632 3.819 -1.525) 4.424 6.992 ( 2.772 -5.438 -4.912) 7.835 7.262 ( -7.022 -7.793 2.984) 10.906 8.142 ( -4.454 -2.903 -2.222) 5.762 ======================= Grid point 52 (39/344) ======================= q-point: ( 0.47 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.017 ( 3.242 9.779 1.769) 10.453 2.243 ( 1.761 8.146 -3.446) 9.018 2.563 ( 3.132 3.801 0.407) 4.942 2.630 ( 1.091 2.987 1.463) 3.500 3.050 ( 2.032 1.070 0.553) 2.362 3.804 ( 3.535 4.187 0.453) 5.498 6.013 ( 3.097 6.266 1.986) 7.267 6.107 ( 2.577 3.913 -1.434) 4.900 6.464 ( -0.015 3.473 -2.439) 4.244 6.955 ( -0.936 -3.991 -3.824) 5.606 7.097 ( -5.779 -3.663 2.802) 7.394 8.064 ( -0.381 -3.733 -1.118) 3.915 ======================= Grid point 53 (40/344) ======================= q-point: ( 0.53 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( 1.535 8.389 0.734) 8.560 2.323 ( 1.584 5.123 -2.785) 6.042 2.603 ( -1.131 0.502 1.338) 1.822 2.665 ( 1.461 -0.768 1.486) 2.221 3.111 ( -1.866 9.301 -0.090) 9.487 3.859 ( 2.559 -1.857 0.100) 3.163 6.114 ( 2.711 4.653 0.616) 5.421 6.190 ( 2.041 3.594 -0.198) 4.138 6.465 ( -0.509 -0.150 -2.340) 2.399 6.853 ( -7.747 2.208 -0.387) 8.065 7.045 ( -0.123 -0.121 0.323) 0.367 8.042 ( 2.691 -5.229 -0.300) 5.888 ======================= Grid point 54 (41/344) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.213 ( -3.218 5.761 0.249) 6.603 2.380 ( 1.135 2.549 -1.288) 3.073 2.568 ( -2.036 -0.774 1.192) 2.483 2.673 ( 0.977 -2.621 0.245) 2.808 3.130 ( -7.965 11.508 -2.016) 14.140 3.880 ( 3.220 -3.812 1.597) 5.239 6.170 ( -2.766 3.593 0.198) 4.539 6.223 ( 0.799 -0.607 -0.145) 1.014 6.465 ( 2.756 -1.108 -0.548) 3.021 6.787 ( -5.728 8.655 0.095) 10.379 7.050 ( -0.143 0.619 -0.031) 0.636 8.042 ( 3.701 -5.962 0.050) 7.017 ======================= Grid point 55 (42/344) ======================= q-point: (-0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.154 ( -7.696 1.267 0.602) 7.823 2.387 ( -2.304 0.946 1.271) 2.796 2.552 ( -0.850 1.647 -1.361) 2.299 2.651 ( 0.017 -3.447 0.311) 3.462 3.066 ( -8.870 7.718 -2.973) 12.128 3.887 ( -0.250 -2.481 1.859) 3.110 6.099 ( -6.458 0.258 -0.117) 6.464 6.202 ( -2.489 -1.274 0.362) 2.819 6.515 ( 1.156 1.717 0.838) 2.234 6.837 ( 1.632 9.128 -1.298) 9.363 7.051 ( 0.687 -1.156 0.642) 1.490 8.053 ( 3.961 -4.812 0.417) 6.246 ======================= Grid point 56 (43/344) ======================= q-point: (-0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.004 ( -10.180 -1.010 0.895) 10.269 2.326 ( -6.762 0.539 1.605) 6.971 2.534 ( -4.422 3.167 -1.687) 5.695 2.610 ( -0.961 -3.546 0.869) 3.776 3.011 ( -1.845 2.965 -2.178) 4.116 3.807 ( -8.257 -1.354 0.610) 8.389 5.980 ( -7.901 -0.091 -0.157) 7.903 6.137 ( -3.450 -0.886 0.464) 3.592 6.510 ( -4.151 2.134 0.628) 4.709 6.988 ( 7.340 6.227 -3.495) 10.241 7.067 ( 3.685 -3.224 2.750) 5.616 8.093 ( 4.823 -2.147 0.709) 5.327 ======================= Grid point 57 (44/344) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( -12.934 0.000 0.000) 12.934 2.177 ( -11.553 0.000 0.000) 11.553 2.441 ( -7.450 0.000 0.000) 7.450 2.570 ( -2.179 0.000 0.000) 2.179 3.060 ( 5.899 -0.000 -0.000) 5.899 3.583 ( -17.598 0.000 0.000) 17.598 5.830 ( -9.836 0.000 0.000) 9.836 6.096 ( -0.703 0.000 0.000) 0.703 6.440 ( -4.953 0.000 0.000) 4.953 7.090 ( 2.657 -0.000 -0.000) 2.657 7.193 ( 11.419 -0.000 -0.000) 11.419 8.175 ( 5.941 -0.000 -0.000) 5.941 ======================= Grid point 64 (45/344) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( -0.000 15.900 8.759) 18.153 1.891 ( -0.000 17.255 2.898) 17.497 2.047 ( 0.000 0.674 -7.728) 7.757 2.511 ( -0.000 7.009 -0.109) 7.010 2.951 ( 0.000 11.916 -9.989) 15.549 3.252 ( -0.000 5.135 8.521) 9.949 5.572 ( -0.000 9.107 0.038) 9.107 6.158 ( -0.000 -2.086 0.340) 2.113 6.311 ( 0.000 -0.909 0.026) 0.910 6.935 ( 0.000 -2.162 -7.193) 7.511 7.527 ( -0.000 -11.321 1.827) 11.467 8.397 ( 0.000 -3.138 -1.265) 3.383 ======================= Grid point 65 (46/344) ======================= q-point: ( 0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.921 ( -4.190 8.742 3.292) 10.238 2.029 ( 1.561 13.587 0.410) 13.682 2.161 ( 8.037 7.377 -2.894) 11.287 2.557 ( 0.311 3.446 -3.609) 4.999 2.961 ( 1.384 -4.517 -4.135) 6.278 3.443 ( 3.579 18.574 7.034) 20.182 5.693 ( 3.745 9.092 0.615) 9.852 6.131 ( -1.846 -0.130 -0.131) 1.855 6.329 ( 2.447 0.569 -0.217) 2.522 6.900 ( 1.731 -4.504 -5.621) 7.408 7.409 ( -2.114 -10.208 1.348) 10.511 8.328 ( -4.193 -2.773 -1.452) 5.233 ======================= Grid point 66 (47/344) ======================= q-point: ( 0.40 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( -0.045 6.943 0.429) 6.957 2.180 ( 1.942 9.910 -0.563) 10.114 2.371 ( 7.790 8.314 0.094) 11.394 2.588 ( 1.665 3.164 -3.685) 5.135 2.930 ( 2.665 -6.722 0.306) 7.238 3.689 ( 3.302 14.946 3.529) 15.708 5.864 ( 5.618 8.672 1.619) 10.459 6.103 ( -1.961 1.872 -1.067) 2.913 6.395 ( 3.708 2.290 -1.092) 4.493 6.871 ( 2.846 -6.197 -4.067) 7.940 7.275 ( -3.519 -8.310 1.240) 9.110 8.209 ( -6.296 -2.091 -1.483) 6.798 ======================= Grid point 67 (48/344) ======================= q-point: ( 0.47 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.060 ( 3.199 7.663 1.171) 8.386 2.279 ( 1.623 5.893 -2.297) 6.530 2.531 ( 3.641 3.530 1.133) 5.197 2.662 ( 1.393 5.008 0.392) 5.213 2.957 ( 7.648 -2.588 0.297) 8.080 3.833 ( -0.075 7.696 0.559) 7.717 6.027 ( 3.440 6.286 2.201) 7.496 6.113 ( 0.871 4.337 -1.427) 4.647 6.466 ( 2.013 1.890 -2.626) 3.811 6.866 ( 4.511 -4.520 -2.395) 6.820 7.146 ( -4.176 -5.489 1.283) 7.015 8.085 ( -5.417 -1.974 -1.033) 5.857 ======================= Grid point 68 (49/344) ======================= q-point: ( 0.53 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( 3.469 7.947 1.273) 8.764 2.343 ( 1.161 4.134 -1.797) 4.655 2.595 ( 2.005 0.544 0.464) 2.128 2.669 ( -2.397 -1.594 2.590) 3.872 3.143 ( 9.373 7.943 0.146) 12.287 3.840 ( -2.857 -0.049 -1.076) 3.054 6.112 ( 1.895 4.267 0.007) 4.668 6.198 ( 2.500 4.344 0.925) 5.097 6.461 ( -1.253 -2.013 -3.042) 3.857 6.923 ( 3.213 1.984 -1.429) 4.038 7.052 ( -2.419 -2.147 1.363) 3.509 7.991 ( -2.422 -3.225 -0.455) 4.059 ======================= Grid point 69 (50/344) ======================= q-point: ( 0.60 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( 0.310 6.983 0.354) 6.998 2.387 ( 0.262 3.278 -0.528) 3.331 2.593 ( -2.709 -2.845 1.202) 4.108 2.624 ( 1.401 -2.614 0.493) 3.006 3.343 ( -0.506 13.590 -0.436) 13.607 3.773 ( 1.315 -7.055 -0.235) 7.180 6.187 ( 2.377 3.070 -0.535) 3.919 6.253 ( -1.003 2.425 1.111) 2.850 6.404 ( 0.532 -3.856 -1.568) 4.196 6.949 ( -3.754 6.055 -0.094) 7.125 7.051 ( 1.296 0.362 0.105) 1.349 7.942 ( 1.164 -4.513 -0.106) 4.662 ======================= Grid point 70 (51/344) ======================= q-point: (-0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( -7.391 2.971 0.251) 7.969 2.412 ( 0.154 1.194 0.076) 1.206 2.555 ( 0.951 -0.825 -0.045) 1.260 2.617 ( 0.252 -2.184 0.028) 2.199 3.321 ( -12.522 7.229 -1.275) 14.515 3.805 ( 7.139 -3.729 1.040) 8.121 6.199 ( -5.381 -0.272 0.086) 5.389 6.223 ( -0.636 0.768 -0.219) 1.021 6.446 ( 6.162 -0.554 0.116) 6.188 6.953 ( -3.315 7.212 0.258) 7.942 7.043 ( -1.482 -1.868 -0.342) 2.409 7.946 ( 3.754 -3.182 0.060) 4.921 ======================= Grid point 71 (52/344) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.168 ( -9.684 0.000 0.000) 9.684 2.404 ( -2.219 0.000 0.000) 2.219 2.580 ( 1.204 -0.000 -0.000) 1.204 2.596 ( -1.052 0.000 0.000) 1.052 3.141 ( -11.061 0.000 0.000) 11.061 3.865 ( 0.633 -0.000 -0.000) 0.633 6.096 ( -6.437 0.000 0.000) 6.437 6.193 ( -3.124 0.000 0.000) 3.124 6.536 ( 3.061 -0.000 -0.000) 3.061 6.960 ( -0.794 0.000 0.000) 0.794 7.011 ( 1.224 -0.000 -0.000) 1.224 8.002 ( 4.635 -0.000 -0.000) 4.635 ======================= Grid point 80 (53/344) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( 0.000 -0.056 -3.872) 3.872 2.157 ( -0.000 12.885 3.046) 13.241 2.160 ( 0.000 9.642 -3.222) 10.166 2.557 ( 0.000 0.834 -6.361) 6.415 2.896 ( -0.000 -5.529 2.266) 5.975 3.624 ( -0.000 19.587 5.770) 20.419 5.742 ( -0.000 7.919 0.374) 7.928 6.158 ( -0.000 1.943 -0.172) 1.951 6.311 ( 0.000 1.015 -0.166) 1.028 6.823 ( 0.000 -5.683 -4.178) 7.053 7.333 ( 0.000 -9.333 0.346) 9.339 8.335 ( 0.000 -2.435 -1.115) 2.678 ======================= Grid point 81 (54/344) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( 0.893 1.477 -3.432) 3.841 2.219 ( 1.401 4.052 -4.618) 6.301 2.342 ( 6.516 10.341 1.208) 12.283 2.559 ( 1.538 1.092 -4.524) 4.902 2.859 ( -0.080 -4.850 4.826) 6.842 3.820 ( 0.572 15.582 3.976) 16.092 5.854 ( 4.623 6.819 0.732) 8.271 6.162 ( -2.170 3.427 -1.021) 4.183 6.353 ( 3.033 2.018 -0.419) 3.667 6.764 ( 1.323 -6.643 -2.475) 7.212 7.238 ( -1.398 -7.739 -0.124) 7.865 8.277 ( -3.984 -1.709 -0.990) 4.447 ======================= Grid point 82 (55/344) ======================= q-point: ( 0.47 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( 4.567 3.773 -0.897) 5.991 2.265 ( 3.304 0.802 -4.651) 5.761 2.532 ( 2.755 5.724 2.320) 6.763 2.637 ( 7.864 5.123 -3.551) 10.035 2.828 ( 1.273 -5.026 4.457) 6.837 3.942 ( -1.914 9.502 1.640) 9.830 6.014 ( 6.049 5.612 1.412) 8.371 6.158 ( -1.792 4.281 -1.608) 4.912 6.428 ( 3.333 1.657 -1.563) 4.037 6.735 ( 3.795 -5.913 -0.786) 7.070 7.144 ( -2.043 -5.469 -0.191) 5.841 8.173 ( -6.298 -0.933 -0.730) 6.409 ======================= Grid point 83 (56/344) ======================= q-point: ( 0.53 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.185 ( 5.898 4.999 0.690) 7.762 2.322 ( 4.091 0.635 -2.550) 4.862 2.584 ( 0.560 1.565 1.035) 1.958 2.713 ( -3.092 -0.467 1.473) 3.456 2.970 ( 15.830 2.973 0.397) 16.111 3.940 ( -6.072 3.425 -0.251) 6.976 6.133 ( 1.630 4.379 0.426) 4.692 6.193 ( 2.058 3.097 -0.061) 3.719 6.451 ( -0.435 -1.302 -2.321) 2.696 6.805 ( 8.999 -1.483 0.060) 9.121 7.071 ( -1.836 -2.529 0.020) 3.125 8.053 ( -6.633 -0.887 -0.385) 6.704 ======================= Grid point 84 (57/344) ======================= q-point: ( 0.60 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.314 ( 4.084 2.857 -0.123) 4.986 2.402 ( 4.029 2.755 -0.090) 4.882 2.596 ( -0.707 -1.181 0.799) 1.592 2.631 ( -4.272 -1.654 0.577) 4.617 3.289 ( 16.468 5.105 0.318) 17.244 3.811 ( -9.981 -1.485 -0.785) 10.121 6.187 ( 1.002 3.215 -0.582) 3.417 6.255 ( 2.980 0.830 1.234) 3.330 6.392 ( -3.227 -2.489 -1.467) 4.331 6.963 ( 8.163 1.467 -0.386) 8.303 7.035 ( -1.120 -0.197 0.409) 1.209 7.943 ( -4.715 -1.371 -0.129) 4.912 ======================= Grid point 85 (58/344) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.373 ( 1.556 -0.000 -0.000) 1.556 2.486 ( -7.298 0.000 0.000) 7.298 2.497 ( 3.919 -0.000 -0.000) 3.919 2.610 ( -0.144 0.000 0.000) 0.144 3.589 ( -13.681 0.000 0.000) 13.681 3.591 ( 14.555 -0.000 -0.000) 14.555 6.217 ( 0.765 -0.000 -0.000) 0.765 6.298 ( -5.257 0.000 0.000) 5.257 6.338 ( 5.578 -0.000 -0.000) 5.578 7.019 ( -1.045 0.000 0.000) 1.045 7.054 ( 0.995 -0.000 -0.000) 0.995 7.893 ( 0.106 -0.000 -0.000) 0.106 ======================= Grid point 96 (59/344) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( 0.000 -0.202 -3.790) 3.796 2.181 ( 0.000 -2.139 -10.449) 10.665 2.382 ( -0.000 8.326 2.536) 8.704 2.560 ( 0.000 2.733 -0.819) 2.853 2.842 ( -0.000 -2.973 5.142) 5.940 3.969 ( -0.000 12.819 3.544) 13.300 5.867 ( -0.000 4.664 0.328) 4.676 6.220 ( 0.000 4.704 -1.658) 4.987 6.345 ( -0.000 2.303 -0.126) 2.307 6.685 ( 0.000 -6.750 -0.577) 6.775 7.180 ( 0.000 -6.310 -0.752) 6.355 8.293 ( 0.000 -1.308 -0.733) 1.499 ======================= Grid point 97 (60/344) ======================= q-point: ( 0.47 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.991 ( 4.310 1.196 -1.558) 4.736 2.159 ( 4.209 -3.500 -7.884) 9.598 2.511 ( 6.469 5.780 1.298) 8.772 2.588 ( 0.365 2.363 -0.130) 2.395 2.821 ( -1.283 -2.259 3.812) 4.613 4.067 ( -1.699 8.068 2.064) 8.499 5.954 ( 5.573 3.239 0.414) 6.459 6.234 ( -2.539 4.393 -1.851) 5.402 6.393 ( 2.575 2.101 -0.540) 3.367 6.634 ( 1.503 -5.858 0.693) 6.087 7.118 ( -0.857 -4.261 -0.753) 4.411 8.250 ( -3.680 -0.673 -0.484) 3.772 ======================= Grid point 98 (61/344) ======================= q-point: ( 0.53 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.117 ( 7.216 3.448 1.549) 8.146 2.202 ( 6.762 -3.210 -4.590) 8.780 2.601 ( -0.217 1.352 0.587) 1.489 2.722 ( 11.352 3.894 -1.745) 12.127 2.781 ( -0.802 -2.588 3.303) 4.272 4.070 ( -4.952 3.173 0.513) 5.904 6.092 ( 6.772 1.959 0.506) 7.068 6.223 ( -2.115 2.476 -1.019) 3.412 6.438 ( 0.972 0.294 -0.918) 1.368 6.651 ( 6.090 -2.581 0.715) 6.653 7.071 ( -0.972 -1.840 -0.361) 2.112 8.161 ( -6.258 -0.206 -0.213) 6.265 ======================= Grid point 99 (62/344) ======================= q-point: (-0.40 -0.60 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.250 ( 5.277 -0.000 -0.000) 5.277 2.304 ( 7.872 -0.000 -0.000) 7.872 2.603 ( -0.305 0.000 0.000) 0.305 2.706 ( -4.694 0.000 0.000) 4.694 3.010 ( 17.986 -0.000 -0.000) 17.986 3.970 ( -8.569 0.000 0.000) 8.569 6.196 ( 4.298 -0.000 -0.000) 4.298 6.206 ( -0.894 0.000 0.000) 0.894 6.426 ( -1.878 0.000 0.000) 1.878 6.792 ( 11.078 -0.000 -0.000) 11.078 7.049 ( -0.731 0.000 0.000) 0.731 8.044 ( -7.206 0.000 0.000) 7.206 ======================= Grid point 113 (63/344) ======================= q-point: ( 0.47 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( 0.000 -0.073 -1.419) 1.421 2.071 ( 0.000 -2.417 -4.687) 5.273 2.500 ( -0.000 2.855 0.860) 2.982 2.608 ( -0.000 1.488 0.233) 1.506 2.825 ( -0.000 -1.048 1.921) 2.188 4.149 ( -0.000 4.342 1.252) 4.519 5.925 ( -0.000 1.400 0.103) 1.404 6.296 ( 0.000 3.415 -1.775) 3.849 6.382 ( -0.000 1.233 -0.023) 1.233 6.576 ( -0.000 -3.968 1.182) 4.141 7.091 ( 0.000 -2.275 -0.561) 2.344 8.275 ( 0.000 -0.372 -0.248) 0.447 ======================= Grid point 114 (64/344) ======================= q-point: (-0.47 -0.53 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.009 ( 7.344 -0.000 -0.000) 7.344 2.082 ( 3.461 -0.000 -0.000) 3.461 2.571 ( 6.749 -0.000 -0.000) 6.749 2.614 ( -0.239 0.000 0.000) 0.239 2.810 ( -1.556 0.000 0.000) 1.556 4.151 ( -2.504 0.000 0.000) 2.504 5.986 ( 5.986 -0.000 -0.000) 5.986 6.279 ( -2.874 0.000 0.000) 2.874 6.414 ( 2.049 -0.000 -0.000) 2.049 6.572 ( 1.967 -0.000 -0.000) 1.967 7.074 ( -0.612 0.000 0.000) 0.612 8.243 ( -3.539 0.000 0.000) 3.539 ======================= Grid point 245 (65/344) ======================= q-point: ( 0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.212 ( -0.000 -0.000 23.912) 23.912 0.212 ( -0.000 -0.000 23.912) 23.912 0.366 ( -0.000 -0.000 41.491) 41.491 2.136 ( 0.000 0.000 -1.881) 1.881 2.136 ( 0.000 0.000 -1.881) 1.881 4.081 ( 0.000 0.000 -5.272) 5.272 5.185 ( 0.000 -0.000 -0.039) 0.039 5.185 ( 0.000 -0.000 -0.039) 0.039 6.439 ( -0.000 -0.000 0.071) 0.071 6.439 ( -0.000 -0.000 0.071) 0.071 8.193 ( -0.000 -0.000 1.330) 1.330 8.589 ( 0.000 0.000 -0.504) 0.504 ======================= Grid point 246 (66/344) ======================= q-point: ( 0.13 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.413 ( 14.718 8.497 7.294) 18.494 0.475 ( 13.383 7.727 14.042) 20.880 1.010 ( 32.668 18.861 21.388) 43.364 2.148 ( 0.996 0.575 -1.238) 1.690 2.167 ( 3.815 2.203 -3.833) 5.840 3.624 ( -5.790 -3.343 1.842) 6.935 5.217 ( 2.602 1.502 0.377) 3.028 6.415 ( -2.346 -1.354 0.153) 2.713 6.420 ( -1.528 -0.882 -0.116) 1.769 6.711 ( 27.328 15.778 -47.259) 56.826 8.134 ( -6.327 -3.653 3.671) 8.176 8.502 ( -2.648 -1.529 0.769) 3.152 ======================= Grid point 247 (67/344) ======================= q-point: ( 0.20 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( 17.171 9.914 0.964) 19.851 0.838 ( 16.333 9.430 3.372) 19.159 1.783 ( 31.382 18.118 15.090) 39.253 2.173 ( 1.466 0.846 -0.504) 1.766 2.270 ( 6.519 3.764 -6.100) 9.689 3.525 ( -3.731 -2.154 -1.842) 4.686 5.302 ( 4.892 2.824 0.644) 5.686 6.336 ( -4.649 -2.684 -0.140) 5.370 6.376 ( -2.259 -1.304 -0.264) 2.622 6.976 ( 9.958 5.749 -16.806) 20.363 7.962 ( -9.820 -5.669 4.811) 12.317 8.439 ( -3.212 -1.854 -4.155) 5.570 ======================= Grid point 248 (68/344) ======================= q-point: ( 0.27 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( 16.721 9.654 -1.525) 19.368 1.204 ( 16.320 9.422 -2.847) 19.058 2.210 ( 1.907 1.101 0.364) 2.232 2.380 ( 8.731 5.041 2.467) 10.379 2.488 ( 24.099 13.914 -0.157) 27.827 3.451 ( -2.410 -1.391 1.209) 3.034 5.435 ( 6.730 3.886 0.745) 7.807 6.221 ( -5.204 -3.005 -0.582) 6.038 6.327 ( -1.910 -1.103 -0.358) 2.235 7.112 ( 5.363 3.096 -6.316) 8.845 7.737 ( -11.487 -6.632 4.296) 13.943 8.335 ( -4.348 -2.510 -6.464) 8.184 ======================= Grid point 249 (69/344) ======================= q-point: ( 0.33 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( 14.422 8.327 -3.027) 16.926 1.540 ( 15.080 8.706 -6.714) 18.662 2.260 ( 2.380 1.374 1.370) 3.071 2.514 ( 5.552 3.206 -3.697) 7.401 2.946 ( 13.095 7.561 0.067) 15.122 3.465 ( 4.028 2.326 7.444) 8.778 5.597 ( 7.397 4.271 0.714) 8.571 6.122 ( -3.059 -1.766 -1.048) 3.684 6.296 ( -0.567 -0.327 -0.385) 0.759 7.168 ( 0.710 0.410 -2.344) 2.483 7.476 ( -12.920 -7.460 2.456) 15.120 8.235 ( -2.423 -1.399 -5.871) 6.504 ======================= Grid point 250 (70/344) ======================= q-point: ( 0.40 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( 10.531 6.080 -3.897) 12.770 1.832 ( 13.223 7.634 -8.325) 17.390 2.324 ( 2.837 1.638 2.268) 3.984 2.612 ( 4.162 2.403 -2.948) 5.639 3.055 ( -0.994 -0.574 1.620) 1.986 3.664 ( 9.419 5.438 6.570) 12.707 5.753 ( 6.238 3.602 0.563) 7.225 6.094 ( 1.125 0.650 -1.495) 1.981 6.303 ( 1.199 0.692 -0.308) 1.418 7.135 ( -3.852 -2.224 1.403) 4.664 7.184 ( -12.498 -7.216 -2.543) 14.653 8.204 ( 0.651 0.376 -3.046) 3.138 ======================= Grid point 251 (71/344) ======================= q-point: ( 0.47 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( 6.137 3.543 -3.692) 7.990 2.078 ( 10.985 6.342 -7.967) 14.979 2.393 ( 2.548 1.471 2.425) 3.813 2.674 ( 1.843 1.064 -2.031) 2.941 2.994 ( -4.295 -2.479 3.942) 6.335 3.849 ( 5.522 3.188 3.748) 7.396 5.866 ( 3.717 2.146 0.325) 4.305 6.164 ( 5.426 3.133 -1.806) 6.520 6.342 ( 2.102 1.214 -0.142) 2.431 6.874 ( -13.285 -7.670 0.908) 15.367 7.077 ( -2.321 -1.340 -2.148) 3.435 8.229 ( 1.644 0.949 -0.900) 2.101 ======================= Grid point 252 (72/344) ======================= q-point: ( 0.53 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.036 ( 2.603 1.503 -2.326) 3.801 2.266 ( 7.349 4.243 -5.495) 10.110 2.437 ( 0.613 0.354 1.643) 1.789 2.676 ( -1.017 -0.587 -0.739) 1.388 2.916 ( -3.158 -1.823 1.536) 3.957 3.934 ( 1.365 0.788 2.942) 3.338 5.920 ( 1.137 0.656 0.126) 1.319 6.313 ( 7.832 4.522 -1.781) 9.217 6.380 ( 1.046 0.604 -0.011) 1.208 6.609 ( -10.171 -5.872 1.000) 11.787 7.040 ( -0.473 -0.273 -0.466) 0.718 8.257 ( 0.816 0.471 -0.078) 0.945 ======================= Grid point 253 (73/344) ======================= q-point: (-0.40 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( -0.345 -0.199 -0.132) 0.419 2.333 ( -1.707 -0.985 1.641) 2.565 2.423 ( -2.197 -1.269 0.152) 2.542 2.673 ( 1.937 1.119 -1.289) 2.582 2.864 ( -1.077 -0.622 -3.799) 3.998 3.929 ( -2.674 -1.544 2.408) 3.915 5.919 ( -1.274 -0.735 -0.007) 1.471 6.341 ( -6.836 -3.947 1.200) 7.984 6.380 ( -0.992 -0.572 0.051) 1.146 6.585 ( 9.508 5.489 -1.524) 11.084 7.056 ( 1.791 1.034 1.174) 2.379 8.262 ( -0.325 -0.187 0.468) 0.600 ======================= Grid point 254 (74/344) ======================= q-point: (-0.33 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( -4.351 -2.512 3.021) 5.862 2.218 ( -8.953 -5.169 7.343) 12.681 2.349 ( -3.728 -2.153 -2.235) 4.851 2.704 ( -0.954 -0.551 1.491) 1.854 2.884 ( 5.396 3.115 -8.595) 10.615 3.816 ( -8.176 -4.720 0.290) 9.445 5.862 ( -3.934 -2.271 -0.183) 4.546 6.198 ( -5.496 -3.173 1.894) 6.623 6.344 ( -1.977 -1.141 0.136) 2.287 6.829 ( 11.714 6.763 -3.749) 14.036 7.127 ( 4.113 2.375 2.928) 5.580 8.254 ( -0.365 -0.210 1.826) 1.874 ======================= Grid point 255 (75/344) ======================= q-point: (-0.27 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( -10.279 -5.934 5.884) 13.247 1.997 ( -13.015 -7.514 9.526) 17.793 2.266 ( -2.604 -1.503 -4.246) 5.202 2.646 ( -4.032 -2.328 0.849) 4.732 3.015 ( 6.648 3.838 -3.531) 8.449 3.559 ( -14.261 -8.233 -4.275) 17.013 5.744 ( -6.467 -3.734 -0.461) 7.482 6.123 ( -1.531 -0.884 1.620) 2.398 6.308 ( -1.069 -0.617 0.291) 1.269 7.041 ( 7.846 4.530 -6.587) 11.201 7.264 ( 7.572 4.372 3.954) 9.596 8.271 ( 1.334 0.770 4.007) 4.293 ======================= Grid point 256 (76/344) ======================= q-point: (-0.20 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( -15.089 -8.712 6.985) 18.772 1.698 ( -16.437 -9.490 10.080) 21.491 2.210 ( -1.389 -0.802 -4.278) 4.568 2.529 ( -7.057 -4.074 -1.314) 8.254 3.004 ( -15.754 -9.096 6.307) 19.253 3.298 ( 1.137 0.657 -11.141) 11.218 5.583 ( -7.528 -4.346 -0.736) 8.724 6.140 ( 2.558 1.477 0.943) 3.101 6.304 ( 0.610 0.352 0.428) 0.824 7.130 ( 2.325 1.342 -5.894) 6.476 7.474 ( 10.021 5.786 1.700) 11.696 8.339 ( 3.408 1.967 5.221) 6.538 ======================= Grid point 257 (77/344) ======================= q-point: (-0.13 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( -17.720 -10.231 7.899) 21.933 1.332 ( -18.960 -10.946 9.991) 24.065 2.174 ( -0.842 -0.486 -3.666) 3.793 2.240 ( -21.490 -12.407 -6.730) 25.711 2.582 ( -15.925 -9.194 4.419) 18.912 3.405 ( 6.559 3.787 -3.534) 8.358 5.419 ( -6.717 -3.878 -0.878) 7.806 6.228 ( 4.784 2.762 0.178) 5.527 6.334 ( 1.864 1.076 0.471) 2.203 7.129 ( -0.716 -0.414 -4.602) 4.676 7.703 ( 10.138 5.853 0.552) 11.719 8.434 ( 3.437 1.984 4.138) 5.733 ======================= Grid point 258 (78/344) ======================= q-point: (-0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( -18.705 -10.799 9.728) 23.688 0.925 ( -20.128 -11.621 10.238) 25.397 1.578 ( -33.333 -19.245 -5.635) 38.900 2.150 ( -0.446 -0.257 -3.050) 3.093 2.347 ( -8.298 -4.791 1.981) 9.785 3.526 ( 4.774 2.756 -1.424) 5.694 5.289 ( -4.710 -2.719 -0.797) 5.496 6.334 ( 4.439 2.563 -0.327) 5.136 6.382 ( 2.141 1.236 0.408) 2.506 7.082 ( -1.976 -1.141 -6.748) 7.123 7.923 ( 9.329 5.386 1.197) 10.838 8.499 ( 1.316 0.760 1.909) 2.440 ======================= Grid point 261 (79/344) ======================= q-point: ( 0.13 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.583 ( -0.000 23.682 8.011) 25.000 0.633 ( -0.000 18.440 17.640) 25.518 0.948 ( -0.000 29.115 24.821) 38.259 2.107 ( 0.000 -0.510 -4.235) 4.265 2.191 ( 0.000 6.126 -2.137) 6.488 3.625 ( 0.000 -8.690 1.130) 8.763 5.205 ( 0.000 2.462 -0.411) 2.496 6.404 ( 0.000 -1.757 -2.196) 2.812 6.426 ( -0.000 -1.500 0.271) 1.524 6.567 ( 0.000 36.535 -45.080) 58.026 8.143 ( -0.000 -7.145 3.533) 7.970 8.521 ( -0.000 -1.988 0.623) 2.084 ======================= Grid point 262 (80/344) ======================= q-point: ( 0.20 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( -1.692 18.030 16.706) 24.638 0.881 ( 4.734 24.465 2.076) 25.005 1.560 ( 24.239 25.441 16.511) 38.825 2.120 ( 3.347 -0.405 -4.153) 5.349 2.260 ( 1.003 8.057 -3.424) 8.812 3.532 ( -2.027 -5.150 -2.990) 6.291 5.265 ( 3.324 3.665 0.031) 4.948 6.357 ( -1.951 -4.269 -0.505) 4.721 6.395 ( -1.546 -1.684 0.157) 2.291 6.820 ( 9.836 13.582 -24.387) 29.596 8.029 ( -5.028 -9.365 4.705) 11.624 8.475 ( -3.385 -0.867 -2.419) 4.250 ======================= Grid point 263 (81/344) ======================= q-point: ( 0.27 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( 7.147 15.113 9.767) 19.362 1.203 ( 6.744 21.945 -2.041) 23.048 2.148 ( 8.691 3.630 -2.185) 9.668 2.253 ( 17.778 13.712 11.800) 25.364 2.365 ( 4.661 11.608 -6.976) 14.322 3.452 ( -1.026 -4.027 -1.781) 4.521 5.380 ( 5.271 5.150 0.494) 7.386 6.260 ( -3.949 -4.667 -0.619) 6.144 6.352 ( -1.939 -0.873 -0.093) 2.129 7.005 ( 8.113 5.017 -11.508) 14.948 7.840 ( -8.143 -9.648 4.951) 13.561 8.377 ( -5.314 -1.803 -5.113) 7.591 ======================= Grid point 264 (82/344) ======================= q-point: ( 0.33 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( 10.647 11.880 3.594) 16.353 1.508 ( 7.513 18.684 -4.766) 20.694 2.239 ( 3.545 2.538 -1.090) 4.494 2.447 ( 4.669 4.314 -3.696) 7.354 2.805 ( 16.225 14.880 2.261) 22.131 3.433 ( 2.767 -1.329 3.748) 4.845 5.537 ( 6.339 6.402 0.765) 9.042 6.150 ( -3.615 -3.606 -0.928) 5.190 6.320 ( -1.630 0.730 -0.333) 1.817 7.115 ( 4.634 0.517 -5.731) 7.388 7.606 ( -10.612 -9.343 4.240) 14.760 8.254 ( -4.401 -2.134 -5.823) 7.604 ======================= Grid point 265 (83/344) ======================= q-point: ( 0.40 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( 10.826 8.853 -0.723) 14.003 1.778 ( 7.041 15.203 -6.017) 17.802 2.321 ( 2.312 4.456 0.800) 5.084 2.550 ( 4.806 2.803 -3.416) 6.529 3.049 ( 3.102 2.894 -0.318) 4.254 3.577 ( 9.386 4.799 6.890) 12.593 5.708 ( 5.806 6.905 0.869) 9.063 6.083 ( -0.682 -1.349 -1.296) 1.991 6.315 ( -0.634 2.445 -0.469) 2.569 7.132 ( 0.406 -2.225 -4.482) 5.020 7.332 ( -12.960 -8.609 2.966) 15.839 8.180 ( -0.302 -1.569 -3.743) 4.070 ======================= Grid point 266 (84/344) ======================= q-point: ( 0.47 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( 8.414 6.299 -2.449) 10.792 1.998 ( 6.334 11.638 -6.635) 14.818 2.405 ( 1.373 5.496 1.911) 5.979 2.634 ( 3.557 1.540 -2.349) 4.532 3.045 ( -2.864 -1.633 2.163) 3.943 3.789 ( 7.384 4.032 4.370) 9.480 5.854 ( 3.414 6.549 0.764) 7.425 6.102 ( 3.563 1.086 -1.631) 4.066 6.342 ( 0.532 3.393 -0.417) 3.460 7.023 ( -11.763 -7.433 -2.867) 14.207 7.095 ( -3.478 -2.366 0.812) 4.284 8.184 ( 2.719 -1.443 -1.282) 3.335 ======================= Grid point 267 (85/344) ======================= q-point: ( 0.53 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( 3.809 4.478 -2.474) 6.378 2.183 ( 6.658 8.014 -6.203) 12.126 2.472 ( -0.498 5.110 2.185) 5.580 2.675 ( 0.802 0.313 -1.562) 1.784 2.967 ( -4.483 -1.977 1.924) 5.264 3.915 ( 3.446 1.300 3.451) 5.047 5.946 ( 0.176 5.772 0.462) 5.793 6.204 ( 6.999 1.978 -1.649) 7.457 6.388 ( 1.001 3.548 -0.296) 3.698 6.747 ( -12.123 -5.507 -0.068) 13.315 7.045 ( -1.046 -0.868 -0.632) 1.499 8.216 ( 2.980 -2.029 -0.193) 3.610 ======================= Grid point 268 (86/344) ======================= q-point: (-0.40 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.064 ( 0.310 2.641 -1.473) 3.040 2.320 ( 3.726 3.675 -3.294) 6.183 2.487 ( -3.438 3.071 1.829) 4.960 2.670 ( -0.600 0.983 -1.074) 1.575 2.885 ( -3.470 -1.071 -1.699) 4.009 3.954 ( -0.301 -0.727 3.573) 3.659 5.974 ( -2.799 4.434 0.180) 5.246 6.309 ( 3.437 -2.583 -0.432) 4.321 6.447 ( -0.113 3.691 -0.709) 3.761 6.555 ( -3.769 1.078 0.414) 3.942 7.041 ( 0.899 0.366 0.467) 1.077 8.234 ( 1.966 -2.799 0.185) 3.425 ======================= Grid point 269 (87/344) ======================= q-point: (-0.33 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( -2.618 -0.335 0.698) 2.730 2.322 ( -4.717 -1.319 3.134) 5.815 2.431 ( -5.974 1.675 0.075) 6.205 2.698 ( 1.677 1.237 -0.004) 2.084 2.835 ( 0.008 1.833 -7.206) 7.436 3.902 ( -5.510 -2.728 2.634) 6.688 5.939 ( -5.289 2.167 0.001) 5.716 6.248 ( -4.203 -4.928 1.288) 6.604 6.396 ( -3.997 1.474 0.316) 4.272 6.707 ( 9.864 7.762 -2.634) 12.825 7.086 ( 3.301 0.980 1.850) 3.908 8.234 ( 1.441 -3.047 0.966) 3.506 ======================= Grid point 270 (88/344) ======================= q-point: (-0.27 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.960 ( -7.046 -5.350 4.288) 9.832 2.186 ( -10.648 -2.211 6.116) 12.477 2.336 ( -6.525 2.075 -2.537) 7.302 2.679 ( -2.518 -2.810 1.039) 3.913 2.922 ( 7.121 5.576 -7.160) 11.535 3.718 ( -12.821 -5.343 0.019) 13.890 5.840 ( -7.502 -0.334 -0.166) 7.511 6.148 ( -2.985 -2.764 1.515) 4.342 6.352 ( -3.361 1.831 0.318) 3.840 6.933 ( 9.153 6.626 -5.526) 12.578 7.184 ( 6.431 1.441 3.362) 7.399 8.243 ( 2.443 -2.180 2.528) 4.137 ======================= Grid point 271 (89/344) ======================= q-point: (-0.20 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( -12.575 -9.897 6.935) 17.441 1.967 ( -15.433 -1.843 6.452) 16.829 2.255 ( -4.715 2.633 -3.880) 6.650 2.589 ( -4.838 -3.598 -0.148) 6.031 3.085 ( 6.241 4.520 0.116) 7.706 3.374 ( -18.689 -7.601 -5.269) 20.852 5.689 ( -8.938 -1.906 -0.363) 9.146 6.118 ( 0.869 -0.476 1.047) 1.442 6.326 ( -1.931 1.996 0.342) 2.799 7.076 ( 4.373 3.278 -6.586) 8.558 7.353 ( 10.056 2.680 2.834) 10.786 8.295 ( 4.350 -0.611 3.684) 5.733 ======================= Grid point 272 (90/344) ======================= q-point: (-0.13 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( -16.319 -12.161 7.849) 21.813 1.677 ( -19.694 -1.228 5.796) 20.566 2.202 ( -3.189 2.187 -3.666) 5.328 2.426 ( -11.326 -4.603 -1.715) 12.346 2.857 ( -25.166 -7.484 2.279) 26.354 3.297 ( 8.520 2.910 -4.586) 10.104 5.517 ( -8.739 -2.060 -0.477) 8.991 6.169 ( 4.310 0.987 0.346) 4.435 6.330 ( 0.096 1.549 0.325) 1.585 7.117 ( 0.614 1.082 -5.555) 5.693 7.568 ( 11.321 2.926 1.515) 11.791 8.385 ( 5.043 0.108 2.850) 5.794 ======================= Grid point 273 (91/344) ======================= q-point: (-0.07 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( -17.931 -11.889 8.719) 23.214 1.322 ( -22.983 -1.929 3.445) 23.320 2.019 ( -31.436 -4.632 0.381) 31.778 2.167 ( -2.063 1.643 -3.135) 4.097 2.477 ( -12.783 -4.154 0.354) 13.446 3.445 ( 6.919 2.003 -1.757) 7.415 5.367 ( -7.100 -1.047 -0.374) 7.186 6.266 ( 5.614 1.109 -0.204) 5.726 6.357 ( 1.705 0.664 0.253) 1.847 7.095 ( -2.081 0.674 -6.485) 6.844 7.788 ( 11.425 2.103 1.877) 11.767 8.464 ( 3.620 -0.592 0.472) 3.699 ======================= Grid point 277 (92/344) ======================= q-point: ( 0.20 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( -0.000 23.042 6.276) 23.881 1.087 ( -0.000 18.941 13.690) 23.370 1.666 ( -0.000 32.089 15.215) 35.513 2.068 ( 0.000 -0.382 -6.134) 6.146 2.331 ( 0.000 9.839 -3.669) 10.501 3.479 ( 0.000 -6.473 -4.056) 7.639 5.277 ( -0.000 5.350 -0.422) 5.367 6.326 ( 0.000 -4.866 -0.609) 4.904 6.389 ( 0.000 -2.425 0.286) 2.442 6.810 ( 0.000 13.179 -20.199) 24.118 7.981 ( -0.000 -11.507 4.367) 12.308 8.492 ( 0.000 -1.129 -2.515) 2.757 ======================= Grid point 278 (93/344) ======================= q-point: ( 0.27 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( -3.812 19.368 14.626) 24.568 1.347 ( 2.381 22.343 0.695) 22.480 2.060 ( 5.043 5.987 -4.969) 9.272 2.166 ( 13.477 18.026 10.890) 25.003 2.426 ( 1.048 12.986 -6.090) 14.382 3.403 ( -0.013 -6.016 -2.986) 6.716 5.364 ( 3.365 6.644 0.034) 7.448 6.259 ( -1.979 -5.175 -0.495) 5.562 6.361 ( -0.544 -1.808 0.147) 1.894 6.909 ( 5.131 6.708 -12.875) 15.398 7.847 ( -3.704 -11.922 4.242) 13.185 8.433 ( -4.218 -1.700 -3.735) 5.885 ======================= Grid point 279 (94/344) ======================= q-point: ( 0.33 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( -0.167 17.645 11.172) 20.885 1.594 ( 3.544 19.663 -3.037) 20.210 2.166 ( 6.797 2.864 -5.049) 8.938 2.432 ( 2.526 5.514 -0.236) 6.070 2.731 ( 12.833 20.512 -0.059) 24.196 3.370 ( 2.775 -3.395 1.862) 4.764 5.510 ( 5.398 7.961 0.727) 9.646 6.166 ( -3.140 -4.285 -0.749) 5.365 6.344 ( -0.438 0.151 -0.243) 0.524 7.010 ( 5.673 1.004 -7.680) 9.601 7.662 ( -6.443 -11.255 4.096) 13.600 8.309 ( -6.237 -2.158 -4.732) 8.120 ======================= Grid point 280 (95/344) ======================= q-point: ( 0.40 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( 2.991 13.884 5.498) 15.229 1.826 ( 4.277 16.762 -3.956) 17.745 2.305 ( 5.865 5.374 -1.929) 8.185 2.508 ( 2.556 3.815 -2.521) 5.239 3.016 ( 5.162 5.766 -2.498) 8.132 3.487 ( 8.907 4.924 6.309) 11.974 5.691 ( 5.839 8.876 1.306) 10.704 6.084 ( -2.000 -2.256 -1.138) 3.222 6.350 ( -0.287 2.607 -0.774) 2.735 7.058 ( 3.339 -2.864 -5.710) 7.208 7.442 ( -9.142 -9.702 3.731) 13.843 8.183 ( -4.023 -2.249 -4.018) 6.114 ======================= Grid point 281 (96/344) ======================= q-point: ( 0.47 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( 4.801 10.651 1.902) 11.837 2.024 ( 3.492 13.184 -4.491) 14.359 2.441 ( 3.094 7.371 0.490) 8.009 2.583 ( 3.530 2.295 -1.793) 4.576 3.062 ( 0.028 -0.797 -0.055) 0.799 3.712 ( 8.174 5.396 3.756) 10.490 5.869 ( 4.373 8.703 1.658) 9.880 6.063 ( 1.255 0.334 -1.558) 2.028 6.377 ( -0.168 4.238 -1.154) 4.396 7.031 ( -0.458 -4.632 -5.941) 7.547 7.203 ( -10.453 -6.509 3.682) 12.853 8.124 ( 0.697 -2.697 -1.863) 3.351 ======================= Grid point 282 (97/344) ======================= q-point: ( 0.53 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.994 ( 3.774 8.252 0.193) 9.077 2.172 ( 3.145 9.461 -4.657) 11.004 2.543 ( 0.276 6.546 1.939) 6.832 2.648 ( 2.523 1.354 -1.147) 3.085 3.030 ( -3.245 -0.067 0.660) 3.313 3.863 ( 5.088 1.435 2.350) 5.785 6.002 ( 1.719 7.436 1.440) 7.767 6.123 ( 4.487 2.429 -1.604) 5.349 6.413 ( 0.081 3.933 -1.194) 4.111 6.883 ( -9.516 -4.800 -2.543) 10.957 7.062 ( -2.703 -1.502 0.990) 3.247 8.129 ( 3.453 -3.720 -0.405) 5.091 ======================= Grid point 283 (98/344) ======================= q-point: ( 0.60 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( 0.276 6.023 -0.651) 6.064 2.291 ( 3.538 6.037 -3.808) 7.966 2.573 ( -2.408 2.083 2.394) 3.983 2.685 ( 0.511 1.529 -0.514) 1.692 2.965 ( -5.845 3.143 -1.583) 6.823 3.935 ( 2.754 -1.256 2.972) 4.242 6.074 ( -1.791 6.358 0.726) 6.646 6.222 ( 4.861 0.746 -0.961) 5.011 6.453 ( 1.595 2.635 -1.110) 3.274 6.687 ( -9.420 0.528 0.069) 9.435 7.039 ( -0.152 0.297 0.104) 0.349 8.149 ( 3.640 -4.760 0.025) 5.993 ======================= Grid point 284 (99/344) ======================= q-point: (-0.33 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.115 ( -3.124 2.903 -0.218) 4.270 2.363 ( 0.308 2.123 -1.126) 2.423 2.534 ( -3.765 0.483 1.515) 4.087 2.695 ( 0.060 0.086 0.237) 0.260 2.897 ( -6.009 6.056 -4.788) 9.783 3.945 ( -0.995 -2.373 3.270) 4.161 6.063 ( -5.446 3.722 0.260) 6.602 6.249 ( -0.548 -3.167 0.246) 3.223 6.480 ( -2.038 1.600 -0.029) 2.591 6.659 ( 2.604 8.212 -1.114) 8.687 7.055 ( 1.498 0.493 0.789) 1.764 8.157 ( 3.102 -5.175 0.355) 6.043 ======================= Grid point 285 (100/344) ======================= q-point: (-0.27 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.044 ( -6.467 -1.793 1.713) 6.926 2.325 ( -5.792 -0.081 2.184) 6.190 2.471 ( -5.934 2.475 -0.593) 6.456 2.682 ( -0.820 -3.091 1.250) 3.434 2.888 ( 0.252 7.330 -6.559) 9.840 3.858 ( -7.747 -3.186 2.066) 8.627 5.975 ( -7.673 1.035 0.245) 7.746 6.177 ( -3.382 -3.099 0.759) 4.650 6.449 ( -4.407 3.610 0.484) 5.717 6.838 ( 8.338 7.689 -3.847) 11.977 7.107 ( 4.229 -0.269 2.176) 4.763 8.165 ( 3.534 -4.367 1.123) 5.729 ======================= Grid point 286 (101/344) ======================= q-point: (-0.20 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( -10.663 -5.505 4.051) 12.666 2.187 ( -11.050 -0.787 2.123) 11.279 2.386 ( -7.246 3.913 -1.699) 8.409 2.619 ( -2.827 -3.549 0.548) 4.570 3.000 ( 6.766 5.302 -3.875) 9.429 3.625 ( -16.636 -3.970 0.433) 17.109 5.835 ( -9.481 -0.297 0.271) 9.489 6.112 ( -1.265 -1.602 0.523) 2.107 6.407 ( -4.472 2.955 0.235) 5.365 7.013 ( 5.892 5.318 -5.937) 9.912 7.215 ( 8.587 -0.355 3.385) 9.237 8.207 ( 5.102 -2.614 1.637) 5.961 ======================= Grid point 287 (102/344) ======================= q-point: (-0.13 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( -15.556 -6.353 4.922) 17.509 1.961 ( -15.132 -1.505 0.644) 15.221 2.301 ( -6.232 3.179 -2.145) 7.318 2.525 ( -5.302 -2.373 0.351) 5.820 3.163 ( 7.237 1.430 -5.563) 9.239 3.244 ( -23.205 -1.558 4.094) 23.615 5.664 ( -10.187 -0.557 0.263) 10.205 6.114 ( 2.410 -0.327 0.007) 2.432 6.366 ( -2.701 1.322 0.018) 3.007 7.098 ( 2.061 2.671 -4.542) 5.658 7.397 ( 11.552 0.332 2.152) 11.756 8.288 ( 6.173 -1.472 0.585) 6.373 ======================= Grid point 288 (103/344) ======================= q-point: (-0.07 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( -18.609 -3.805 4.564) 19.535 1.650 ( -19.573 -3.104 -2.315) 19.952 2.230 ( -4.307 1.618 -1.968) 5.004 2.389 ( -11.644 1.290 2.701) 12.023 2.768 ( -26.005 -1.335 -2.147) 26.128 3.338 ( 7.420 2.209 1.290) 7.848 5.500 ( -9.137 0.295 0.343) 9.148 6.177 ( 5.115 -0.198 -0.404) 5.135 6.347 ( -0.221 -0.188 -0.073) 0.299 7.120 ( -0.725 2.216 -3.807) 4.464 7.603 ( 12.235 -0.384 2.082) 12.416 8.371 ( 5.528 -1.811 -1.937) 6.131 ======================= Grid point 293 (104/344) ======================= q-point: ( 0.27 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( -0.000 17.942 10.213) 20.645 1.532 ( -0.000 20.800 3.895) 21.162 2.023 ( 0.000 -0.176 -7.160) 7.162 2.292 ( -0.000 20.646 10.550) 23.185 2.536 ( 0.000 17.771 -8.042) 19.506 3.333 ( 0.000 -6.180 -1.315) 6.318 5.405 ( -0.000 7.973 -0.084) 7.974 6.227 ( 0.000 -4.690 -0.101) 4.691 6.343 ( 0.000 -2.251 0.107) 2.253 6.891 ( 0.000 4.843 -10.483) 11.548 7.768 ( -0.000 -12.689 3.379) 13.131 8.442 ( 0.000 -2.133 -3.496) 4.096 ======================= Grid point 294 (105/344) ======================= q-point: ( 0.33 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( -3.736 17.218 9.971) 20.244 1.733 ( 1.036 17.484 -0.078) 17.515 2.060 ( 6.351 2.328 -6.494) 9.376 2.458 ( 1.298 6.374 0.413) 6.518 2.774 ( 5.923 21.298 -4.325) 22.526 3.305 ( 2.132 -1.839 3.971) 4.867 5.517 ( 3.542 8.926 0.430) 9.613 6.169 ( -2.005 -3.610 -0.256) 4.138 6.333 ( 0.933 -0.999 -0.121) 1.372 6.922 ( 3.054 0.767 -7.337) 7.984 7.633 ( -2.687 -12.240 2.820) 12.845 8.370 ( -4.468 -2.304 -3.762) 6.279 ======================= Grid point 295 (106/344) ======================= q-point: ( 0.40 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( -2.215 12.371 3.974) 13.181 1.926 ( 2.203 16.051 0.835) 16.223 2.223 ( 8.893 6.128 -3.477) 11.345 2.513 ( 0.977 3.903 -3.179) 5.128 2.977 ( 4.036 4.097 -3.888) 6.942 3.438 ( 6.772 9.647 6.965) 13.691 5.688 ( 5.630 9.638 1.243) 11.231 6.100 ( -2.538 -1.800 -0.799) 3.212 6.356 ( 1.663 1.359 -0.768) 2.281 6.950 ( 3.675 -3.115 -5.276) 7.145 7.466 ( -4.734 -10.842 2.587) 12.110 8.243 ( -6.349 -2.089 -3.574) 7.579 ======================= Grid point 296 (107/344) ======================= q-point: ( 0.47 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( 1.477 10.446 2.388) 10.817 2.098 ( 1.721 12.398 -1.121) 12.567 2.423 ( 7.131 7.394 -0.482) 10.283 2.566 ( 1.959 3.952 -1.911) 4.807 3.021 ( 2.840 -2.401 -0.981) 3.846 3.668 ( 6.023 9.174 3.276) 11.453 5.881 ( 5.341 9.342 2.066) 10.958 6.059 ( -0.835 0.588 -1.386) 1.722 6.403 ( 1.386 3.379 -1.705) 4.031 6.950 ( 2.617 -4.767 -4.479) 7.045 7.286 ( -6.576 -8.324 2.491) 10.897 8.121 ( -4.189 -2.183 -2.347) 5.274 ======================= Grid point 297 (108/344) ======================= q-point: ( 0.53 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( 2.825 9.612 2.132) 10.243 2.216 ( 1.221 8.643 -2.590) 9.105 2.566 ( 3.357 3.399 0.295) 4.786 2.641 ( 1.421 4.763 0.921) 5.055 3.051 ( 2.226 1.008 -0.170) 2.449 3.809 ( 3.403 2.971 0.734) 4.576 6.031 ( 2.571 5.475 1.851) 6.325 6.095 ( 2.919 4.907 -1.083) 5.811 6.443 ( 0.094 2.846 -2.377) 3.709 6.921 ( -0.581 -2.687 -3.666) 4.583 7.119 ( -5.957 -4.283 2.292) 7.686 8.056 ( 0.010 -3.434 -0.861) 3.540 ======================= Grid point 298 (109/344) ======================= q-point: ( 0.60 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.162 ( 0.871 8.428 1.282) 8.569 2.300 ( 1.478 5.994 -2.501) 6.661 2.611 ( -0.175 0.279 0.526) 0.621 2.680 ( 0.395 -0.312 1.861) 1.928 3.104 ( -2.480 9.195 -1.433) 9.631 3.864 ( 3.431 -2.538 0.975) 4.378 6.118 ( 2.905 3.881 0.324) 4.858 6.190 ( 1.529 4.549 0.210) 4.803 6.445 ( 0.060 -0.296 -2.068) 2.090 6.847 ( -6.798 2.814 -0.910) 7.414 7.049 ( -0.821 -0.323 0.553) 1.041 8.040 ( 2.864 -5.179 -0.142) 5.920 ======================= Grid point 299 (110/344) ======================= q-point: (-0.33 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.216 ( -3.449 5.967 0.461) 6.908 2.367 ( 1.504 3.521 -1.688) 4.185 2.580 ( -2.272 -1.344 1.351) 2.966 2.676 ( 0.719 -2.877 0.483) 3.004 3.108 ( -8.703 11.850 -2.870) 14.980 3.897 ( 3.859 -4.232 2.231) 6.147 6.172 ( -2.814 3.318 0.380) 4.367 6.222 ( 0.840 -0.423 -0.266) 0.978 6.459 ( 3.322 -0.594 -0.823) 3.474 6.788 ( -5.960 8.607 0.134) 10.469 7.050 ( 0.037 0.485 -0.044) 0.488 8.042 ( 3.814 -5.946 0.065) 7.064 ======================= Grid point 300 (111/344) ======================= q-point: (-0.27 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( -7.390 1.305 0.748) 7.541 2.391 ( -1.394 1.276 -0.335) 1.919 2.546 ( -1.690 0.880 0.061) 1.907 2.656 ( 0.419 -3.385 0.848) 3.515 3.039 ( -9.548 8.954 -3.198) 13.475 3.904 ( -0.342 -3.187 1.887) 3.720 6.100 ( -6.450 0.181 0.425) 6.466 6.204 ( -2.255 -1.372 0.046) 2.640 6.517 ( 1.534 1.780 -0.280) 2.366 6.826 ( 0.399 9.297 -1.266) 9.391 7.057 ( 1.407 -1.213 0.703) 1.986 8.056 ( 4.196 -4.875 0.294) 6.439 ======================= Grid point 301 (112/344) ======================= q-point: (-0.20 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( -9.694 -1.836 1.574) 9.991 2.331 ( -6.488 -0.269 -0.386) 6.505 2.522 ( -4.294 3.255 -0.882) 5.460 2.622 ( -1.272 -3.521 1.721) 4.120 2.991 ( -1.983 4.980 -2.232) 5.806 3.813 ( -8.464 -1.996 0.802) 8.733 5.982 ( -7.918 -0.191 0.735) 7.954 6.138 ( -3.387 -1.119 -0.177) 3.571 6.511 ( -4.099 1.877 -0.378) 4.524 6.955 ( 5.664 6.624 -3.929) 9.560 7.092 ( 5.088 -2.884 2.747) 6.461 8.097 ( 5.029 -2.611 0.249) 5.672 ======================= Grid point 302 (113/344) ======================= q-point: (-0.13 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( -12.654 -2.025 1.655) 12.921 2.168 ( -11.613 -1.308 -1.950) 11.848 2.439 ( -7.586 1.287 -0.448) 7.708 2.573 ( -2.353 -0.646 0.537) 2.499 3.056 ( 5.292 1.572 -0.949) 5.601 3.591 ( -16.912 0.202 1.628) 16.991 5.834 ( -9.891 -0.028 0.907) 9.932 6.093 ( -0.674 -0.337 -0.697) 1.027 6.437 ( -4.850 -0.226 -0.594) 4.892 7.072 ( 3.258 3.721 -3.583) 6.107 7.207 ( 10.755 -2.492 2.742) 11.375 8.171 ( 5.795 -1.019 -0.938) 5.958 ======================= Grid point 303 (114/344) ======================= q-point: (-0.07 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( -16.011 0.781 0.673) 16.045 1.910 ( -16.179 -2.325 -4.621) 16.986 2.322 ( -6.169 -0.433 0.110) 6.185 2.526 ( -4.452 2.073 0.046) 4.911 3.090 ( -6.531 -1.529 -5.924) 8.949 3.353 ( -9.860 5.117 8.668) 14.090 5.670 ( -10.108 0.750 0.882) 10.174 6.105 ( 2.554 -0.280 -0.987) 2.752 6.361 ( -2.610 -1.581 -0.497) 3.092 7.130 ( 1.394 2.258 -1.516) 3.056 7.388 ( 12.522 -2.495 1.646) 12.874 8.252 ( 5.500 -1.155 -3.323) 6.529 ======================= Grid point 309 (115/344) ======================= q-point: ( 0.33 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( -0.000 15.771 6.403) 17.021 1.903 ( -0.000 16.017 -0.182) 16.018 1.980 ( 0.000 0.015 -6.417) 6.417 2.497 ( 0.000 3.936 -3.846) 5.503 2.885 ( 0.000 11.920 -4.240) 12.652 3.326 ( -0.000 8.167 8.283) 11.632 5.574 ( -0.000 9.204 0.346) 9.210 6.159 ( 0.000 -2.046 -0.076) 2.048 6.310 ( 0.000 -0.970 -0.149) 0.981 6.878 ( 0.000 -1.096 -5.625) 5.731 7.543 ( 0.000 -12.032 1.647) 12.144 8.376 ( 0.000 -2.366 -3.324) 4.080 ======================= Grid point 310 (116/344) ======================= q-point: ( 0.40 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.914 ( -2.865 5.726 -4.277) 7.700 2.056 ( 0.728 12.586 4.840) 13.504 2.133 ( 8.458 9.449 -3.467) 13.147 2.515 ( 0.867 2.221 -5.745) 6.220 2.943 ( 1.236 -0.396 -0.041) 1.298 3.506 ( 2.886 16.479 7.103) 18.175 5.699 ( 4.071 9.164 0.762) 10.056 6.128 ( -2.099 -0.271 -0.641) 2.212 6.326 ( 2.242 0.514 -0.443) 2.343 6.858 ( 1.785 -3.674 -3.804) 5.581 7.419 ( -1.845 -10.883 0.933) 11.078 8.308 ( -4.312 -1.972 -2.952) 5.585 ======================= Grid point 311 (117/344) ======================= q-point: ( 0.47 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.951 ( 1.605 6.270 -1.854) 6.732 2.176 ( 1.476 7.724 -0.593) 7.886 2.373 ( 8.367 10.237 0.551) 13.233 2.552 ( 2.872 2.976 -4.175) 5.877 2.941 ( 1.751 -4.519 2.169) 5.309 3.719 ( 2.278 13.543 3.386) 14.144 5.878 ( 6.110 8.759 1.497) 10.784 6.092 ( -2.195 1.641 -1.306) 3.036 6.384 ( 3.171 2.119 -1.360) 4.049 6.842 ( 2.771 -5.287 -2.466) 6.458 7.284 ( -3.062 -8.958 0.677) 9.491 8.192 ( -6.275 -1.358 -2.205) 6.788 ======================= Grid point 312 (118/344) ======================= q-point: ( 0.53 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( 4.105 7.393 0.530) 8.472 2.260 ( 1.767 5.312 -1.951) 5.928 2.542 ( 2.962 3.654 1.310) 4.883 2.661 ( 3.592 6.287 -0.539) 7.261 2.965 ( 6.485 -2.416 1.474) 7.075 3.837 ( -0.875 6.923 0.266) 6.983 6.046 ( 2.934 5.528 1.824) 6.519 6.101 ( 1.632 5.013 -1.254) 5.419 6.443 ( 1.572 1.592 -2.556) 3.397 6.849 ( 4.259 -3.317 -1.513) 5.606 7.155 ( -3.642 -6.092 0.788) 7.142 8.075 ( -5.231 -1.511 -1.172) 5.570 ======================= Grid point 313 (119/344) ======================= q-point: ( 0.60 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( 3.555 7.366 0.984) 8.238 2.330 ( 1.350 4.710 -1.188) 5.041 2.599 ( 1.590 0.724 0.402) 1.793 2.690 ( -2.108 -1.827 2.010) 3.438 3.145 ( 9.099 8.248 0.157) 12.282 3.831 ( -2.793 -0.446 -0.960) 2.987 6.110 ( 1.725 3.888 -0.346) 4.268 6.208 ( 2.722 4.709 1.193) 5.568 6.436 ( -1.085 -1.785 -2.575) 3.316 6.911 ( 3.020 2.609 -1.244) 4.180 7.063 ( -2.205 -2.502 1.060) 3.499 7.988 ( -2.253 -3.066 -0.393) 3.825 ======================= Grid point 314 (120/344) ======================= q-point: ( 0.67 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.315 ( 0.494 6.084 0.128) 6.105 2.385 ( -0.034 4.470 0.005) 4.470 2.602 ( -2.381 -2.318 0.713) 3.399 2.629 ( 0.745 -3.857 0.626) 3.978 3.336 ( -1.527 14.054 -0.974) 14.170 3.773 ( 2.468 -7.304 0.273) 7.715 6.183 ( 2.457 3.011 -0.430) 3.910 6.261 ( -1.612 2.435 0.864) 3.045 6.392 ( 1.331 -3.405 -1.266) 3.869 6.949 ( -3.170 6.231 -0.052) 6.991 7.051 ( 0.721 0.207 -0.010) 0.750 7.941 ( 1.247 -4.482 -0.069) 4.652 ======================= Grid point 315 (121/344) ======================= q-point: (-0.27 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.309 ( -7.137 2.720 0.377) 7.647 2.410 ( -0.098 1.512 -0.332) 1.551 2.558 ( 0.705 -1.224 0.702) 1.577 2.617 ( 0.427 -2.215 0.133) 2.260 3.309 ( -12.686 8.252 -1.223) 15.184 3.813 ( 7.260 -4.494 0.748) 8.571 6.200 ( -5.262 -0.409 0.102) 5.279 6.223 ( -0.664 0.921 0.064) 1.137 6.444 ( 6.187 -0.408 -0.653) 6.234 6.956 ( -3.629 7.318 0.413) 8.178 7.040 ( -1.206 -1.945 -0.403) 2.324 7.946 ( 3.803 -3.215 0.006) 4.980 ======================= Grid point 316 (122/344) ======================= q-point: (-0.20 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( -9.610 -0.552 0.584) 9.643 2.397 ( -2.401 -0.326 -1.487) 2.843 2.583 ( 0.105 2.819 0.443) 2.855 2.602 ( 0.167 -2.605 1.483) 3.002 3.141 ( -11.106 1.536 0.034) 11.212 3.863 ( 0.697 -0.936 -0.418) 1.239 6.098 ( -6.315 -0.137 0.486) 6.335 6.192 ( -3.255 -0.052 -0.138) 3.259 6.530 ( 3.013 -0.074 -1.373) 3.312 6.956 ( -1.193 1.662 -0.791) 2.193 7.016 ( 1.568 -1.310 0.947) 2.252 8.001 ( 4.585 -0.204 -0.191) 4.593 ======================= Grid point 317 (123/344) ======================= q-point: (-0.13 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.000 ( -10.414 -0.105 0.015) 10.415 2.305 ( -7.102 -1.301 -3.047) 7.836 2.548 ( -4.890 -2.160 1.517) 5.557 2.608 ( -0.945 2.633 0.403) 2.826 3.028 ( -1.788 -1.100 1.811) 2.773 3.803 ( -7.596 0.913 -0.298) 7.656 5.985 ( -7.768 -0.070 1.004) 7.833 6.130 ( -3.667 0.657 -1.024) 3.863 6.501 ( -3.927 -2.203 -1.497) 4.745 7.007 ( 8.629 -3.275 -0.169) 9.231 7.053 ( 2.318 0.864 0.320) 2.494 8.085 ( 4.439 1.770 -1.040) 4.890 ======================= Grid point 318 (124/344) ======================= q-point: (-0.07 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.821 ( -12.182 2.562 -1.599) 12.551 2.116 ( -12.349 -1.651 -5.278) 13.530 2.420 ( -6.919 -2.703 1.794) 7.642 2.606 ( -2.590 3.114 -0.930) 4.156 3.050 ( 3.606 -1.950 1.669) 4.426 3.649 ( -12.976 3.910 2.954) 13.870 5.843 ( -9.345 0.114 1.101) 9.411 6.093 ( -1.271 1.068 -1.598) 2.304 6.396 ( -4.197 -2.866 -0.902) 5.162 7.102 ( 3.462 -0.951 1.946) 4.084 7.152 ( 11.689 -3.015 -1.769) 12.200 8.166 ( 3.683 1.720 -2.682) 4.870 ======================= Grid point 325 (125/344) ======================= q-point: ( 0.40 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.947 ( 0.000 0.555 -6.046) 6.072 2.110 ( 0.000 6.830 -7.982) 10.506 2.193 ( -0.000 12.058 4.662) 12.928 2.508 ( 0.000 2.001 -4.540) 4.962 2.927 ( -0.000 -2.809 4.377) 5.200 3.675 ( -0.000 18.035 5.750) 18.929 5.746 ( -0.000 7.902 0.515) 7.919 6.152 ( 0.000 1.623 -1.115) 1.969 6.309 ( 0.000 1.029 -0.265) 1.063 6.795 ( 0.000 -4.751 -1.939) 5.131 7.334 ( 0.000 -9.878 -0.263) 9.882 8.319 ( 0.000 -1.713 -2.412) 2.958 ======================= Grid point 326 (126/344) ======================= q-point: ( 0.47 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.951 ( 1.872 2.301 -3.869) 4.876 2.159 ( 3.808 1.417 -8.482) 9.405 2.358 ( 5.699 10.475 2.304) 12.146 2.532 ( 0.985 2.968 -1.649) 3.535 2.904 ( -0.481 -4.127 5.338) 6.764 3.852 ( -0.037 14.568 3.356) 14.949 5.860 ( 4.929 6.732 0.682) 8.371 6.150 ( -2.208 3.115 -1.725) 4.190 6.348 ( 2.698 2.028 -0.600) 3.428 6.752 ( 1.208 -5.705 -0.394) 5.845 7.234 ( -1.185 -8.113 -0.814) 8.240 8.264 ( -3.974 -1.077 -1.776) 4.484 ======================= Grid point 327 (127/344) ======================= q-point: ( 0.53 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.042 ( 5.478 4.595 -0.579) 7.174 2.219 ( 5.116 0.113 -5.616) 7.597 2.552 ( 2.104 5.044 2.164) 5.878 2.611 ( 8.389 6.064 -2.232) 10.589 2.870 ( 0.561 -4.865 4.936) 6.953 3.952 ( -2.706 9.006 0.733) 9.433 6.025 ( 6.502 5.361 1.111) 8.501 6.143 ( -1.720 4.302 -1.819) 4.978 6.414 ( 2.661 1.681 -1.525) 3.497 6.734 ( 3.666 -5.082 0.570) 6.292 7.140 ( -1.705 -5.682 -0.739) 5.978 8.165 ( -6.230 -0.467 -1.039) 6.333 ======================= Grid point 328 (128/344) ======================= q-point: ( 0.60 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.192 ( 5.799 5.160 0.701) 7.794 2.300 ( 5.401 0.912 -2.521) 6.030 2.593 ( 0.437 1.297 0.885) 1.630 2.723 ( -2.228 -0.364 0.681) 2.358 2.980 ( 14.827 2.362 1.890) 15.132 3.934 ( -6.584 3.508 -0.939) 7.519 6.133 ( 0.767 4.146 -0.256) 4.224 6.194 ( 3.354 3.207 0.318) 4.651 6.433 ( -0.657 -0.656 -1.755) 1.986 6.807 ( 8.534 -1.243 0.352) 8.632 7.071 ( -1.448 -2.666 -0.177) 3.039 8.050 ( -6.562 -0.633 -0.436) 6.607 ======================= Grid point 329 (129/344) ======================= q-point: ( 0.67 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.313 ( 3.789 2.770 -0.060) 4.694 2.400 ( 4.641 2.945 -0.271) 5.503 2.602 ( -0.402 -1.273 0.524) 1.434 2.635 ( -4.763 -2.499 0.449) 5.397 3.294 ( 16.394 4.850 0.790) 17.115 3.803 ( -10.030 -0.914 -0.988) 10.120 6.183 ( 1.070 3.387 -0.446) 3.580 6.265 ( 3.199 0.299 0.828) 3.318 6.381 ( -3.382 -1.511 -0.893) 3.810 6.958 ( 7.629 1.771 -0.532) 7.850 7.040 ( -0.619 -0.505 0.539) 0.964 7.942 ( -4.676 -1.258 -0.112) 4.844 ======================= Grid point 330 (130/344) ======================= q-point: (-0.27 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.373 ( 1.418 0.614 0.001) 1.545 2.486 ( -6.816 -3.352 0.015) 7.595 2.497 ( 3.735 2.010 -0.017) 4.242 2.610 ( -0.137 -0.084 0.002) 0.160 3.589 ( -13.618 1.253 0.053) 13.676 3.591 ( 14.418 -0.892 -0.053) 14.446 6.217 ( 0.715 0.357 0.040) 0.800 6.298 ( -4.529 -1.378 -0.132) 4.736 6.338 ( 4.800 1.435 0.094) 5.011 7.019 ( -0.896 -0.158 -0.007) 0.910 7.054 ( 0.858 0.173 0.006) 0.875 7.893 ( 0.097 0.043 -0.000) 0.106 ======================= Grid point 331 (131/344) ======================= q-point: (-0.20 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.305 ( -7.381 -3.266 -0.008) 8.071 2.409 ( -0.282 -0.806 -0.591) 1.038 2.559 ( 1.739 0.231 0.829) 1.941 2.617 ( 0.231 2.197 0.078) 2.210 3.331 ( -12.305 -6.489 1.117) 13.956 3.795 ( 6.859 3.282 -1.157) 7.692 6.198 ( -4.994 0.269 -0.149) 5.003 6.227 ( -1.036 -0.855 0.542) 1.449 6.442 ( 5.737 0.867 -0.843) 5.863 6.951 ( -3.082 -7.105 -0.114) 7.746 7.046 ( -1.595 1.772 0.268) 2.400 7.945 ( 3.663 3.169 -0.102) 4.845 ======================= Grid point 332 (132/344) ======================= q-point: (-0.13 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( -7.969 -1.574 -0.290) 8.128 2.371 ( -3.393 -0.797 -2.358) 4.209 2.568 ( -0.103 -2.129 2.178) 3.047 2.651 ( -0.194 3.316 0.206) 3.328 3.090 ( -8.227 -6.759 2.299) 10.893 3.872 ( -0.083 2.186 -1.485) 2.644 6.102 ( -6.290 -0.324 0.551) 6.323 6.198 ( -2.900 1.061 -0.547) 3.136 6.503 ( 0.823 -1.421 -1.723) 2.380 6.847 ( 2.416 -8.830 0.953) 9.204 7.046 ( 0.129 0.927 -0.404) 1.020 8.049 ( 3.679 4.801 -0.458) 6.066 ======================= Grid point 333 (133/344) ======================= q-point: (-0.07 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( -8.465 1.437 -1.744) 8.761 2.258 ( -8.118 -0.725 -4.815) 9.466 2.503 ( -5.342 -3.388 2.415) 6.771 2.665 ( -1.308 2.597 -0.814) 3.020 2.987 ( 1.064 -4.241 4.226) 6.081 3.839 ( -5.794 2.598 0.157) 6.351 5.981 ( -7.479 -1.370 0.887) 7.655 6.154 ( -3.922 2.781 -1.696) 5.099 6.435 ( -4.065 -3.035 -1.116) 5.194 6.892 ( 10.515 -7.875 1.691) 13.245 7.068 ( 2.203 0.385 -1.750) 2.840 8.144 ( 2.341 4.457 -1.167) 5.168 ======================= Grid point 341 (134/344) ======================= q-point: ( 0.47 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( 0.000 0.785 -3.442) 3.530 2.089 ( 0.000 -0.958 -10.022) 10.068 2.403 ( -0.000 7.552 2.209) 7.868 2.559 ( -0.000 3.568 0.404) 3.591 2.888 ( -0.000 -3.898 5.211) 6.508 3.994 ( -0.000 11.977 2.283) 12.192 5.870 ( -0.000 4.555 0.310) 4.565 6.202 ( 0.000 4.430 -2.358) 5.019 6.343 ( -0.000 2.376 -0.151) 2.380 6.687 ( -0.000 -5.988 1.156) 6.098 7.170 ( 0.000 -6.326 -1.468) 6.494 8.284 ( 0.000 -0.785 -1.261) 1.486 ======================= Grid point 342 (135/344) ======================= q-point: ( 0.53 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( 5.375 2.355 -0.587) 5.897 2.094 ( 4.665 -1.518 -6.714) 8.315 2.520 ( 6.195 5.280 0.788) 8.178 2.591 ( -0.023 2.437 0.659) 2.525 2.855 ( -1.153 -3.736 4.048) 5.628 4.078 ( -2.024 7.491 0.484) 7.775 5.957 ( 5.744 3.082 0.268) 6.524 6.217 ( -2.329 4.668 -1.971) 5.576 6.388 ( 2.221 2.152 -0.475) 3.129 6.644 ( 1.366 -5.623 1.612) 6.007 7.109 ( -0.729 -3.972 -1.307) 4.245 8.245 ( -3.653 -0.281 -0.712) 3.732 ======================= Grid point 343 (136/344) ======================= q-point: ( 0.60 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( 7.061 4.618 2.371) 8.764 2.164 ( 7.701 -2.081 -3.992) 8.921 2.606 ( -0.241 0.848 0.519) 1.023 2.708 ( 9.140 3.663 -1.600) 9.975 2.813 ( 1.163 -3.864 3.864) 5.587 4.068 ( -5.166 3.068 -0.887) 6.074 6.095 ( 6.893 1.609 0.164) 7.080 6.215 ( -1.914 3.234 -0.818) 3.846 6.431 ( 0.785 0.910 -0.476) 1.293 6.658 ( 5.858 -3.130 0.888) 6.701 7.066 ( -0.815 -1.460 -0.623) 1.784 8.158 ( -6.231 0.044 -0.268) 6.237 ======================= Grid point 344 (137/344) ======================= q-point: (-0.33 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.246 ( 5.848 -0.929 -0.821) 5.978 2.309 ( 7.082 1.965 1.045) 7.424 2.603 ( -0.330 -0.545 -0.063) 0.640 2.703 ( -4.515 -0.700 -0.513) 4.598 3.015 ( 17.764 -0.635 1.230) 17.818 3.967 ( -8.409 0.461 -0.863) 8.466 6.194 ( 3.987 0.340 -0.501) 4.033 6.208 ( -0.597 -0.385 0.314) 0.776 6.428 ( -1.868 0.999 0.488) 2.174 6.792 ( 11.028 -0.265 -0.058) 11.032 7.049 ( -0.659 0.130 0.016) 0.672 8.044 ( -7.199 0.157 -0.013) 7.201 ======================= Grid point 345 (138/344) ======================= q-point: (-0.27 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.315 ( 4.509 -3.204 0.058) 5.532 2.402 ( 3.328 -2.158 0.079) 3.967 2.588 ( -1.153 0.991 -1.089) 1.870 2.626 ( -3.549 0.744 -0.520) 3.663 3.289 ( 16.130 -5.470 0.176) 17.033 3.816 ( -9.637 2.175 0.470) 9.890 6.193 ( 1.011 -3.192 0.597) 3.401 6.244 ( 2.707 -1.119 -1.350) 3.226 6.406 ( -3.151 3.411 1.758) 4.966 6.965 ( 8.592 -0.888 0.048) 8.638 7.033 ( -1.527 -0.410 -0.111) 1.585 7.944 ( -4.740 1.490 0.123) 4.970 ======================= Grid point 346 (139/344) ======================= q-point: (-0.20 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.309 ( 0.327 -7.631 -0.401) 7.648 2.394 ( 0.319 -2.167 0.878) 2.360 2.581 ( -2.416 2.766 -1.461) 3.953 2.620 ( 1.691 1.823 -0.324) 2.507 3.344 ( 0.284 -13.410 -0.186) 13.414 3.777 ( 0.286 7.027 0.716) 7.069 6.192 ( 2.369 -3.252 0.513) 4.056 6.242 ( -0.483 -2.281 -1.148) 2.599 6.418 ( -0.422 4.413 1.627) 4.723 6.950 ( -4.234 -5.990 0.070) 7.336 7.049 ( 1.807 -0.477 -0.170) 1.877 7.943 ( 1.069 4.577 0.126) 4.702 ======================= Grid point 347 (140/344) ======================= q-point: (-0.13 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.211 ( -3.159 -5.571 -0.077) 6.405 2.388 ( 0.114 -1.517 0.499) 1.601 2.561 ( -1.052 -0.124 -0.487) 1.165 2.671 ( 1.239 2.447 -0.073) 2.744 3.142 ( -7.148 -11.550 0.728) 13.603 3.870 ( 2.541 3.755 -0.583) 4.571 6.169 ( -2.510 -3.898 -0.059) 4.636 6.224 ( 0.633 0.808 0.044) 1.027 6.469 ( 1.796 1.780 0.193) 2.536 6.786 ( -5.367 -8.827 -0.035) 10.331 7.050 ( -0.301 -0.654 0.011) 0.720 8.042 ( 3.563 6.012 -0.019) 6.989 ======================= Grid point 348 (141/344) ======================= q-point: (-0.07 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( -4.282 -2.013 -0.684) 4.781 2.349 ( -4.043 0.067 -2.457) 4.731 2.535 ( -1.505 -2.753 1.566) 3.506 2.692 ( -0.468 0.496 -0.266) 0.732 2.962 ( -2.839 -6.369 2.121) 7.289 3.910 ( -0.743 1.871 -0.347) 2.043 6.064 ( -5.083 -4.111 0.360) 6.547 6.239 ( -1.811 3.567 -0.845) 4.088 6.472 ( -3.091 -0.740 -0.894) 3.302 6.678 ( 4.452 -8.732 0.927) 9.845 7.043 ( 0.390 -0.417 -0.532) 0.780 8.151 ( 2.586 5.339 -0.246) 5.938 ======================= Grid point 357 (142/344) ======================= q-point: ( 0.53 0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.937 ( 0.000 0.953 -0.436) 1.048 2.042 ( 0.000 0.993 -1.855) 2.104 2.505 ( -0.000 2.237 0.226) 2.248 2.612 ( -0.000 1.191 0.608) 1.337 2.844 ( -0.000 -2.837 2.274) 3.635 4.151 ( 0.000 3.737 -0.715) 3.805 5.926 ( -0.000 1.318 0.041) 1.319 6.283 ( 0.000 4.502 -1.317) 4.690 6.382 ( -0.000 1.265 -0.044) 1.266 6.587 ( -0.000 -4.713 1.249) 4.876 7.084 ( 0.000 -1.661 -1.015) 1.946 8.272 ( 0.000 -0.065 -0.347) 0.353 ======================= Grid point 358 (143/344) ======================= q-point: (-0.40 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( 6.575 -0.129 -0.221) 6.580 2.098 ( 3.868 3.950 3.322) 6.450 2.567 ( 6.531 -0.386 -0.765) 6.587 2.616 ( -0.031 -0.275 0.513) 0.583 2.813 ( -1.468 -1.995 0.597) 2.548 4.143 ( -2.426 -0.385 -1.855) 3.078 5.985 ( 5.947 -0.137 -0.134) 5.950 6.280 ( -2.932 1.301 0.348) 3.226 6.415 ( 2.120 0.453 0.249) 2.182 6.572 ( 2.004 -1.236 -0.134) 2.358 7.072 ( -0.586 0.613 -0.367) 0.924 8.242 ( -3.535 0.226 -0.056) 3.543 ======================= Grid point 359 (144/344) ======================= q-point: (-0.33 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.108 ( 6.864 -2.323 -0.686) 7.279 2.243 ( 5.564 3.982 4.696) 8.298 2.595 ( -0.065 -1.992 -0.837) 2.162 2.733 ( 13.096 -0.740 -0.150) 13.118 2.761 ( -2.334 -1.792 -0.211) 2.950 4.060 ( -4.479 -3.161 -1.837) 5.782 6.087 ( 6.566 -2.318 -0.754) 7.004 6.232 ( -2.302 -1.863 1.022) 3.133 6.447 ( 1.253 0.248 1.238) 1.779 6.646 ( 6.274 2.410 -0.440) 6.735 7.072 ( -1.020 2.117 0.043) 2.350 8.162 ( -6.263 0.394 0.114) 6.276 ======================= Grid point 360 (145/344) ======================= q-point: (-0.27 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( 5.717 -4.939 -0.674) 7.585 2.344 ( 3.025 -0.422 2.447) 3.913 2.574 ( 0.712 -1.819 -1.235) 2.311 2.698 ( -3.471 0.303 -1.922) 3.979 2.973 ( 15.946 -3.395 1.098) 16.340 3.939 ( -5.298 -3.188 -0.460) 6.200 6.126 ( 2.505 -4.766 -1.040) 5.484 6.195 ( 0.855 -2.870 0.455) 3.029 6.473 ( -0.165 1.889 2.496) 3.135 6.805 ( 9.194 2.010 0.238) 9.414 7.070 ( -2.083 2.241 -0.235) 3.069 8.056 ( -6.647 1.101 0.262) 6.742 ======================= Grid point 361 (146/344) ======================= q-point: (-0.20 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.188 ( 3.557 -8.396 -1.301) 9.211 2.361 ( 1.041 -3.446 2.213) 4.226 2.591 ( 2.455 -0.231 -0.463) 2.509 2.645 ( -2.665 1.119 -2.858) 4.065 3.142 ( 8.996 -7.968 -0.111) 12.017 3.850 ( -2.547 -0.141 1.006) 2.742 6.110 ( 2.288 -4.804 -0.510) 5.346 6.192 ( 2.125 -3.765 -0.347) 4.337 6.488 ( -1.416 2.238 3.012) 4.011 6.935 ( 3.238 -1.277 1.417) 3.758 7.040 ( -2.576 1.657 -1.511) 3.415 7.995 ( -2.525 3.436 0.440) 4.287 ======================= Grid point 362 (147/344) ======================= q-point: (-0.13 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( 2.181 -8.098 -0.174) 8.389 2.348 ( 1.422 -4.237 2.787) 5.267 2.587 ( -1.870 -0.819 -2.088) 2.920 2.655 ( 2.505 1.200 -0.809) 2.893 3.106 ( -1.594 -9.741 -1.230) 9.946 3.862 ( 2.023 1.314 0.789) 2.538 6.108 ( 2.723 -5.271 -0.740) 5.978 6.194 ( 2.307 -2.676 0.504) 3.569 6.486 ( -1.102 0.026 2.235) 2.492 6.853 ( -8.516 -2.002 -0.311) 8.753 7.044 ( 0.468 0.194 0.037) 0.508 8.045 ( 2.497 5.372 0.414) 5.938 ======================= Grid point 373 (148/344) ======================= q-point: (-0.40 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( -0.000 0.973 2.225) 2.429 2.122 ( -0.000 5.417 6.853) 8.735 2.490 ( 0.000 -3.418 -1.417) 3.700 2.608 ( 0.000 -1.716 0.176) 1.725 2.811 ( 0.000 -0.840 -1.358) 1.597 4.129 ( 0.000 -4.789 -3.071) 5.689 5.924 ( 0.000 -1.477 -0.146) 1.484 6.313 ( -0.000 -2.764 1.944) 3.379 6.382 ( 0.000 -1.197 -0.002) 1.197 6.567 ( 0.000 3.834 -0.941) 3.948 7.094 ( -0.000 2.787 0.041) 2.788 8.276 ( -0.000 0.579 0.093) 0.586 ======================= Grid point 374 (149/344) ======================= q-point: (-0.33 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.008 ( 3.374 -0.270 2.182) 4.028 2.229 ( 2.973 4.364 7.675) 9.316 2.497 ( 6.431 -5.995 -1.734) 8.961 2.595 ( 1.343 -1.725 1.472) 2.636 2.789 ( -1.371 0.518 -3.184) 3.505 4.043 ( -1.255 -8.360 -3.383) 9.106 5.950 ( 5.326 -3.388 -0.489) 6.331 6.249 ( -2.675 -4.414 1.375) 5.341 6.397 ( 2.943 -2.189 0.435) 3.694 6.633 ( 1.624 6.778 0.442) 6.984 7.122 ( -0.933 4.435 0.120) 4.534 8.253 ( -3.674 0.892 0.149) 3.784 ======================= Grid point 375 (150/344) ======================= q-point: (-0.27 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( 3.493 -3.543 0.696) 5.024 2.300 ( 2.171 -1.965 3.339) 4.441 2.511 ( 3.245 -5.913 -2.401) 7.159 2.672 ( 5.567 -4.605 4.077) 8.295 2.795 ( 3.228 5.576 -2.740) 7.001 3.924 ( -1.003 -9.698 -2.318) 10.021 6.001 ( 5.574 -5.850 -1.462) 8.211 6.171 ( -1.722 -4.296 1.160) 4.771 6.440 ( 4.099 -1.748 1.212) 4.618 6.748 ( 3.632 7.094 2.145) 8.253 7.143 ( -2.286 5.185 -0.429) 5.683 8.178 ( -6.256 1.246 0.275) 6.384 ======================= Grid point 376 (151/344) ======================= q-point: (-0.20 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( 2.637 -8.285 -1.717) 8.862 2.300 ( 1.889 -6.005 2.496) 6.771 2.523 ( 4.216 -3.105 -0.768) 5.292 2.654 ( -0.481 -3.922 -1.423) 4.200 2.960 ( 7.829 2.255 0.964) 8.204 3.828 ( 0.847 -8.241 -0.765) 8.320 6.008 ( 3.623 -6.682 -2.052) 7.873 6.125 ( 0.605 -3.941 1.227) 4.172 6.488 ( 2.582 -2.232 2.194) 4.057 6.891 ( 4.324 5.805 3.147) 7.893 7.133 ( -4.636 4.790 -1.799) 6.905 8.092 ( -5.399 2.433 0.710) 5.964 ======================= Grid point 377 (152/344) ======================= q-point: (-0.13 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.005 ( 4.114 -9.596 -0.975) 10.486 2.275 ( 2.088 -7.487 3.628) 8.577 2.559 ( 2.192 -4.557 -0.784) 5.118 2.617 ( 1.548 -1.075 -1.415) 2.357 3.042 ( 1.228 -1.416 -1.239) 2.247 3.802 ( 3.958 -5.312 -0.082) 6.625 5.997 ( 3.512 -6.619 -1.659) 7.674 6.119 ( 2.420 -3.285 1.383) 4.309 6.485 ( -0.032 -4.069 2.127) 4.591 6.987 ( -2.275 5.330 3.418) 6.728 7.071 ( -4.794 2.793 -2.938) 6.278 8.075 ( -0.628 4.191 1.184) 4.400 ======================= Grid point 389 (153/344) ======================= q-point: (-0.33 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( -0.000 0.724 3.527) 3.601 2.264 ( -0.000 1.158 8.020) 8.104 2.359 ( 0.000 -8.808 -2.468) 9.147 2.578 ( -0.000 -0.576 3.497) 3.544 2.799 ( 0.000 1.939 -4.574) 4.968 3.933 ( 0.000 -13.227 -4.346) 13.922 5.864 ( 0.000 -4.737 -0.289) 4.746 6.231 ( 0.000 -5.172 0.648) 5.212 6.346 ( 0.000 -2.245 0.080) 2.247 6.697 ( -0.000 7.973 2.231) 8.280 7.183 ( -0.000 6.262 -0.032) 6.262 8.297 ( -0.000 1.560 0.036) 1.560 ======================= Grid point 390 (154/344) ======================= q-point: (-0.27 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.008 ( -0.127 -1.832 1.769) 2.550 2.241 ( 0.684 -7.430 0.899) 7.516 2.335 ( 6.235 -9.151 -0.763) 11.099 2.611 ( 1.460 -0.381 6.800) 6.965 2.823 ( 0.552 6.602 -2.954) 7.254 3.784 ( 1.173 -16.141 -4.030) 16.678 5.848 ( 4.253 -6.861 -0.655) 8.099 6.167 ( -1.923 -3.709 0.253) 4.185 6.355 ( 3.265 -2.010 0.167) 3.838 6.794 ( 1.339 7.739 4.143) 8.880 7.236 ( -1.583 7.424 -0.647) 7.618 8.281 ( -3.888 2.064 -0.013) 4.402 ======================= Grid point 391 (155/344) ======================= q-point: (-0.20 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( -0.872 -8.882 -2.902) 9.385 2.188 ( 2.870 -10.247 1.136) 10.702 2.371 ( 7.467 -6.610 0.146) 9.973 2.613 ( 0.044 -3.921 1.846) 4.334 2.938 ( 2.943 8.670 2.145) 9.404 3.659 ( 4.214 -16.094 -3.105) 16.923 5.851 ( 5.123 -8.576 -1.425) 10.091 6.111 ( -1.572 -1.979 0.666) 2.613 6.403 ( 4.217 -2.402 0.664) 4.899 6.912 ( 2.617 6.961 5.212) 9.081 7.262 ( -3.950 7.783 -1.886) 8.929 8.217 ( -6.036 2.682 0.489) 6.623 ======================= Grid point 392 (156/344) ======================= q-point: (-0.13 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( 2.770 -12.091 -2.942) 12.748 2.145 ( 3.774 -11.429 3.118) 12.433 2.434 ( 5.858 -5.906 0.668) 8.346 2.577 ( 0.583 -2.904 -0.373) 2.985 3.045 ( 0.575 4.714 1.477) 4.974 3.611 ( 7.932 -12.936 -2.816) 15.433 5.846 ( 4.986 -8.737 -1.646) 10.193 6.084 ( -0.269 -0.823 1.236) 1.509 6.429 ( 1.930 -4.149 1.126) 4.712 7.035 ( 2.521 5.578 4.768) 7.759 7.234 ( -7.478 7.535 -3.243) 11.100 8.159 ( -4.306 3.721 1.723) 5.946 ======================= Grid point 405 (157/344) ======================= q-point: (-0.27 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.004 ( 0.000 -3.492 -1.763) 3.912 2.150 ( -0.000 -9.746 1.895) 9.928 2.167 ( 0.000 -11.732 -1.527) 11.831 2.610 ( -0.000 -2.622 5.001) 5.646 2.893 ( -0.000 9.770 1.827) 9.939 3.577 ( 0.000 -20.747 -4.795) 21.294 5.739 ( 0.000 -7.873 -0.171) 7.875 6.156 ( 0.000 -2.106 -0.598) 2.190 6.312 ( 0.000 -1.033 0.041) 1.034 6.867 ( -0.000 6.639 5.746) 8.781 7.327 ( -0.000 8.952 -1.051) 9.013 8.338 ( 0.000 2.832 -0.443) 2.866 ======================= Grid point 406 (158/344) ======================= q-point: (-0.20 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( -3.555 -12.900 -7.303) 15.244 2.032 ( 1.828 -13.195 -0.351) 13.325 2.187 ( 7.303 -4.939 3.270) 9.403 2.578 ( -0.048 -5.339 1.404) 5.521 3.011 ( 0.765 9.204 6.705) 11.413 3.386 ( 4.160 -21.407 -5.500) 22.490 5.689 ( 3.375 -8.977 -0.350) 9.596 6.130 ( -1.475 0.147 -0.306) 1.514 6.330 ( 2.589 -0.613 -0.006) 2.661 6.955 ( 1.503 5.156 6.708) 8.593 7.395 ( -2.372 9.774 -1.846) 10.226 8.333 ( -3.864 3.342 -0.349) 5.120 ======================= Grid point 407 (159/344) ======================= q-point: (-0.13 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( -0.007 -16.470 -6.832) 17.831 1.956 ( 4.527 -14.431 1.574) 15.206 2.279 ( 6.938 -4.067 2.795) 8.514 2.529 ( 0.786 -5.331 -0.459) 5.409 3.093 ( 0.701 -0.960 8.438) 8.521 3.304 ( 8.583 -12.468 -7.843) 17.048 5.669 ( 4.912 -9.225 -0.798) 10.482 6.112 ( -1.843 1.796 0.445) 2.612 6.365 ( 2.261 -1.659 0.258) 2.816 7.052 ( 2.581 3.768 5.744) 7.338 7.419 ( -5.467 9.912 -2.687) 11.634 8.286 ( -5.427 3.859 1.041) 6.740 ======================= Grid point 421 (160/344) ======================= q-point: (-0.20 -0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( 0.000 -16.512 -8.782) 18.702 1.851 ( 0.000 -18.034 -6.275) 19.095 2.111 ( -0.000 -0.956 6.854) 6.921 2.510 ( 0.000 -9.122 0.050) 9.122 3.044 ( -0.000 -18.744 9.552) 21.037 3.183 ( 0.000 3.420 -5.822) 6.752 5.574 ( 0.000 -8.975 0.278) 8.979 6.154 ( 0.000 2.301 -0.601) 2.378 6.310 ( 0.000 0.838 -0.197) 0.861 7.002 ( -0.000 2.937 7.853) 8.384 7.510 ( 0.000 10.896 -2.034) 11.084 8.398 ( 0.000 3.714 -1.103) 3.875 ======================= Grid point 422 (161/344) ======================= q-point: (-0.13 -0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( -3.503 -19.891 -9.987) 22.531 1.718 ( 5.743 -17.910 -3.257) 19.088 2.164 ( 4.499 -1.401 4.956) 6.839 2.422 ( 2.683 -12.069 -0.884) 12.396 2.859 ( 5.208 -25.645 2.030) 26.247 3.270 ( -0.231 9.678 1.173) 9.751 5.515 ( 2.889 -8.678 0.166) 9.147 6.171 ( -1.477 3.962 -0.076) 4.229 6.332 ( 1.178 0.869 -0.217) 1.480 7.059 ( 1.684 1.257 7.466) 7.756 7.586 ( -3.103 11.155 -2.385) 11.821 8.401 ( -3.382 3.806 -0.559) 5.123 ======================= Grid point 437 (162/344) ======================= q-point: (-0.13 -0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( 0.000 -19.971 -9.780) 22.238 1.419 ( 0.000 -21.732 -9.218) 23.606 2.135 ( -0.000 -0.479 5.198) 5.220 2.202 ( 0.000 -25.784 1.367) 25.820 2.605 ( 0.000 -18.363 -0.561) 18.371 3.374 ( -0.000 8.789 3.278) 9.381 5.412 ( 0.000 -7.806 0.714) 7.839 6.228 ( -0.000 5.229 -0.001) 5.229 6.338 ( 0.000 2.164 -0.407) 2.202 7.069 ( -0.000 -0.784 8.583) 8.619 7.716 ( 0.000 11.608 -2.227) 11.820 8.460 ( 0.000 3.359 -1.632) 3.734 ======================= Grid point 486 (163/344) ======================= q-point: ( 0.13 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.419 ( -0.000 -0.000 23.154) 23.154 0.419 ( -0.000 -0.000 23.154) 23.154 0.728 ( -0.000 -0.000 40.675) 40.675 2.111 ( 0.000 0.000 -3.692) 3.692 2.111 ( 0.000 0.000 -3.692) 3.692 4.012 ( 0.000 0.000 -10.227) 10.227 5.185 ( 0.000 -0.000 -0.069) 0.069 5.185 ( 0.000 -0.000 -0.069) 0.069 6.440 ( -0.000 -0.000 0.129) 0.129 6.440 ( -0.000 0.000 0.129) 0.129 8.210 ( -0.000 -0.000 2.501) 2.501 8.583 ( 0.000 0.000 -1.007) 1.007 ======================= Grid point 487 (164/344) ======================= q-point: ( 0.20 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.516 ( 8.912 5.146 15.145) 18.310 0.642 ( 7.604 4.390 22.294) 23.960 1.215 ( 27.531 15.895 24.736) 40.280 2.126 ( 3.324 1.919 -5.239) 6.495 2.129 ( 1.511 0.872 -3.045) 3.509 3.628 ( -9.075 -5.239 -1.373) 10.568 5.220 ( 2.739 1.582 0.215) 3.170 6.307 ( 41.568 24.000 -41.504) 63.454 6.416 ( -2.327 -1.343 0.056) 2.687 6.420 ( -1.602 -0.925 -0.003) 1.849 8.167 ( -5.249 -3.031 3.747) 7.126 8.504 ( -4.412 -2.547 -0.279) 5.102 ======================= Grid point 488 (165/344) ======================= q-point: ( 0.27 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( 14.486 8.364 6.698) 18.018 0.910 ( 11.408 6.587 12.542) 18.189 1.912 ( 28.701 16.570 12.857) 35.547 2.161 ( 2.028 1.171 -2.258) 3.252 2.219 ( 6.195 3.576 -4.610) 8.510 3.499 ( -3.168 -1.829 -4.198) 5.568 5.307 ( 4.986 2.879 0.380) 5.770 6.334 ( -4.772 -2.755 -0.382) 5.524 6.374 ( -2.323 -1.341 -0.108) 2.684 6.807 ( 17.050 9.844 -20.664) 28.541 8.008 ( -9.734 -5.620 5.601) 12.558 8.402 ( -4.582 -2.646 -4.185) 6.746 ======================= Grid point 489 (166/344) ======================= q-point: ( 0.33 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( 15.181 8.765 2.263) 17.675 1.206 ( 12.935 7.468 3.400) 15.318 2.206 ( 2.527 1.459 -1.283) 3.187 2.335 ( 7.919 4.572 -9.324) 13.060 2.549 ( 22.541 13.014 10.589) 28.100 3.453 ( 0.001 0.001 -0.796) 0.796 5.440 ( 6.785 3.918 0.462) 7.849 6.215 ( -5.332 -3.078 -0.668) 6.193 6.324 ( -1.961 -1.132 -0.192) 2.272 7.040 ( 8.463 4.886 -9.693) 13.765 7.781 ( -12.066 -6.966 5.453) 14.961 8.279 ( -4.656 -2.688 -6.101) 8.132 ======================= Grid point 490 (167/344) ======================= q-point: ( 0.40 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( 13.393 7.733 -0.491) 15.473 1.497 ( 13.120 7.575 -2.714) 15.391 2.266 ( 3.030 1.750 -0.089) 3.500 2.471 ( 6.457 3.728 -5.772) 9.429 2.957 ( 11.080 6.397 2.186) 12.980 3.521 ( 6.082 3.511 5.076) 8.665 5.602 ( 7.409 4.278 0.503) 8.570 6.113 ( -3.216 -1.857 -0.868) 3.814 6.294 ( -0.587 -0.339 -0.251) 0.723 7.130 ( 1.842 1.063 -6.023) 6.388 7.505 ( -13.925 -8.040 3.787) 16.519 8.189 ( -1.580 -0.912 -4.488) 4.845 ======================= Grid point 491 (168/344) ======================= q-point: ( 0.47 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( 9.965 5.753 -2.334) 11.741 1.769 ( 12.410 7.165 -5.770) 15.448 2.339 ( 3.335 1.926 1.158) 4.021 2.584 ( 4.782 2.761 -3.530) 6.554 3.068 ( 0.044 0.025 1.211) 1.212 3.718 ( 8.540 4.930 5.627) 11.353 5.758 ( 6.189 3.573 0.466) 7.162 6.083 ( 0.937 0.541 -1.101) 1.544 6.300 ( 1.232 0.711 -0.233) 1.441 7.099 ( -3.089 -1.783 -6.875) 7.745 7.201 ( -13.286 -7.671 3.934) 15.838 8.183 ( 1.501 0.867 -1.602) 2.360 ======================= Grid point 492 (169/344) ======================= q-point: ( 0.53 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( 6.184 3.570 -3.144) 7.802 2.012 ( 11.003 6.352 -6.889) 14.452 2.413 ( 2.628 1.518 1.948) 3.607 2.655 ( 2.269 1.310 -2.331) 3.507 3.019 ( -4.089 -2.361 1.881) 5.083 3.887 ( 5.026 2.902 4.617) 7.416 5.869 ( 3.634 2.098 0.316) 4.209 6.150 ( 5.282 3.050 -1.374) 6.252 6.341 ( 2.162 1.248 -0.108) 2.498 6.871 ( -12.512 -7.224 -1.660) 14.543 7.066 ( -2.386 -1.378 -0.251) 2.767 8.224 ( 1.958 1.130 -0.177) 2.268 ======================= Grid point 493 (170/344) ======================= q-point: ( 0.60 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( 3.187 1.840 -2.827) 4.640 2.213 ( 8.713 5.030 -6.411) 11.930 2.454 ( 0.275 0.159 1.959) 1.984 2.667 ( -0.573 -0.331 -1.299) 1.458 2.922 ( -4.457 -2.573 0.015) 5.146 3.969 ( 1.114 0.643 4.813) 4.982 5.922 ( 1.077 0.622 0.157) 1.253 6.297 ( 7.827 4.519 -1.677) 9.192 6.380 ( 1.076 0.621 0.014) 1.243 6.616 ( -9.723 -5.613 0.468) 11.237 7.039 ( -0.015 -0.009 0.111) 0.113 8.257 ( 0.915 0.528 0.130) 1.065 ======================= Grid point 494 (171/344) ======================= q-point: (-0.33 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.050 ( 0.766 0.442 -1.497) 1.739 2.335 ( 2.076 1.199 -1.337) 2.745 2.428 ( -2.993 -1.728 1.150) 3.642 2.657 ( 1.574 0.909 -2.208) 2.860 2.833 ( -3.133 -1.809 -3.176) 4.814 3.959 ( -3.411 -1.970 4.427) 5.926 5.919 ( -1.327 -0.766 0.059) 1.533 6.348 ( -5.781 -3.338 0.525) 6.696 6.381 ( -0.977 -0.564 0.059) 1.130 6.573 ( 8.350 4.821 -1.332) 9.734 7.066 ( 2.350 1.357 1.241) 2.984 8.266 ( -0.011 -0.006 0.534) 0.535 ======================= Grid point 495 (172/344) ======================= q-point: (-0.27 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.034 ( -2.575 -1.487 1.491) 3.326 2.275 ( -7.220 -4.168 5.579) 10.031 2.334 ( -5.132 -2.963 -1.171) 6.040 2.718 ( -0.493 -0.285 1.739) 1.830 2.800 ( 5.639 3.256 -10.251) 12.144 3.828 ( -9.643 -5.567 2.411) 11.392 5.861 ( -4.030 -2.327 -0.058) 4.654 6.213 ( -5.409 -3.123 1.609) 6.450 6.345 ( -1.933 -1.116 0.097) 2.234 6.793 ( 10.580 6.108 -4.185) 12.913 7.150 ( 4.755 2.745 2.373) 5.981 8.270 ( 0.355 0.205 1.781) 1.828 ======================= Grid point 496 (173/344) ======================= q-point: (-0.20 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( -9.264 -5.349 6.081) 12.305 2.075 ( -12.296 -7.099 8.092) 16.342 2.225 ( -3.162 -1.826 -4.871) 6.087 2.649 ( -4.422 -2.553 -0.245) 5.112 2.975 ( 9.907 5.720 -5.311) 12.612 3.535 ( -16.942 -9.781 -0.849) 19.581 5.740 ( -6.606 -3.814 -0.284) 7.633 6.136 ( -1.707 -0.985 1.446) 2.444 6.310 ( -0.997 -0.576 0.207) 1.170 6.981 ( 7.282 4.204 -6.843) 10.841 7.294 ( 7.475 4.316 2.854) 9.092 8.303 ( 2.063 1.191 3.305) 4.074 ======================= Grid point 497 (174/344) ======================= q-point: (-0.13 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( -14.816 -8.554 8.169) 18.958 1.783 ( -16.157 -9.328 8.977) 20.704 2.166 ( -1.061 -0.613 -5.642) 5.774 2.516 ( -8.073 -4.661 -1.248) 9.406 3.061 ( -20.531 -11.854 5.374) 24.309 3.202 ( 7.162 4.135 -9.681) 12.732 5.577 ( -7.646 -4.415 -0.552) 8.846 6.147 ( 2.264 1.307 0.788) 2.730 6.307 ( 0.663 0.383 0.339) 0.838 7.070 ( 2.788 1.610 -7.530) 8.189 7.492 ( 9.433 5.446 2.135) 11.100 8.378 ( 3.463 1.999 3.412) 5.256 ======================= Grid point 502 (175/344) ======================= q-point: ( 0.20 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.673 ( -0.000 18.794 12.910) 22.801 0.792 ( -0.000 15.929 18.204) 24.189 1.197 ( -0.000 21.347 30.303) 37.067 2.063 ( 0.000 -0.952 -5.785) 5.863 2.164 ( 0.000 6.346 -3.944) 7.472 3.619 ( 0.000 -11.765 -2.885) 12.114 5.202 ( -0.000 2.364 -0.267) 2.379 6.182 ( 0.000 46.377 -35.626) 58.481 6.414 ( 0.000 -1.494 -0.905) 1.747 6.428 ( -0.000 -1.459 0.234) 1.478 8.175 ( -0.000 -6.218 3.749) 7.261 8.519 ( 0.000 -3.194 -0.958) 3.335 ======================= Grid point 503 (176/344) ======================= q-point: ( 0.27 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( -0.430 22.292 8.007) 23.691 0.962 ( 0.497 14.469 18.372) 23.391 1.710 ( 20.651 21.648 16.717) 34.272 2.080 ( 4.923 -0.163 -4.386) 6.595 2.224 ( 0.474 7.819 -4.610) 9.089 3.495 ( -2.043 -5.387 -5.391) 7.890 5.265 ( 3.615 3.589 0.031) 5.094 6.351 ( -1.631 -4.146 -0.862) 4.538 6.397 ( -1.649 -1.629 0.155) 2.324 6.603 ( 13.684 20.878 -23.976) 34.612 8.072 ( -4.619 -9.263 4.974) 11.484 8.451 ( -4.263 -1.804 -3.191) 5.622 ======================= Grid point 504 (177/344) ======================= q-point: ( 0.33 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( 3.112 16.589 12.389) 20.937 1.206 ( 5.258 17.415 3.682) 18.560 2.109 ( 8.336 1.739 -6.226) 10.548 2.299 ( 1.960 9.679 -7.547) 12.429 2.370 ( 19.701 15.188 13.494) 28.300 3.429 ( 0.496 -2.605 -3.535) 4.419 5.384 ( 5.420 5.226 0.332) 7.537 6.254 ( -3.990 -4.758 -0.662) 6.245 6.352 ( -2.073 -0.889 -0.024) 2.256 6.895 ( 11.117 8.250 -13.005) 18.995 7.886 ( -8.051 -10.108 5.516) 14.050 8.331 ( -6.078 -1.905 -5.369) 8.330 ======================= Grid point 505 (178/344) ======================= q-point: ( 0.40 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( 6.512 12.207 7.640) 15.805 1.478 ( 6.821 17.118 -2.065) 18.542 2.222 ( 5.329 2.437 -2.703) 6.453 2.401 ( 4.307 6.116 -6.254) 9.750 2.836 ( 14.246 11.303 4.285) 18.683 3.459 ( 5.170 0.841 1.995) 5.605 5.543 ( 6.356 6.616 0.556) 9.191 6.142 ( -3.686 -3.733 -0.761) 5.302 6.317 ( -1.683 0.608 -0.241) 1.806 7.055 ( 5.921 1.555 -7.682) 9.822 7.646 ( -11.108 -9.810 4.653) 15.533 8.206 ( -4.068 -1.670 -4.971) 6.637 ======================= Grid point 506 (179/344) ======================= q-point: ( 0.47 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( 8.107 9.464 2.047) 12.628 1.735 ( 6.370 14.581 -3.660) 16.327 2.323 ( 3.299 4.620 -0.377) 5.689 2.516 ( 5.226 3.802 -4.118) 7.663 3.049 ( 3.691 2.344 0.193) 4.377 3.630 ( 9.365 4.606 4.997) 11.571 5.715 ( 5.696 7.191 0.708) 9.201 6.073 ( -0.783 -1.551 -0.868) 1.942 6.311 ( -0.570 2.253 -0.384) 2.356 7.081 ( 0.492 -2.211 -6.751) 7.121 7.362 ( -13.251 -8.523 3.446) 16.128 8.154 ( 0.651 -1.081 -2.182) 2.521 ======================= Grid point 507 (180/344) ======================= q-point: ( 0.53 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( 7.028 7.034 -0.570) 9.960 1.946 ( 5.635 11.714 -5.211) 14.005 2.418 ( 1.903 5.692 1.126) 6.106 2.612 ( 3.787 2.075 -2.620) 5.051 3.058 ( -2.152 -1.603 0.777) 2.793 3.827 ( 7.230 3.248 4.161) 8.951 5.861 ( 3.173 6.821 0.699) 7.555 6.090 ( 3.469 0.872 -1.063) 3.732 6.338 ( 0.703 3.201 -0.356) 3.296 6.980 ( -7.611 -5.574 -6.062) 11.214 7.115 ( -7.219 -3.830 3.070) 8.730 8.177 ( 3.197 -1.273 -0.254) 3.450 ======================= Grid point 508 (181/344) ======================= q-point: ( 0.60 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( 3.247 5.142 -1.850) 6.357 2.129 ( 6.466 8.796 -5.889) 12.405 2.491 ( -0.434 5.271 1.960) 5.640 2.660 ( 1.088 0.626 -1.853) 2.238 2.976 ( -4.821 -2.613 0.014) 5.483 3.950 ( 3.758 0.803 4.474) 5.898 5.950 ( -0.074 5.925 0.477) 5.945 6.192 ( 6.979 1.995 -1.215) 7.360 6.385 ( 1.107 3.307 -0.254) 3.496 6.741 ( -11.027 -5.096 -1.233) 12.210 7.044 ( -1.168 -0.772 0.341) 1.440 8.216 ( 3.069 -2.028 0.172) 3.683 ======================= Grid point 509 (182/344) ======================= q-point: (-0.33 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( 0.530 3.354 -1.960) 3.921 2.284 ( 5.251 5.244 -4.815) 8.846 2.505 ( -3.816 3.343 2.237) 5.544 2.658 ( -0.765 0.913 -1.474) 1.895 2.867 ( -4.517 -2.255 -2.112) 5.472 3.992 ( -0.327 -1.231 4.933) 5.095 5.976 ( -2.940 4.488 0.268) 5.372 6.304 ( 4.117 -2.019 -0.659) 4.632 6.439 ( 0.265 3.752 -0.914) 3.871 6.559 ( -4.446 0.490 0.516) 4.503 7.046 ( 1.310 0.521 0.707) 1.577 8.236 ( 2.111 -2.750 0.244) 3.476 ======================= Grid point 510 (183/344) ======================= q-point: (-0.27 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( -1.512 0.636 -0.655) 1.766 2.338 ( -1.864 -0.340 0.235) 1.909 2.440 ( -7.111 1.244 1.847) 7.452 2.691 ( 3.286 3.994 -2.157) 5.604 2.777 ( -2.809 -0.945 -5.081) 5.882 3.932 ( -6.286 -3.417 3.983) 8.189 5.940 ( -5.392 2.204 0.207) 5.828 6.257 ( -3.669 -4.862 0.731) 6.134 6.399 ( -4.039 1.579 0.246) 4.343 6.683 ( 8.808 7.182 -2.766) 11.697 7.101 ( 3.872 1.197 1.572) 4.347 8.242 ( 1.950 -2.867 0.885) 3.579 ======================= Grid point 511 (184/344) ======================= q-point: (-0.20 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.994 ( -5.041 -4.373 3.138) 7.374 2.229 ( -9.051 -3.000 3.223) 10.065 2.321 ( -8.343 1.778 -0.626) 8.554 2.684 ( -3.080 -2.976 -0.252) 4.291 2.858 ( 8.562 7.108 -6.864) 13.075 3.727 ( -14.213 -6.009 2.001) 15.560 5.840 ( -7.676 -0.267 0.163) 7.682 6.160 ( -2.854 -3.010 1.049) 4.279 6.355 ( -3.397 1.918 0.211) 3.907 6.883 ( 8.065 6.085 -5.617) 11.560 7.210 ( 6.825 1.770 2.412) 7.452 8.263 ( 3.191 -2.102 1.978) 4.302 ======================= Grid point 512 (185/344) ======================= q-point: (-0.13 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( -11.414 -10.043 7.674) 17.031 2.014 ( -13.966 -3.667 3.830) 14.939 2.220 ( -5.750 3.466 -4.008) 7.819 2.586 ( -5.170 -3.406 -0.564) 6.217 3.065 ( 10.045 6.019 -4.771) 12.645 3.355 ( -22.358 -8.117 1.057) 23.810 5.687 ( -9.173 -1.784 0.003) 9.345 6.126 ( 0.808 -0.816 0.696) 1.343 6.329 ( -1.895 1.988 0.195) 2.754 7.016 ( 4.221 3.757 -7.057) 9.041 7.376 ( 9.657 2.582 2.403) 10.281 8.321 ( 4.783 -1.104 2.171) 5.367 ======================= Grid point 518 (186/344) ======================= q-point: ( 0.27 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( -0.000 21.552 7.172) 22.714 1.206 ( -0.000 17.169 13.133) 21.616 1.824 ( -0.000 27.431 19.564) 33.693 2.010 ( 0.000 -0.617 -7.002) 7.029 2.289 ( 0.000 8.951 -5.818) 10.676 3.436 ( 0.000 -5.963 -5.730) 8.270 5.275 ( -0.000 5.371 -0.112) 5.372 6.320 ( 0.000 -4.445 -0.616) 4.488 6.391 ( 0.000 -2.444 0.149) 2.449 6.634 ( 0.000 19.257 -19.122) 27.138 8.021 ( -0.000 -11.736 4.661) 12.628 8.463 ( 0.000 -1.617 -3.977) 4.293 ======================= Grid point 519 (187/344) ======================= q-point: ( 0.33 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( 0.460 20.035 3.122) 20.282 1.377 ( -2.961 18.218 13.954) 23.138 2.002 ( 3.936 2.574 -7.486) 8.840 2.282 ( 13.465 18.668 14.615) 27.265 2.360 ( 1.029 11.844 -9.021) 14.923 3.374 ( 0.670 -3.975 -3.679) 5.458 5.365 ( 3.580 6.733 0.229) 7.629 6.255 ( -2.127 -5.071 -0.406) 5.514 6.362 ( -0.610 -1.873 0.028) 1.970 6.796 ( 6.394 10.391 -12.360) 17.368 7.886 ( -3.466 -12.540 4.550) 13.783 8.394 ( -4.599 -1.647 -5.066) 7.037 ======================= Grid point 520 (188/344) ======================= q-point: ( 0.40 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( -1.250 14.960 8.288) 17.148 1.582 ( 1.786 19.798 2.702) 20.061 2.118 ( 8.258 3.543 -5.774) 10.681 2.407 ( 1.060 6.227 -5.301) 8.246 2.747 ( 12.767 16.075 3.465) 20.818 3.384 ( 4.256 -0.155 1.338) 4.464 5.517 ( 5.572 8.191 0.697) 9.931 6.159 ( -3.296 -4.303 -0.614) 5.455 6.342 ( -0.577 -0.026 -0.321) 0.661 6.942 ( 6.494 2.609 -7.562) 10.303 7.699 ( -6.248 -11.969 4.242) 14.152 8.265 ( -6.337 -1.641 -5.227) 8.377 ======================= Grid point 521 (189/344) ======================= q-point: ( 0.47 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( 1.703 12.463 4.526) 13.368 1.806 ( 2.750 17.168 0.290) 17.390 2.285 ( 7.204 5.857 -2.484) 9.611 2.478 ( 2.790 4.873 -4.093) 6.949 3.000 ( 5.588 4.420 -1.207) 7.226 3.536 ( 8.774 5.403 4.658) 11.308 5.702 ( 5.885 9.254 1.117) 11.023 6.076 ( -2.126 -2.414 -0.759) 3.305 6.343 ( -0.331 2.261 -0.768) 2.411 7.006 ( 3.300 -2.254 -6.009) 7.217 7.474 ( -9.209 -10.124 3.407) 14.104 8.150 ( -3.288 -1.675 -3.349) 4.983 ======================= Grid point 522 (190/344) ======================= q-point: ( 0.53 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( 3.680 10.546 2.819) 11.520 1.993 ( 2.254 13.464 -2.333) 13.849 2.442 ( 4.009 7.792 -0.083) 8.763 2.565 ( 3.651 3.247 -2.326) 5.411 3.059 ( 0.835 -0.659 -0.649) 1.246 3.743 ( 7.844 4.275 3.096) 9.454 5.883 ( 4.235 9.209 1.446) 10.239 6.051 ( 1.147 0.037 -0.960) 1.496 6.368 ( 0.000 3.757 -1.043) 3.899 6.979 ( -0.841 -3.959 -5.957) 7.202 7.233 ( -10.177 -6.700 2.950) 12.536 8.111 ( 1.450 -2.485 -0.912) 3.018 ======================= Grid point 523 (191/344) ======================= q-point: ( 0.60 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( 2.553 8.596 1.527) 9.096 2.134 ( 2.547 10.157 -3.956) 11.194 2.558 ( 0.813 6.642 1.472) 6.852 2.637 ( 2.320 2.407 -1.409) 3.628 3.028 ( -3.259 -0.641 -0.954) 3.456 3.886 ( 5.664 0.602 2.787) 6.342 6.015 ( 1.284 7.672 1.374) 7.899 6.111 ( 4.545 2.416 -1.083) 5.261 6.404 ( 0.425 3.410 -0.995) 3.578 6.855 ( -7.720 -3.560 -3.527) 9.204 7.074 ( -3.965 -2.044 1.645) 4.755 8.128 ( 3.689 -3.747 0.084) 5.259 ======================= Grid point 524 (192/344) ======================= q-point: ( 0.67 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.094 ( -0.526 6.544 -0.047) 6.565 2.257 ( 3.451 7.126 -3.950) 8.848 2.593 ( -1.963 1.670 1.955) 3.235 2.680 ( 0.131 2.861 -0.361) 2.887 2.945 ( -6.359 2.052 -2.856) 7.267 3.965 ( 3.407 -1.874 3.766) 5.413 6.081 ( -2.113 6.352 0.762) 6.737 6.214 ( 5.061 1.034 -0.774) 5.223 6.444 ( 1.676 2.300 -0.986) 3.012 6.686 ( -8.729 0.953 -0.356) 8.789 7.041 ( -0.131 0.185 0.431) 0.487 8.150 ( 3.692 -4.794 0.141) 6.053 ======================= Grid point 525 (193/344) ======================= q-point: (-0.27 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( -3.066 3.628 -0.508) 4.777 2.346 ( 1.545 3.361 -2.584) 4.513 2.551 ( -3.975 -0.398 2.229) 4.575 2.699 ( 0.150 1.036 0.565) 1.190 2.854 ( -7.250 5.609 -4.946) 10.416 3.976 ( -0.988 -3.122 3.778) 5.000 6.066 ( -5.522 3.726 0.561) 6.685 6.249 ( -0.144 -3.000 -0.142) 3.006 6.477 ( -1.240 1.859 -0.629) 2.322 6.650 ( 1.209 7.731 -0.818) 7.868 7.062 ( 1.980 0.469 0.724) 2.160 8.160 ( 3.336 -5.135 0.293) 6.130 ======================= Grid point 526 (194/344) ======================= q-point: (-0.20 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( -5.398 -1.028 0.952) 5.577 2.334 ( -4.606 -0.103 -0.225) 4.613 2.474 ( -6.503 1.417 1.261) 6.774 2.694 ( -1.255 -3.298 1.292) 3.757 2.831 ( -0.031 9.270 -6.124) 11.111 3.878 ( -8.196 -3.967 2.599) 9.469 5.979 ( -7.749 1.150 0.814) 7.876 6.180 ( -3.157 -3.302 0.104) 4.570 6.451 ( -4.322 3.533 -0.026) 5.582 6.804 ( 7.027 7.381 -3.846) 10.892 7.124 ( 4.925 0.005 1.698) 5.209 8.173 ( 3.984 -4.455 0.758) 6.025 ======================= Grid point 527 (195/344) ======================= q-point: (-0.13 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( -9.100 -5.885 4.113) 11.592 2.195 ( -10.562 -1.832 -0.156) 10.720 2.375 ( -8.162 3.774 -0.785) 9.027 2.621 ( -3.194 -3.115 -0.188) 4.465 2.965 ( 6.953 6.650 -3.780) 10.337 3.636 ( -16.856 -4.170 2.049) 17.485 5.840 ( -9.699 -0.144 0.943) 9.745 6.114 ( -1.139 -1.976 -0.114) 2.284 6.407 ( -4.407 2.767 -0.199) 5.208 6.961 ( 5.406 5.654 -5.831) 9.757 7.242 ( 8.576 -0.044 2.616) 8.966 8.217 ( 5.394 -3.258 0.617) 6.332 ======================= Grid point 534 (196/344) ======================= q-point: ( 0.33 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( -0.000 19.321 3.220) 19.588 1.595 ( -0.000 16.554 7.783) 18.293 1.962 ( 0.000 -0.063 -6.219) 6.219 2.381 ( -0.000 9.073 4.644) 10.193 2.467 ( -0.000 24.287 -2.848) 24.454 3.325 ( 0.000 -2.713 -0.775) 2.822 5.406 ( -0.000 8.062 0.275) 8.066 6.226 ( 0.000 -4.589 -0.118) 4.591 6.343 ( 0.000 -2.311 -0.080) 2.313 6.804 ( 0.000 7.613 -9.022) 11.804 7.799 ( -0.000 -13.482 3.573) 13.947 8.403 ( 0.000 -1.751 -5.260) 5.543 ======================= Grid point 535 (197/344) ======================= q-point: ( 0.40 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( -2.388 14.669 -2.335) 15.044 1.786 ( -0.111 16.735 10.009) 19.500 2.005 ( 6.582 3.214 -5.912) 9.413 2.432 ( 0.500 4.720 -6.504) 8.052 2.763 ( 6.077 18.374 1.962) 19.452 3.342 ( 2.507 2.547 4.184) 5.502 5.522 ( 3.756 9.048 0.623) 9.816 6.166 ( -2.198 -3.633 -0.410) 4.266 6.331 ( 0.812 -1.103 -0.309) 1.404 6.864 ( 3.294 2.358 -5.670) 6.969 7.658 ( -2.440 -13.123 2.841) 13.647 8.331 ( -4.539 -1.619 -5.161) 7.061 ======================= Grid point 536 (198/344) ======================= q-point: ( 0.47 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( -0.145 10.511 -2.085) 10.717 1.962 ( -0.291 15.132 6.740) 16.568 2.192 ( 10.017 7.407 -3.652) 12.982 2.474 ( 1.830 4.139 -5.504) 7.126 2.956 ( 3.885 4.440 -0.964) 5.978 3.495 ( 5.935 9.583 5.798) 12.676 5.699 ( 5.893 9.844 1.110) 11.527 6.093 ( -2.678 -1.957 -0.754) 3.402 6.348 ( 1.402 1.116 -0.891) 2.001 6.909 ( 3.497 -2.201 -3.939) 5.709 7.488 ( -4.373 -11.663 2.305) 12.667 8.209 ( -6.087 -1.289 -4.083) 7.442 ======================= Grid point 537 (199/344) ======================= q-point: ( 0.53 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( 2.762 9.794 0.397) 10.184 2.100 ( 0.123 11.376 1.540) 11.480 2.420 ( 7.601 8.745 -0.118) 11.587 2.544 ( 3.067 4.544 -3.029) 6.263 3.015 ( 2.782 -1.301 -0.457) 3.105 3.694 ( 5.147 7.766 2.689) 9.698 5.898 ( 5.589 9.724 1.648) 11.337 6.049 ( -0.976 0.258 -0.982) 1.408 6.388 ( 1.228 2.914 -1.587) 3.539 6.914 ( 2.076 -3.814 -3.586) 5.631 7.305 ( -6.232 -8.902 1.880) 11.028 8.102 ( -3.544 -1.682 -2.066) 4.434 ======================= Grid point 538 (200/344) ======================= q-point: ( 0.60 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( 3.104 9.268 1.799) 9.938 2.200 ( 0.352 8.702 -1.094) 8.778 2.569 ( 3.141 3.128 0.218) 4.438 2.646 ( 2.207 6.500 0.284) 6.870 3.047 ( 1.777 1.152 -0.876) 2.292 3.816 ( 3.582 1.906 0.872) 4.150 6.044 ( 1.995 3.950 1.189) 4.582 6.089 ( 3.426 6.509 -0.318) 7.362 6.424 ( 0.253 2.298 -1.922) 3.007 6.891 ( -0.667 -1.434 -3.189) 3.560 7.137 ( -5.878 -4.748 1.718) 7.749 8.050 ( 0.470 -3.344 -0.463) 3.408 ======================= Grid point 539 (201/344) ======================= q-point: ( 0.67 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( 0.458 8.129 1.632) 8.304 2.280 ( 1.011 6.829 -1.944) 7.172 2.613 ( 0.394 0.257 -0.030) 0.471 2.697 ( -0.124 -0.039 1.772) 1.777 3.086 ( -3.263 9.425 -2.553) 10.295 3.875 ( 4.430 -3.214 1.625) 5.709 6.120 ( 3.184 3.226 0.166) 4.536 6.193 ( 0.947 5.217 0.418) 5.319 6.430 ( 0.509 -0.419 -1.504) 1.642 6.838 ( -5.944 3.638 -1.156) 7.064 7.054 ( -1.400 -0.702 0.628) 1.687 8.039 ( 2.985 -5.225 0.031) 6.018 ======================= Grid point 540 (202/344) ======================= q-point: (-0.27 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.221 ( -3.799 6.034 0.709) 7.166 2.351 ( 1.349 4.443 -1.799) 4.980 2.591 ( -1.942 -1.474 1.061) 2.659 2.681 ( 0.540 -3.265 0.761) 3.395 3.081 ( -9.249 12.507 -3.179) 15.876 3.918 ( 4.352 -4.909 2.410) 6.989 6.177 ( -2.648 3.163 0.572) 4.165 6.219 ( 0.735 -0.319 -0.377) 0.886 6.451 ( 3.428 -0.345 -0.985) 3.583 6.789 ( -6.044 8.703 0.147) 10.596 7.050 ( 0.212 0.266 -0.047) 0.343 8.043 ( 3.882 -5.963 0.063) 7.115 ======================= Grid point 541 (203/344) ======================= q-point: (-0.20 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.167 ( -7.156 1.638 0.761) 7.381 2.382 ( -1.090 1.584 -1.617) 2.513 2.551 ( -2.134 0.221 1.106) 2.413 2.666 ( 0.986 -3.242 1.414) 3.672 3.012 ( -10.211 10.251 -2.961) 14.768 3.920 ( -0.342 -4.148 1.612) 4.463 6.106 ( -6.281 0.123 0.914) 6.348 6.203 ( -2.219 -1.363 -0.286) 2.620 6.510 ( 1.829 1.614 -1.380) 2.803 6.816 ( -0.943 9.346 -0.964) 9.443 7.063 ( 2.098 -1.141 0.619) 2.467 8.058 ( 4.341 -4.975 0.114) 6.604 ======================= Grid point 542 (204/344) ======================= q-point: (-0.13 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.031 ( -9.066 -2.154 1.875) 9.505 2.320 ( -6.281 -0.915 -1.953) 6.641 2.519 ( -4.528 2.795 0.117) 5.323 2.639 ( -1.920 -3.091 1.944) 4.126 2.973 ( -2.078 6.784 -1.855) 7.334 3.820 ( -8.211 -2.714 0.852) 8.689 5.993 ( -7.823 -0.225 1.520) 7.972 6.134 ( -3.471 -1.323 -0.777) 3.795 6.504 ( -3.761 1.505 -1.381) 4.280 6.921 ( 4.229 6.774 -3.699) 8.801 7.115 ( 5.919 -2.305 2.313) 6.759 8.097 ( 5.023 -3.074 -0.256) 5.895 ======================= Grid point 550 (205/344) ======================= q-point: ( 0.40 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( 0.000 7.245 -7.823) 10.662 1.889 ( 0.000 13.761 -2.969) 14.078 1.988 ( -0.000 7.971 6.772) 10.460 2.443 ( 0.000 3.295 -7.874) 8.536 2.878 ( -0.000 11.640 2.066) 11.822 3.396 ( -0.000 10.094 7.449) 12.544 5.578 ( -0.000 9.250 0.597) 9.270 6.156 ( 0.000 -2.225 -0.668) 2.323 6.308 ( 0.000 -1.010 -0.301) 1.054 6.839 ( 0.000 0.127 -3.217) 3.220 7.556 ( 0.000 -12.958 1.485) 13.043 8.340 ( 0.000 -1.508 -4.818) 5.048 ======================= Grid point 551 (206/344) ======================= q-point: ( 0.47 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( -1.207 5.884 -6.418) 8.791 2.066 ( 5.410 5.246 -4.993) 9.039 2.130 ( 4.044 13.928 4.765) 15.266 2.464 ( 1.286 3.363 -5.368) 6.464 2.955 ( 0.557 1.900 2.578) 3.250 3.566 ( 2.178 14.992 6.372) 16.434 5.706 ( 4.290 9.181 0.785) 10.164 6.120 ( -2.138 -0.559 -1.185) 2.508 6.321 ( 2.000 0.455 -0.600) 2.137 6.835 ( 1.607 -2.759 -1.397) 3.485 7.426 ( -1.577 -11.754 0.562) 11.873 8.277 ( -4.219 -1.046 -3.957) 5.878 ======================= Grid point 552 (207/344) ======================= q-point: ( 0.53 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( 3.246 6.819 -2.681) 8.014 2.163 ( 2.946 4.421 -2.764) 5.988 2.382 ( 8.497 11.829 1.575) 14.650 2.520 ( 2.882 3.714 -2.961) 5.555 2.965 ( 0.741 -2.727 2.991) 4.114 3.747 ( 1.283 12.106 2.779) 12.487 5.890 ( 6.493 8.818 1.123) 11.008 6.080 ( -2.180 1.321 -1.402) 2.909 6.372 ( 2.715 1.942 -1.332) 3.595 6.829 ( 2.315 -4.353 -0.595) 4.966 7.287 ( -2.600 -9.688 0.168) 10.032 8.171 ( -5.984 -0.592 -2.551) 6.532 ======================= Grid point 553 (208/344) ======================= q-point: ( 0.60 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( 4.944 7.559 0.118) 9.034 2.243 ( 2.619 4.333 -1.881) 5.401 2.554 ( 2.199 3.433 1.255) 4.266 2.654 ( 5.426 7.535 -0.854) 9.325 2.981 ( 4.898 -1.743 2.161) 5.630 3.838 ( -1.435 6.040 -0.073) 6.209 6.057 ( 1.619 4.076 0.748) 4.449 6.093 ( 3.354 6.314 -0.519) 7.169 6.423 ( 1.287 1.401 -1.986) 2.750 6.840 ( 3.605 -2.314 -0.538) 4.317 7.160 ( -3.090 -6.601 0.315) 7.295 8.065 ( -4.878 -1.121 -1.110) 5.127 ======================= Grid point 554 (209/344) ======================= q-point: ( 0.67 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.217 ( 3.674 6.846 0.567) 7.790 2.322 ( 1.742 5.000 -0.599) 5.328 2.602 ( 1.200 0.871 0.274) 1.507 2.704 ( -1.774 -1.953 1.258) 2.923 3.146 ( 8.160 8.873 0.126) 12.055 3.824 ( -2.336 -0.995 -0.664) 2.625 6.107 ( 1.767 3.679 -0.365) 4.098 6.217 ( 2.800 4.851 0.961) 5.683 6.417 ( -0.949 -1.596 -1.715) 2.528 6.901 ( 2.723 3.124 -0.855) 4.231 7.071 ( -1.998 -2.741 0.666) 3.457 7.985 ( -2.048 -2.985 -0.265) 3.630 ======================= Grid point 555 (210/344) ======================= q-point: ( 0.73 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.315 ( 0.688 5.261 -0.086) 5.307 2.387 ( -0.281 5.403 0.444) 5.428 2.606 ( -1.777 -1.642 0.267) 2.434 2.634 ( 0.052 -5.015 0.538) 5.044 3.326 ( -2.538 14.724 -1.300) 14.998 3.777 ( 3.479 -7.726 0.693) 8.501 6.180 ( 2.540 2.983 -0.239) 3.925 6.267 ( -2.071 2.438 0.517) 3.240 6.382 ( 1.779 -3.150 -0.839) 3.714 6.949 ( -2.619 6.485 0.087) 6.994 7.050 ( 0.198 0.022 -0.173) 0.264 7.941 ( 1.303 -4.486 -0.021) 4.672 ======================= Grid point 556 (211/344) ======================= q-point: (-0.20 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( -6.577 2.554 0.324) 7.063 2.407 ( -1.024 1.635 -0.415) 1.974 2.566 ( 0.923 -1.271 1.152) 1.948 2.619 ( 0.802 -2.303 0.247) 2.451 3.300 ( -12.797 9.373 -0.993) 15.893 3.817 ( 7.221 -5.431 0.351) 9.042 6.200 ( -4.499 -0.618 -0.114) 4.543 6.225 ( -1.304 1.234 0.568) 1.883 6.435 ( 5.845 -0.441 -1.301) 6.004 6.960 ( -4.034 7.414 0.460) 8.453 7.036 ( -0.761 -2.002 -0.383) 2.176 7.946 ( 3.802 -3.261 -0.049) 5.009 ======================= Grid point 557 (212/344) ======================= q-point: (-0.13 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.178 ( -9.392 -0.963 1.051) 9.500 2.380 ( -2.877 -0.581 -2.205) 3.671 2.587 ( -1.076 2.701 0.436) 2.939 2.621 ( 1.636 -2.408 2.592) 3.898 3.141 ( -11.230 2.873 0.071) 11.591 3.858 ( 0.879 -1.737 -0.772) 2.094 6.104 ( -5.933 -0.283 0.718) 5.983 6.191 ( -3.662 -0.069 -0.069) 3.664 6.513 ( 2.871 -0.111 -2.440) 3.769 6.947 ( -1.978 2.258 -1.224) 3.242 7.027 ( 2.198 -1.636 1.417) 3.085 7.999 ( 4.444 -0.370 -0.346) 4.473 ======================= Grid point 566 (213/344) ======================= q-point: ( 0.47 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( 0.000 2.056 -6.282) 6.610 2.025 ( 0.000 4.735 -10.848) 11.837 2.234 ( -0.000 10.571 4.566) 11.515 2.480 ( 0.000 4.379 -1.921) 4.782 2.968 ( -0.000 -1.449 4.839) 5.051 3.723 ( -0.000 16.340 4.995) 17.086 5.751 ( -0.000 7.823 0.569) 7.843 6.138 ( 0.000 1.239 -1.951) 2.311 6.306 ( 0.000 1.076 -0.321) 1.123 6.790 ( -0.000 -3.968 0.675) 4.025 7.329 ( 0.000 -10.583 -0.806) 10.613 8.294 ( 0.000 -0.776 -3.285) 3.375 ======================= Grid point 567 (214/344) ======================= q-point: ( 0.53 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( 2.824 3.741 -3.381) 5.779 2.078 ( 5.770 1.008 -9.597) 11.243 2.379 ( 4.986 9.567 2.484) 11.070 2.527 ( 0.588 4.281 0.146) 4.324 2.950 ( -0.751 -3.739 5.088) 6.358 3.878 ( -0.578 13.244 2.311) 13.456 5.866 ( 5.119 6.611 0.526) 8.378 6.132 ( -2.044 2.872 -2.152) 4.130 6.343 ( 2.344 2.062 -0.606) 3.180 6.758 ( 0.966 -5.097 1.733) 5.469 7.224 ( -0.940 -8.546 -1.415) 8.714 8.246 ( -3.865 -0.268 -2.248) 4.479 ======================= Grid point 568 (215/344) ======================= q-point: ( 0.60 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.040 ( 6.054 5.744 0.048) 8.345 2.169 ( 7.008 0.173 -5.792) 9.093 2.570 ( 0.955 3.777 1.809) 4.296 2.597 ( 8.760 7.081 -1.024) 11.311 2.913 ( 0.290 -4.732 4.833) 6.770 3.954 ( -3.280 8.274 -0.288) 8.905 6.033 ( 6.837 5.133 0.622) 8.572 6.127 ( -1.510 4.393 -1.718) 4.953 6.402 ( 2.187 1.807 -1.125) 3.052 6.745 ( 3.254 -4.728 1.756) 6.002 7.131 ( -1.288 -5.824 -1.185) 6.081 8.156 ( -6.069 0.072 -1.166) 6.181 ======================= Grid point 569 (216/344) ======================= q-point: ( 0.67 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.197 ( 5.494 5.213 0.477) 7.589 2.279 ( 6.665 1.445 -2.087) 7.132 2.600 ( 0.302 1.078 0.765) 1.356 2.725 ( -1.185 -0.198 -0.144) 1.210 3.002 ( 13.346 1.780 2.969) 13.788 3.923 ( -6.752 3.421 -1.511) 7.718 6.129 ( 0.404 4.142 -0.524) 4.194 6.197 ( 4.176 3.161 0.286) 5.245 6.421 ( -0.813 -0.090 -0.961) 1.262 6.811 ( 7.904 -1.302 0.658) 8.038 7.068 ( -0.985 -2.648 -0.347) 2.846 8.046 ( -6.446 -0.383 -0.415) 6.471 ======================= Grid point 570 (217/344) ======================= q-point: ( 0.73 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.313 ( 3.660 2.851 0.058) 4.639 2.397 ( 5.077 2.871 -0.494) 5.854 2.605 ( -0.308 -1.428 0.290) 1.489 2.638 ( -4.919 -3.018 0.147) 5.773 3.303 ( 15.906 4.746 1.164) 16.640 3.794 ( -9.765 -0.564 -1.053) 9.838 6.180 ( 1.160 3.572 -0.236) 3.764 6.270 ( 3.312 -0.277 0.312) 3.338 6.376 ( -3.523 -0.619 -0.225) 3.584 6.954 ( 7.220 1.757 -0.472) 7.446 7.044 ( -0.257 -0.500 0.498) 0.751 7.941 ( -4.629 -1.168 -0.077) 4.775 ======================= Grid point 571 (218/344) ======================= q-point: (-0.20 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.373 ( 1.029 1.128 0.000) 1.527 2.486 ( -5.272 -6.130 0.009) 8.086 2.497 ( 3.033 3.668 -0.011) 4.760 2.610 ( -0.113 -0.145 0.001) 0.184 3.589 ( -13.004 -0.969 0.072) 13.041 3.590 ( 13.593 1.626 -0.072) 13.690 6.217 ( 0.553 0.646 0.025) 0.851 6.297 ( -2.841 -2.640 -0.080) 3.879 6.339 ( 2.996 2.758 0.055) 4.072 7.019 ( -0.517 -0.371 -0.005) 0.637 7.054 ( 0.508 0.388 0.004) 0.639 7.893 ( 0.071 0.078 -0.000) 0.105 ======================= Grid point 572 (219/344) ======================= q-point: (-0.13 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( -7.165 -3.501 0.248) 7.979 2.402 ( -1.107 -0.617 -0.904) 1.557 2.569 ( 2.767 -0.319 1.343) 3.092 2.618 ( 0.364 2.258 0.192) 2.295 3.340 ( -12.040 -6.200 0.740) 13.563 3.785 ( 6.443 3.276 -1.048) 7.303 6.196 ( -4.406 0.337 -0.354) 4.433 6.233 ( -1.533 -1.135 0.926) 2.120 6.432 ( 4.980 1.311 -1.379) 5.331 6.951 ( -2.979 -6.940 -0.054) 7.552 7.048 ( -1.540 1.607 0.214) 2.236 7.944 ( 3.548 3.181 -0.125) 4.766 ======================= Grid point 582 (220/344) ======================= q-point: ( 0.53 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.905 ( 0.000 2.031 -2.646) 3.336 2.009 ( 0.000 1.411 -7.915) 8.040 2.420 ( -0.000 6.659 1.650) 6.861 2.566 ( -0.000 3.827 1.095) 3.980 2.933 ( -0.000 -4.593 4.815) 6.655 4.008 ( -0.000 10.811 0.745) 10.836 5.872 ( -0.000 4.426 0.239) 4.432 6.180 ( 0.000 4.450 -2.502) 5.105 6.342 ( -0.000 2.450 -0.150) 2.455 6.704 ( -0.000 -5.874 2.663) 6.449 7.154 ( 0.000 -6.301 -2.060) 6.629 8.272 ( 0.000 -0.083 -1.564) 1.566 ======================= Grid point 583 (221/344) ======================= q-point: ( 0.60 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( 6.616 3.157 0.226) 7.334 2.045 ( 4.176 1.433 -4.368) 6.210 2.524 ( 5.790 4.610 0.214) 7.405 2.599 ( -0.053 2.321 1.192) 2.610 2.891 ( -0.984 -4.878 3.920) 6.335 4.075 ( -2.199 6.703 -1.173) 7.151 5.959 ( 5.812 2.942 0.083) 6.515 6.201 ( -2.114 5.182 -1.688) 5.846 6.385 ( 1.974 2.274 -0.309) 3.027 6.662 ( 1.226 -6.080 2.235) 6.593 7.096 ( -0.557 -3.582 -1.699) 4.003 8.238 ( -3.599 0.213 -0.819) 3.697 ======================= Grid point 584 (222/344) ======================= q-point: ( 0.67 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( 7.325 -0.535 -3.067) 7.959 2.160 ( 7.333 5.429 3.082) 9.630 2.610 ( -0.135 0.402 0.377) 0.567 2.695 ( 7.703 3.046 -1.354) 8.393 2.848 ( 2.353 -4.660 4.037) 6.600 4.055 ( -5.094 2.869 -2.195) 6.245 6.095 ( 6.908 1.333 -0.193) 7.038 6.209 ( -1.733 3.988 -0.454) 4.372 6.429 ( 0.715 1.492 -0.013) 1.655 6.666 ( 5.625 -3.956 0.949) 6.942 7.060 ( -0.571 -1.030 -0.781) 1.413 8.156 ( -6.187 0.311 -0.284) 6.202 ======================= Grid point 585 (223/344) ======================= q-point: (-0.27 -0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( 6.680 -1.007 -1.056) 6.837 2.321 ( 5.631 2.979 1.547) 6.555 2.602 ( -0.386 -1.146 -0.244) 1.234 2.697 ( -4.065 -1.198 -0.861) 4.324 3.031 ( 17.168 -1.195 2.266) 17.358 3.955 ( -7.951 0.872 -1.624) 8.162 6.189 ( 3.839 0.020 -0.700) 3.902 6.211 ( -0.469 -0.119 0.418) 0.640 6.434 ( -1.861 1.880 0.841) 2.776 6.791 ( 10.897 -0.524 -0.106) 10.910 7.049 ( -0.461 0.238 0.031) 0.520 8.044 ( -7.181 0.286 -0.029) 7.187 ======================= Grid point 586 (224/344) ======================= q-point: (-0.20 -0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.314 ( 5.010 -3.796 -0.131) 6.286 2.404 ( 2.603 -1.164 0.248) 2.862 2.577 ( -1.491 0.603 -1.255) 2.040 2.622 ( -2.865 0.020 -0.381) 2.891 3.292 ( 15.442 -5.913 0.630) 16.548 3.819 ( -9.053 2.889 0.075) 9.504 6.197 ( 1.206 -3.499 0.439) 3.728 6.233 ( 2.329 -1.025 -1.110) 2.776 6.422 ( -3.187 4.222 1.696) 5.555 6.963 ( 8.660 -0.255 -0.300) 8.669 7.033 ( -1.581 -1.107 0.208) 1.942 7.945 ( -4.744 1.593 0.095) 5.005 ======================= Grid point 598 (225/344) ======================= q-point: ( 0.60 0.60 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( -0.000 1.978 0.601) 2.067 2.039 ( -0.000 4.370 1.113) 4.510 2.504 ( 0.000 1.616 -0.425) 1.671 2.619 ( -0.000 0.864 0.963) 1.293 2.864 ( -0.000 -4.353 2.400) 4.971 4.136 ( 0.000 3.049 -2.615) 4.017 5.926 ( -0.000 1.247 -0.027) 1.247 6.274 ( -0.000 5.758 -0.670) 5.796 6.382 ( -0.000 1.288 -0.057) 1.289 6.598 ( -0.000 -5.892 1.168) 6.006 7.074 ( 0.000 -1.015 -1.307) 1.655 8.269 ( 0.000 0.285 -0.397) 0.489 ======================= Grid point 599 (226/344) ======================= q-point: (-0.33 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.008 ( 5.336 0.694 0.513) 5.406 2.136 ( 4.077 6.430 5.164) 9.199 2.558 ( 6.098 -0.787 -1.407) 6.308 2.622 ( 0.377 -0.474 0.949) 1.126 2.820 ( -1.211 -3.746 1.157) 4.103 4.119 ( -2.198 -0.714 -3.500) 4.194 5.984 ( 5.838 -0.252 -0.242) 5.849 6.285 ( -3.095 2.358 0.626) 3.941 6.419 ( 2.318 0.938 0.499) 2.550 6.570 ( 2.109 -2.354 -0.268) 3.172 7.067 ( -0.515 1.132 -0.660) 1.408 8.242 ( -3.523 0.409 -0.120) 3.549 ======================= Grid point 600 (227/344) ======================= q-point: (-0.27 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( 6.227 -1.417 0.032) 6.386 2.283 ( 4.209 4.247 4.336) 7.386 2.586 ( 0.321 -2.759 -1.395) 3.108 2.720 ( 5.208 1.703 -1.893) 5.797 2.778 ( 5.490 -4.890 3.242) 8.035 4.038 ( -3.802 -3.021 -2.926) 5.669 6.080 ( 6.329 -2.627 -0.848) 6.905 6.240 ( -2.442 -1.498 0.840) 2.986 6.459 ( 1.589 0.545 1.327) 2.141 6.643 ( 6.356 2.726 -0.069) 6.916 7.071 ( -0.960 2.245 -0.274) 2.457 8.163 ( -6.240 0.484 -0.022) 6.259 ======================= Grid point 601 (228/344) ======================= q-point: (-0.20 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.173 ( 5.356 -5.072 -0.710) 7.410 2.365 ( 2.308 -0.214 2.218) 3.208 2.563 ( 0.940 -1.935 -1.373) 2.552 2.681 ( -3.458 -0.157 -1.858) 3.928 2.988 ( 15.226 -3.608 2.257) 15.809 3.932 ( -4.371 -2.822 -1.109) 5.320 6.116 ( 3.003 -5.125 -1.180) 6.056 6.200 ( 0.182 -2.685 0.506) 2.738 6.494 ( 0.146 2.282 2.178) 3.158 6.809 ( 9.048 2.815 0.582) 9.494 7.067 ( -2.153 1.807 -0.446) 2.846 8.058 ( -6.594 1.238 0.085) 6.710 ======================= Grid point 614 (229/344) ======================= q-point: (-0.33 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( -0.000 1.623 2.738) 3.183 2.188 ( -0.000 7.507 7.825) 10.844 2.476 ( 0.000 -3.858 -1.825) 4.267 2.611 ( -0.000 -1.731 0.692) 1.864 2.802 ( 0.000 -2.616 -0.583) 2.680 4.096 ( 0.000 -5.012 -4.524) 6.752 5.923 ( 0.000 -1.537 -0.164) 1.545 6.330 ( -0.000 -2.813 1.745) 3.310 6.382 ( 0.000 -1.163 -0.027) 1.164 6.561 ( -0.000 4.470 -0.498) 4.497 7.092 ( 0.000 3.133 -0.456) 3.166 8.276 ( 0.000 0.644 -0.108) 0.653 ======================= Grid point 615 (230/344) ======================= q-point: (-0.27 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( 2.553 0.166 2.274) 3.423 2.289 ( 1.432 3.495 5.730) 6.863 2.480 ( 5.946 -5.959 -2.144) 8.687 2.617 ( 2.777 0.287 3.600) 4.555 2.766 ( -1.394 -1.456 -2.078) 2.895 4.009 ( -0.741 -8.315 -4.256) 9.371 5.946 ( 5.048 -3.506 -0.476) 6.164 6.258 ( -2.684 -4.684 0.690) 5.442 6.400 ( 3.230 -2.396 0.185) 4.026 6.642 ( 1.720 8.189 1.573) 8.514 7.120 ( -0.963 4.468 -0.521) 4.600 8.253 ( -3.631 0.894 -0.247) 3.748 ======================= Grid point 616 (231/344) ======================= q-point: (-0.20 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.060 ( 2.481 -4.061 -0.013) 4.759 2.324 ( 1.919 -3.086 1.995) 4.145 2.490 ( 3.787 -5.644 -2.231) 7.154 2.698 ( 0.056 -4.267 1.093) 4.405 2.790 ( 7.540 5.954 2.322) 9.884 3.902 ( -0.095 -9.559 -2.666) 9.924 5.989 ( 5.161 -6.036 -1.247) 8.039 6.178 ( -1.537 -4.329 0.562) 4.628 6.449 ( 4.784 -1.881 0.631) 5.179 6.772 ( 3.281 8.433 3.242) 9.612 7.136 ( -2.428 4.801 -1.079) 5.487 8.178 ( -6.100 1.351 -0.256) 6.253 ======================= Grid point 630 (232/344) ======================= q-point: (-0.27 -0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.024 ( -0.000 0.472 2.468) 2.513 2.312 ( -0.000 -2.236 2.601) 3.430 2.340 ( 0.000 -8.693 -1.782) 8.874 2.627 ( -0.000 2.993 7.702) 8.263 2.763 ( 0.000 0.951 -3.590) 3.713 3.894 ( 0.000 -13.110 -4.509) 13.864 5.862 ( 0.000 -4.760 -0.200) 4.764 6.232 ( 0.000 -5.653 -0.338) 5.663 6.346 ( 0.000 -2.211 0.020) 2.211 6.723 ( -0.000 9.398 3.465) 10.016 7.179 ( -0.000 6.154 -0.840) 6.211 8.294 ( 0.000 1.487 -0.718) 1.651 ======================= Grid point 631 (233/344) ======================= q-point: (-0.20 -0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( -0.956 -3.809 -0.852) 4.019 2.243 ( 1.174 -8.577 -0.391) 8.665 2.325 ( 5.840 -8.142 -1.243) 10.097 2.665 ( 0.064 -2.853 4.584) 5.400 2.816 ( 1.591 10.078 1.895) 10.377 3.751 ( 1.661 -16.095 -3.389) 16.532 5.843 ( 3.889 -6.849 -0.455) 7.889 6.166 ( -1.552 -3.896 -0.453) 4.218 6.356 ( 3.369 -1.994 -0.053) 3.915 6.835 ( 1.299 8.876 5.191) 10.364 7.227 ( -1.744 7.133 -1.495) 7.494 8.276 ( -3.690 2.072 -1.071) 4.365 ======================= Grid point 646 (234/344) ======================= q-point: (-0.20 -0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( 0.000 -8.268 -5.271) 9.805 2.136 ( 0.000 -13.116 -5.370) 14.173 2.182 ( -0.000 -5.503 4.686) 7.228 2.640 ( -0.000 -4.811 2.008) 5.214 2.926 ( -0.000 12.582 5.300) 13.652 3.543 ( 0.000 -20.989 -2.551) 21.144 5.739 ( 0.000 -7.770 0.061) 7.770 6.148 ( 0.000 -2.101 -1.122) 2.382 6.312 ( 0.000 -1.081 -0.090) 1.084 6.922 ( -0.000 7.561 6.600) 10.037 7.314 ( 0.000 8.721 -1.880) 8.921 8.327 ( 0.000 2.825 -2.017) 3.472 ======================= Grid point 727 (235/344) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.617 ( -0.000 -0.000 21.831) 21.831 0.617 ( -0.000 -0.000 21.831) 21.831 1.080 ( -0.000 -0.000 39.174) 39.174 2.072 ( 0.000 0.000 -5.331) 5.331 2.072 ( 0.000 0.000 -5.331) 5.331 3.903 ( 0.000 0.000 -14.529) 14.529 5.184 ( 0.000 -0.000 -0.087) 0.087 5.184 ( 0.000 -0.000 -0.087) 0.087 6.441 ( -0.000 -0.000 0.164) 0.164 6.441 ( -0.000 -0.000 0.164) 0.164 8.236 ( -0.000 -0.000 3.380) 3.380 8.572 ( 0.000 0.000 -1.497) 1.497 ======================= Grid point 728 (236/344) ======================= q-point: ( 0.27 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.665 ( 4.928 2.845 18.008) 18.886 0.846 ( 6.338 3.659 23.207) 24.334 1.436 ( 20.713 11.959 25.075) 34.652 2.077 ( 3.460 1.997 -5.608) 6.886 2.095 ( 2.013 1.162 -4.720) 5.261 3.594 ( -9.987 -5.766 -6.398) 13.188 5.221 ( 2.822 1.629 0.016) 3.259 5.999 ( 42.518 24.548 -28.482) 56.759 6.417 ( -2.482 -1.433 -0.004) 2.866 6.420 ( -1.649 -0.952 0.111) 1.907 8.201 ( -4.503 -2.600 4.055) 6.595 8.497 ( -5.137 -2.966 -1.405) 6.096 ======================= Grid point 729 (237/344) ======================= q-point: ( 0.33 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( 11.455 6.614 10.926) 17.156 1.050 ( 6.799 3.926 18.684) 20.266 1.974 ( 19.946 11.516 -0.573) 23.039 2.133 ( 2.602 1.502 -3.920) 4.938 2.221 ( 11.769 6.795 6.757) 15.177 3.451 ( -2.320 -1.340 -6.686) 7.203 5.309 ( 5.057 2.920 0.048) 5.840 6.329 ( -4.778 -2.758 -0.646) 5.554 6.374 ( -2.374 -1.370 0.070) 2.742 6.628 ( 22.331 12.893 -19.383) 32.259 8.058 ( -9.354 -5.400 5.762) 12.241 8.365 ( -5.791 -3.343 -4.198) 7.895 ======================= Grid point 730 (238/344) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( 13.190 7.615 5.747) 16.279 1.263 ( 8.774 5.065 9.291) 13.746 2.188 ( 3.190 1.842 -2.874) 4.672 2.245 ( 9.936 5.737 -10.662) 15.663 2.644 ( 18.544 10.707 10.400) 23.805 3.437 ( 2.473 1.428 -2.758) 3.970 5.442 ( 6.862 3.962 0.094) 7.924 6.210 ( -5.373 -3.102 -0.579) 6.232 6.323 ( -2.018 -1.165 0.013) 2.330 6.948 ( 11.055 6.382 -10.818) 16.732 7.830 ( -12.579 -7.263 5.466) 15.520 8.230 ( -4.590 -2.650 -4.954) 7.255 ======================= Grid point 731 (239/344) ======================= q-point: ( 0.47 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( 10.494 6.059 1.996) 12.281 1.499 ( 11.974 6.913 2.124) 13.989 2.258 ( 3.771 2.177 -1.517) 4.611 2.417 ( 7.849 4.532 -6.231) 10.999 2.978 ( 9.006 5.200 2.376) 10.667 3.555 ( 7.953 4.592 2.708) 9.574 5.605 ( 7.476 4.316 0.199) 8.635 6.107 ( -3.288 -1.899 -0.458) 3.825 6.292 ( -0.634 -0.366 -0.069) 0.735 7.068 ( 2.525 1.458 -7.864) 8.387 7.538 ( -14.530 -8.389 3.524) 17.144 8.159 ( -0.645 -0.373 -2.239) 2.360 ======================= Grid point 732 (240/344) ======================= q-point: ( 0.53 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( 10.923 6.306 -2.183) 12.800 1.737 ( 9.013 5.204 -0.545) 10.422 2.344 ( 4.005 2.312 0.038) 4.624 2.552 ( 5.470 3.158 -3.596) 7.268 3.076 ( 0.332 0.191 0.508) 0.636 3.761 ( 8.508 4.912 3.984) 10.602 5.761 ( 6.200 3.579 0.286) 7.165 6.076 ( 0.777 0.449 -0.438) 0.999 6.299 ( 1.233 0.712 -0.115) 1.428 7.033 ( -3.523 -2.034 -7.848) 8.840 7.235 ( -12.484 -7.208 3.624) 14.864 8.176 ( 1.999 1.154 0.056) 2.309 ======================= Grid point 733 (241/344) ======================= q-point: ( 0.60 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( 5.793 3.345 -2.211) 7.045 1.959 ( 10.200 5.889 -4.868) 12.745 2.427 ( 2.988 1.725 1.298) 3.686 2.634 ( 2.647 1.528 -2.434) 3.908 3.028 ( -4.153 -2.398 0.095) 4.796 3.928 ( 5.210 3.008 4.555) 7.545 5.872 ( 3.589 2.072 0.253) 4.152 6.140 ( 5.062 2.923 -0.664) 5.883 6.340 ( 2.205 1.273 -0.055) 2.546 6.847 ( -10.459 -6.039 -3.705) 12.633 7.072 ( -3.452 -1.993 1.495) 4.258 8.225 ( 1.976 1.141 0.517) 2.339 ======================= Grid point 734 (242/344) ======================= q-point: ( 0.67 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( 3.318 1.915 -2.798) 4.744 2.156 ( 8.965 5.176 -6.486) 12.216 2.471 ( 0.267 0.154 1.892) 1.917 2.654 ( -0.203 -0.117 -1.526) 1.544 2.917 ( -5.133 -2.964 -1.127) 6.034 4.015 ( 1.191 0.687 5.576) 5.743 5.923 ( 1.036 0.598 0.162) 1.207 6.284 ( 7.512 4.337 -1.322) 8.775 6.380 ( 1.102 0.636 0.037) 1.273 6.617 ( -8.838 -5.103 -0.093) 10.206 7.042 ( 0.149 0.086 0.697) 0.718 8.259 ( 0.896 0.517 0.284) 1.073 ======================= Grid point 735 (243/344) ======================= q-point: (-0.27 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( 1.453 0.839 -2.445) 2.965 2.308 ( 5.393 3.114 -4.664) 7.781 2.442 ( -3.450 -1.992 1.788) 4.367 2.637 ( 0.221 0.128 -2.181) 2.196 2.811 ( -3.936 -2.273 -1.768) 4.877 4.004 ( -3.979 -2.297 5.413) 7.100 5.920 ( -1.357 -0.783 0.116) 1.571 6.349 ( -4.448 -2.568 -0.327) 5.147 6.381 ( -0.975 -0.563 0.058) 1.128 6.563 ( 6.759 3.902 -0.817) 7.847 7.077 ( 2.704 1.561 1.131) 3.320 8.271 ( 0.275 0.159 0.476) 0.572 ======================= Grid point 736 (244/344) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.038 ( -0.733 -0.423 -0.608) 1.042 2.312 ( -4.977 -2.874 2.446) 6.246 2.330 ( -6.635 -3.831 0.408) 7.673 2.708 ( 4.841 2.795 -10.308) 11.726 2.737 ( 0.151 0.087 2.506) 2.512 3.856 ( -10.747 -6.205 3.880) 13.003 5.861 ( -4.097 -2.365 0.078) 4.731 6.225 ( -5.215 -3.011 1.100) 6.121 6.346 ( -1.911 -1.103 0.042) 2.207 6.756 ( 9.384 5.418 -4.111) 11.590 7.168 ( 5.132 2.963 1.637) 6.148 8.284 ( 0.939 0.542 1.376) 1.752 ======================= Grid point 743 (245/344) ======================= q-point: ( 0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( -0.000 13.438 16.589) 21.349 0.948 ( -0.000 13.745 16.978) 21.845 1.465 ( -0.000 15.827 30.216) 34.110 2.007 ( 0.000 -1.254 -6.874) 6.987 2.123 ( 0.000 6.519 -5.214) 8.348 3.572 ( 0.000 -11.855 -7.971) 14.286 5.200 ( -0.000 2.342 -0.079) 2.344 5.922 ( 0.000 46.128 -23.880) 51.943 6.410 ( 0.000 -2.774 -0.194) 2.781 6.430 ( 0.000 -1.456 0.159) 1.464 8.209 ( -0.000 -5.632 4.102) 6.968 8.506 ( 0.000 -4.035 -2.022) 4.514 ======================= Grid point 744 (246/344) ======================= q-point: ( 0.33 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( -0.245 17.933 10.680) 20.874 1.136 ( 0.308 11.934 19.962) 23.259 1.826 ( 11.383 14.870 7.266) 20.087 2.059 ( 9.066 3.395 0.428) 9.690 2.186 ( 1.694 7.541 -2.918) 8.262 3.437 ( -1.813 -4.808 -7.912) 9.434 5.265 ( 3.708 3.635 0.022) 5.193 6.335 ( 2.215 1.432 -4.399) 5.129 6.398 ( -1.339 -1.143 -0.127) 1.765 6.418 ( 11.656 19.418 -15.823) 27.628 8.116 ( -4.181 -9.042 5.103) 11.193 8.420 ( -4.796 -2.903 -3.819) 6.783 ======================= Grid point 745 (247/344) ======================= q-point: ( 0.40 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( 3.982 17.803 6.096) 19.235 1.302 ( 0.254 11.108 16.242) 19.679 2.043 ( 9.563 2.635 -8.511) 13.070 2.230 ( 1.890 9.489 -8.091) 12.612 2.487 ( 17.493 12.568 12.704) 25.007 3.391 ( 1.946 -0.698 -5.053) 5.460 5.386 ( 5.452 5.405 0.107) 7.678 6.249 ( -4.024 -4.766 -0.515) 6.259 6.352 ( -2.129 -0.975 0.034) 2.342 6.783 ( 13.200 11.150 -12.138) 21.116 7.935 ( -7.955 -10.525 5.515) 14.299 8.284 ( -6.275 -2.197 -5.153) 8.412 ======================= Grid point 746 (248/344) ======================= q-point: ( 0.47 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( 4.338 10.611 5.049) 12.526 1.480 ( 4.636 15.899 6.660) 17.850 2.193 ( 7.154 2.753 -3.896) 8.598 2.342 ( 4.757 7.624 -6.960) 11.366 2.874 ( 11.951 8.179 3.927) 15.005 3.469 ( 7.105 3.071 0.343) 7.748 5.546 ( 6.345 6.898 0.244) 9.376 6.137 ( -3.683 -3.800 -0.368) 5.305 6.316 ( -1.693 0.425 -0.107) 1.749 6.985 ( 6.551 2.708 -8.119) 10.778 7.684 ( -11.678 -10.235 3.967) 16.027 8.169 ( -3.077 -1.458 -3.216) 4.684 ======================= Grid point 747 (249/344) ======================= q-point: ( 0.53 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( 5.921 9.417 3.711) 11.727 1.718 ( 5.042 13.498 0.282) 14.412 2.314 ( 4.275 4.972 -1.485) 6.723 2.480 ( 5.878 4.707 -4.125) 8.586 3.050 ( 3.767 1.636 -0.081) 4.108 3.664 ( 9.634 4.904 2.854) 11.181 5.720 ( 5.628 7.514 0.418) 9.397 6.069 ( -0.821 -1.716 -0.183) 1.911 6.308 ( -0.508 2.028 -0.230) 2.103 7.018 ( 0.276 -1.804 -7.382) 7.604 7.389 ( -13.208 -8.496 2.797) 15.951 8.143 ( 1.569 -0.985 -0.259) 1.870 ======================= Grid point 748 (250/344) ======================= q-point: ( 0.60 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( 5.293 7.526 1.693) 9.356 1.908 ( 4.599 11.116 -3.294) 12.473 2.424 ( 2.562 6.072 0.291) 6.597 2.589 ( 4.029 2.521 -2.649) 5.442 3.059 ( -1.912 -1.808 -0.561) 2.691 3.860 ( 7.647 3.050 3.277) 8.861 5.866 ( 3.001 7.116 0.510) 7.739 6.084 ( 3.358 0.632 -0.219) 3.424 6.336 ( 0.842 3.010 -0.231) 3.135 6.924 ( -5.952 -4.286 -6.447) 9.765 7.143 ( -8.214 -4.531 3.039) 9.860 8.179 ( 3.393 -1.389 0.749) 3.741 ======================= Grid point 749 (251/344) ======================= q-point: ( 0.67 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( 1.991 5.716 -0.718) 6.095 2.081 ( 5.847 8.953 -5.023) 11.814 2.506 ( -0.161 5.588 1.528) 5.796 2.643 ( 1.331 0.866 -1.942) 2.509 2.969 ( -4.989 -3.116 -1.497) 6.070 3.991 ( 4.414 0.603 4.585) 6.393 5.954 ( -0.277 6.103 0.413) 6.124 6.184 ( 6.793 1.871 -0.538) 7.066 6.384 ( 1.184 3.087 -0.176) 3.311 6.726 ( -9.526 -4.339 -2.092) 10.675 7.051 ( -1.585 -0.997 1.179) 2.213 8.219 ( 2.986 -2.158 0.477) 3.715 ======================= Grid point 750 (252/344) ======================= q-point: (-0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.031 ( 0.169 3.962 -1.914) 4.403 2.237 ( 5.611 6.469 -5.748) 10.314 2.525 ( -3.906 3.790 2.206) 5.873 2.645 ( -0.891 0.693 -1.524) 1.897 2.849 ( -4.634 -2.993 -2.014) 5.872 4.038 ( -0.177 -1.703 5.268) 5.539 5.978 ( -3.054 4.602 0.313) 5.532 6.298 ( 4.415 -1.593 -0.787) 4.759 6.431 ( 0.211 3.455 -0.896) 3.575 6.563 ( -4.437 0.270 0.491) 4.473 7.053 ( 1.512 0.523 0.837) 1.805 8.238 ( 2.195 -2.741 0.239) 3.520 ======================= Grid point 751 (253/344) ======================= q-point: (-0.20 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( -0.973 1.573 -1.746) 2.543 2.327 ( 0.638 0.993 -2.732) 2.977 2.460 ( -7.680 1.558 2.412) 8.199 2.656 ( 1.608 4.991 -5.016) 7.256 2.756 ( -2.574 -2.771 -0.119) 3.784 3.970 ( -6.733 -4.153 4.506) 9.104 5.942 ( -5.487 2.364 0.376) 5.986 6.261 ( -3.142 -4.780 0.048) 5.720 6.400 ( -3.942 1.627 0.076) 4.265 6.660 ( 7.559 6.428 -2.407) 10.210 7.113 ( 4.217 1.336 1.105) 4.559 8.249 ( 2.358 -2.744 0.622) 3.671 ======================= Grid point 759 (254/344) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( -0.000 18.479 9.955) 20.990 1.313 ( -0.000 15.251 10.664) 18.609 1.948 ( 0.000 -0.510 -6.648) 6.667 1.987 ( -0.000 23.215 15.532) 27.932 2.240 ( 0.000 7.930 -3.725) 8.761 3.378 ( 0.000 -4.423 -7.271) 8.511 5.275 ( -0.000 5.431 0.215) 5.435 6.315 ( 0.000 -3.128 -0.594) 3.184 6.391 ( 0.000 -2.488 -0.012) 2.488 6.481 ( 0.000 22.599 -15.342) 27.314 8.062 ( -0.000 -11.900 4.832) 12.843 8.424 ( 0.000 -2.433 -4.895) 5.466 ======================= Grid point 760 (255/344) ======================= q-point: ( 0.40 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( -1.199 17.698 3.665) 18.113 1.504 ( -0.222 15.356 13.921) 20.728 1.935 ( 3.094 2.737 -7.398) 8.474 2.269 ( 1.849 10.740 -11.483) 15.831 2.413 ( 11.194 16.291 14.755) 24.666 3.339 ( 1.214 -1.110 -4.186) 4.498 5.368 ( 3.636 6.870 0.382) 7.782 6.252 ( -2.285 -5.049 -0.236) 5.547 6.362 ( -0.630 -1.971 -0.114) 2.072 6.696 ( 7.174 13.717 -10.123) 18.496 7.926 ( -3.246 -13.156 4.651) 14.326 8.346 ( -4.648 -1.886 -5.774) 7.649 ======================= Grid point 761 (256/344) ======================= q-point: ( 0.47 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( 1.323 13.940 -0.457) 14.010 1.671 ( -2.190 16.794 13.337) 21.558 2.066 ( 9.518 4.544 -5.746) 12.011 2.345 ( 1.936 7.403 -8.441) 11.393 2.785 ( 10.712 11.769 4.614) 16.569 3.393 ( 5.212 3.195 0.719) 6.156 5.522 ( 5.617 8.453 0.549) 10.164 6.155 ( -3.343 -4.366 -0.366) 5.511 6.339 ( -0.641 -0.247 -0.351) 0.771 6.880 ( 6.668 4.336 -6.316) 10.156 7.735 ( -6.219 -12.702 3.922) 14.677 8.220 ( -5.765 -1.405 -4.941) 7.721 ======================= Grid point 762 (257/344) ======================= q-point: ( 0.53 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( 3.164 11.362 0.548) 11.807 1.841 ( -0.526 16.050 7.229) 17.611 2.262 ( 8.243 6.583 -2.848) 10.927 2.438 ( 3.771 5.875 -4.928) 8.545 2.992 ( 5.349 3.310 -0.686) 6.328 3.569 ( 8.490 6.135 2.857) 10.857 5.710 ( 5.897 9.616 0.747) 11.305 6.072 ( -2.107 -2.584 -0.225) 3.342 6.337 ( -0.316 1.900 -0.617) 2.023 6.955 ( 2.785 -1.330 -5.424) 6.241 7.501 ( -9.411 -10.500 2.544) 14.328 8.126 ( -2.052 -1.540 -2.038) 3.276 ======================= Grid point 763 (258/344) ======================= q-point: ( 0.60 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.869 ( 4.028 10.210 1.984) 11.153 1.989 ( -0.106 12.881 1.612) 12.982 2.439 ( 4.730 8.593 -0.558) 9.825 2.542 ( 4.013 3.939 -2.651) 6.217 3.051 ( 1.045 -0.724 -1.275) 1.801 3.766 ( 7.835 3.822 2.010) 8.946 5.893 ( 4.182 9.687 0.977) 10.596 6.047 ( 1.099 -0.306 -0.133) 1.148 6.360 ( 0.165 3.326 -0.733) 3.410 6.928 ( -1.298 -3.027 -5.441) 6.360 7.255 ( -9.877 -6.894 2.180) 12.240 8.108 ( 2.152 -2.648 0.171) 3.417 ======================= Grid point 764 (259/344) ======================= q-point: ( 0.67 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( 1.801 8.497 2.560) 9.055 2.104 ( 1.237 10.486 -2.648) 10.886 2.569 ( 1.342 6.577 1.025) 6.790 2.624 ( 2.219 3.696 -1.616) 4.604 3.014 ( -3.466 -1.210 -2.335) 4.351 3.910 ( 6.482 0.191 2.689) 7.020 6.026 ( 0.938 7.981 1.066) 8.106 6.105 ( 4.581 2.171 -0.315) 5.079 6.396 ( 0.682 3.001 -0.625) 3.140 6.823 ( -6.491 -2.254 -3.706) 7.807 7.089 ( -4.613 -2.640 1.807) 5.614 8.130 ( 3.766 -3.961 0.535) 5.492 ======================= Grid point 765 (260/344) ======================= q-point: ( 0.73 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( -1.688 6.799 0.882) 7.060 2.222 ( 2.981 8.046 -3.890) 9.421 2.606 ( -1.122 0.931 1.075) 1.811 2.679 ( -0.457 4.707 0.192) 4.733 2.917 ( -6.440 1.106 -3.617) 7.469 3.999 ( 4.062 -2.416 3.816) 6.074 6.087 ( -2.325 6.401 0.684) 6.844 6.209 ( 5.035 1.091 -0.434) 5.170 6.436 ( 1.587 1.964 -0.744) 2.632 6.681 ( -7.881 1.544 -0.684) 8.060 7.046 ( -0.218 -0.118 0.679) 0.723 8.151 ( 3.657 -4.891 0.221) 6.111 ======================= Grid point 766 (261/344) ======================= q-point: (-0.20 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( -3.493 4.272 -0.457) 5.537 2.318 ( 1.915 4.561 -3.609) 6.123 2.570 ( -3.442 -0.894 2.039) 4.099 2.706 ( -0.053 2.608 1.211) 2.876 2.812 ( -7.839 4.589 -4.374) 10.081 4.009 ( -0.888 -3.984 3.623) 5.458 6.072 ( -5.519 3.882 0.774) 6.792 6.246 ( 0.027 -2.892 -0.525) 2.940 6.470 ( -0.599 1.887 -1.112) 2.270 6.645 ( -0.035 7.247 -0.377) 7.257 7.068 ( 2.301 0.397 0.543) 2.398 8.162 ( 3.491 -5.130 0.170) 6.208 ======================= Grid point 775 (262/344) ======================= q-point: ( 0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( -0.000 16.458 3.580) 16.843 1.639 ( -0.000 13.957 1.275) 14.015 1.925 ( 0.000 1.520 -1.388) 2.058 2.311 ( 0.000 8.388 -13.427) 15.832 2.545 ( -0.000 20.561 13.233) 24.451 3.319 ( 0.000 1.270 -0.572) 1.392 5.410 ( -0.000 8.134 0.589) 8.156 6.225 ( 0.000 -4.711 -0.264) 4.719 6.342 ( 0.000 -2.371 -0.256) 2.384 6.736 ( 0.000 10.308 -6.314) 12.088 7.830 ( -0.000 -14.338 3.637) 14.793 8.352 ( 0.000 -1.594 -6.269) 6.468 ======================= Grid point 776 (263/344) ======================= q-point: ( 0.47 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( -2.408 11.946 -4.179) 12.883 1.861 ( 4.974 14.801 5.347) 16.505 1.967 ( 3.004 4.296 -1.199) 5.377 2.355 ( 1.365 6.165 -10.154) 11.957 2.799 ( 4.355 14.376 5.550) 16.014 3.377 ( 2.588 6.232 3.765) 7.727 5.528 ( 3.835 9.141 0.720) 9.939 6.161 ( -2.228 -3.830 -0.635) 4.476 6.328 ( 0.708 -1.213 -0.449) 1.475 6.824 ( 3.180 4.027 -3.154) 6.024 7.682 ( -2.241 -14.110 2.713) 14.542 8.282 ( -4.301 -1.077 -5.807) 7.306 ======================= Grid point 777 (264/344) ======================= q-point: ( 0.53 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( 1.784 10.046 -3.569) 10.809 2.027 ( -1.348 11.150 6.873) 13.168 2.160 ( 11.216 9.357 -3.290) 14.972 2.423 ( 2.842 5.469 -5.734) 8.418 2.957 ( 2.839 4.475 0.775) 5.356 3.539 ( 5.030 9.782 4.345) 11.826 5.708 ( 6.015 9.998 0.824) 11.697 6.087 ( -2.573 -2.211 -0.693) 3.462 6.341 ( 1.234 0.870 -0.824) 1.720 6.883 ( 2.821 -1.121 -2.060) 3.669 7.506 ( -4.154 -12.523 1.825) 13.319 8.173 ( -5.344 -0.702 -3.918) 6.663 ======================= Grid point 778 (265/344) ======================= q-point: ( 0.60 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( 4.240 9.824 -0.628) 10.718 2.120 ( -0.427 8.755 2.549) 9.129 2.421 ( 7.958 10.562 0.377) 13.230 2.515 ( 3.765 5.056 -3.232) 7.085 3.012 ( 2.107 -0.342 -0.120) 2.138 3.714 ( 4.428 6.867 1.750) 8.356 5.909 ( 5.781 10.021 0.983) 11.611 6.042 ( -0.891 -0.118 -0.483) 1.020 6.376 ( 1.170 2.517 -1.137) 3.000 6.888 ( 1.162 -2.759 -2.320) 3.787 7.319 ( -5.989 -9.395 1.175) 11.204 8.086 ( -2.627 -1.500 -1.416) 3.339 ======================= Grid point 779 (266/344) ======================= q-point: ( 0.67 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( 3.796 9.062 0.913) 9.867 2.198 ( -0.424 7.993 0.665) 8.032 2.570 ( 2.659 2.816 0.040) 3.873 2.646 ( 3.154 8.203 -0.093) 8.789 3.036 ( 0.760 1.447 -1.520) 2.232 3.824 ( 4.026 1.190 0.849) 4.283 6.051 ( 1.757 2.372 0.526) 2.999 6.089 ( 3.746 8.007 0.283) 8.845 6.410 ( 0.406 1.904 -1.113) 2.243 6.866 ( -1.076 -0.276 -2.454) 2.694 7.150 ( -5.648 -5.119 1.159) 7.710 8.048 ( 0.913 -3.473 0.007) 3.591 ======================= Grid point 780 (267/344) ======================= q-point: ( 0.73 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.190 ( 0.659 7.540 1.432) 7.703 2.267 ( -0.013 7.507 -0.909) 7.562 2.611 ( 0.625 0.385 -0.386) 0.829 2.711 ( -0.164 -0.037 1.390) 1.400 3.060 ( -4.034 10.019 -3.258) 11.282 3.891 ( 5.340 -3.755 1.929) 6.807 6.122 ( 3.384 2.785 0.250) 4.390 6.197 ( 0.544 5.497 0.313) 5.532 6.420 ( 0.738 -0.516 -0.754) 1.174 6.827 ( -5.347 4.540 -1.142) 7.107 7.060 ( -1.753 -1.177 0.590) 2.192 8.040 ( 3.032 -5.356 0.195) 6.157 ======================= Grid point 781 (268/344) ======================= q-point: (-0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( -4.129 5.823 0.944) 7.201 2.335 ( 0.777 5.392 -1.745) 5.720 2.598 ( -1.367 -1.262 0.604) 1.956 2.689 ( 0.596 -3.733 0.938) 3.895 3.054 ( -9.557 13.361 -2.953) 16.690 3.939 ( 4.647 -5.697 2.175) 7.667 6.182 ( -2.311 3.170 0.705) 3.986 6.215 ( 0.480 -0.331 -0.435) 0.727 6.442 ( 3.136 -0.385 -1.002) 3.314 6.790 ( -6.010 8.913 0.137) 10.751 7.049 ( 0.353 -0.006 -0.042) 0.356 8.043 ( 3.891 -6.008 0.048) 7.158 ======================= Grid point 791 (269/344) ======================= q-point: ( 0.47 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( 0.000 5.819 -9.221) 10.904 1.850 ( 0.000 10.348 -6.079) 12.002 2.052 ( -0.000 9.131 7.295) 11.687 2.372 ( 0.000 5.859 -7.401) 9.440 2.910 ( -0.000 9.993 4.581) 10.993 3.456 ( -0.000 11.534 6.302) 13.143 5.584 ( -0.000 9.239 0.751) 9.269 6.147 ( 0.000 -2.581 -1.276) 2.879 6.305 ( 0.000 -1.022 -0.408) 1.101 6.823 ( 0.000 1.350 -0.242) 1.371 7.569 ( 0.000 -14.037 1.263) 14.094 8.294 ( 0.000 -0.665 -5.593) 5.632 ======================= Grid point 792 (270/344) ======================= q-point: ( 0.53 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( 0.179 6.649 -6.384) 9.219 2.000 ( 8.336 4.163 -9.192) 13.089 2.181 ( 2.269 11.687 5.946) 13.307 2.426 ( 1.342 5.881 -2.943) 6.712 2.983 ( -0.164 2.830 3.352) 4.390 3.616 ( 1.483 13.873 5.105) 14.857 5.712 ( 4.374 9.139 0.694) 10.155 6.107 ( -1.961 -0.921 -1.600) 2.693 6.316 ( 1.780 0.416 -0.610) 1.927 6.834 ( 1.178 -1.898 1.253) 2.561 7.429 ( -1.323 -12.757 0.167) 12.827 8.240 ( -3.929 -0.116 -4.349) 5.862 ======================= Grid point 793 (271/344) ======================= q-point: ( 0.60 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.908 ( 4.586 7.801 -2.319) 9.342 2.126 ( 5.991 2.348 -5.338) 8.361 2.400 ( 7.909 12.035 2.289) 14.582 2.502 ( 2.071 4.775 -0.923) 5.286 2.992 ( -0.118 -1.394 3.029) 3.337 3.767 ( 0.418 10.793 1.816) 10.953 5.898 ( 6.694 8.826 0.621) 11.095 6.068 ( -1.912 1.002 -1.361) 2.552 6.362 ( 2.421 1.816 -0.970) 3.178 6.832 ( 1.493 -3.548 1.309) 4.066 7.287 ( -2.153 -10.437 -0.329) 10.662 8.148 ( -5.467 0.089 -2.479) 6.003 ======================= Grid point 794 (272/344) ======================= q-point: ( 0.67 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( 5.462 7.919 -0.033) 9.619 2.226 ( 4.151 3.420 -2.002) 5.739 2.563 ( 1.515 3.097 0.892) 3.561 2.648 ( 6.374 8.345 -0.533) 10.514 3.001 ( 3.333 -0.744 2.301) 4.118 3.836 ( -1.666 5.182 -0.407) 5.459 6.059 ( 0.427 2.817 -0.282) 2.863 6.091 ( 5.034 7.393 0.097) 8.945 6.409 ( 1.163 1.312 -1.045) 2.041 6.840 ( 2.649 -1.585 0.498) 3.127 7.161 ( -2.558 -7.006 -0.154) 7.460 8.056 ( -4.416 -0.871 -0.862) 4.583 ======================= Grid point 795 (273/344) ======================= q-point: ( 0.73 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.220 ( 3.731 6.557 0.175) 7.547 2.319 ( 2.379 4.905 -0.169) 5.454 2.603 ( 0.829 1.034 0.097) 1.329 2.712 ( -1.421 -2.080 0.427) 2.555 3.147 ( 6.715 9.738 0.049) 11.829 3.820 ( -1.557 -1.603 -0.238) 2.247 6.105 ( 1.919 3.543 -0.148) 4.032 6.223 ( 2.819 4.884 0.364) 5.651 6.407 ( -0.869 -1.491 -0.601) 1.828 6.896 ( 2.339 3.519 -0.305) 4.237 7.075 ( -1.806 -2.901 0.227) 3.425 7.983 ( -1.843 -2.995 -0.093) 3.518 ======================= Grid point 796 (274/344) ======================= q-point: ( 0.80 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.314 ( 0.731 4.769 -0.139) 4.827 2.392 ( -0.276 5.841 0.598) 5.878 2.607 ( -1.336 -1.195 -0.048) 1.793 2.638 ( -0.253 -5.660 0.230) 5.670 3.314 ( -3.345 15.472 -1.357) 15.887 3.785 ( 4.149 -8.236 0.958) 9.272 6.179 ( 2.567 2.919 -0.005) 3.887 6.270 ( -2.183 2.533 0.139) 3.347 6.377 ( 1.743 -3.144 -0.355) 3.613 6.950 ( -2.225 6.790 0.289) 7.151 7.048 ( -0.171 -0.201 -0.353) 0.441 7.941 ( 1.322 -4.526 0.030) 4.715 ======================= Grid point 807 (275/344) ======================= q-point: ( 0.53 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( 0.000 3.735 -5.699) 6.814 1.927 ( 0.000 4.413 -11.101) 11.946 2.272 ( -0.000 9.143 3.940) 9.956 2.472 ( -0.000 6.146 0.055) 6.146 3.009 ( -0.000 -0.745 4.314) 4.378 3.762 ( -0.000 14.633 3.695) 15.092 5.756 ( -0.000 7.693 0.527) 7.711 6.119 ( 0.000 0.919 -2.327) 2.502 6.304 ( 0.000 1.147 -0.323) 1.192 6.807 ( -0.000 -3.477 3.221) 4.739 7.320 ( 0.000 -11.409 -1.312) 11.484 8.263 ( 0.000 0.250 -3.647) 3.656 ======================= Grid point 808 (276/344) ======================= q-point: ( 0.60 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.894 ( 3.765 5.502 -2.242) 7.034 1.996 ( 6.797 1.972 -8.724) 11.234 2.400 ( 4.559 8.383 2.056) 9.762 2.533 ( 0.420 4.943 1.226) 5.110 2.992 ( -0.902 -3.416 4.321) 5.581 3.892 ( -0.999 11.763 0.978) 11.846 5.869 ( 5.176 6.474 0.297) 8.294 6.113 ( -1.774 2.776 -2.116) 3.916 6.338 ( 2.078 2.122 -0.444) 3.003 6.781 ( 0.607 -4.945 3.597) 6.145 7.209 ( -0.663 -8.999 -1.928) 9.227 8.226 ( -3.675 0.596 -2.366) 4.411 ======================= Grid point 809 (277/344) ======================= q-point: ( 0.67 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( 6.082 6.886 0.425) 9.197 2.121 ( 8.626 0.957 -4.753) 9.895 2.579 ( 1.569 3.223 0.148) 3.588 2.596 ( 7.255 6.944 0.979) 10.090 2.953 ( 0.258 -4.484 4.316) 6.229 3.947 ( -3.562 7.396 -1.294) 8.311 6.035 ( 6.958 4.944 0.036) 8.536 6.114 ( -1.188 4.578 -1.276) 4.899 6.395 ( 1.956 1.956 -0.525) 2.816 6.765 ( 2.648 -4.890 2.706) 6.185 7.119 ( -0.823 -5.864 -1.518) 6.113 8.146 ( -5.841 0.597 -1.110) 5.976 ======================= Grid point 810 (278/344) ======================= q-point: ( 0.73 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( 5.469 4.839 -0.399) 7.313 2.266 ( 7.222 2.514 -0.782) 7.687 2.606 ( 0.149 0.906 0.616) 1.106 2.721 ( -0.366 -0.134 -0.839) 0.925 3.031 ( 11.890 1.467 3.425) 12.460 3.908 ( -6.530 3.161 -1.871) 7.492 6.125 ( 0.445 4.239 -0.442) 4.285 6.198 ( 4.524 3.124 -0.013) 5.497 6.417 ( -0.875 0.278 -0.091) 0.922 6.818 ( 7.226 -1.675 0.946) 7.478 7.065 ( -0.524 -2.466 -0.487) 2.568 8.043 ( -6.304 -0.177 -0.329) 6.315 ======================= Grid point 823 (279/344) ======================= q-point: ( 0.60 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.886 ( 0.000 3.380 -1.544) 3.716 1.953 ( 0.000 4.338 -4.848) 6.506 2.431 ( -0.000 5.745 0.963) 5.825 2.578 ( -0.000 3.827 1.611) 4.152 2.972 ( -0.000 -4.994 4.014) 6.407 4.007 ( -0.000 9.454 -0.896) 9.497 5.874 ( -0.000 4.301 0.125) 4.303 6.160 ( 0.000 4.716 -2.076) 5.153 6.341 ( -0.000 2.515 -0.122) 2.518 6.733 ( -0.000 -6.458 3.790) 7.488 7.134 ( 0.000 -6.180 -2.466) 6.654 8.258 ( 0.000 0.689 -1.627) 1.767 ======================= Grid point 824 (280/344) ======================= q-point: ( 0.67 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( 7.110 2.461 -0.715) 7.558 2.024 ( 3.659 5.911 0.140) 6.953 2.523 ( 5.409 3.896 -0.387) 6.677 2.611 ( 0.034 2.121 1.578) 2.644 2.923 ( -0.773 -5.626 3.447) 6.643 4.058 ( -2.205 5.797 -2.711) 6.769 5.959 ( 5.773 2.840 -0.111) 6.435 6.189 ( -1.944 5.804 -1.074) 6.214 6.383 ( 1.875 2.400 -0.118) 3.048 6.683 ( 1.101 -7.135 2.547) 7.656 7.080 ( -0.360 -3.088 -1.851) 3.618 8.231 ( -3.527 0.729 -0.809) 3.691 ======================= Grid point 825 (281/344) ======================= q-point: (-0.27 -0.40 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.110 ( 7.296 0.741 -1.990) 7.599 2.189 ( 6.439 6.243 3.617) 9.671 2.612 ( 0.331 -0.055 -0.131) 0.361 2.684 ( 6.229 2.452 -0.907) 6.755 2.883 ( 3.313 -5.073 3.972) 7.245 4.031 ( -4.736 2.606 -3.233) 6.299 6.092 ( 6.833 1.182 -0.490) 6.952 6.207 ( -1.610 4.584 -0.005) 4.858 6.431 ( 0.759 1.982 0.405) 2.160 6.674 ( 5.425 -4.966 0.884) 7.408 7.053 ( -0.279 -0.606 -0.802) 1.043 8.154 ( -6.130 0.550 -0.268) 6.161 ======================= Grid point 839 (282/344) ======================= q-point: (-0.33 -0.33 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( -0.000 2.877 1.567) 3.276 2.060 ( -0.000 7.289 3.721) 8.184 2.497 ( 0.000 1.044 -1.038) 1.472 2.629 ( -0.000 0.516 1.272) 1.373 2.885 ( -0.000 -5.452 2.275) 5.907 4.106 ( 0.000 2.361 -4.225) 4.839 5.925 ( -0.000 1.198 -0.091) 1.201 6.271 ( -0.000 6.965 0.058) 6.965 6.381 ( -0.000 1.298 -0.060) 1.299 6.607 ( 0.000 -7.329 0.946) 7.390 7.062 ( 0.000 -0.423 -1.363) 1.427 8.265 ( 0.000 0.618 -0.407) 0.740 ======================= Grid point 840 (283/344) ======================= q-point: (-0.27 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.017 ( 4.245 1.595 1.374) 4.738 2.185 ( 3.641 7.810 5.912) 10.450 2.543 ( 5.660 -1.174 -1.900) 6.085 2.632 ( 0.762 -0.535 1.307) 1.604 2.833 ( -0.804 -5.003 1.647) 5.328 4.082 ( -1.839 -0.935 -4.715) 5.147 5.981 ( 5.683 -0.325 -0.305) 5.701 6.291 ( -3.331 2.969 0.780) 4.530 6.424 ( 2.597 1.451 0.731) 3.063 6.567 ( 2.265 -3.228 -0.395) 3.963 7.061 ( -0.413 1.473 -0.824) 1.738 8.240 ( -3.501 0.516 -0.188) 3.544 ======================= Grid point 855 (284/344) ======================= q-point: (-0.27 -0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.009 ( -0.000 1.898 2.844) 3.420 2.255 ( -0.000 8.016 7.125) 10.725 2.459 ( 0.000 -4.085 -1.986) 4.542 2.621 ( -0.000 -1.180 1.421) 1.847 2.801 ( 0.000 -4.001 0.443) 4.026 4.052 ( 0.000 -4.957 -5.382) 7.317 5.921 ( 0.000 -1.568 -0.153) 1.576 6.343 ( -0.000 -3.679 1.164) 3.859 6.382 ( 0.000 -1.138 -0.046) 1.139 6.559 ( -0.000 5.894 0.132) 5.895 7.086 ( 0.000 3.258 -0.861) 3.370 8.274 ( 0.000 0.551 -0.317) 0.636 ======================= Grid point 968 (285/344) ======================= q-point: ( 0.27 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( -0.000 -0.000 19.804) 19.804 0.801 ( -0.000 -0.000 19.804) 19.804 1.414 ( -0.000 -0.000 36.673) 36.673 2.019 ( 0.000 0.000 -6.602) 6.602 2.019 ( 0.000 0.000 -6.602) 6.602 3.760 ( 0.000 0.000 -17.736) 17.736 5.183 ( 0.000 -0.000 -0.088) 0.088 5.183 ( 0.000 -0.000 -0.088) 0.088 6.443 ( -0.000 -0.000 0.171) 0.171 6.443 ( -0.000 -0.000 0.171) 0.171 8.268 ( -0.000 -0.000 3.864) 3.864 8.557 ( 0.000 0.000 -1.928) 1.928 ======================= Grid point 969 (286/344) ======================= q-point: ( 0.33 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( 2.749 1.587 18.171) 18.446 1.041 ( 7.893 4.557 20.951) 22.847 1.641 ( 11.051 6.381 20.130) 23.834 2.038 ( 5.917 3.416 -2.072) 7.140 2.047 ( 2.458 1.419 -6.123) 6.749 3.517 ( -8.921 -5.150 -10.911) 15.005 5.220 ( 2.835 1.637 -0.184) 3.279 5.798 ( 38.616 22.295 -17.879) 48.041 6.416 ( -2.621 -1.514 -0.081) 3.028 6.422 ( -1.662 -0.960 0.205) 1.930 8.238 ( -4.008 -2.314 4.319) 6.331 8.481 ( -5.601 -3.234 -2.244) 6.846 ======================= Grid point 970 (287/344) ======================= q-point: ( 0.40 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( 8.854 5.112 13.261) 16.745 1.228 ( 3.627 2.094 21.530) 21.934 1.918 ( 12.158 7.019 -10.227) 17.368 2.092 ( 3.152 1.820 -5.403) 6.514 2.318 ( 16.467 9.507 13.132) 23.108 3.383 ( -1.099 -0.635 -8.631) 8.724 5.307 ( 5.093 2.940 -0.292) 5.888 6.322 ( -3.947 -2.279 -1.107) 4.690 6.375 ( -2.402 -1.387 0.236) 2.783 6.475 ( 24.529 14.162 -15.031) 32.065 8.109 ( -8.986 -5.188 5.779) 11.877 8.328 ( -6.581 -3.800 -4.296) 8.730 ======================= Grid point 971 (288/344) ======================= q-point: ( 0.47 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( 11.106 6.412 8.483) 15.375 1.364 ( 4.733 2.733 13.247) 14.331 2.153 ( 11.703 6.757 -9.994) 16.807 2.156 ( 3.871 2.235 -4.368) 6.250 2.726 ( 15.378 8.879 7.930) 19.448 3.406 ( 4.895 2.826 -4.127) 6.999 5.442 ( 6.945 4.009 -0.289) 8.024 6.206 ( -5.315 -3.068 -0.276) 6.143 6.324 ( -2.070 -1.195 0.216) 2.401 6.855 ( 12.769 7.372 -10.080) 17.861 7.874 ( -13.298 -7.678 4.336) 15.956 8.194 ( -3.894 -2.248 -2.925) 5.364 ======================= Grid point 972 (289/344) ======================= q-point: ( 0.53 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( 10.317 5.956 4.558) 12.755 1.532 ( 7.731 4.464 6.426) 10.999 2.239 ( 4.591 2.651 -2.893) 6.039 2.365 ( 9.170 5.294 -5.382) 11.878 2.995 ( 7.387 4.265 1.201) 8.614 3.569 ( 9.511 5.491 0.478) 10.993 5.605 ( 7.584 4.379 -0.140) 8.759 6.106 ( -3.265 -1.885 0.166) 3.774 6.292 ( -0.698 -0.403 0.127) 0.816 6.997 ( 2.906 1.678 -8.184) 8.845 7.565 ( -14.815 -8.553 2.360) 17.268 8.150 ( 0.144 0.083 0.404) 0.437 ======================= Grid point 973 (290/344) ======================= q-point: ( 0.60 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( 8.921 5.150 1.963) 10.486 1.740 ( 7.758 4.479 1.315) 9.054 2.339 ( 4.814 2.780 -1.061) 5.659 2.522 ( 6.015 3.473 -3.213) 7.652 3.076 ( 0.255 0.147 -0.572) 0.643 3.787 ( 9.070 5.237 2.010) 10.664 5.763 ( 6.269 3.620 0.054) 7.240 6.076 ( 0.660 0.381 0.441) 0.880 6.298 ( 1.201 0.693 0.026) 1.387 6.964 ( -3.324 -1.919 -7.741) 8.641 7.264 ( -11.974 -6.913 2.971) 14.142 8.184 ( 2.063 1.191 1.589) 2.863 ======================= Grid point 974 (291/344) ======================= q-point: ( 0.67 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( 5.055 2.918 -1.028) 5.926 1.928 ( 8.592 4.961 -2.020) 10.125 2.435 ( 3.538 2.043 0.559) 4.123 2.613 ( 2.957 1.707 -2.317) 4.127 3.022 ( -4.320 -2.494 -1.489) 5.206 3.965 ( 5.930 3.424 3.754) 7.809 5.874 ( 3.591 2.073 0.144) 4.149 6.138 ( 4.768 2.753 0.261) 5.511 6.340 ( 2.223 1.284 0.009) 2.567 6.810 ( -8.330 -4.809 -4.536) 10.635 7.089 ( -4.473 -2.582 2.371) 5.683 8.233 ( 1.712 0.988 1.081) 2.253 ======================= Grid point 975 (292/344) ======================= q-point: ( 0.73 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.965 ( 3.057 1.765 -2.340) 4.235 2.102 ( 8.120 4.688 -5.584) 10.913 2.486 ( 0.505 0.292 1.552) 1.658 2.641 ( 0.131 0.076 -1.486) 1.494 2.904 ( -5.204 -3.005 -1.867) 6.292 4.064 ( 1.531 0.884 5.300) 5.587 5.924 ( 1.022 0.590 0.139) 1.188 6.275 ( 6.901 3.984 -0.757) 8.005 6.381 ( 1.119 0.646 0.053) 1.293 6.614 ( -7.653 -4.419 -0.583) 8.856 7.050 ( 0.009 0.005 1.149) 1.149 8.262 ( 0.763 0.440 0.373) 0.957 ======================= Grid point 984 (293/344) ======================= q-point: ( 0.33 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( -0.000 10.270 17.675) 20.442 1.086 ( -0.000 11.670 14.095) 18.299 1.715 ( -0.000 10.396 25.238) 27.295 1.945 ( 0.000 -1.270 -6.984) 7.099 2.079 ( 0.000 7.305 -4.004) 8.330 3.483 ( 0.000 -9.978 -11.931) 15.554 5.200 ( -0.000 2.398 0.121) 2.401 5.754 ( 0.000 41.817 -14.797) 44.357 6.409 ( 0.000 -3.134 -0.034) 3.134 6.431 ( 0.000 -1.490 0.056) 1.491 8.247 ( -0.000 -5.205 4.303) 6.753 8.485 ( 0.000 -4.845 -2.731) 5.561 ======================= Grid point 985 (294/344) ======================= q-point: ( 0.40 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( -1.137 13.856 12.597) 18.761 1.305 ( 3.662 9.982 18.257) 21.127 1.826 ( 1.315 6.426 -5.255) 8.404 2.053 ( 6.254 5.803 -4.613) 9.699 2.217 ( 9.535 10.206 10.850) 17.687 3.359 ( -1.267 -3.400 -9.586) 10.250 5.265 ( 3.588 3.791 0.011) 5.220 6.239 ( 16.021 25.742 -13.128) 33.040 6.359 ( -1.112 -2.166 -1.504) 2.862 6.399 ( -1.644 -1.728 0.080) 2.387 8.162 ( -3.782 -8.830 5.222) 10.933 8.384 ( -5.113 -3.945 -4.346) 7.784 ======================= Grid point 986 (295/344) ======================= q-point: ( 0.47 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( 3.631 13.516 7.675) 15.961 1.454 ( -2.109 9.409 17.761) 20.210 1.964 ( 10.800 4.722 -9.251) 14.984 2.157 ( 2.638 8.120 -8.526) 12.066 2.588 ( 14.876 10.655 10.010) 20.858 3.342 ( 3.287 1.530 -5.676) 6.735 5.386 ( 5.361 5.654 -0.131) 7.793 6.245 ( -4.033 -4.710 -0.208) 6.204 6.352 ( -2.086 -1.118 0.086) 2.368 6.687 ( 14.250 13.313 -9.655) 21.760 7.981 ( -8.221 -10.979 4.869) 14.555 8.242 ( -5.674 -2.435 -4.274) 7.510 ======================= Grid point 987 (296/344) ======================= q-point: ( 0.53 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( 5.769 10.364 3.459) 12.355 1.579 ( -0.002 12.437 12.617) 17.716 2.156 ( 8.521 3.422 -4.350) 10.161 2.282 ( 5.865 8.435 -6.524) 12.170 2.901 ( 9.927 6.039 2.028) 11.795 3.466 ( 8.430 5.099 -0.976) 9.901 5.547 ( 6.307 7.201 -0.097) 9.573 6.136 ( -3.580 -3.816 0.159) 5.235 6.315 ( -1.658 0.216 0.057) 1.673 6.916 ( 6.549 3.761 -7.296) 10.501 7.713 ( -12.357 -10.456 2.382) 16.362 8.152 ( -1.591 -1.570 -0.688) 2.338 ======================= Grid point 988 (297/344) ======================= q-point: ( 0.60 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( 6.076 8.733 2.649) 10.964 1.749 ( 1.739 12.099 6.631) 13.906 2.297 ( 5.181 5.497 -2.577) 7.981 2.446 ( 6.544 5.276 -3.447) 9.085 3.046 ( 3.636 1.112 -0.931) 3.914 3.680 ( 10.007 5.500 0.647) 11.437 5.722 ( 5.607 7.821 0.077) 9.624 6.071 ( -0.767 -1.842 0.615) 2.088 6.307 ( -0.460 1.813 -0.015) 1.871 6.954 ( -0.077 -1.208 -6.959) 7.063 7.410 ( -12.898 -8.388 1.868) 15.499 8.149 ( 2.220 -1.284 1.627) 3.037 ======================= Grid point 989 (298/344) ======================= q-point: ( 0.67 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( 4.970 7.591 2.773) 9.487 1.891 ( 1.791 9.966 0.209) 10.128 2.423 ( 3.305 6.616 -0.547) 7.416 2.567 ( 4.224 2.801 -2.423) 5.618 3.048 ( -1.975 -2.095 -1.911) 3.456 3.883 ( 8.476 3.359 1.984) 9.331 5.870 ( 2.923 7.383 0.251) 7.945 6.086 ( 3.252 0.378 0.744) 3.357 6.334 ( 0.920 2.860 -0.039) 3.004 6.869 ( -5.093 -3.285 -6.021) 8.543 7.168 ( -8.275 -4.857 2.733) 9.977 8.189 ( 3.286 -1.748 1.575) 4.042 ======================= Grid point 990 (299/344) ======================= q-point: ( 0.73 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( 0.116 6.311 0.614) 6.342 2.043 ( 4.983 8.232 -3.479) 10.233 2.517 ( 0.232 6.045 0.982) 6.129 2.626 ( 1.573 1.019 -1.838) 2.625 2.950 ( -4.898 -3.421 -2.640) 6.532 4.028 ( 5.252 0.684 3.923) 6.591 5.957 ( -0.399 6.277 0.284) 6.296 6.183 ( 6.447 1.605 0.276) 6.650 6.383 ( 1.204 2.915 -0.051) 3.154 6.705 ( -8.000 -3.445 -2.520) 9.068 7.064 ( -2.072 -1.404 1.693) 3.022 8.224 ( 2.747 -2.391 0.692) 3.707 ======================= Grid point 1000 (300/344) ======================= q-point: ( 0.40 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( -0.000 14.888 12.584) 19.494 1.386 ( -0.000 12.885 5.351) 13.952 1.900 ( 0.000 0.362 -3.825) 3.842 2.032 ( 0.000 13.976 -6.070) 15.237 2.279 ( -0.000 12.438 13.003) 17.994 3.311 ( 0.000 -2.019 -7.842) 8.098 5.278 ( -0.000 5.521 0.505) 5.544 6.308 ( 0.000 3.639 -1.300) 3.864 6.370 ( 0.000 18.722 -9.641) 21.058 6.390 ( 0.000 -2.550 -0.173) 2.556 8.105 ( -0.000 -12.078 4.927) 13.045 8.378 ( 0.000 -3.342 -5.429) 6.375 ======================= Grid point 1001 (301/344) ======================= q-point: ( 0.47 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( -2.252 13.656 3.700) 14.326 1.614 ( 4.700 12.626 10.412) 17.027 1.881 ( 0.409 4.446 -4.279) 6.184 2.160 ( 3.128 9.496 -12.918) 16.336 2.535 ( 8.484 14.213 12.706) 20.867 3.302 ( 1.652 2.137 -3.949) 4.784 5.372 ( 3.526 7.034 0.479) 7.883 6.251 ( -2.386 -5.190 -0.135) 5.714 6.360 ( -0.602 -2.076 -0.247) 2.176 6.622 ( 7.462 16.428 -6.654) 19.231 7.967 ( -3.142 -13.800 4.470) 14.842 8.294 ( -4.363 -2.238 -5.820) 7.610 ======================= Grid point 1002 (302/344) ======================= q-point: ( 0.53 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( 1.915 11.384 -0.070) 11.544 1.789 ( -2.553 14.715 13.009) 19.806 2.018 ( 10.418 5.237 -5.204) 12.768 2.267 ( 3.730 8.382 -8.851) 12.748 2.822 ( 8.052 9.025 3.558) 12.607 3.397 ( 5.637 6.147 0.262) 8.344 5.526 ( 5.529 8.708 0.341) 10.320 6.153 ( -3.228 -4.497 -0.143) 5.538 6.336 ( -0.611 -0.469 -0.287) 0.822 6.834 ( 6.198 5.943 -4.180) 9.550 7.766 ( -6.556 -13.295 2.948) 15.114 8.181 ( -4.467 -1.496 -3.696) 5.988 ======================= Grid point 1003 (303/344) ======================= q-point: ( 0.60 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( 4.467 10.524 0.328) 11.438 1.918 ( -2.423 13.700 9.516) 16.856 2.234 ( 9.034 7.435 -3.599) 12.241 2.396 ( 4.998 6.678 -4.163) 9.322 2.986 ( 4.716 2.789 -0.785) 5.535 3.586 ( 8.027 6.960 0.986) 10.670 5.715 ( 5.870 9.913 0.319) 11.525 6.072 ( -1.905 -2.773 0.258) 3.375 6.333 ( -0.248 1.592 -0.309) 1.641 6.913 ( 1.853 -0.290 -4.118) 4.525 7.518 ( -9.654 -10.648 1.338) 14.435 8.116 ( -0.575 -1.914 -0.282) 2.019 ======================= Grid point 1004 (304/344) ======================= q-point: ( 0.67 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( 4.747 9.961 0.989) 11.078 2.021 ( -2.186 11.082 5.253) 12.458 2.432 ( 5.323 9.893 -1.109) 11.289 2.520 ( 4.350 4.167 -2.389) 6.480 3.037 ( 0.745 -0.821 -1.959) 2.251 3.778 ( 8.084 3.980 0.715) 9.039 5.899 ( 4.193 10.024 0.427) 10.874 6.049 ( 1.177 -0.628 0.632) 1.476 6.355 ( 0.291 3.021 -0.233) 3.044 6.884 ( -1.937 -2.034 -4.447) 5.260 7.271 ( -9.415 -7.015 1.475) 11.834 8.114 ( 2.659 -3.143 1.198) 4.288 ======================= Grid point 1005 (305/344) ======================= q-point: ( 0.73 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( 2.814 8.373 1.435) 8.949 2.094 ( -1.778 9.913 0.835) 10.105 2.576 ( 1.725 5.945 0.662) 6.225 2.609 ( 2.293 5.567 -1.688) 6.253 2.988 ( -3.744 -1.697 -3.466) 5.377 3.932 ( 7.373 0.214 2.145) 7.682 6.033 ( 0.765 8.305 0.560) 8.359 6.106 ( 4.580 1.732 0.545) 4.926 6.393 ( 0.790 2.747 -0.098) 2.860 6.792 ( -5.798 -1.084 -3.380) 6.798 7.105 ( -4.784 -3.180 1.733) 6.000 8.137 ( 3.676 -4.318 0.890) 5.740 ======================= Grid point 1016 (306/344) ======================= q-point: ( 0.47 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( 0.000 10.325 -6.533) 12.218 1.623 ( -0.000 11.935 3.172) 12.349 1.943 ( -0.000 4.514 4.765) 6.563 2.187 ( 0.000 10.425 -14.005) 17.459 2.658 ( -0.000 16.144 11.807) 20.000 3.315 ( -0.000 5.108 -0.166) 5.110 5.416 ( -0.000 8.180 0.808) 8.220 6.221 ( 0.000 -5.031 -0.553) 5.062 6.339 ( 0.000 -2.420 -0.394) 2.452 6.696 ( 0.000 12.673 -2.693) 12.956 7.862 ( -0.000 -15.231 3.449) 15.617 8.295 ( 0.000 -1.607 -6.468) 6.664 ======================= Grid point 1017 (307/344) ======================= q-point: ( 0.53 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( -1.384 9.462 -5.462) 11.012 1.855 ( 10.954 8.682 -5.255) 14.933 2.002 ( -1.642 8.326 7.344) 11.223 2.270 ( 2.352 9.001 -8.305) 12.471 2.849 ( 2.384 11.370 5.400) 12.811 3.408 ( 2.430 9.056 3.170) 9.898 5.534 ( 3.776 9.192 0.716) 9.963 6.155 ( -2.082 -4.157 -0.860) 4.728 6.324 ( 0.655 -1.303 -0.482) 1.536 6.810 ( 2.702 5.562 -0.141) 6.185 7.704 ( -2.152 -15.099 2.271) 15.419 8.231 ( -3.751 -0.731 -5.576) 6.760 ======================= Grid point 1018 (308/344) ======================= q-point: ( 0.60 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( 3.497 9.679 -2.957) 10.708 2.054 ( 4.286 3.959 -2.450) 6.328 2.153 ( 7.145 13.933 3.154) 15.973 2.382 ( 3.332 7.345 -3.162) 8.662 2.966 ( 1.587 4.551 1.303) 4.993 3.570 ( 4.054 10.062 2.684) 11.175 5.713 ( 5.994 10.081 0.471) 11.737 6.081 ( -2.249 -2.520 -0.653) 3.440 6.335 ( 1.191 0.679 -0.539) 1.473 6.874 ( 1.708 -0.052 0.112) 1.713 7.519 ( -4.123 -13.251 1.050) 13.917 8.142 ( -4.185 -0.465 -3.044) 5.196 ======================= Grid point 1019 (309/344) ======================= q-point: ( 0.67 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( 5.254 9.847 -0.356) 11.167 2.138 ( 1.107 5.701 1.195) 5.929 2.426 ( 8.055 12.739 0.448) 15.079 2.492 ( 3.398 5.110 -1.638) 6.352 3.012 ( 1.075 0.485 -0.009) 1.180 3.724 ( 3.917 6.497 0.606) 7.611 5.915 ( 5.863 10.155 0.311) 11.730 6.040 ( -0.562 -0.449 -0.124) 0.730 6.369 ( 1.210 2.261 -0.415) 2.598 6.874 ( -0.063 -1.757 -0.803) 1.933 7.326 ( -5.785 -9.725 0.401) 11.323 8.077 ( -1.601 -1.689 -0.504) 2.381 ======================= Grid point 1020 (310/344) ======================= q-point: ( 0.73 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.069 ( 4.165 8.982 0.245) 9.903 2.209 ( -0.269 6.654 1.779) 6.893 2.569 ( 2.158 2.588 -0.355) 3.388 2.646 ( 3.879 9.509 0.030) 10.270 3.020 ( -0.667 1.888 -2.034) 2.855 3.831 ( 4.643 0.932 0.682) 4.785 6.055 ( 1.937 1.684 0.424) 2.602 6.092 ( 3.809 8.469 0.140) 9.288 6.405 ( 0.510 1.692 -0.063) 1.769 6.848 ( -1.766 0.726 -1.527) 2.445 7.157 ( -5.284 -5.435 0.639) 7.607 8.050 ( 1.260 -3.797 0.474) 4.029 ======================= Grid point 1032 (311/344) ======================= q-point: ( 0.53 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( 0.000 6.643 -8.990) 11.178 1.782 ( 0.000 6.985 -9.152) 11.513 2.113 ( -0.000 8.398 6.485) 10.611 2.322 ( 0.000 9.271 -3.710) 9.986 2.950 ( -0.000 8.357 4.320) 9.408 3.506 ( -0.000 12.462 4.924) 13.400 5.591 ( -0.000 9.170 0.780) 9.203 6.134 ( 0.000 -2.997 -1.597) 3.396 6.301 ( 0.000 -1.004 -0.448) 1.099 6.834 ( -0.000 2.392 2.805) 3.686 7.578 ( 0.000 -15.173 0.858) 15.197 8.244 ( 0.000 0.062 -5.555) 5.556 ======================= Grid point 1033 (312/344) ======================= q-point: ( 0.60 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( 1.630 7.693 -5.380) 9.528 1.912 ( 9.426 3.919 -10.382) 14.560 2.230 ( 2.232 9.828 5.024) 11.261 2.413 ( 1.264 7.878 -0.205) 7.981 3.011 ( -0.690 3.183 2.971) 4.409 3.654 ( 0.827 12.957 3.442) 13.432 5.718 ( 4.330 9.044 0.509) 10.040 6.093 ( -1.674 -1.253 -1.670) 2.675 6.311 ( 1.654 0.414 -0.465) 1.767 6.856 ( 0.537 -1.232 3.723) 3.958 7.428 ( -1.101 -13.789 -0.333) 13.837 8.203 ( -3.466 0.683 -4.075) 5.393 ======================= Grid point 1034 (313/344) ======================= q-point: ( 0.67 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( 5.594 8.701 -1.460) 10.446 2.073 ( 8.841 2.222 -6.368) 11.120 2.419 ( 7.009 10.961 1.904) 13.149 2.503 ( 1.451 5.603 1.104) 5.892 3.017 ( -0.739 -0.422 2.603) 2.739 3.778 ( -0.232 9.722 0.610) 9.743 5.901 ( 6.714 8.766 0.100) 11.042 6.057 ( -1.514 0.778 -1.131) 2.043 6.356 ( 2.336 1.760 -0.385) 2.950 6.851 ( 0.408 -2.984 3.038) 4.278 7.281 ( -1.739 -11.123 -0.863) 11.291 8.128 ( -4.791 0.563 -2.006) 5.224 ======================= Grid point 1048 (314/344) ======================= q-point: ( 0.60 0.60 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( 0.000 5.502 -4.585) 7.162 1.836 ( 0.000 5.631 -9.270) 10.846 2.303 ( -0.000 7.829 3.088) 8.416 2.479 ( -0.000 7.032 1.449) 7.180 3.042 ( -0.000 -0.305 3.230) 3.244 3.787 ( -0.000 13.015 1.998) 13.168 5.760 ( -0.000 7.534 0.392) 7.544 6.099 ( 0.000 0.738 -2.093) 2.219 6.301 ( 0.000 1.233 -0.267) 1.262 6.845 ( -0.000 -3.342 5.347) 6.306 7.306 ( 0.000 -12.287 -1.817) 12.421 8.231 ( 0.000 1.220 -3.471) 3.679 ======================= Grid point 1049 (315/344) ======================= q-point: (-0.33 -0.40 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( 4.486 7.479 -0.768) 8.755 1.928 ( 7.146 3.507 -6.617) 10.351 2.415 ( 4.273 7.221 1.353) 8.499 2.547 ( 0.368 5.157 1.952) 5.526 3.025 ( -0.928 -3.079 3.210) 4.544 3.894 ( -1.259 10.293 -0.505) 10.382 5.871 ( 5.108 6.337 0.029) 8.140 6.097 ( -1.508 2.836 -1.598) 3.588 6.335 ( 1.967 2.185 -0.201) 2.947 6.820 ( 0.170 -5.275 5.046) 7.302 7.191 ( -0.365 -9.392 -2.361) 9.691 8.206 ( -3.429 1.386 -2.132) 4.269 ======================= Grid point 1064 (316/344) ======================= q-point: (-0.33 -0.33 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( -0.000 4.693 -0.272) 4.701 1.925 ( 0.000 7.325 -1.366) 7.451 2.437 ( -0.000 4.869 0.210) 4.874 2.594 ( -0.000 3.677 2.025) 4.198 3.002 ( -0.000 -5.102 2.878) 5.858 3.992 ( 0.000 8.069 -2.461) 8.435 5.874 ( -0.000 4.202 -0.011) 4.202 6.145 ( 0.000 5.106 -1.249) 5.256 6.340 ( -0.000 2.556 -0.072) 2.557 6.770 ( -0.000 -7.716 4.461) 8.912 7.112 ( 0.000 -5.856 -2.611) 6.412 8.244 ( 0.000 1.414 -1.460) 2.033 ======================= Grid point 1209 (317/344) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( -0.000 -0.000 16.739) 16.739 0.962 ( -0.000 -0.000 16.739) 16.739 1.719 ( -0.000 -0.000 32.411) 32.411 1.958 ( 0.000 0.000 -7.107) 7.107 1.958 ( 0.000 0.000 -7.107) 7.107 3.597 ( 0.000 0.000 -19.034) 19.034 5.182 ( 0.000 -0.000 -0.075) 0.075 5.182 ( 0.000 -0.000 -0.075) 0.075 6.444 ( -0.000 -0.000 0.148) 0.148 6.444 ( -0.000 -0.000 0.148) 0.148 8.303 ( -0.000 -0.000 3.846) 3.846 8.538 ( 0.000 0.000 -2.185) 2.185 ======================= Grid point 1210 (318/344) ======================= q-point: ( 0.40 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( 1.837 1.061 16.611) 16.746 1.207 ( 10.734 6.197 16.285) 20.465 1.756 ( -1.858 -1.072 4.962) 5.405 1.989 ( 2.752 1.589 -6.967) 7.657 2.072 ( 11.725 6.770 10.571) 17.177 3.409 ( -6.928 -4.000 -13.116) 15.363 5.217 ( 2.776 1.603 -0.351) 3.225 5.676 ( 34.442 19.885 -10.331) 41.090 6.415 ( -2.762 -1.595 -0.143) 3.193 6.424 ( -1.639 -0.946 0.263) 1.911 8.276 ( -3.523 -2.034 4.255) 5.887 8.458 ( -6.102 -3.523 -2.736) 7.559 ======================= Grid point 1211 (319/344) ======================= q-point: ( 0.47 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( 7.060 4.076 13.832) 16.056 1.421 ( 1.715 0.990 21.854) 21.944 1.813 ( 10.354 5.978 -13.125) 17.754 2.039 ( 3.600 2.079 -6.532) 7.743 2.428 ( 15.767 9.103 11.097) 21.322 3.304 ( 0.391 0.226 -8.874) 8.886 5.304 ( 5.087 2.937 -0.576) 5.902 6.306 ( 3.949 2.280 -2.981) 5.448 6.371 ( 17.909 10.340 -8.026) 22.183 6.378 ( -2.402 -1.387 0.358) 2.797 8.159 ( -9.019 -5.207 5.548) 11.799 8.290 ( -6.637 -3.832 -4.218) 8.748 ======================= Grid point 1212 (320/344) ======================= q-point: ( 0.53 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 9.275 5.355 10.228) 14.810 1.486 ( 1.634 0.943 13.896) 14.024 2.075 ( 13.606 7.855 -7.194) 17.279 2.111 ( 4.520 2.610 -5.690) 7.721 2.778 ( 12.797 7.388 3.756) 15.246 3.368 ( 6.942 4.008 -4.278) 9.086 5.438 ( 7.018 4.052 -0.616) 8.128 6.205 ( -5.166 -2.983 0.187) 5.969 6.327 ( -2.109 -1.218 0.377) 2.464 6.775 ( 13.522 7.807 -7.997) 17.542 7.902 ( -14.146 -8.167 1.907) 16.446 8.182 ( -2.704 -1.561 0.212) 3.129 ======================= Grid point 1213 (321/344) ======================= q-point: ( 0.60 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( 8.607 4.969 6.592) 11.926 1.603 ( 5.564 3.213 9.561) 11.519 2.208 ( 5.474 3.160 -4.200) 7.589 2.325 ( 9.998 5.772 -3.440) 12.046 2.997 ( 6.491 3.748 -0.698) 7.528 3.564 ( 10.580 6.108 -1.543) 12.313 5.603 ( 7.714 4.454 -0.450) 8.918 6.110 ( -3.140 -1.813 0.876) 3.730 6.294 ( -0.768 -0.443 0.298) 0.935 6.928 ( 2.971 1.716 -7.295) 8.062 7.579 ( -14.651 -8.459 0.986) 16.946 8.165 ( 0.540 0.312 2.857) 2.924 ======================= Grid point 1214 (322/344) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( 6.305 3.640 3.078) 7.904 1.768 ( 6.749 3.896 6.011) 9.841 2.325 ( 5.744 3.316 -2.112) 6.960 2.496 ( 6.266 3.618 -2.481) 7.649 3.065 ( 0.029 0.017 -1.894) 1.894 3.796 ( 10.036 5.794 -0.046) 11.589 5.762 ( 6.385 3.686 -0.186) 7.375 6.084 ( 0.604 0.349 1.373) 1.540 6.299 ( 1.142 0.659 0.161) 1.328 6.899 ( -3.041 -1.756 -6.882) 7.726 7.287 ( -11.364 -6.561 2.360) 13.332 8.203 ( 1.716 0.991 2.768) 3.404 ======================= Grid point 1225 (323/344) ======================= q-point: ( 0.40 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( -0.000 9.418 16.614) 19.098 1.189 ( -0.000 9.345 8.921) 12.920 1.862 ( -0.000 2.569 5.099) 5.710 1.890 ( 0.000 -0.706 -5.162) 5.210 2.092 ( -0.000 10.574 9.873) 14.466 3.370 ( 0.000 -7.380 -12.913) 14.873 5.202 ( -0.000 2.523 0.300) 2.540 5.653 ( 0.000 37.858 -8.424) 38.784 6.410 ( 0.000 -3.331 0.072) 3.331 6.431 ( 0.000 -1.557 -0.056) 1.558 8.284 ( -0.000 -4.675 4.111) 6.226 8.459 ( 0.000 -5.781 -3.073) 6.547 ======================= Grid point 1226 (324/344) ======================= q-point: ( 0.47 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( -1.505 10.652 11.652) 15.859 1.449 ( 9.418 8.944 13.758) 18.920 1.767 ( -4.361 3.971 -6.797) 8.999 1.991 ( 4.390 4.005 -8.132) 10.072 2.331 ( 10.357 11.257 12.714) 19.891 3.275 ( -0.537 -1.530 -8.886) 9.033 5.266 ( 3.276 4.032 0.005) 5.195 6.144 ( 17.054 28.627 -8.222) 34.322 6.352 ( -2.240 -4.238 -0.422) 4.812 6.400 ( -1.484 -1.811 0.048) 2.342 8.208 ( -3.413 -8.655 5.281) 10.697 8.343 ( -5.278 -4.814 -4.765) 8.587 ======================= Grid point 1227 (325/344) ======================= q-point: ( 0.53 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( 3.612 9.446 8.133) 12.978 1.603 ( -3.638 7.500 15.109) 17.256 1.889 ( 12.690 7.368 -6.987) 16.252 2.081 ( 3.850 6.788 -8.384) 11.454 2.657 ( 12.017 9.346 5.231) 16.097 3.296 ( 4.337 3.639 -4.516) 7.242 5.384 ( 5.164 5.936 -0.331) 7.874 6.245 ( -3.987 -4.680 0.129) 6.149 6.353 ( -1.946 -1.279 0.148) 2.333 6.617 ( 14.356 14.716 -6.162) 21.462 8.016 ( -9.306 -11.378 2.775) 14.959 8.213 ( -3.927 -2.601 -1.918) 5.086 ======================= Grid point 1228 (326/344) ======================= q-point: ( 0.60 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( 5.970 7.393 5.236) 10.850 1.691 ( -1.517 11.852 12.354) 17.187 2.117 ( 8.747 3.789 -4.744) 10.648 2.233 ( 7.624 8.843 -4.130) 12.384 2.907 ( 8.546 5.148 -0.658) 9.998 3.453 ( 8.897 6.549 -1.904) 11.210 5.545 ( 6.244 7.486 -0.395) 9.756 6.140 ( -3.349 -3.825 0.645) 5.125 6.317 ( -1.592 0.030 0.236) 1.609 6.859 ( 5.965 4.569 -5.465) 9.291 7.725 ( -12.795 -10.321 0.388) 16.443 8.158 ( -0.122 -2.071 2.103) 2.954 ======================= Grid point 1229 (327/344) ======================= q-point: ( 0.67 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( 6.069 7.167 3.811) 10.135 1.823 ( -0.547 10.998 9.639) 14.634 2.269 ( 6.138 6.136 -3.779) 9.466 2.421 ( 6.829 5.403 -2.005) 8.935 3.033 ( 3.419 0.899 -2.020) 4.071 3.676 ( 10.401 6.283 -1.490) 12.243 5.721 ( 5.625 8.083 -0.246) 9.850 6.079 ( -0.582 -1.957 1.305) 2.423 6.308 ( -0.443 1.667 0.232) 1.740 6.898 ( -0.606 -0.610 -5.690) 5.755 7.422 ( -12.273 -8.158 1.007) 14.771 8.170 ( 2.471 -1.889 3.139) 4.420 ======================= Grid point 1241 (328/344) ======================= q-point: ( 0.47 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( 0.000 9.930 -2.597) 10.264 1.426 ( -0.000 11.524 14.221) 18.304 1.889 ( -0.000 2.230 1.509) 2.693 1.933 ( 0.000 8.904 -14.637) 17.133 2.407 ( -0.000 13.847 13.625) 19.426 3.247 ( 0.000 0.599 -6.106) 6.135 5.284 ( -0.000 5.628 0.713) 5.673 6.280 ( 0.000 27.987 -4.385) 28.328 6.325 ( 0.000 -3.941 -1.168) 4.110 6.388 ( 0.000 -2.621 -0.308) 2.639 8.149 ( -0.000 -12.380 4.847) 13.295 8.329 ( 0.000 -4.065 -5.624) 6.939 ======================= Grid point 1242 (329/344) ======================= q-point: ( 0.53 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( -1.336 9.391 -0.072) 9.485 1.679 ( 9.798 8.269 4.514) 13.593 1.868 ( -3.659 8.523 0.747) 9.305 2.053 ( 4.755 8.706 -10.200) 14.229 2.630 ( 5.671 12.801 8.251) 16.251 3.274 ( 1.946 4.989 -2.175) 5.780 5.376 ( 3.275 7.200 0.509) 7.926 6.249 ( -2.346 -5.465 -0.205) 5.950 6.358 ( -0.511 -2.155 -0.299) 2.235 6.582 ( 7.236 18.417 -2.409) 19.934 8.003 ( -3.354 -14.474 3.577) 15.282 8.246 ( -3.598 -2.544 -4.887) 6.580 ======================= Grid point 1243 (330/344) ======================= q-point: ( 0.60 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( 3.375 8.768 0.078) 9.395 1.891 ( -0.947 13.724 9.357) 16.638 1.973 ( 9.966 4.341 -5.307) 12.097 2.203 ( 5.352 9.613 -4.536) 11.901 2.844 ( 5.682 8.067 1.313) 9.954 3.399 ( 5.400 8.138 0.049) 9.766 5.528 ( 5.330 8.925 0.114) 10.396 6.152 ( -2.950 -4.694 -0.028) 5.544 6.334 ( -0.495 -0.649 -0.113) 0.824 6.809 ( 5.155 7.247 -1.462) 9.012 7.784 ( -7.290 -13.473 1.134) 15.361 8.158 ( -2.546 -2.078 -1.407) 3.575 ======================= Grid point 1244 (331/344) ======================= q-point: ( 0.67 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( 5.518 9.241 1.640) 10.887 1.999 ( -2.487 10.838 8.477) 13.982 2.196 ( 9.789 8.872 -5.076) 14.153 2.372 ( 5.538 7.060 -0.999) 9.028 2.977 ( 3.930 2.934 -1.137) 5.034 3.586 ( 7.407 7.778 -0.884) 10.777 5.716 ( 5.811 10.122 -0.091) 11.672 6.075 ( -1.528 -2.992 0.547) 3.404 6.332 ( -0.141 1.402 0.114) 1.413 6.885 ( 0.578 0.690 -2.269) 2.441 7.524 ( -9.712 -10.514 0.048) 14.313 8.121 ( 0.774 -2.751 1.550) 3.251 ======================= Grid point 1257 (332/344) ======================= q-point: ( 0.53 0.53 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( 0.000 8.830 -10.040) 13.370 1.637 ( 0.000 5.722 -0.925) 5.796 1.996 ( -0.000 5.838 6.847) 8.999 2.080 ( 0.000 13.888 -9.396) 16.768 2.745 ( -0.000 13.617 7.648) 15.618 3.318 ( -0.000 8.031 1.039) 8.098 5.423 ( -0.000 8.191 0.894) 8.240 6.215 ( 0.000 -5.405 -0.753) 5.457 6.335 ( 0.000 -2.450 -0.469) 2.495 6.690 ( -0.000 14.457 1.274) 14.513 7.889 ( -0.000 -16.094 2.704) 16.320 8.241 ( 0.000 -1.727 -5.689) 5.945 ======================= Grid point 1258 (333/344) ======================= q-point: ( 0.60 0.53 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( 0.756 8.422 -5.939) 10.334 1.789 ( 11.126 5.350 -9.609) 15.645 2.067 ( -1.134 8.979 6.695) 11.257 2.222 ( 3.079 11.504 -2.114) 12.095 2.889 ( 0.911 9.862 3.404) 10.472 3.433 ( 1.989 10.726 2.571) 11.208 5.540 ( 3.605 9.195 0.607) 9.895 6.147 ( -1.845 -4.514 -0.903) 4.960 6.320 ( 0.690 -1.355 -0.395) 1.572 6.822 ( 1.924 6.756 2.880) 7.592 7.720 ( -2.248 -15.906 1.279) 16.115 8.187 ( -2.876 -0.688 -4.343) 5.254 ======================= Grid point 1273 (334/344) ======================= q-point: (-0.40 -0.40 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( 0.000 8.116 -8.091) 11.460 1.694 ( 0.000 5.536 -10.586) 11.946 2.165 ( -0.000 7.379 5.412) 9.151 2.308 ( -0.000 11.314 0.369) 11.320 2.982 ( -0.000 7.442 2.744) 7.932 3.542 ( -0.000 12.722 3.340) 13.153 5.598 ( -0.000 9.053 0.676) 9.078 6.121 ( 0.000 -3.363 -1.436) 3.657 6.297 ( 0.000 -0.957 -0.410) 1.041 6.871 ( -0.000 3.109 5.427) 6.255 7.583 ( 0.000 -16.208 0.134) 16.209 8.199 ( 0.000 0.547 -4.642) 4.674 ======================= Grid point 1451 (335/344) ======================= q-point: ( 0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( -0.000 -0.000 11.927) 11.927 1.090 ( -0.000 -0.000 11.927) 11.927 1.898 ( 0.000 0.000 -6.066) 6.066 1.898 ( 0.000 0.000 -6.066) 6.066 1.974 ( -0.000 -0.000 24.539) 24.539 3.436 ( 0.000 0.000 -16.580) 16.580 5.182 ( 0.000 -0.000 -0.049) 0.049 5.182 ( 0.000 -0.000 -0.049) 0.049 6.445 ( -0.000 -0.000 0.100) 0.100 6.445 ( -0.000 -0.000 0.100) 0.100 8.334 ( -0.000 -0.000 3.112) 3.112 8.519 ( 0.000 0.000 -1.998) 1.998 ======================= Grid point 1452 (336/344) ======================= q-point: ( 0.47 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( 1.989 1.149 13.268) 13.465 1.316 ( 13.212 7.628 7.450) 16.978 1.763 ( -6.880 -3.972 -0.364) 7.953 1.928 ( 2.696 1.557 -6.645) 7.339 2.188 ( 11.156 6.441 12.780) 18.146 3.300 ( -4.925 -2.844 -10.775) 12.183 5.214 ( 2.658 1.535 -0.455) 3.103 5.610 ( 31.531 18.204 -4.857) 36.731 6.414 ( -2.881 -1.664 -0.181) 3.332 6.426 ( -1.584 -0.914 0.274) 1.849 8.311 ( -2.851 -1.646 3.393) 4.728 8.435 ( -6.771 -3.909 -2.489) 8.205 ======================= Grid point 1453 (337/344) ======================= q-point: ( 0.53 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( 6.253 3.610 12.666) 14.579 1.603 ( -2.417 -1.396 17.480) 17.702 1.696 ( 14.195 8.195 -11.265) 19.888 1.979 ( 3.775 2.180 -6.906) 8.167 2.500 ( 13.722 7.922 4.398) 16.444 3.237 ( 1.715 0.990 -5.697) 6.032 5.298 ( 5.041 2.910 -0.755) 5.869 6.271 ( 21.647 12.498 -3.674) 25.264 6.333 ( 0.416 0.240 -1.822) 1.885 6.381 ( -2.376 -1.372 0.413) 2.774 8.200 ( -11.038 -6.373 2.728) 13.034 8.260 ( -4.408 -2.545 -1.569) 5.326 ======================= Grid point 1454 (338/344) ======================= q-point: ( 0.60 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( 7.999 4.618 10.853) 14.252 1.592 ( 0.973 0.562 9.249) 9.317 2.038 ( 14.487 8.364 -0.273) 16.731 2.057 ( 5.016 2.896 -6.673) 8.836 2.787 ( 11.367 6.563 -1.880) 13.259 3.336 ( 7.873 4.545 -2.944) 9.555 5.431 ( 7.071 4.082 -0.829) 8.207 6.209 ( -4.953 -2.860 0.614) 5.752 6.331 ( -2.127 -1.228 0.465) 2.500 6.717 ( 13.401 7.737 -4.968) 16.252 7.906 ( -14.415 -8.322 -0.914) 16.670 8.199 ( -1.814 -1.047 3.570) 4.139 ======================= Grid point 1467 (339/344) ======================= q-point: ( 0.47 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( -0.000 6.502 0.991) 6.577 1.243 ( -0.000 10.798 13.069) 16.952 1.838 ( 0.000 -1.694 -6.677) 6.888 1.862 ( 0.000 0.690 -0.743) 1.013 2.207 ( -0.000 10.132 11.801) 15.554 3.271 ( 0.000 -5.138 -8.496) 9.929 5.206 ( -0.000 2.695 0.427) 2.729 5.601 ( -0.000 35.467 -3.662) 35.656 6.411 ( 0.000 -3.418 0.146) 3.421 6.430 ( 0.000 -1.645 -0.160) 1.653 8.316 ( -0.000 -3.731 2.978) 4.773 8.433 ( 0.000 -7.065 -2.552) 7.512 ======================= Grid point 1468 (340/344) ======================= q-point: ( 0.53 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( 0.524 7.396 5.550) 9.262 1.531 ( 12.679 11.434 4.359) 17.621 1.727 ( -6.353 1.078 -1.587) 6.636 1.928 ( 3.589 2.939 -4.900) 6.748 2.415 ( 7.934 11.260 5.428) 14.805 3.215 ( 0.052 -0.042 -3.930) 3.931 5.266 ( 2.829 4.320 0.001) 5.164 6.096 ( 17.033 29.244 -2.728) 33.953 6.350 ( -2.548 -4.562 -0.117) 5.227 6.400 ( -1.270 -1.930 0.015) 2.310 8.254 ( -3.216 -8.754 5.166) 10.661 8.300 ( -5.150 -5.209 -4.995) 8.866 ======================= Grid point 1469 (341/344) ======================= q-point: ( 0.60 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( 5.064 5.693 5.665) 9.494 1.691 ( -3.131 8.610 3.359) 9.758 1.862 ( 13.697 6.399 1.410) 15.184 2.021 ( 4.501 6.967 -3.647) 9.060 2.674 ( 9.555 9.392 -1.554) 13.488 3.269 ( 4.554 4.737 -1.287) 6.696 5.380 ( 4.893 6.211 -0.460) 7.920 6.247 ( -3.836 -4.734 0.285) 6.100 6.355 ( -1.760 -1.418 0.237) 2.273 6.580 ( 13.668 15.450 -2.035) 20.728 8.025 ( -10.679 -11.017 -0.995) 15.375 8.214 ( -1.649 -3.339 2.111) 4.281 ======================= Grid point 1483 (342/344) ======================= q-point: ( 0.53 0.53 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( 0.000 7.724 -9.221) 12.029 1.554 ( -0.000 7.916 14.471) 16.495 1.788 ( 0.000 7.948 -17.931) 19.614 1.923 ( -0.000 3.845 5.626) 6.815 2.495 ( -0.000 14.117 5.636) 15.200 3.214 ( 0.000 2.245 -0.823) 2.391 5.291 ( -0.000 5.733 0.802) 5.789 6.256 ( -0.000 29.799 -0.519) 29.803 6.324 ( 0.000 -4.779 0.466) 4.802 6.385 ( 0.000 -2.689 -0.394) 2.718 8.189 ( -0.000 -13.217 3.991) 13.806 8.281 ( 0.000 -4.060 -4.971) 6.418 ======================= Grid point 1694 (343/344) ======================= q-point: ( 0.47 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( -0.000 -0.000 4.511) 4.511 1.164 ( -0.000 -0.000 4.511) 4.511 1.858 ( 0.000 0.000 -2.544) 2.544 1.858 ( 0.000 0.000 -2.544) 2.544 2.131 ( -0.000 -0.000 9.865) 9.865 3.326 ( 0.000 0.000 -7.224) 7.224 5.182 ( 0.000 -0.000 -0.017) 0.017 5.182 ( 0.000 -0.000 -0.017) 0.017 6.446 ( -0.000 -0.000 0.035) 0.035 6.446 ( -0.000 -0.000 0.035) 0.035 8.354 ( -0.000 -0.000 1.291) 1.291 8.506 ( 0.000 0.000 -0.899) 0.899 ======================= Grid point 1695 (344/344) ======================= q-point: ( 0.53 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( 3.292 1.900 7.400) 8.319 1.326 ( 12.163 7.022 -4.963) 14.896 1.782 ( -5.173 -2.987 5.000) 7.790 1.878 ( 1.982 1.144 -4.137) 4.728 2.257 ( 8.944 5.164 1.453) 10.430 3.240 ( -3.833 -2.213 -1.895) 4.815 5.210 ( 2.501 1.444 -0.482) 2.928 5.587 ( 30.275 17.479 -0.478) 34.961 6.412 ( -2.954 -1.706 -0.183) 3.416 6.428 ( -1.508 -0.871 0.237) 1.757 8.329 ( -2.355 -1.360 0.408) 2.750 8.421 ( -7.185 -4.148 -0.168) 8.298 =================== 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 3/40500 10.0 778.160 778.160 1674.532 0.000 -0.000 -0.000 3/40500 20.0 173.391 173.391 168.741 0.000 -0.000 -0.000 3/40500 30.0 84.510 84.510 64.350 0.000 -0.000 -0.000 3/40500 40.0 56.269 56.269 38.197 0.000 -0.000 -0.000 3/40500 50.0 41.291 41.291 26.706 0.000 -0.000 -0.000 3/40500 60.0 31.861 31.861 20.229 0.000 -0.000 -0.000 3/40500 70.0 25.567 25.567 16.131 0.000 -0.000 -0.000 3/40500 80.0 21.196 21.196 13.354 0.000 -0.000 -0.000 3/40500 90.0 18.045 18.045 11.373 0.000 -0.000 -0.000 3/40500 100.0 15.694 15.694 9.901 0.000 -0.000 -0.000 3/40500 110.0 13.884 13.884 8.769 0.000 -0.000 -0.000 3/40500 120.0 12.453 12.453 7.874 0.000 -0.000 -0.000 3/40500 130.0 11.295 11.295 7.148 0.000 -0.000 -0.000 3/40500 140.0 10.340 10.340 6.549 0.000 -0.000 -0.000 3/40500 150.0 9.539 9.539 6.046 0.000 -0.000 -0.000 3/40500 160.0 8.857 8.857 5.616 0.000 -0.000 -0.000 3/40500 170.0 8.269 8.269 5.246 0.000 -0.000 -0.000 3/40500 180.0 7.757 7.757 4.923 0.000 -0.000 -0.000 3/40500 190.0 7.307 7.307 4.639 0.000 -0.000 -0.000 3/40500 200.0 6.908 6.908 4.387 0.000 -0.000 -0.000 3/40500 210.0 6.552 6.552 4.161 0.000 -0.000 -0.000 3/40500 220.0 6.232 6.232 3.958 0.000 -0.000 -0.000 3/40500 230.0 5.942 5.942 3.775 0.000 -0.000 -0.000 3/40500 240.0 5.679 5.679 3.608 0.000 -0.000 -0.000 3/40500 250.0 5.439 5.439 3.456 0.000 -0.000 -0.000 3/40500 260.0 5.219 5.219 3.316 0.000 -0.000 -0.000 3/40500 270.0 5.017 5.017 3.188 0.000 -0.000 -0.000 3/40500 280.0 4.830 4.830 3.069 0.000 -0.000 -0.000 3/40500 290.0 4.656 4.656 2.959 0.000 -0.000 -0.000 3/40500 300.0 4.495 4.495 2.857 0.000 -0.000 -0.000 3/40500 310.0 4.345 4.345 2.762 0.000 -0.000 -0.000 3/40500 320.0 4.205 4.205 2.673 0.000 -0.000 -0.000 3/40500 330.0 4.074 4.074 2.589 0.000 -0.000 -0.000 3/40500 340.0 3.951 3.951 2.511 0.000 -0.000 -0.000 3/40500 350.0 3.835 3.835 2.437 0.000 -0.000 -0.000 3/40500 360.0 3.726 3.726 2.368 0.000 -0.000 -0.000 3/40500 370.0 3.623 3.623 2.303 0.000 -0.000 -0.000 3/40500 380.0 3.526 3.526 2.241 0.000 -0.000 -0.000 3/40500 390.0 3.434 3.434 2.182 0.000 -0.000 -0.000 3/40500 400.0 3.346 3.346 2.126 0.000 -0.000 -0.000 3/40500 410.0 3.263 3.263 2.074 0.000 -0.000 -0.000 3/40500 420.0 3.184 3.184 2.024 0.000 -0.000 -0.000 3/40500 430.0 3.109 3.109 1.976 0.000 -0.000 -0.000 3/40500 440.0 3.037 3.037 1.930 0.000 -0.000 -0.000 3/40500 450.0 2.969 2.969 1.887 0.000 -0.000 -0.000 3/40500 460.0 2.904 2.904 1.845 0.000 -0.000 -0.000 3/40500 470.0 2.841 2.841 1.805 0.000 -0.000 -0.000 3/40500 480.0 2.781 2.781 1.767 0.000 -0.000 -0.000 3/40500 490.0 2.724 2.724 1.731 0.000 -0.000 -0.000 3/40500 500.0 2.669 2.669 1.696 0.000 -0.000 -0.000 3/40500 510.0 2.616 2.616 1.662 0.000 -0.000 -0.000 3/40500 520.0 2.565 2.565 1.630 0.000 -0.000 -0.000 3/40500 530.0 2.517 2.517 1.599 0.000 -0.000 -0.000 3/40500 540.0 2.470 2.470 1.569 0.000 -0.000 -0.000 3/40500 550.0 2.424 2.424 1.540 0.000 -0.000 -0.000 3/40500 560.0 2.381 2.381 1.513 0.000 -0.000 -0.000 3/40500 570.0 2.339 2.339 1.486 0.000 -0.000 -0.000 3/40500 580.0 2.298 2.298 1.460 0.000 -0.000 -0.000 3/40500 590.0 2.259 2.259 1.435 0.000 -0.000 -0.000 3/40500 600.0 2.221 2.221 1.411 0.000 -0.000 -0.000 3/40500 610.0 2.185 2.185 1.388 0.000 -0.000 -0.000 3/40500 620.0 2.149 2.149 1.365 0.000 -0.000 -0.000 3/40500 630.0 2.115 2.115 1.343 0.000 -0.000 -0.000 3/40500 640.0 2.082 2.082 1.322 0.000 -0.000 -0.000 3/40500 650.0 2.050 2.050 1.302 0.000 -0.000 -0.000 3/40500 660.0 2.018 2.018 1.282 0.000 -0.000 -0.000 3/40500 670.0 1.988 1.988 1.263 0.000 -0.000 -0.000 3/40500 680.0 1.959 1.959 1.244 0.000 -0.000 -0.000 3/40500 690.0 1.930 1.930 1.226 0.000 -0.000 -0.000 3/40500 700.0 1.903 1.903 1.208 0.000 -0.000 -0.000 3/40500 710.0 1.876 1.876 1.191 0.000 -0.000 -0.000 3/40500 720.0 1.850 1.850 1.175 0.000 -0.000 -0.000 3/40500 730.0 1.824 1.824 1.159 0.000 -0.000 -0.000 3/40500 740.0 1.800 1.800 1.143 0.000 -0.000 -0.000 3/40500 750.0 1.776 1.776 1.128 0.000 -0.000 -0.000 3/40500 760.0 1.752 1.752 1.113 0.000 -0.000 -0.000 3/40500 770.0 1.729 1.729 1.098 0.000 -0.000 -0.000 3/40500 780.0 1.707 1.707 1.084 0.000 -0.000 -0.000 3/40500 790.0 1.685 1.685 1.070 0.000 -0.000 -0.000 3/40500 800.0 1.664 1.664 1.057 0.000 -0.000 -0.000 3/40500 810.0 1.644 1.644 1.044 0.000 -0.000 -0.000 3/40500 820.0 1.624 1.624 1.031 0.000 -0.000 -0.000 3/40500 830.0 1.604 1.604 1.019 0.000 -0.000 -0.000 3/40500 840.0 1.585 1.585 1.006 0.000 -0.000 -0.000 3/40500 850.0 1.566 1.566 0.995 0.000 -0.000 -0.000 3/40500 860.0 1.548 1.548 0.983 0.000 -0.000 -0.000 3/40500 870.0 1.530 1.530 0.972 0.000 -0.000 -0.000 3/40500 880.0 1.513 1.513 0.961 0.000 -0.000 -0.000 3/40500 890.0 1.496 1.496 0.950 0.000 -0.000 -0.000 3/40500 900.0 1.479 1.479 0.939 0.000 -0.000 -0.000 3/40500 910.0 1.463 1.463 0.929 0.000 -0.000 -0.000 3/40500 920.0 1.447 1.447 0.919 0.000 -0.000 -0.000 3/40500 930.0 1.431 1.431 0.909 0.000 -0.000 -0.000 3/40500 940.0 1.416 1.416 0.899 0.000 -0.000 -0.000 3/40500 950.0 1.401 1.401 0.890 0.000 -0.000 -0.000 3/40500 960.0 1.387 1.387 0.880 0.000 -0.000 -0.000 3/40500 970.0 1.372 1.372 0.871 0.000 -0.000 -0.000 3/40500 980.0 1.358 1.358 0.862 0.000 -0.000 -0.000 3/40500 990.0 1.345 1.345 0.854 0.000 -0.000 -0.000 3/40500 1000.0 1.331 1.331 0.845 0.000 -0.000 -0.000 3/40500 Thermal conductivity related properties were written into "kappa-m151515.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:19:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|