----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 11:02:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) Number of symmetry operations in supercell: 324 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.040323908697156 1.177981557920330 7.222499919999992 b -2.040323908697152 1.177981557920330 7.222499919999992 c 0.000000000000002 -2.355963115840663 7.222499919999992 Atomic positions (fractional): *1 Tl 0.50000000000000 0.50000000000000 0.50000000000000 204.383 *2 Bi 0.00000000000000 0.00000000000000 0.00000000000000 208.980 *3 S 0.73887563726504 0.73887563726504 0.73887563726504 32.065 4 S 0.26112436273496 0.26112436273496 0.26112436273496 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.080647817394308 0.000000000000000 0.000000000000000 b -2.040323908697154 3.533944673760993 0.000000000000000 c 0.000000000000000 0.000000000000000 21.667499759999998 Atomic positions (fractional): *1 Tl 0.33333333333333 0.66666666666667 0.16666666666667 204.383 > 1 2 Tl 0.00000000000000 0.00000000000000 0.50000000000000 204.383 > 1 3 Tl 0.66666666666667 0.33333333333333 0.83333333333333 204.383 > 1 *4 Bi 0.00000000000000 0.00000000000000 0.00000000000000 208.980 > 2 5 Bi 0.66666666666667 0.33333333333333 0.33333333333333 208.980 > 2 6 Bi 0.33333333333333 0.66666666666667 0.66666666666667 208.980 > 2 *7 S 0.66666666666667 0.33333333333333 0.07220897059837 32.065 > 3 8 S 0.00000000000000 0.00000000000000 0.26112436273496 32.065 > 4 9 S 0.33333333333333 0.66666666666667 0.40554230393171 32.065 > 3 10 S 0.66666666666667 0.33333333333333 0.59445769606829 32.065 > 4 11 S 0.00000000000000 0.00000000000000 0.73887563726504 32.065 > 3 12 S 0.33333333333333 0.66666666666667 0.92779102940163 32.065 > 4 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.241943452182923 0.000000000000000 0.000000000000000 b -6.120971726091462 10.601834021282979 0.000000000000000 c 0.000000000000000 0.000000000000000 21.667499759999998 Atomic positions (fractional): *1 Tl 0.11111111111111 0.22222222222222 0.16666666666667 204.383 > 1 2 Tl 0.44444444444444 0.22222222222222 0.16666666666667 204.383 > 1 3 Tl 0.77777777777778 0.22222222222222 0.16666666666667 204.383 > 1 4 Tl 0.11111111111111 0.55555555555556 0.16666666666667 204.383 > 1 5 Tl 0.44444444444444 0.55555555555556 0.16666666666667 204.383 > 1 6 Tl 0.77777777777778 0.55555555555556 0.16666666666667 204.383 > 1 7 Tl 0.11111111111111 0.88888888888889 0.16666666666667 204.383 > 1 8 Tl 0.44444444444444 0.88888888888889 0.16666666666667 204.383 > 1 9 Tl 0.77777777777778 0.88888888888889 0.16666666666667 204.383 > 1 10 Tl 0.00000000000000 0.00000000000000 0.50000000000000 204.383 > 1 11 Tl 0.33333333333333 0.00000000000000 0.50000000000000 204.383 > 1 12 Tl 0.66666666666667 0.00000000000000 0.50000000000000 204.383 > 1 13 Tl 0.00000000000000 0.33333333333333 0.50000000000000 204.383 > 1 14 Tl 0.33333333333333 0.33333333333333 0.50000000000000 204.383 > 1 15 Tl 0.66666666666667 0.33333333333333 0.50000000000000 204.383 > 1 16 Tl 0.00000000000000 0.66666666666667 0.50000000000000 204.383 > 1 17 Tl 0.33333333333333 0.66666666666667 0.50000000000000 204.383 > 1 18 Tl 0.66666666666667 0.66666666666667 0.50000000000000 204.383 > 1 19 Tl 0.22222222222222 0.11111111111111 0.83333333333333 204.383 > 1 20 Tl 0.55555555555556 0.11111111111111 0.83333333333333 204.383 > 1 21 Tl 0.88888888888889 0.11111111111111 0.83333333333333 204.383 > 1 22 Tl 0.22222222222222 0.44444444444444 0.83333333333333 204.383 > 1 23 Tl 0.55555555555556 0.44444444444444 0.83333333333333 204.383 > 1 24 Tl 0.88888888888889 0.44444444444444 0.83333333333333 204.383 > 1 25 Tl 0.22222222222222 0.77777777777778 0.83333333333333 204.383 > 1 26 Tl 0.55555555555556 0.77777777777778 0.83333333333333 204.383 > 1 27 Tl 0.88888888888889 0.77777777777778 0.83333333333333 204.383 > 1 *28 Bi 0.00000000000000 0.00000000000000 0.00000000000000 208.980 > 2 29 Bi 0.33333333333333 0.00000000000000 0.00000000000000 208.980 > 2 30 Bi 0.66666666666667 0.00000000000000 0.00000000000000 208.980 > 2 31 Bi 0.00000000000000 0.33333333333333 0.00000000000000 208.980 > 2 32 Bi 0.33333333333333 0.33333333333333 0.00000000000000 208.980 > 2 33 Bi 0.66666666666667 0.33333333333333 0.00000000000000 208.980 > 2 34 Bi 0.00000000000000 0.66666666666667 0.00000000000000 208.980 > 2 35 Bi 0.33333333333333 0.66666666666667 0.00000000000000 208.980 > 2 36 Bi 0.66666666666667 0.66666666666667 0.00000000000000 208.980 > 2 37 Bi 0.22222222222222 0.11111111111111 0.33333333333333 208.980 > 2 38 Bi 0.55555555555556 0.11111111111111 0.33333333333333 208.980 > 2 39 Bi 0.88888888888889 0.11111111111111 0.33333333333333 208.980 > 2 40 Bi 0.22222222222222 0.44444444444444 0.33333333333333 208.980 > 2 41 Bi 0.55555555555556 0.44444444444444 0.33333333333333 208.980 > 2 42 Bi 0.88888888888889 0.44444444444444 0.33333333333333 208.980 > 2 43 Bi 0.22222222222222 0.77777777777778 0.33333333333333 208.980 > 2 44 Bi 0.55555555555556 0.77777777777778 0.33333333333333 208.980 > 2 45 Bi 0.88888888888889 0.77777777777778 0.33333333333333 208.980 > 2 46 Bi 0.11111111111111 0.22222222222222 0.66666666666667 208.980 > 2 47 Bi 0.44444444444444 0.22222222222222 0.66666666666667 208.980 > 2 48 Bi 0.77777777777778 0.22222222222222 0.66666666666667 208.980 > 2 49 Bi 0.11111111111111 0.55555555555556 0.66666666666667 208.980 > 2 50 Bi 0.44444444444444 0.55555555555556 0.66666666666667 208.980 > 2 51 Bi 0.77777777777778 0.55555555555556 0.66666666666667 208.980 > 2 52 Bi 0.11111111111111 0.88888888888889 0.66666666666667 208.980 > 2 53 Bi 0.44444444444444 0.88888888888889 0.66666666666667 208.980 > 2 54 Bi 0.77777777777778 0.88888888888889 0.66666666666667 208.980 > 2 *55 S 0.22222222222222 0.11111111111111 0.07220897059837 32.065 > 3 56 S 0.55555555555556 0.11111111111111 0.07220897059837 32.065 > 3 57 S 0.88888888888889 0.11111111111111 0.07220897059837 32.065 > 3 58 S 0.22222222222222 0.44444444444444 0.07220897059837 32.065 > 3 59 S 0.55555555555556 0.44444444444444 0.07220897059837 32.065 > 3 60 S 0.88888888888889 0.44444444444444 0.07220897059837 32.065 > 3 61 S 0.22222222222222 0.77777777777778 0.07220897059837 32.065 > 3 62 S 0.55555555555556 0.77777777777778 0.07220897059837 32.065 > 3 63 S 0.88888888888889 0.77777777777778 0.07220897059837 32.065 > 3 64 S 0.00000000000000 0.00000000000000 0.26112436273496 32.065 > 4 65 S 0.33333333333333 0.00000000000000 0.26112436273496 32.065 > 4 66 S 0.66666666666667 0.00000000000000 0.26112436273496 32.065 > 4 67 S 0.00000000000000 0.33333333333333 0.26112436273496 32.065 > 4 68 S 0.33333333333333 0.33333333333333 0.26112436273496 32.065 > 4 69 S 0.66666666666667 0.33333333333333 0.26112436273496 32.065 > 4 70 S 0.00000000000000 0.66666666666667 0.26112436273496 32.065 > 4 71 S 0.33333333333333 0.66666666666667 0.26112436273496 32.065 > 4 72 S 0.66666666666667 0.66666666666667 0.26112436273496 32.065 > 4 73 S 0.11111111111111 0.22222222222222 0.40554230393171 32.065 > 3 74 S 0.44444444444444 0.22222222222222 0.40554230393171 32.065 > 3 75 S 0.77777777777778 0.22222222222222 0.40554230393171 32.065 > 3 76 S 0.11111111111111 0.55555555555556 0.40554230393171 32.065 > 3 77 S 0.44444444444444 0.55555555555556 0.40554230393171 32.065 > 3 78 S 0.77777777777778 0.55555555555556 0.40554230393171 32.065 > 3 79 S 0.11111111111111 0.88888888888889 0.40554230393171 32.065 > 3 80 S 0.44444444444444 0.88888888888889 0.40554230393171 32.065 > 3 81 S 0.77777777777778 0.88888888888889 0.40554230393171 32.065 > 3 82 S 0.22222222222222 0.11111111111111 0.59445769606829 32.065 > 4 83 S 0.55555555555556 0.11111111111111 0.59445769606829 32.065 > 4 84 S 0.88888888888889 0.11111111111111 0.59445769606829 32.065 > 4 85 S 0.22222222222222 0.44444444444444 0.59445769606829 32.065 > 4 86 S 0.55555555555556 0.44444444444444 0.59445769606829 32.065 > 4 87 S 0.88888888888889 0.44444444444444 0.59445769606829 32.065 > 4 88 S 0.22222222222222 0.77777777777778 0.59445769606829 32.065 > 4 89 S 0.55555555555556 0.77777777777778 0.59445769606829 32.065 > 4 90 S 0.88888888888889 0.77777777777778 0.59445769606829 32.065 > 4 91 S 0.00000000000000 0.00000000000000 0.73887563726504 32.065 > 3 92 S 0.33333333333333 0.00000000000000 0.73887563726504 32.065 > 3 93 S 0.66666666666667 0.00000000000000 0.73887563726504 32.065 > 3 94 S 0.00000000000000 0.33333333333333 0.73887563726504 32.065 > 3 95 S 0.33333333333333 0.33333333333333 0.73887563726504 32.065 > 3 96 S 0.66666666666667 0.33333333333333 0.73887563726504 32.065 > 3 97 S 0.00000000000000 0.66666666666667 0.73887563726504 32.065 > 3 98 S 0.33333333333333 0.66666666666667 0.73887563726504 32.065 > 3 99 S 0.66666666666667 0.66666666666667 0.73887563726504 32.065 > 3 100 S 0.11111111111111 0.22222222222222 0.92779102940163 32.065 > 4 101 S 0.44444444444444 0.22222222222222 0.92779102940163 32.065 > 4 102 S 0.77777777777778 0.22222222222222 0.92779102940163 32.065 > 4 103 S 0.11111111111111 0.55555555555556 0.92779102940163 32.065 > 4 104 S 0.44444444444444 0.55555555555556 0.92779102940163 32.065 > 4 105 S 0.77777777777778 0.55555555555556 0.92779102940163 32.065 > 4 106 S 0.11111111111111 0.88888888888889 0.92779102940163 32.065 > 4 107 S 0.44444444444444 0.88888888888889 0.92779102940163 32.065 > 4 108 S 0.77777777777778 0.88888888888889 0.92779102940163 32.065 > 4 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 18.0696900 0.0000000 0.0000000 0.0000000 18.0696900 0.0000000 0.0000000 0.0000000 43.7161835 -------------------------- Born effective charges -------------------------- 1 Tl 1.5628853 0.0000000 0.0000000 -0.0000000 1.5628853 0.0000000 0.0000000 0.0000000 3.3694871 2 Bi 6.3514739 0.0000000 0.0000000 0.0000000 6.3514739 0.0000000 0.0000000 0.0000000 1.3574276 3 S -3.9571796 -0.0000000 0.0000000 -0.0000000 -3.9571796 0.0000000 0.0000000 0.0000000 -2.3634574 4 S -3.9571796 -0.0000000 0.0000000 -0.0000000 -3.9571796 0.0000000 0.0000000 0.0000000 -2.3634574 ---------------------------------------------------------------------------- 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: 221 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): 0.005 Solver_block: 80 / 80 - Time: 0.136 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.143 --------------------------------- 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: 221 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 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 11:02:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:02:08]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.040323908697156 1.177981557920330 7.222499919999992 b -2.040323908697152 1.177981557920330 7.222499919999992 c 0.000000000000002 -2.355963115840663 7.222499919999992 Atomic positions (fractional): 1 Tl 0.50000000000000 0.50000000000000 0.50000000000000 204.383 2 Bi 0.00000000000000 0.00000000000000 0.00000000000000 208.980 3 S 0.73887563726504 0.73887563726504 0.73887563726504 32.065 4 S 0.26112436273496 0.26112436273496 0.26112436273496 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.241943452182923 0.000000000000000 0.000000000000000 b -6.120971726091462 10.601834021282979 0.000000000000000 c 0.000000000000000 0.000000000000000 21.667499759999998 Atomic positions (fractional): 1 Tl 0.11111111111111 0.22222222222222 0.16666666666667 204.383 > 1 2 Tl 0.44444444444444 0.22222222222222 0.16666666666667 204.383 > 1 3 Tl 0.77777777777778 0.22222222222222 0.16666666666667 204.383 > 1 4 Tl 0.11111111111111 0.55555555555556 0.16666666666667 204.383 > 1 5 Tl 0.44444444444444 0.55555555555556 0.16666666666667 204.383 > 1 6 Tl 0.77777777777778 0.55555555555556 0.16666666666667 204.383 > 1 7 Tl 0.11111111111111 0.88888888888889 0.16666666666667 204.383 > 1 8 Tl 0.44444444444444 0.88888888888889 0.16666666666667 204.383 > 1 9 Tl 0.77777777777778 0.88888888888889 0.16666666666667 204.383 > 1 10 Tl 0.00000000000000 0.00000000000000 0.50000000000000 204.383 > 1 11 Tl 0.33333333333333 0.00000000000000 0.50000000000000 204.383 > 1 12 Tl 0.66666666666667 0.00000000000000 0.50000000000000 204.383 > 1 13 Tl 0.00000000000000 0.33333333333333 0.50000000000000 204.383 > 1 14 Tl 0.33333333333333 0.33333333333333 0.50000000000000 204.383 > 1 15 Tl 0.66666666666667 0.33333333333333 0.50000000000000 204.383 > 1 16 Tl 0.00000000000000 0.66666666666667 0.50000000000000 204.383 > 1 17 Tl 0.33333333333333 0.66666666666667 0.50000000000000 204.383 > 1 18 Tl 0.66666666666667 0.66666666666667 0.50000000000000 204.383 > 1 19 Tl 0.22222222222222 0.11111111111111 0.83333333333333 204.383 > 1 20 Tl 0.55555555555556 0.11111111111111 0.83333333333333 204.383 > 1 21 Tl 0.88888888888889 0.11111111111111 0.83333333333333 204.383 > 1 22 Tl 0.22222222222222 0.44444444444444 0.83333333333333 204.383 > 1 23 Tl 0.55555555555556 0.44444444444444 0.83333333333333 204.383 > 1 24 Tl 0.88888888888889 0.44444444444444 0.83333333333333 204.383 > 1 25 Tl 0.22222222222222 0.77777777777778 0.83333333333333 204.383 > 1 26 Tl 0.55555555555556 0.77777777777778 0.83333333333333 204.383 > 1 27 Tl 0.88888888888889 0.77777777777778 0.83333333333333 204.383 > 1 28 Bi 0.00000000000000 0.00000000000000 0.00000000000000 208.980 > 28 29 Bi 0.33333333333333 0.00000000000000 0.00000000000000 208.980 > 28 30 Bi 0.66666666666667 0.00000000000000 0.00000000000000 208.980 > 28 31 Bi 0.00000000000000 0.33333333333333 0.00000000000000 208.980 > 28 32 Bi 0.33333333333333 0.33333333333333 0.00000000000000 208.980 > 28 33 Bi 0.66666666666667 0.33333333333333 0.00000000000000 208.980 > 28 34 Bi 0.00000000000000 0.66666666666667 0.00000000000000 208.980 > 28 35 Bi 0.33333333333333 0.66666666666667 0.00000000000000 208.980 > 28 36 Bi 0.66666666666667 0.66666666666667 0.00000000000000 208.980 > 28 37 Bi 0.22222222222222 0.11111111111111 0.33333333333333 208.980 > 28 38 Bi 0.55555555555556 0.11111111111111 0.33333333333333 208.980 > 28 39 Bi 0.88888888888889 0.11111111111111 0.33333333333333 208.980 > 28 40 Bi 0.22222222222222 0.44444444444444 0.33333333333333 208.980 > 28 41 Bi 0.55555555555556 0.44444444444444 0.33333333333333 208.980 > 28 42 Bi 0.88888888888889 0.44444444444444 0.33333333333333 208.980 > 28 43 Bi 0.22222222222222 0.77777777777778 0.33333333333333 208.980 > 28 44 Bi 0.55555555555556 0.77777777777778 0.33333333333333 208.980 > 28 45 Bi 0.88888888888889 0.77777777777778 0.33333333333333 208.980 > 28 46 Bi 0.11111111111111 0.22222222222222 0.66666666666667 208.980 > 28 47 Bi 0.44444444444444 0.22222222222222 0.66666666666667 208.980 > 28 48 Bi 0.77777777777778 0.22222222222222 0.66666666666667 208.980 > 28 49 Bi 0.11111111111111 0.55555555555556 0.66666666666667 208.980 > 28 50 Bi 0.44444444444444 0.55555555555556 0.66666666666667 208.980 > 28 51 Bi 0.77777777777778 0.55555555555556 0.66666666666667 208.980 > 28 52 Bi 0.11111111111111 0.88888888888889 0.66666666666667 208.980 > 28 53 Bi 0.44444444444444 0.88888888888889 0.66666666666667 208.980 > 28 54 Bi 0.77777777777778 0.88888888888889 0.66666666666667 208.980 > 28 55 S 0.22222222222222 0.11111111111111 0.07220897059837 32.065 > 55 56 S 0.55555555555556 0.11111111111111 0.07220897059837 32.065 > 55 57 S 0.88888888888889 0.11111111111111 0.07220897059837 32.065 > 55 58 S 0.22222222222222 0.44444444444444 0.07220897059837 32.065 > 55 59 S 0.55555555555556 0.44444444444444 0.07220897059837 32.065 > 55 60 S 0.88888888888889 0.44444444444444 0.07220897059837 32.065 > 55 61 S 0.22222222222222 0.77777777777778 0.07220897059837 32.065 > 55 62 S 0.55555555555556 0.77777777777778 0.07220897059837 32.065 > 55 63 S 0.88888888888889 0.77777777777778 0.07220897059837 32.065 > 55 64 S 0.00000000000000 0.00000000000000 0.26112436273496 32.065 > 64 65 S 0.33333333333333 0.00000000000000 0.26112436273496 32.065 > 64 66 S 0.66666666666667 0.00000000000000 0.26112436273496 32.065 > 64 67 S 0.00000000000000 0.33333333333333 0.26112436273496 32.065 > 64 68 S 0.33333333333333 0.33333333333333 0.26112436273496 32.065 > 64 69 S 0.66666666666667 0.33333333333333 0.26112436273496 32.065 > 64 70 S 0.00000000000000 0.66666666666667 0.26112436273496 32.065 > 64 71 S 0.33333333333333 0.66666666666667 0.26112436273496 32.065 > 64 72 S 0.66666666666667 0.66666666666667 0.26112436273496 32.065 > 64 73 S 0.11111111111111 0.22222222222222 0.40554230393171 32.065 > 55 74 S 0.44444444444444 0.22222222222222 0.40554230393171 32.065 > 55 75 S 0.77777777777778 0.22222222222222 0.40554230393171 32.065 > 55 76 S 0.11111111111111 0.55555555555556 0.40554230393171 32.065 > 55 77 S 0.44444444444444 0.55555555555556 0.40554230393171 32.065 > 55 78 S 0.77777777777778 0.55555555555556 0.40554230393171 32.065 > 55 79 S 0.11111111111111 0.88888888888889 0.40554230393171 32.065 > 55 80 S 0.44444444444444 0.88888888888889 0.40554230393171 32.065 > 55 81 S 0.77777777777778 0.88888888888889 0.40554230393171 32.065 > 55 82 S 0.22222222222222 0.11111111111111 0.59445769606829 32.065 > 64 83 S 0.55555555555556 0.11111111111111 0.59445769606829 32.065 > 64 84 S 0.88888888888889 0.11111111111111 0.59445769606829 32.065 > 64 85 S 0.22222222222222 0.44444444444444 0.59445769606829 32.065 > 64 86 S 0.55555555555556 0.44444444444444 0.59445769606829 32.065 > 64 87 S 0.88888888888889 0.44444444444444 0.59445769606829 32.065 > 64 88 S 0.22222222222222 0.77777777777778 0.59445769606829 32.065 > 64 89 S 0.55555555555556 0.77777777777778 0.59445769606829 32.065 > 64 90 S 0.88888888888889 0.77777777777778 0.59445769606829 32.065 > 64 91 S 0.00000000000000 0.00000000000000 0.73887563726504 32.065 > 55 92 S 0.33333333333333 0.00000000000000 0.73887563726504 32.065 > 55 93 S 0.66666666666667 0.00000000000000 0.73887563726504 32.065 > 55 94 S 0.00000000000000 0.33333333333333 0.73887563726504 32.065 > 55 95 S 0.33333333333333 0.33333333333333 0.73887563726504 32.065 > 55 96 S 0.66666666666667 0.33333333333333 0.73887563726504 32.065 > 55 97 S 0.00000000000000 0.66666666666667 0.73887563726504 32.065 > 55 98 S 0.33333333333333 0.66666666666667 0.73887563726504 32.065 > 55 99 S 0.66666666666667 0.66666666666667 0.73887563726504 32.065 > 55 100 S 0.11111111111111 0.22222222222222 0.92779102940163 32.065 > 64 101 S 0.44444444444444 0.22222222222222 0.92779102940163 32.065 > 64 102 S 0.77777777777778 0.22222222222222 0.92779102940163 32.065 > 64 103 S 0.11111111111111 0.55555555555556 0.92779102940163 32.065 > 64 104 S 0.44444444444444 0.55555555555556 0.92779102940163 32.065 > 64 105 S 0.77777777777778 0.55555555555556 0.92779102940163 32.065 > 64 106 S 0.11111111111111 0.88888888888889 0.92779102940163 32.065 > 64 107 S 0.44444444444444 0.88888888888889 0.92779102940163 32.065 > 64 108 S 0.77777777777778 0.88888888888889 0.92779102940163 32.065 > 64 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 18.0696900 0.0000000 0.0000000 0.0000000 18.0696900 0.0000000 0.0000000 0.0000000 43.7161835 -------------------------- Born effective charges -------------------------- 1 Tl 1.5628853 0.0000000 0.0000000 -0.0000000 1.5628853 0.0000000 0.0000000 0.0000000 3.3694871 2 Bi 6.3514739 0.0000000 0.0000000 0.0000000 6.3514739 0.0000000 0.0000000 0.0000000 1.3574276 3 S -3.9571796 -0.0000000 0.0000000 -0.0000000 -3.9571796 0.0000000 0.0000000 0.0000000 -2.3634574 4 S -3.9571796 -0.0000000 0.0000000 -0.0000000 -3.9571796 0.0000000 0.0000000 0.0000000 -2.3634574 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 28, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 55, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyz) 0.00000000 (yyz) 0.00000000 (yzy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 11:02:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:02:13]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.040323908697156 1.177981557920330 7.222499919999992 b -2.040323908697152 1.177981557920330 7.222499919999992 c 0.000000000000002 -2.355963115840663 7.222499919999992 Atomic positions (fractional): 1 Tl 0.50000000000000 0.50000000000000 0.50000000000000 204.383 2 Bi 0.00000000000000 0.00000000000000 0.00000000000000 208.980 3 S 0.73887563726504 0.73887563726504 0.73887563726504 32.065 4 S 0.26112436273496 0.26112436273496 0.26112436273496 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.241943452182923 0.000000000000000 0.000000000000000 b -6.120971726091462 10.601834021282979 0.000000000000000 c 0.000000000000000 0.000000000000000 21.667499759999998 Atomic positions (fractional): 1 Tl 0.11111111111111 0.22222222222222 0.16666666666667 204.383 > 1 2 Tl 0.44444444444444 0.22222222222222 0.16666666666667 204.383 > 1 3 Tl 0.77777777777778 0.22222222222222 0.16666666666667 204.383 > 1 4 Tl 0.11111111111111 0.55555555555556 0.16666666666667 204.383 > 1 5 Tl 0.44444444444444 0.55555555555556 0.16666666666667 204.383 > 1 6 Tl 0.77777777777778 0.55555555555556 0.16666666666667 204.383 > 1 7 Tl 0.11111111111111 0.88888888888889 0.16666666666667 204.383 > 1 8 Tl 0.44444444444444 0.88888888888889 0.16666666666667 204.383 > 1 9 Tl 0.77777777777778 0.88888888888889 0.16666666666667 204.383 > 1 10 Tl 0.00000000000000 0.00000000000000 0.50000000000000 204.383 > 1 11 Tl 0.33333333333333 0.00000000000000 0.50000000000000 204.383 > 1 12 Tl 0.66666666666667 0.00000000000000 0.50000000000000 204.383 > 1 13 Tl 0.00000000000000 0.33333333333333 0.50000000000000 204.383 > 1 14 Tl 0.33333333333333 0.33333333333333 0.50000000000000 204.383 > 1 15 Tl 0.66666666666667 0.33333333333333 0.50000000000000 204.383 > 1 16 Tl 0.00000000000000 0.66666666666667 0.50000000000000 204.383 > 1 17 Tl 0.33333333333333 0.66666666666667 0.50000000000000 204.383 > 1 18 Tl 0.66666666666667 0.66666666666667 0.50000000000000 204.383 > 1 19 Tl 0.22222222222222 0.11111111111111 0.83333333333333 204.383 > 1 20 Tl 0.55555555555556 0.11111111111111 0.83333333333333 204.383 > 1 21 Tl 0.88888888888889 0.11111111111111 0.83333333333333 204.383 > 1 22 Tl 0.22222222222222 0.44444444444444 0.83333333333333 204.383 > 1 23 Tl 0.55555555555556 0.44444444444444 0.83333333333333 204.383 > 1 24 Tl 0.88888888888889 0.44444444444444 0.83333333333333 204.383 > 1 25 Tl 0.22222222222222 0.77777777777778 0.83333333333333 204.383 > 1 26 Tl 0.55555555555556 0.77777777777778 0.83333333333333 204.383 > 1 27 Tl 0.88888888888889 0.77777777777778 0.83333333333333 204.383 > 1 28 Bi 0.00000000000000 0.00000000000000 0.00000000000000 208.980 > 28 29 Bi 0.33333333333333 0.00000000000000 0.00000000000000 208.980 > 28 30 Bi 0.66666666666667 0.00000000000000 0.00000000000000 208.980 > 28 31 Bi 0.00000000000000 0.33333333333333 0.00000000000000 208.980 > 28 32 Bi 0.33333333333333 0.33333333333333 0.00000000000000 208.980 > 28 33 Bi 0.66666666666667 0.33333333333333 0.00000000000000 208.980 > 28 34 Bi 0.00000000000000 0.66666666666667 0.00000000000000 208.980 > 28 35 Bi 0.33333333333333 0.66666666666667 0.00000000000000 208.980 > 28 36 Bi 0.66666666666667 0.66666666666667 0.00000000000000 208.980 > 28 37 Bi 0.22222222222222 0.11111111111111 0.33333333333333 208.980 > 28 38 Bi 0.55555555555556 0.11111111111111 0.33333333333333 208.980 > 28 39 Bi 0.88888888888889 0.11111111111111 0.33333333333333 208.980 > 28 40 Bi 0.22222222222222 0.44444444444444 0.33333333333333 208.980 > 28 41 Bi 0.55555555555556 0.44444444444444 0.33333333333333 208.980 > 28 42 Bi 0.88888888888889 0.44444444444444 0.33333333333333 208.980 > 28 43 Bi 0.22222222222222 0.77777777777778 0.33333333333333 208.980 > 28 44 Bi 0.55555555555556 0.77777777777778 0.33333333333333 208.980 > 28 45 Bi 0.88888888888889 0.77777777777778 0.33333333333333 208.980 > 28 46 Bi 0.11111111111111 0.22222222222222 0.66666666666667 208.980 > 28 47 Bi 0.44444444444444 0.22222222222222 0.66666666666667 208.980 > 28 48 Bi 0.77777777777778 0.22222222222222 0.66666666666667 208.980 > 28 49 Bi 0.11111111111111 0.55555555555556 0.66666666666667 208.980 > 28 50 Bi 0.44444444444444 0.55555555555556 0.66666666666667 208.980 > 28 51 Bi 0.77777777777778 0.55555555555556 0.66666666666667 208.980 > 28 52 Bi 0.11111111111111 0.88888888888889 0.66666666666667 208.980 > 28 53 Bi 0.44444444444444 0.88888888888889 0.66666666666667 208.980 > 28 54 Bi 0.77777777777778 0.88888888888889 0.66666666666667 208.980 > 28 55 S 0.22222222222222 0.11111111111111 0.07220897059837 32.065 > 55 56 S 0.55555555555556 0.11111111111111 0.07220897059837 32.065 > 55 57 S 0.88888888888889 0.11111111111111 0.07220897059837 32.065 > 55 58 S 0.22222222222222 0.44444444444444 0.07220897059837 32.065 > 55 59 S 0.55555555555556 0.44444444444444 0.07220897059837 32.065 > 55 60 S 0.88888888888889 0.44444444444444 0.07220897059837 32.065 > 55 61 S 0.22222222222222 0.77777777777778 0.07220897059837 32.065 > 55 62 S 0.55555555555556 0.77777777777778 0.07220897059837 32.065 > 55 63 S 0.88888888888889 0.77777777777778 0.07220897059837 32.065 > 55 64 S 0.00000000000000 0.00000000000000 0.26112436273496 32.065 > 64 65 S 0.33333333333333 0.00000000000000 0.26112436273496 32.065 > 64 66 S 0.66666666666667 0.00000000000000 0.26112436273496 32.065 > 64 67 S 0.00000000000000 0.33333333333333 0.26112436273496 32.065 > 64 68 S 0.33333333333333 0.33333333333333 0.26112436273496 32.065 > 64 69 S 0.66666666666667 0.33333333333333 0.26112436273496 32.065 > 64 70 S 0.00000000000000 0.66666666666667 0.26112436273496 32.065 > 64 71 S 0.33333333333333 0.66666666666667 0.26112436273496 32.065 > 64 72 S 0.66666666666667 0.66666666666667 0.26112436273496 32.065 > 64 73 S 0.11111111111111 0.22222222222222 0.40554230393171 32.065 > 55 74 S 0.44444444444444 0.22222222222222 0.40554230393171 32.065 > 55 75 S 0.77777777777778 0.22222222222222 0.40554230393171 32.065 > 55 76 S 0.11111111111111 0.55555555555556 0.40554230393171 32.065 > 55 77 S 0.44444444444444 0.55555555555556 0.40554230393171 32.065 > 55 78 S 0.77777777777778 0.55555555555556 0.40554230393171 32.065 > 55 79 S 0.11111111111111 0.88888888888889 0.40554230393171 32.065 > 55 80 S 0.44444444444444 0.88888888888889 0.40554230393171 32.065 > 55 81 S 0.77777777777778 0.88888888888889 0.40554230393171 32.065 > 55 82 S 0.22222222222222 0.11111111111111 0.59445769606829 32.065 > 64 83 S 0.55555555555556 0.11111111111111 0.59445769606829 32.065 > 64 84 S 0.88888888888889 0.11111111111111 0.59445769606829 32.065 > 64 85 S 0.22222222222222 0.44444444444444 0.59445769606829 32.065 > 64 86 S 0.55555555555556 0.44444444444444 0.59445769606829 32.065 > 64 87 S 0.88888888888889 0.44444444444444 0.59445769606829 32.065 > 64 88 S 0.22222222222222 0.77777777777778 0.59445769606829 32.065 > 64 89 S 0.55555555555556 0.77777777777778 0.59445769606829 32.065 > 64 90 S 0.88888888888889 0.77777777777778 0.59445769606829 32.065 > 64 91 S 0.00000000000000 0.00000000000000 0.73887563726504 32.065 > 55 92 S 0.33333333333333 0.00000000000000 0.73887563726504 32.065 > 55 93 S 0.66666666666667 0.00000000000000 0.73887563726504 32.065 > 55 94 S 0.00000000000000 0.33333333333333 0.73887563726504 32.065 > 55 95 S 0.33333333333333 0.33333333333333 0.73887563726504 32.065 > 55 96 S 0.66666666666667 0.33333333333333 0.73887563726504 32.065 > 55 97 S 0.00000000000000 0.66666666666667 0.73887563726504 32.065 > 55 98 S 0.33333333333333 0.66666666666667 0.73887563726504 32.065 > 55 99 S 0.66666666666667 0.66666666666667 0.73887563726504 32.065 > 55 100 S 0.11111111111111 0.22222222222222 0.92779102940163 32.065 > 64 101 S 0.44444444444444 0.22222222222222 0.92779102940163 32.065 > 64 102 S 0.77777777777778 0.22222222222222 0.92779102940163 32.065 > 64 103 S 0.11111111111111 0.55555555555556 0.92779102940163 32.065 > 64 104 S 0.44444444444444 0.55555555555556 0.92779102940163 32.065 > 64 105 S 0.77777777777778 0.55555555555556 0.92779102940163 32.065 > 64 106 S 0.11111111111111 0.88888888888889 0.92779102940163 32.065 > 64 107 S 0.44444444444444 0.88888888888889 0.92779102940163 32.065 > 64 108 S 0.77777777777778 0.88888888888889 0.92779102940163 32.065 > 64 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 18.0696900 0.0000000 0.0000000 0.0000000 18.0696900 0.0000000 0.0000000 0.0000000 43.7161835 -------------------------- Born effective charges -------------------------- 1 Tl 1.5628853 0.0000000 0.0000000 -0.0000000 1.5628853 0.0000000 0.0000000 0.0000000 3.3694871 2 Bi 6.3514739 0.0000000 0.0000000 0.0000000 6.3514739 0.0000000 0.0000000 0.0000000 1.3574276 3 S -3.9571796 -0.0000000 0.0000000 -0.0000000 -3.9571796 0.0000000 0.0000000 0.0000000 -2.3634574 4 S -3.9571796 -0.0000000 0.0000000 -0.0000000 -3.9571796 0.0000000 0.0000000 0.0000000 -2.3634574 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyz) 0.00000000 (yyz) 0.00000000 (yzy) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 14 14 14 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.88, Number of G-points: 313, Lambda: 0.47 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/288) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.305 ( 0.000 0.000 0.000) 0.000 1.305 ( 0.000 0.000 0.000) 0.000 1.534 ( 0.000 0.000 0.000) 0.000 2.821 ( 0.000 0.000 0.000) 0.000 2.821 ( 0.000 0.000 0.000) 0.000 4.621 ( 0.000 0.000 0.000) 0.000 6.372 ( 0.000 0.000 0.000) 0.000 6.372 ( 0.000 0.000 0.000) 0.000 7.211 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/288) ======================= q-point: ( 0.07 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.258 ( 13.371 7.720 -16.913) 22.900 0.309 ( 15.329 8.850 -18.043) 25.275 0.685 ( 23.101 13.337 21.273) 34.119 1.325 ( 1.536 0.887 -0.389) 1.816 1.338 ( 2.927 1.690 0.194) 3.386 1.739 ( 12.764 7.369 11.763) 18.857 2.989 ( 13.808 7.972 -0.983) 15.975 4.694 ( 6.620 3.822 3.106) 8.252 5.856 ( 6.803 3.928 -65.065) 65.538 6.330 ( -3.752 -2.166 1.850) 4.711 6.362 ( 0.475 0.274 0.171) 0.574 7.148 ( -5.046 -2.914 0.456) 5.845 ======================= Grid point 2 (3/288) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.516 ( 12.712 7.340 -11.202) 18.465 0.595 ( 13.670 7.892 -14.565) 21.478 1.141 ( 9.411 5.434 10.789) 15.313 1.363 ( 1.692 0.977 -0.629) 2.052 1.517 ( 13.564 7.831 7.522) 17.375 2.064 ( 10.486 6.054 3.947) 12.736 3.398 ( 20.424 11.792 -4.434) 23.997 4.880 ( 4.443 2.565 8.246) 9.712 5.688 ( -5.784 -3.340 -29.670) 30.413 6.215 ( -6.619 -3.822 3.243) 8.302 6.459 ( 7.860 4.538 -2.626) 9.448 7.006 ( -7.027 -4.057 2.283) 8.429 ======================= Grid point 3 (4/288) ======================= q-point: ( 0.21 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.770 ( 11.290 6.518 -6.460) 14.549 0.845 ( 11.193 6.462 -11.078) 17.022 1.269 ( 2.478 1.431 0.790) 2.968 1.401 ( 1.799 1.039 -0.256) 2.093 1.947 ( 17.884 10.325 10.279) 23.067 2.217 ( 2.715 1.567 -0.658) 3.203 3.843 ( 18.297 10.564 -9.788) 23.285 4.729 ( -17.283 -9.978 -11.191) 22.880 5.613 ( 5.049 2.915 -6.066) 8.414 6.061 ( -7.098 -4.098 4.216) 9.217 6.626 ( 3.722 2.149 -2.647) 5.047 6.864 ( -3.464 -2.000 1.287) 4.202 ======================= Grid point 4 (5/288) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( 8.013 4.626 -4.053) 10.101 1.041 ( 8.445 4.876 -8.493) 12.931 1.304 ( 1.073 0.620 -2.830) 3.090 1.451 ( 2.575 1.487 0.650) 3.044 2.184 ( -2.479 -1.431 3.502) 4.523 2.400 ( 15.705 9.067 3.129) 18.402 4.138 ( 9.737 5.622 -14.247) 18.150 4.224 ( -18.678 -10.784 -10.822) 24.130 5.706 ( 2.747 1.586 -10.009) 10.500 5.942 ( -3.712 -2.143 4.618) 6.300 6.481 ( -13.135 -7.584 2.317) 15.343 6.942 ( 7.206 4.160 -6.093) 10.313 ======================= Grid point 5 (6/288) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( 4.034 2.329 -2.671) 5.369 1.184 ( 5.230 3.019 -5.131) 7.924 1.330 ( 3.529 2.038 -4.398) 5.995 1.524 ( 3.231 1.866 1.163) 3.908 2.086 ( -6.991 -4.036 6.409) 10.307 2.738 ( 12.330 7.119 -0.903) 14.266 3.919 ( -4.267 -2.463 0.650) 4.969 4.204 ( 0.686 0.396 -14.053) 14.076 5.651 ( -2.883 -1.665 -19.390) 19.674 5.927 ( 0.909 0.525 3.402) 3.560 6.100 ( -19.500 -11.258 1.028) 22.540 7.073 ( 5.415 3.126 -6.587) 9.082 ======================= Grid point 6 (7/288) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( 1.493 0.862 -1.248) 2.129 1.230 ( 0.706 0.408 -2.374) 2.510 1.476 ( 9.071 5.237 -4.189) 11.281 1.594 ( 2.179 1.258 0.759) 2.628 1.905 ( -9.893 -5.712 6.442) 13.114 2.958 ( 6.763 3.904 -2.101) 8.086 4.041 ( 11.530 6.657 11.059) 17.308 4.134 ( -2.235 -1.290 -8.543) 8.924 5.429 ( -12.674 -7.317 -22.353) 26.718 5.669 ( -12.840 -7.413 1.235) 14.877 5.976 ( 1.913 1.104 1.429) 2.630 7.148 ( 2.596 1.499 -4.104) 5.082 ======================= Grid point 7 (8/288) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( 0.000 0.000 0.000) 0.000 1.232 ( 0.000 0.000 -0.000) 0.000 1.622 ( 0.000 0.000 0.000) 0.000 1.670 ( -0.000 -0.000 0.000) 0.000 1.705 ( 0.000 0.000 0.000) 0.000 3.034 ( 0.000 0.000 0.000) 0.000 4.088 ( 0.000 0.000 0.000) 0.000 4.303 ( 0.000 0.000 0.000) 0.000 5.110 ( -0.000 -0.000 -0.000) 0.000 5.547 ( 0.000 0.000 0.000) 0.000 6.003 ( 0.000 0.000 -0.000) 0.000 7.171 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 16 (9/288) ======================= q-point: ( 0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.430 ( -0.000 13.527 17.169) 21.858 0.471 ( 0.000 23.905 -11.015) 26.321 0.526 ( -0.000 21.439 13.951) 25.579 1.325 ( 0.000 1.783 -0.500) 1.852 1.333 ( 0.000 2.760 -0.885) 2.898 1.791 ( -0.000 11.939 20.400) 23.637 3.069 ( -0.000 18.138 14.649) 23.315 4.666 ( 0.000 12.568 -8.393) 15.113 5.714 ( 0.000 37.907 -80.705) 89.163 6.286 ( -0.000 -9.166 2.621) 9.534 6.306 ( 0.000 -5.390 -2.992) 6.165 7.143 ( 0.000 -6.457 -0.511) 6.477 ======================= Grid point 17 (10/288) ======================= q-point: ( 0.14 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.345 ( -10.606 13.575 13.495) 21.883 0.689 ( 2.016 21.363 -12.296) 24.731 1.050 ( 14.906 10.237 13.597) 22.624 1.349 ( 0.927 1.685 -0.946) 2.143 1.428 ( 7.860 8.200 1.298) 11.433 2.027 ( 5.211 10.185 10.739) 15.691 3.362 ( 5.003 23.636 9.685) 26.029 4.880 ( 7.416 8.839 10.650) 15.701 5.710 ( -10.603 11.052 -39.307) 42.185 6.174 ( -0.770 -13.124 8.217) 15.503 6.371 ( 9.894 4.594 -11.113) 15.572 7.038 ( -2.703 -7.890 -0.346) 8.347 ======================= Grid point 18 (11/288) ======================= q-point: ( 0.21 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.473 ( 8.898 5.597 3.056) 10.947 0.892 ( 3.034 16.047 -7.399) 17.929 1.248 ( 2.590 2.079 1.694) 3.728 1.383 ( 1.426 1.484 -0.728) 2.183 1.826 ( 16.623 15.984 8.334) 24.521 2.185 ( 2.529 3.118 1.535) 4.299 3.748 ( 8.910 22.560 0.385) 24.259 4.944 ( -14.875 -1.404 0.554) 14.951 5.523 ( 1.759 1.072 -15.063) 15.203 6.034 ( -1.789 -14.337 7.767) 16.404 6.593 ( 7.476 10.983 -7.727) 15.370 6.903 ( -3.729 -7.084 0.112) 8.006 ======================= Grid point 19 (12/288) ======================= q-point: ( 0.29 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.716 ( 13.160 1.538 -1.802) 13.372 1.061 ( 2.738 11.051 -4.819) 12.363 1.286 ( 0.942 0.706 -2.534) 2.794 1.428 ( 2.083 1.849 0.146) 2.789 2.206 ( -0.583 -0.532 1.538) 1.729 2.286 ( 13.886 14.982 4.368) 20.889 4.076 ( 5.572 17.180 -7.916) 19.720 4.475 ( -24.215 -6.505 -10.156) 27.052 5.580 ( 5.711 -7.111 -4.924) 10.365 5.907 ( -1.037 -8.944 5.578) 10.592 6.669 ( -8.042 0.683 -3.173) 8.672 6.856 ( 5.099 3.599 -4.736) 7.835 ======================= Grid point 20 (13/288) ======================= q-point: ( 0.36 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( 11.299 -0.070 -3.496) 11.828 1.173 ( 1.683 5.868 -3.192) 6.889 1.299 ( 1.436 1.609 -4.275) 4.788 1.497 ( 2.921 2.647 1.113) 4.096 2.165 ( -3.085 -2.328 3.582) 5.269 2.647 ( 9.713 12.779 1.160) 16.093 4.036 ( -12.514 -2.951 -3.042) 13.212 4.237 ( -3.062 12.909 -12.664) 18.341 5.522 ( 4.251 -15.029 -6.579) 16.947 5.821 ( -2.545 -6.382 -2.339) 7.258 6.442 ( -15.459 1.022 -2.077) 15.631 6.983 ( 5.777 3.807 -6.790) 9.694 ======================= Grid point 21 (14/288) ======================= q-point: ( 0.43 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( 7.163 -0.466 -3.104) 7.820 1.215 ( 0.587 1.213 -2.329) 2.691 1.374 ( 5.317 3.845 -2.999) 7.214 1.582 ( 2.599 3.249 1.169) 4.322 2.060 ( -8.226 -1.521 4.130) 9.329 2.891 ( 6.333 7.839 -1.078) 10.135 3.978 ( 4.248 4.809 4.408) 7.785 4.219 ( -6.213 9.380 -9.030) 14.427 5.415 ( 2.925 -12.425 -9.476) 15.897 5.599 ( -10.181 -14.097 -8.678) 19.435 6.221 ( -12.345 8.409 -0.504) 14.945 7.080 ( 4.719 0.708 -4.219) 6.369 ======================= Grid point 22 (15/288) ======================= q-point: ( 0.50 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( 2.722 -0.704 -2.077) 3.496 1.225 ( 0.523 0.350 -1.201) 1.355 1.500 ( 6.202 -0.663 -1.922) 6.527 1.656 ( 1.632 3.522 -0.054) 3.883 1.898 ( -10.655 2.949 1.949) 11.226 3.021 ( 2.626 2.708 -0.315) 3.785 4.127 ( 0.245 6.512 -8.033) 10.343 4.274 ( 4.529 5.060 8.373) 10.781 5.186 ( -12.352 -1.237 -17.554) 21.500 5.375 ( 6.738 -15.115 5.871) 17.559 6.163 ( -6.647 9.854 0.389) 11.893 7.138 ( 3.108 -1.411 0.675) 3.480 ======================= Grid point 23 (16/288) ======================= q-point: (-0.43 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( 0.286 -1.965 -0.427) 2.031 1.234 ( 0.377 -0.094 0.655) 0.761 1.512 ( -0.887 -6.136 0.592) 6.228 1.653 ( -3.977 -0.633 -0.664) 4.081 1.868 ( 0.360 11.365 -4.018) 12.059 3.031 ( -2.959 -0.879 1.765) 3.556 4.158 ( -12.309 -7.213 -10.854) 17.926 4.183 ( 0.104 8.947 -0.300) 8.952 5.260 ( 17.052 3.096 -1.947) 17.440 5.442 ( 8.073 -3.078 17.985) 19.953 6.157 ( -5.633 10.334 -0.762) 11.794 7.164 ( 0.623 -2.219 5.789) 6.231 ======================= Grid point 24 (17/288) ======================= q-point: (-0.36 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( -2.152 -6.023 2.182) 6.758 1.235 ( -0.604 -0.518 1.581) 1.770 1.402 ( -4.445 -3.272 2.532) 6.072 1.570 ( -4.116 -0.901 -1.153) 4.369 2.006 ( 4.726 7.463 -6.658) 11.062 2.906 ( -10.258 -2.285 1.960) 10.690 3.923 ( -3.187 1.131 -5.523) 6.476 4.297 ( 0.095 9.066 5.781) 10.753 5.473 ( 16.052 -17.137 3.987) 23.817 5.733 ( 8.522 7.977 15.902) 19.726 6.208 ( -0.563 15.361 -3.049) 15.671 7.146 ( -3.026 -2.328 8.853) 9.641 ======================= Grid point 25 (18/288) ======================= q-point: (-0.29 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( -4.735 -10.950 4.924) 12.906 1.199 ( -4.270 0.157 2.047) 4.738 1.341 ( -2.256 -0.312 3.828) 4.454 1.487 ( -3.496 -1.139 -0.862) 3.776 2.120 ( 4.707 2.883 -5.258) 7.623 2.639 ( -17.541 -2.698 -0.232) 17.749 4.085 ( 13.244 10.824 6.792) 18.403 4.350 ( -7.337 6.480 9.774) 13.833 5.560 ( 14.009 -18.023 1.676) 22.889 5.873 ( -1.057 1.703 7.272) 7.543 6.433 ( 7.345 14.881 -3.762) 17.016 7.063 ( -7.247 -2.213 8.751) 11.575 ======================= Grid point 26 (19/288) ======================= q-point: (-0.21 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( -7.119 -14.468 6.176) 17.267 1.100 ( -8.593 1.084 3.187) 9.229 1.309 ( -2.734 -0.361 1.923) 3.362 1.427 ( -2.231 -0.692 -0.185) 2.343 2.174 ( -5.539 0.925 -4.163) 6.990 2.262 ( -15.197 -3.888 -0.850) 15.710 4.161 ( -18.107 -0.617 8.926) 20.197 4.596 ( 18.432 16.511 13.936) 28.400 5.613 ( 7.236 -12.246 1.662) 14.321 5.857 ( 2.961 -3.122 -4.251) 6.049 6.670 ( 5.823 9.356 -2.962) 11.411 6.911 ( -9.377 -2.282 5.428) 11.073 ======================= Grid point 27 (20/288) ======================= q-point: (-0.14 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.491 ( -8.176 -14.227 6.489) 17.646 0.951 ( -11.544 2.308 4.699) 12.676 1.231 ( -6.637 -0.932 -1.382) 6.843 1.388 ( -1.761 -0.403 0.179) 1.816 1.757 ( -23.750 -2.942 -5.163) 24.482 2.178 ( -5.716 -1.736 0.054) 5.974 3.770 ( -25.540 -2.447 4.794) 26.101 4.953 ( -1.087 5.640 2.918) 6.443 5.668 ( 9.206 3.096 13.963) 17.009 5.945 ( 14.264 -8.196 -10.179) 19.346 6.653 ( -12.723 1.536 1.607) 12.916 6.896 ( 7.256 1.624 -1.473) 7.580 ======================= Grid point 28 (21/288) ======================= q-point: (-0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.269 ( -8.151 0.000 0.000) 8.151 0.766 ( -14.069 0.000 0.000) 14.069 0.961 ( -22.891 0.000 0.000) 22.891 1.354 ( -1.895 0.000 0.000) 1.895 1.423 ( -9.704 0.000 0.000) 9.704 1.969 ( -15.838 0.000 0.000) 15.838 3.313 ( -24.373 0.000 0.000) 24.373 4.817 ( -10.617 0.000 0.000) 10.617 5.962 ( 7.463 -0.000 -0.000) 7.463 6.097 ( 14.070 -0.000 -0.000) 14.070 6.460 ( -8.863 0.000 0.000) 8.863 7.040 ( 7.934 -0.000 -0.000) 7.934 ======================= Grid point 31 (22/288) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( -0.000 10.118 12.539) 16.112 0.823 ( 0.000 15.631 -2.666) 15.857 1.022 ( -0.000 17.664 9.467) 20.041 1.356 ( 0.000 1.771 -1.517) 2.332 1.440 ( 0.000 10.799 -1.207) 10.867 2.125 ( -0.000 8.727 8.359) 12.085 3.641 ( -0.000 24.732 18.191) 30.701 4.930 ( -0.000 12.033 7.578) 14.220 5.993 ( 0.000 14.724 -35.394) 38.335 6.088 ( -0.000 -3.178 12.880) 13.266 6.127 ( 0.000 -9.049 -5.152) 10.413 6.956 ( 0.000 -10.418 -2.486) 10.710 ======================= Grid point 32 (23/288) ======================= q-point: ( 0.21 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( -13.160 12.754 13.957) 23.036 0.983 ( 1.458 12.923 -3.179) 13.388 1.236 ( 2.672 3.964 1.906) 5.146 1.377 ( 0.920 1.838 -1.167) 2.364 1.737 ( 14.361 19.629 3.211) 24.533 2.208 ( 0.163 2.932 2.328) 3.747 3.942 ( 0.881 23.747 11.212) 26.276 5.097 ( 1.155 2.110 9.951) 10.237 5.638 ( -20.901 1.473 -19.525) 28.640 5.937 ( -0.891 -14.628 10.496) 18.026 6.489 ( 15.540 11.724 -8.483) 21.235 6.839 ( -0.530 -8.877 -3.640) 9.609 ======================= Grid point 33 (24/288) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( -4.631 11.728 10.989) 16.726 1.114 ( 1.577 8.942 -1.516) 9.206 1.271 ( 0.286 0.784 -3.454) 3.554 1.419 ( 1.565 2.593 0.064) 3.029 2.159 ( 6.904 4.040 -1.429) 8.126 2.265 ( 7.421 12.982 4.324) 15.566 4.205 ( 1.106 18.113 1.270) 18.191 4.851 ( -23.870 -3.549 -3.861) 24.439 5.395 ( -1.052 -11.832 -1.126) 11.932 5.868 ( 0.606 -3.685 5.033) 6.268 6.669 ( 2.533 -8.463 -7.508) 11.594 6.829 ( 3.414 10.685 -5.426) 12.461 ======================= Grid point 34 (25/288) ======================= q-point: ( 0.36 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( 1.935 7.901 5.629) 9.892 1.198 ( 0.603 3.756 -0.531) 3.841 1.271 ( 1.407 1.476 -5.824) 6.170 1.486 ( 2.291 3.568 1.337) 4.446 2.169 ( 0.552 -2.493 1.370) 2.898 2.630 ( 9.668 15.277 1.173) 18.117 4.223 ( -11.153 -1.927 -3.777) 11.931 4.526 ( -14.121 17.954 -3.417) 23.096 5.236 ( 3.330 -22.512 3.534) 23.029 5.843 ( -3.244 0.092 -5.080) 6.029 6.554 ( -1.888 -8.152 -6.504) 10.598 6.949 ( 0.903 8.514 -8.827) 12.297 ======================= Grid point 35 (26/288) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( 4.501 4.871 2.010) 6.930 1.215 ( 0.120 0.651 -1.168) 1.342 1.328 ( 3.477 3.263 -3.165) 5.723 1.576 ( 2.720 3.987 1.900) 5.187 2.154 ( -2.056 -0.169 2.117) 2.956 2.886 ( 5.014 9.678 -0.309) 10.904 4.031 ( -5.045 0.876 2.339) 5.630 4.485 ( -12.048 16.089 -3.690) 20.435 5.121 ( 7.249 -19.799 3.474) 21.369 5.693 ( -10.234 -1.092 -14.316) 17.632 6.413 ( -4.982 -2.283 -5.230) 7.576 6.996 ( 2.329 2.243 -8.335) 8.940 ======================= Grid point 36 (27/288) ======================= q-point: ( 0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( 3.080 2.520 -0.947) 4.090 1.221 ( 0.200 0.837 -1.143) 1.431 1.417 ( 3.860 1.419 -0.554) 4.150 1.661 ( 1.852 2.937 1.346) 3.724 2.099 ( -6.724 4.704 -0.081) 8.207 3.011 ( 2.078 3.788 0.102) 4.321 4.073 ( 5.647 0.100 0.539) 5.673 4.423 ( -8.953 9.805 3.198) 13.657 5.133 ( 8.997 -8.031 7.190) 14.040 5.379 ( -16.317 0.125 -19.945) 25.770 6.328 ( -3.784 3.224 -3.697) 6.195 7.039 ( 5.050 -2.421 -2.592) 6.171 ======================= Grid point 37 (28/288) ======================= q-point: (-0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( 0.685 0.218 -2.072) 2.193 1.231 ( 0.181 0.647 0.054) 0.674 1.460 ( 1.140 -2.211 -0.197) 2.496 1.686 ( -1.116 -0.210 -0.656) 1.311 2.048 ( -6.809 10.890 -2.233) 13.036 3.051 ( 0.345 -0.161 1.143) 1.205 4.108 ( 2.376 -9.394 -8.465) 12.867 4.374 ( -7.979 8.662 3.666) 12.334 5.113 ( -3.609 -1.538 -8.013) 8.921 5.366 ( 11.150 9.631 12.441) 19.284 6.300 ( -2.718 4.412 -4.275) 6.718 7.107 ( 5.199 -3.191 4.978) 7.873 ======================= Grid point 38 (29/288) ======================= q-point: (-0.36 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( -2.106 -3.627 -0.756) 4.262 1.235 ( -0.140 -0.087 0.402) 0.435 1.420 ( -1.557 -2.996 -0.204) 3.382 1.628 ( -3.602 -0.978 -1.794) 4.141 2.063 ( -3.145 9.575 -3.461) 10.656 3.024 ( -3.808 -0.625 1.322) 4.079 3.948 ( -2.342 -6.019 -9.893) 11.814 4.417 ( -1.337 12.899 0.764) 12.991 5.110 ( 7.656 -10.493 5.028) 13.928 5.730 ( 10.070 11.484 13.510) 20.392 6.304 ( 0.173 5.500 -5.159) 7.543 7.173 ( 1.875 -1.736 9.290) 9.635 ======================= Grid point 39 (30/288) ======================= q-point: (-0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( -4.870 -6.590 2.216) 8.488 1.231 ( -0.293 -0.315 0.097) 0.441 1.376 ( -1.262 -0.890 1.066) 1.876 1.543 ( -4.182 -0.948 -0.847) 4.371 2.088 ( -0.030 3.873 -4.107) 5.646 2.894 ( -11.648 0.043 0.605) 11.664 3.987 ( 10.187 5.681 -1.012) 11.708 4.541 ( -0.896 12.394 0.754) 12.449 5.133 ( 9.514 -18.446 5.016) 21.352 5.952 ( 0.838 4.649 9.512) 10.621 6.414 ( 6.545 7.243 -4.657) 10.816 7.182 ( -3.405 -0.211 8.692) 9.337 ======================= Grid point 40 (31/288) ======================= q-point: (-0.21 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( -8.565 -6.165 2.721) 10.899 1.204 ( -3.115 -0.150 0.309) 3.134 1.353 ( -1.623 -0.186 1.282) 2.077 1.467 ( -3.245 -0.506 -0.149) 3.287 2.134 ( 3.754 0.929 -1.938) 4.326 2.612 ( -20.316 -0.284 -0.366) 20.321 4.323 ( 11.215 5.139 4.993) 13.309 4.612 ( -2.862 14.507 4.848) 15.561 5.156 ( 16.651 -18.721 -2.848) 25.216 5.941 ( -6.608 0.888 2.900) 7.271 6.599 ( 8.241 4.062 -2.236) 9.455 7.098 ( -8.882 0.320 4.558) 9.989 ======================= Grid point 41 (32/288) ======================= q-point: (-0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.602 ( -10.528 0.000 0.000) 10.528 1.115 ( -6.829 0.000 0.000) 6.829 1.313 ( -3.288 0.000 0.000) 3.288 1.419 ( -2.116 0.000 0.000) 2.116 2.194 ( -26.096 0.000 0.000) 26.096 2.198 ( 2.095 -0.000 -0.000) 2.095 4.191 ( -20.703 0.000 0.000) 20.703 4.912 ( 13.560 -0.000 -0.000) 13.560 5.383 ( 21.525 -0.000 -0.000) 21.525 5.817 ( -5.597 0.000 0.000) 5.597 6.753 ( 6.973 -0.000 -0.000) 6.973 6.916 ( -12.097 0.000 0.000) 12.097 ======================= Grid point 46 (33/288) ======================= q-point: ( 0.21 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( -0.000 6.915 7.472) 10.181 1.072 ( -0.000 9.543 1.214) 9.620 1.269 ( -0.000 5.130 1.852) 5.454 1.378 ( 0.000 1.777 -1.863) 2.575 1.831 ( -0.000 24.125 3.087) 24.322 2.222 ( 0.000 -0.704 -0.427) 0.823 4.181 ( -0.000 16.541 8.927) 18.796 5.101 ( -0.000 -6.437 9.557) 11.523 5.816 ( -0.000 -3.172 0.131) 3.175 5.921 ( 0.000 -6.587 -3.388) 7.407 6.320 ( 0.000 4.165 -8.250) 9.241 6.787 ( 0.000 2.244 -3.506) 4.163 ======================= Grid point 47 (34/288) ======================= q-point: ( 0.29 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( -7.409 7.672 7.759) 13.189 1.171 ( 0.807 6.272 1.126) 6.424 1.285 ( -2.000 2.201 -3.185) 4.357 1.420 ( 1.917 3.125 -0.179) 3.671 2.098 ( 3.680 2.812 -0.985) 4.735 2.280 ( 6.558 14.658 2.206) 16.209 4.331 ( 1.158 7.728 -0.136) 7.816 4.967 ( -3.110 -19.342 6.711) 20.708 5.581 ( -22.795 1.255 -1.515) 22.879 5.857 ( 0.999 2.557 3.862) 4.738 6.402 ( 10.210 -13.275 -11.379) 20.247 6.896 ( 2.394 15.038 -3.265) 15.573 ======================= Grid point 48 (35/288) ======================= q-point: ( 0.36 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( -4.801 7.058 6.701) 10.852 1.213 ( -0.612 -0.055 0.154) 0.633 1.268 ( -0.339 4.091 -4.668) 6.217 1.495 ( 2.051 4.350 1.231) 4.964 2.104 ( 3.206 -4.954 0.265) 5.907 2.626 ( 8.820 16.836 0.793) 19.023 4.327 ( -4.636 -4.218 -3.981) 7.425 4.768 ( 1.459 -12.686 4.266) 13.463 5.225 ( -20.606 2.540 6.478) 21.749 5.889 ( -2.105 3.355 -4.445) 5.954 6.349 ( 6.172 -14.408 -13.211) 20.499 7.044 ( -1.371 12.420 -6.331) 14.008 ======================= Grid point 49 (36/288) ======================= q-point: ( 0.43 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( -0.539 6.202 6.128) 8.736 1.205 ( 0.708 -0.176 -0.757) 1.051 1.304 ( 1.328 3.191 -2.964) 4.553 1.582 ( 2.170 4.159 2.268) 5.211 2.142 ( 3.802 -0.983 1.699) 4.279 2.887 ( 5.419 9.751 -0.974) 11.198 4.128 ( -7.194 -8.139 3.569) 11.434 4.797 ( 9.854 -7.596 2.672) 12.725 4.950 ( -19.507 8.632 6.444) 22.284 5.808 ( -7.190 2.139 -11.992) 14.145 6.278 ( 6.795 -12.416 -12.247) 18.717 7.046 ( -5.764 6.810 -9.700) 13.179 ======================= Grid point 50 (37/288) ======================= q-point: ( 0.50 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( -0.198 6.173 4.559) 7.677 1.219 ( 0.727 0.701 -1.049) 1.456 1.367 ( 3.503 1.685 -0.829) 3.974 1.660 ( 1.827 2.173 2.152) 3.562 2.210 ( 0.640 5.704 0.082) 5.740 3.007 ( 1.978 2.308 -0.928) 3.178 3.986 ( -0.319 -10.983 7.640) 13.383 4.742 ( -13.020 5.586 5.796) 15.307 4.977 ( 7.962 7.322 5.806) 12.276 5.596 ( -13.683 2.111 -17.587) 22.383 6.273 ( 7.457 -7.214 -7.810) 12.987 6.963 ( -2.562 0.267 -9.028) 9.388 ======================= Grid point 51 (38/288) ======================= q-point: ( 0.57 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( -2.141 4.220 1.597) 4.994 1.236 ( 0.425 1.104 -0.464) 1.271 1.424 ( 1.725 -0.541 0.110) 1.811 1.690 ( 0.080 -0.543 0.328) 0.639 2.268 ( -4.829 12.455 -2.171) 13.534 3.023 ( 1.618 -3.229 0.412) 3.635 3.907 ( 3.132 -15.403 3.901) 16.195 4.641 ( -9.653 10.065 6.178) 15.253 5.210 ( -3.185 3.435 -2.433) 5.278 5.367 ( -0.115 11.664 -3.958) 12.317 6.301 ( 2.871 -2.437 -6.627) 7.622 6.958 ( 6.722 -3.920 -1.373) 7.902 ======================= Grid point 52 (39/288) ======================= q-point: (-0.36 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( -4.695 0.767 -0.152) 4.759 1.247 ( -0.390 0.707 0.115) 0.816 1.414 ( -0.793 -1.926 -0.537) 2.151 1.661 ( -1.998 -1.021 -1.269) 2.578 2.261 ( -8.325 10.436 -2.334) 13.553 3.030 ( 2.166 -2.230 0.782) 3.205 3.805 ( 2.614 -12.542 -3.450) 13.268 4.634 ( -6.777 12.325 4.629) 14.808 5.033 ( -5.125 -3.408 -3.735) 7.199 5.700 ( 11.236 13.096 8.328) 19.160 6.288 ( 1.570 -1.426 -6.434) 6.775 7.082 ( 8.892 -2.526 5.051) 10.534 ======================= Grid point 53 (40/288) ======================= q-point: (-0.29 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( -5.471 -2.291 -0.485) 5.951 1.238 ( -0.968 0.242 -0.152) 1.009 1.383 ( -0.670 -0.713 -0.178) 0.995 1.601 ( -3.449 -0.579 -0.820) 3.592 2.184 ( -7.156 3.623 -1.342) 8.132 3.027 ( -2.977 0.247 0.282) 3.001 3.805 ( 9.774 -2.934 -3.670) 10.844 4.672 ( -2.675 10.591 -0.136) 10.924 4.947 ( 0.170 -8.588 3.997) 9.474 5.973 ( 5.412 5.164 5.271) 9.151 6.328 ( 5.953 0.795 -3.646) 7.026 7.203 ( 3.788 -0.381 4.581) 5.956 ======================= Grid point 54 (41/288) ======================= q-point: (-0.21 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( -5.995 0.000 0.000) 5.995 1.227 ( -0.322 0.000 0.000) 0.322 1.371 ( -0.578 0.000 0.000) 0.578 1.529 ( -4.025 0.000 0.000) 4.025 2.112 ( -1.799 0.000 0.000) 1.799 2.899 ( -12.057 0.000 0.000) 12.057 4.058 ( 18.736 -0.000 -0.000) 18.736 4.786 ( 8.565 -0.000 -0.000) 8.565 4.839 ( -6.209 0.000 0.000) 6.209 6.032 ( -1.681 0.000 0.000) 1.681 6.465 ( 8.563 -0.000 -0.000) 8.563 7.217 ( -3.108 0.000 0.000) 3.108 ======================= Grid point 61 (42/288) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( -0.000 1.847 0.921) 2.064 1.222 ( -0.000 4.077 2.169) 4.618 1.342 ( 0.000 3.083 -2.735) 4.121 1.423 ( -0.000 3.542 0.047) 3.543 2.029 ( 0.000 -9.072 -2.367) 9.375 2.427 ( -0.000 23.481 3.648) 23.763 4.318 ( 0.000 -3.643 -8.467) 9.217 4.773 ( -0.000 -26.888 8.132) 28.090 5.903 ( -0.000 5.106 4.049) 6.517 5.911 ( -0.000 7.677 -0.071) 7.677 6.054 ( 0.000 -17.246 -12.107) 21.072 7.031 ( 0.000 17.252 -2.339) 17.410 ======================= Grid point 62 (43/288) ======================= q-point: ( 0.36 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( -2.654 -0.237 -0.904) 2.814 1.245 ( -1.477 0.765 1.202) 2.053 1.323 ( -2.420 3.505 -3.353) 5.421 1.499 ( 2.837 4.217 0.622) 5.121 1.951 ( 4.661 -10.799 -0.514) 11.773 2.704 ( 3.583 19.785 2.186) 20.225 4.245 ( 3.324 -9.491 -10.019) 14.195 4.520 ( 1.509 -26.678 6.261) 27.445 5.654 ( -16.102 -1.206 0.372) 16.151 5.959 ( -2.122 4.301 -3.419) 5.890 6.062 ( 4.955 -5.968 -8.708) 11.662 7.189 ( -1.110 14.805 -3.160) 15.179 ======================= Grid point 63 (44/288) ======================= q-point: ( 0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( 1.138 -0.599 0.869) 1.552 1.222 ( -1.403 1.142 0.284) 1.831 1.324 ( -0.707 2.712 -1.825) 3.345 1.588 ( 2.338 3.070 1.749) 4.237 1.995 ( 9.560 -5.773 0.765) 11.194 2.924 ( 2.191 12.132 0.229) 12.330 4.107 ( -3.481 -17.008 4.948) 18.052 4.474 ( 15.497 -10.821 -1.395) 18.952 5.398 ( -14.412 2.390 2.716) 14.859 5.895 ( -3.474 -1.573 -7.711) 8.602 6.016 ( -0.526 -2.981 -13.057) 13.403 7.226 ( -7.392 9.438 -6.145) 13.472 ======================= Grid point 64 (45/288) ======================= q-point: ( 0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( 5.018 2.553 4.027) 6.922 1.224 ( -0.486 2.328 0.131) 2.382 1.339 ( 0.770 1.575 -1.051) 2.044 1.651 ( 1.865 0.550 2.204) 2.939 2.154 ( 10.646 1.436 0.066) 10.743 3.020 ( -1.077 4.480 -0.514) 4.636 3.893 ( -2.229 -17.500 8.852) 19.738 4.736 ( 14.790 3.937 2.910) 15.579 5.223 ( -12.100 6.798 8.503) 16.276 5.775 ( -8.150 1.772 -12.313) 14.872 5.938 ( 7.503 -9.888 -14.563) 19.135 7.093 ( -11.659 3.864 -8.429) 14.897 ======================= Grid point 65 (46/288) ======================= q-point: ( 0.57 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( 1.358 0.642 -0.815) 1.708 1.262 ( -1.485 4.942 3.319) 6.135 1.381 ( 2.685 -0.162 0.076) 2.691 1.675 ( 0.821 -1.211 0.800) 1.667 2.385 ( 7.801 10.637 -0.420) 13.198 2.968 ( -3.639 -4.927 -0.887) 6.189 3.748 ( 0.471 -13.937 7.450) 15.811 4.918 ( -5.610 8.502 5.522) 11.586 5.264 ( 2.659 9.906 10.718) 14.835 5.555 ( -12.172 4.747 -13.436) 18.741 6.032 ( 17.352 -10.429 -9.542) 22.381 6.902 ( -6.720 -0.760 -6.425) 9.328 ======================= Grid point 66 (47/288) ======================= q-point: (-0.36 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( -0.896 1.479 -0.117) 1.733 1.259 ( -3.624 1.956 1.957) 4.560 1.399 ( 0.514 -1.469 -0.620) 1.675 1.669 ( -0.284 -0.856 -0.327) 0.959 2.533 ( -8.969 13.019 -1.512) 15.882 2.887 ( 7.480 -9.126 0.172) 11.801 3.665 ( 0.722 -7.984 2.574) 8.419 4.886 ( -7.210 7.584 8.094) 13.230 5.157 ( -13.848 -1.751 -9.677) 16.984 5.666 ( 9.117 10.789 5.478) 15.150 6.165 ( 8.063 -5.269 -5.737) 11.211 6.886 ( 8.488 -2.009 -0.441) 8.733 ======================= Grid point 67 (48/288) ======================= q-point: (-0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( -8.536 0.000 0.000) 8.536 1.256 ( -0.513 0.000 0.000) 0.513 1.389 ( -0.419 0.000 0.000) 0.419 1.645 ( -1.990 0.000 0.000) 1.990 2.375 ( -11.881 0.000 0.000) 11.881 3.001 ( 5.996 -0.000 -0.000) 5.996 3.654 ( 3.558 -0.000 -0.000) 3.558 4.872 ( -11.890 0.000 0.000) 11.890 4.901 ( -0.408 0.000 0.000) 0.408 5.895 ( 8.371 -0.000 -0.000) 8.371 6.222 ( 4.718 -0.000 -0.000) 4.718 7.073 ( 10.948 -0.000 -0.000) 10.948 ======================= Grid point 76 (49/288) ======================= q-point: ( 0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( 0.000 -1.679 -2.688) 3.170 1.257 ( 0.000 -1.552 -1.149) 1.931 1.359 ( 0.000 1.309 -6.208) 6.344 1.507 ( -0.000 3.852 0.755) 3.925 1.770 ( -0.000 -13.630 1.836) 13.753 2.885 ( -0.000 18.057 2.128) 18.181 4.020 ( 0.000 -14.199 -16.504) 21.772 4.258 ( -0.000 -26.977 7.159) 27.911 5.587 ( 0.000 -18.420 -14.172) 23.241 6.027 ( 0.000 4.524 -4.440) 6.339 6.106 ( -0.000 9.398 5.656) 10.969 7.348 ( 0.000 14.452 -0.981) 14.485 ======================= Grid point 77 (50/288) ======================= q-point: ( 0.43 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( -1.735 -2.766 -1.714) 3.688 1.225 ( 0.684 -2.370 -2.963) 3.855 1.346 ( -0.047 0.700 -3.441) 3.512 1.575 ( 2.379 2.080 0.945) 3.298 1.739 ( 9.212 -8.988 2.183) 13.054 3.040 ( -0.420 11.703 0.766) 11.735 3.950 ( 6.884 -13.388 -2.707) 15.295 4.051 ( 9.070 -19.176 -2.486) 21.358 5.368 ( 0.106 -15.003 -12.670) 19.637 5.991 ( -6.362 2.289 -3.046) 7.416 6.146 ( -6.842 8.070 0.407) 10.588 7.431 ( -5.390 10.377 -1.728) 11.820 ======================= Grid point 78 (51/288) ======================= q-point: ( 0.50 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( 5.918 1.415 3.601) 7.070 1.223 ( 1.756 -0.505 -1.751) 2.531 1.347 ( 0.248 0.612 -1.900) 2.011 1.618 ( 2.099 -1.270 2.065) 3.207 1.903 ( 14.816 -2.791 -0.619) 15.090 3.115 ( -1.940 6.216 0.874) 6.570 3.786 ( -2.414 -15.383 6.161) 16.746 4.366 ( 30.477 -0.323 -1.728) 30.528 5.218 ( 3.126 -11.781 -10.506) 16.091 5.855 ( -9.884 1.088 0.917) 9.986 6.037 ( -12.128 5.485 -6.210) 14.688 7.342 ( -12.575 5.189 -3.799) 14.124 ======================= Grid point 79 (52/288) ======================= q-point: ( 0.57 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( 2.967 0.397 0.293) 3.008 1.286 ( 4.092 2.136 1.248) 4.782 1.355 ( 0.375 0.442 -0.244) 0.629 1.643 ( 1.657 -1.350 0.878) 2.310 2.184 ( 18.341 1.205 -0.442) 18.386 3.076 ( -7.758 1.227 0.320) 7.861 3.653 ( -0.620 -8.277 3.872) 9.159 4.936 ( 18.546 11.590 5.389) 22.524 5.217 ( 16.663 -9.895 -2.290) 19.515 5.696 ( -7.745 -1.165 -0.443) 7.845 5.813 ( -13.139 1.657 -8.670) 15.828 7.102 ( -15.618 1.205 -3.501) 16.051 ======================= Grid point 80 (53/288) ======================= q-point: (-0.36 -0.64 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( 1.624 -0.000 -0.000) 1.624 1.345 ( -2.033 0.000 0.000) 2.033 1.362 ( 2.467 -0.000 -0.000) 2.467 1.658 ( 0.779 -0.000 -0.000) 0.779 2.533 ( 18.838 -0.000 -0.000) 18.838 2.876 ( -14.179 0.000 0.000) 14.179 3.620 ( 0.569 -0.000 -0.000) 0.569 5.053 ( -4.337 0.000 0.000) 4.337 5.382 ( -11.522 0.000 0.000) 11.522 5.652 ( -1.247 0.000 0.000) 1.247 5.804 ( 25.585 -0.000 -0.000) 25.585 6.869 ( -8.360 0.000 0.000) 8.360 ======================= Grid point 92 (54/288) ======================= q-point: ( 0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( 0.000 -2.135 -2.505) 3.291 1.115 ( 0.000 -8.361 -7.358) 11.138 1.326 ( 0.000 -0.998 -2.465) 2.659 1.572 ( -0.000 2.158 0.192) 2.167 1.594 ( -0.000 -5.526 4.544) 7.154 3.145 ( 0.000 6.823 -0.356) 6.832 3.646 ( 0.000 -11.024 -12.283) 16.504 3.851 ( -0.000 -15.673 4.837) 16.402 5.191 ( 0.000 -11.350 -9.694) 14.926 6.050 ( 0.000 1.526 -5.102) 5.325 6.295 ( -0.000 5.781 3.028) 6.526 7.579 ( -0.000 8.120 0.249) 8.124 ======================= Grid point 93 (55/288) ======================= q-point: ( 0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( 3.528 0.352 2.416) 4.290 1.118 ( 6.114 -4.314 -5.122) 9.068 1.321 ( 1.069 -0.740 -1.447) 1.945 1.577 ( 1.222 -1.607 1.731) 2.659 1.666 ( 8.619 -0.299 0.251) 8.627 3.184 ( -0.311 2.798 0.200) 2.823 3.724 ( -1.702 -7.770 3.629) 8.743 3.776 ( 26.109 -4.713 -6.263) 27.260 5.073 ( -0.368 -6.160 -5.807) 8.474 6.000 ( -5.250 0.715 -2.127) 5.709 6.271 ( -8.468 3.143 0.685) 9.058 7.571 ( -8.037 3.763 -0.401) 8.884 ======================= Grid point 94 (56/288) ======================= q-point: (-0.43 -0.57 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( 4.813 -0.000 -0.000) 4.813 1.199 ( 6.779 -0.000 -0.000) 6.779 1.338 ( 1.478 -0.000 -0.000) 1.478 1.602 ( 2.115 -0.000 -0.000) 2.115 1.876 ( 15.533 -0.000 -0.000) 15.533 3.180 ( -2.631 0.000 0.000) 2.631 3.643 ( -2.494 0.000 0.000) 2.494 4.373 ( 41.510 -0.000 -0.000) 41.510 5.028 ( 0.716 -0.000 -0.000) 0.716 5.874 ( -9.150 0.000 0.000) 9.150 6.078 ( -14.797 0.000 0.000) 14.797 7.382 ( -14.701 0.000 0.000) 14.701 ======================= Grid point 109 (57/288) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( -0.000 0.000 0.000) 0.000 1.016 ( 0.000 0.000 -0.000) 0.000 1.305 ( -0.000 0.000 0.000) 0.000 1.561 ( -0.000 0.000 0.000) 0.000 1.595 ( -0.000 0.000 0.000) 0.000 3.195 ( 0.000 0.000 -0.000) 0.000 3.484 ( -0.000 0.000 0.000) 0.000 3.712 ( -0.000 0.000 0.000) 0.000 5.041 ( -0.000 0.000 0.000) 0.000 6.045 ( 0.000 0.000 -0.000) 0.000 6.365 ( -0.000 0.000 0.000) 0.000 7.664 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 218 (58/288) ======================= q-point: ( 0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.195 ( -0.000 0.000 19.204) 19.204 0.195 ( -0.000 0.000 19.204) 19.204 0.262 ( -0.000 0.000 26.928) 26.928 1.302 ( 0.000 -0.000 -0.693) 0.693 1.302 ( 0.000 -0.000 -0.693) 0.693 2.148 ( -0.000 0.000 14.008) 14.008 2.901 ( -0.000 0.000 15.804) 15.804 2.901 ( -0.000 0.000 15.804) 15.804 4.995 ( -0.000 0.000 30.618) 30.618 6.366 ( 0.000 -0.000 -1.093) 1.093 6.366 ( 0.000 -0.000 -1.093) 1.093 7.210 ( 0.000 -0.000 -0.188) 0.188 ======================= Grid point 219 (59/288) ======================= q-point: ( 0.14 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.137 ( 11.120 6.420 -2.752) 13.132 0.202 ( 9.147 5.281 0.657) 10.583 0.892 ( 22.095 12.757 19.713) 32.242 1.318 ( 1.450 0.837 -1.100) 2.003 1.335 ( 3.778 2.181 -0.818) 4.438 1.961 ( 2.706 1.562 27.318) 27.496 3.049 ( 10.162 5.867 12.713) 17.300 4.565 ( 43.898 25.344 -42.537) 66.173 5.268 ( 12.444 7.185 -6.914) 15.947 6.325 ( 0.070 0.041 -2.604) 2.605 6.342 ( -2.932 -1.693 0.455) 3.416 7.152 ( -4.497 -2.596 0.305) 5.202 ======================= Grid point 220 (60/288) ======================= q-point: ( 0.21 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.430 ( 13.773 7.952 -5.235) 16.743 0.472 ( 13.436 7.757 -9.081) 17.977 1.225 ( 3.632 2.097 5.399) 6.837 1.353 ( 1.829 1.056 -1.202) 2.430 1.611 ( 17.688 10.212 10.910) 23.156 2.128 ( 4.642 2.680 8.224) 9.817 3.400 ( 16.012 9.245 4.665) 19.069 5.013 ( -2.807 -1.621 17.594) 17.890 5.351 ( 8.722 5.036 -35.413) 36.817 6.239 ( -5.920 -3.418 1.524) 7.003 6.420 ( 7.671 4.429 -0.717) 8.886 7.025 ( -6.345 -3.663 1.351) 7.450 ======================= Grid point 221 (61/288) ======================= q-point: ( 0.29 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( 11.896 6.868 -3.429) 14.157 0.738 ( 11.723 6.768 -9.894) 16.767 1.273 ( 0.868 0.501 -0.361) 1.066 1.396 ( 2.201 1.271 -0.585) 2.608 2.057 ( 16.217 9.363 11.247) 21.844 2.210 ( 1.664 0.961 -0.573) 2.005 3.765 ( 14.318 8.267 -5.583) 17.451 4.641 ( -21.967 -12.683 -6.151) 26.100 5.551 ( 8.144 4.702 -6.835) 11.625 6.096 ( -6.383 -3.685 2.755) 7.868 6.583 ( 4.610 2.662 -3.797) 6.539 6.881 ( -5.198 -3.001 1.826) 6.274 ======================= Grid point 222 (62/288) ======================= q-point: ( 0.36 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( 8.193 4.730 -3.058) 9.942 0.951 ( 9.462 5.463 -9.259) 14.321 1.278 ( 0.215 0.124 -2.418) 2.430 1.457 ( 3.015 1.741 0.476) 3.514 2.209 ( -1.345 -0.777 1.451) 2.125 2.439 ( 13.721 7.922 4.543) 16.482 3.994 ( 7.732 4.464 -14.370) 16.918 4.145 ( -16.352 -9.441 -4.868) 19.499 5.601 ( -1.116 -0.644 -10.750) 10.827 5.988 ( -3.384 -1.954 4.465) 5.933 6.473 ( -12.260 -7.078 -3.606) 14.609 6.899 ( 5.587 3.226 -2.297) 6.848 ======================= Grid point 223 (63/288) ======================= q-point: ( 0.43 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 4.439 2.563 -3.048) 5.963 1.125 ( 7.055 4.073 -6.658) 10.521 1.293 ( 2.978 1.719 -3.035) 4.586 1.535 ( 3.257 1.881 0.990) 3.890 2.135 ( -6.079 -3.510 3.472) 7.831 2.734 ( 10.902 6.294 0.020) 12.588 3.939 ( 0.016 0.009 2.940) 2.940 4.044 ( 1.885 1.088 -17.739) 17.872 5.467 ( -5.809 -3.354 -16.850) 18.136 5.972 ( 0.292 0.169 5.451) 5.462 6.078 ( -18.937 -10.933 -5.410) 22.526 7.032 ( 5.610 3.239 -1.574) 6.667 ======================= Grid point 224 (64/288) ======================= q-point: ( 0.50 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( 2.110 1.218 -2.568) 3.540 1.200 ( 1.862 1.075 -3.732) 4.307 1.431 ( 8.685 5.014 -4.735) 11.090 1.601 ( 1.923 1.110 0.602) 2.300 1.953 ( -9.841 -5.682 3.205) 11.807 2.944 ( 7.024 4.055 -0.687) 8.140 4.017 ( 1.469 0.848 -14.551) 14.650 4.138 ( 12.784 7.381 7.721) 16.659 5.202 ( -11.861 -6.848 -22.082) 25.984 5.681 ( -10.683 -6.168 1.105) 12.385 6.011 ( 0.909 0.525 5.385) 5.487 7.139 ( 3.421 1.975 2.195) 4.519 ======================= Grid point 225 (65/288) ======================= q-point: (-0.43 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( 0.730 0.421 -1.736) 1.930 1.227 ( 1.268 0.732 -1.130) 1.849 1.622 ( -0.309 -0.178 -0.068) 0.363 1.623 ( 9.165 5.292 -7.078) 12.732 1.727 ( -9.732 -5.619 2.054) 11.424 3.043 ( 0.943 0.545 1.888) 2.179 4.050 ( 4.736 2.734 -7.339) 9.153 4.257 ( -9.591 -5.537 -8.844) 14.173 5.072 ( 13.619 7.863 -7.012) 17.218 5.608 ( 0.815 0.470 11.309) 11.348 6.028 ( -1.159 -0.669 4.842) 5.023 7.204 ( 0.867 0.501 6.448) 6.525 ======================= Grid point 226 (66/288) ======================= q-point: (-0.36 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( -0.587 -0.339 -0.307) 0.745 1.247 ( 0.279 0.161 1.145) 1.189 1.511 ( -8.503 -4.909 2.849) 10.224 1.587 ( -2.456 -1.418 -0.684) 2.917 1.826 ( 9.881 5.705 -9.467) 14.826 2.986 ( -6.808 -3.931 3.413) 8.570 3.934 ( -8.391 -4.845 -9.910) 13.860 4.179 ( 6.593 3.807 0.530) 7.632 5.557 ( 23.253 13.425 -1.181) 26.876 5.724 ( 4.004 2.312 16.541) 17.175 5.985 ( -3.491 -2.015 3.318) 5.221 7.216 ( -2.213 -1.278 9.209) 9.557 ======================= Grid point 227 (67/288) ======================= q-point: (-0.29 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( -3.098 -1.789 1.850) 4.028 1.224 ( -3.473 -2.005 2.999) 5.007 1.376 ( -3.678 -2.123 4.624) 6.278 1.513 ( -3.274 -1.890 -1.068) 3.928 2.011 ( 8.285 4.783 -8.660) 12.904 2.753 ( -13.698 -7.908 2.193) 15.968 3.932 ( 9.576 5.529 3.553) 11.614 4.311 ( 2.198 1.269 7.105) 7.545 5.832 ( -0.028 -0.016 16.593) 16.593 5.909 ( -2.699 -1.558 0.037) 3.117 6.059 ( 19.727 11.390 -6.934) 23.811 7.154 ( -5.829 -3.365 9.224) 11.418 ======================= Grid point 228 (68/288) ======================= q-point: (-0.21 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( -7.107 -4.103 4.466) 9.343 1.113 ( -6.900 -3.984 6.076) 10.020 1.332 ( -2.269 -1.310 2.756) 3.803 1.444 ( -2.229 -1.287 -0.852) 2.712 2.143 ( 3.579 2.066 -4.550) 6.147 2.379 ( -17.162 -9.909 -1.090) 19.847 4.266 ( -9.397 -5.426 11.220) 15.609 4.353 ( 21.434 12.375 14.940) 28.910 5.794 ( -6.420 -3.706 7.672) 10.668 5.900 ( 2.947 1.702 -3.696) 5.024 6.428 ( 13.863 8.004 -8.190) 17.981 7.005 ( -8.770 -5.064 5.844) 11.692 ======================= Grid point 229 (69/288) ======================= q-point: (-0.14 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( -9.793 -5.654 8.097) 13.908 0.948 ( -9.395 -5.424 9.586) 14.477 1.262 ( -4.595 -2.653 -0.591) 5.339 1.400 ( -1.483 -0.856 -0.355) 1.749 1.864 ( -19.636 -11.337 -6.342) 23.544 2.222 ( -2.432 -1.404 0.310) 2.825 3.953 ( -19.779 -11.419 12.195) 25.891 4.853 ( 11.590 6.691 13.538) 19.036 5.679 ( -0.740 -0.427 7.585) 7.633 6.014 ( 7.364 4.251 -5.107) 9.918 6.597 ( -0.923 -0.533 -9.107) 9.169 6.856 ( -0.173 -0.100 -1.228) 1.245 ======================= Grid point 230 (70/288) ======================= q-point: (-0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.638 ( -10.627 -6.136 12.968) 17.853 0.743 ( -11.523 -6.653 14.491) 19.673 1.037 ( -15.839 -9.145 -8.834) 20.311 1.365 ( -1.589 -0.918 -0.268) 1.855 1.463 ( -10.237 -5.910 -3.645) 12.369 2.061 ( -11.809 -6.818 3.517) 14.083 3.485 ( -22.340 -12.898 12.780) 28.788 4.860 ( -8.197 -4.732 3.902) 10.238 5.921 ( 12.288 7.095 18.465) 23.288 6.176 ( 7.300 4.215 -4.560) 9.584 6.356 ( -10.705 -6.181 -26.456) 29.201 6.982 ( 7.866 4.541 -2.570) 9.439 ======================= Grid point 233 (71/288) ======================= q-point: ( 0.14 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.298 ( 0.000 29.059 -16.717) 33.525 0.591 ( -0.000 11.985 15.376) 19.495 0.744 ( -0.000 16.445 23.467) 28.655 1.314 ( 0.000 1.641 -1.856) 2.477 1.321 ( 0.000 2.571 -1.445) 2.949 2.042 ( -0.000 1.042 25.474) 25.495 3.266 ( -0.000 17.870 24.363) 30.214 4.321 ( 0.000 58.364 -47.962) 75.543 5.398 ( -0.000 17.118 19.893) 26.244 6.273 ( 0.000 -6.403 -3.702) 7.396 6.321 ( -0.000 -6.167 3.466) 7.074 7.139 ( 0.000 -6.920 -0.257) 6.925 ======================= Grid point 234 (72/288) ======================= q-point: ( 0.21 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.500 ( -14.319 14.704 15.827) 25.918 0.561 ( 2.735 24.117 -11.513) 26.864 1.175 ( 8.807 4.523 10.063) 14.117 1.336 ( 1.148 1.691 -1.682) 2.647 1.454 ( 13.401 10.188 4.470) 17.417 2.148 ( 1.163 3.383 12.028) 12.548 3.495 ( -1.838 23.348 16.465) 28.629 4.913 ( 20.816 21.978 -11.572) 32.408 5.431 ( -16.855 6.837 -4.706) 18.788 6.231 ( -0.873 -9.621 1.631) 9.797 6.328 ( 8.952 1.849 5.166) 10.500 7.035 ( -2.021 -8.982 -0.359) 9.214 ======================= Grid point 235 (73/288) ======================= q-point: ( 0.29 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.546 ( 0.312 9.596 10.942) 14.557 0.810 ( 3.580 19.161 -8.662) 21.330 1.257 ( 1.073 0.228 -0.281) 1.133 1.374 ( 1.727 1.793 -0.943) 2.663 1.911 ( 17.661 12.663 8.180) 23.220 2.207 ( 0.199 1.402 2.884) 3.213 3.776 ( 2.320 22.084 5.131) 22.791 4.952 ( -25.833 -7.751 0.464) 26.975 5.384 ( 12.791 8.187 -11.908) 19.298 6.097 ( -2.709 -11.177 4.622) 12.395 6.552 ( 6.248 7.988 0.938) 10.184 6.899 ( -2.478 -8.927 -0.787) 9.297 ======================= Grid point 236 (74/288) ======================= q-point: ( 0.36 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( 7.683 4.661 3.301) 9.573 1.005 ( 2.674 13.395 -6.366) 15.070 1.261 ( 0.518 -0.664 -2.472) 2.612 1.430 ( 2.451 2.337 0.173) 3.391 2.206 ( 1.079 -0.709 -1.005) 1.636 2.342 ( 12.038 12.877 6.308) 18.723 4.010 ( 0.227 18.018 -5.416) 18.816 4.403 ( -24.364 -6.633 -4.172) 25.593 5.519 ( 4.143 -4.900 -7.140) 9.599 5.962 ( -2.232 -10.023 5.095) 11.463 6.620 ( -6.492 1.331 -5.561) 8.651 6.824 ( 3.798 -1.056 -1.819) 4.342 ======================= Grid point 237 (75/288) ======================= q-point: ( 0.43 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( 8.814 1.987 -0.880) 9.078 1.135 ( 1.686 8.288 -4.498) 9.579 1.263 ( 1.592 0.563 -2.885) 3.342 1.508 ( 3.022 3.006 1.037) 4.387 2.189 ( -1.935 -1.846 1.361) 3.001 2.660 ( 8.497 11.401 1.548) 14.303 4.021 ( -10.413 -1.578 -0.239) 10.535 4.110 ( -5.597 15.924 -12.398) 20.943 5.441 ( -0.574 -8.420 -8.634) 12.074 5.826 ( -2.233 -14.163 2.581) 14.568 6.393 ( -14.507 1.039 -7.447) 16.340 6.936 ( 7.080 1.777 -2.770) 7.807 ======================= Grid point 238 (76/288) ======================= q-point: ( 0.50 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( 6.395 0.310 -2.937) 7.044 1.189 ( 0.366 2.395 -2.891) 3.772 1.345 ( 5.307 4.759 -2.833) 7.671 1.593 ( 2.270 3.354 0.921) 4.153 2.087 ( -7.883 -2.288 1.253) 8.303 2.884 ( 5.882 7.905 -0.163) 9.855 3.978 ( 1.451 4.860 -5.475) 7.463 4.149 ( -1.255 14.879 -3.870) 15.425 5.291 ( -7.960 -3.008 -13.349) 15.831 5.568 ( -3.070 -22.991 0.677) 23.205 6.203 ( -9.005 7.639 -2.681) 12.109 7.065 ( 6.825 -0.141 1.018) 6.901 ======================= Grid point 239 (77/288) ======================= q-point: ( 0.57 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( 3.377 -0.574 -3.779) 5.100 1.210 ( 1.000 1.413 -1.645) 2.388 1.474 ( 5.787 1.352 -3.266) 6.781 1.654 ( 0.569 3.394 -0.309) 3.455 1.905 ( -10.794 0.996 -0.511) 10.852 3.025 ( 3.291 3.169 1.160) 4.714 4.028 ( 0.905 8.055 -11.375) 13.968 4.317 ( -0.811 3.880 0.044) 3.965 5.007 ( -5.704 3.057 -16.877) 18.076 5.473 ( 8.384 -11.947 12.577) 19.267 6.168 ( -4.914 7.206 0.914) 8.769 7.174 ( 4.956 -1.278 6.156) 8.005 ======================= Grid point 240 (78/288) ======================= q-point: (-0.36 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( 1.696 -1.624 -2.860) 3.700 1.238 ( 1.019 0.476 0.105) 1.129 1.511 ( 0.669 -5.505 -0.989) 5.633 1.642 ( -3.659 -1.165 -1.625) 4.170 1.822 ( -2.504 11.471 -5.157) 12.824 3.055 ( -2.333 -1.171 2.952) 3.941 4.023 ( -8.969 -5.388 -14.096) 17.555 4.172 ( -0.952 10.270 -3.552) 10.908 5.232 ( 19.182 5.194 -3.144) 20.120 5.627 ( 10.143 -1.434 17.974) 20.688 6.155 ( -5.017 6.975 0.955) 8.645 7.244 ( 1.455 -1.704 9.786) 10.040 ======================= Grid point 241 (79/288) ======================= q-point: (-0.29 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( -0.360 -4.642 0.460) 4.678 1.247 ( -0.099 -0.990 0.867) 1.319 1.422 ( -2.759 -3.950 1.428) 5.025 1.560 ( -3.862 -0.929 -0.801) 4.052 1.932 ( 3.747 9.085 -8.207) 12.804 2.929 ( -10.489 -3.248 2.857) 11.346 3.881 ( 2.315 3.369 -2.788) 4.948 4.324 ( 3.648 9.676 -0.349) 10.347 5.514 ( 16.306 -14.887 4.247) 22.484 5.875 ( 6.669 6.288 11.566) 14.757 6.172 ( -1.627 12.470 -3.391) 13.025 7.244 ( -3.319 -2.191 10.205) 10.952 ======================= Grid point 242 (80/288) ======================= q-point: (-0.21 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( -3.600 -10.072 5.072) 11.838 1.215 ( -3.084 -0.710 1.240) 3.399 1.369 ( -1.778 -1.227 1.549) 2.658 1.482 ( -3.612 -0.785 -0.020) 3.697 2.064 ( 5.893 4.750 -5.826) 9.551 2.643 ( -18.724 -3.647 1.001) 19.102 4.168 ( 18.123 11.431 9.685) 23.514 4.422 ( -3.660 5.901 4.515) 8.283 5.573 ( 12.561 -20.534 1.474) 24.117 5.943 ( -4.970 0.150 6.026) 7.813 6.373 ( 7.436 15.878 -8.113) 19.319 7.144 ( -8.480 -2.820 7.055) 11.385 ======================= Grid point 243 (81/288) ======================= q-point: (-0.14 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( -5.866 -15.142 8.655) 18.401 1.128 ( -6.814 -0.525 2.604) 7.313 1.320 ( -3.221 -0.883 0.208) 3.346 1.425 ( -2.300 -0.419 -0.234) 2.350 2.136 ( -8.616 1.009 -3.288) 9.277 2.260 ( -12.797 -2.626 0.191) 13.065 4.246 ( -16.491 -3.546 7.817) 18.591 4.740 ( 19.154 14.128 14.589) 27.916 5.614 ( 13.581 -16.189 -1.105) 21.160 5.829 ( -4.350 -1.986 -1.370) 4.974 6.615 ( 6.009 11.822 -7.998) 15.487 6.944 ( -11.537 -3.063 0.834) 11.966 ======================= Grid point 244 (82/288) ======================= q-point: (-0.07 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.588 ( -6.133 -18.167 12.264) 22.761 0.986 ( -9.599 -1.483 2.114) 9.940 1.225 ( -7.949 -0.137 0.125) 7.951 1.386 ( -1.747 -0.312 -0.554) 1.859 1.727 ( -24.405 0.176 -1.026) 24.427 2.187 ( -5.126 -1.963 1.667) 5.737 3.840 ( -24.466 -7.707 9.057) 27.203 5.006 ( -4.383 1.396 7.685) 8.956 5.777 ( 16.962 -7.559 0.502) 18.577 5.849 ( 10.323 0.055 -2.097) 10.534 6.601 ( -15.505 4.921 -11.007) 19.642 6.873 ( 7.117 2.912 -3.034) 8.267 ======================= Grid point 248 (83/288) ======================= q-point: ( 0.21 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( 0.000 22.888 -11.380) 25.561 0.883 ( -0.000 8.321 11.123) 13.891 1.162 ( -0.000 8.898 14.595) 17.093 1.334 ( 0.000 1.875 -3.047) 3.578 1.445 ( -0.000 13.016 2.956) 13.347 2.204 ( -0.000 2.314 6.804) 7.187 3.831 ( -0.000 20.830 19.471) 28.514 4.939 ( 0.000 25.266 -7.511) 26.358 5.749 ( 0.000 8.969 -9.367) 12.968 6.077 ( 0.000 -9.273 -4.702) 10.397 6.254 ( -0.000 -3.562 20.219) 20.531 6.937 ( 0.000 -11.842 -1.154) 11.898 ======================= Grid point 249 (84/288) ======================= q-point: ( 0.29 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( -11.491 10.411 13.105) 20.302 0.927 ( 1.382 17.669 -7.381) 19.198 1.251 ( -0.068 1.113 0.573) 1.254 1.364 ( 1.553 2.266 -1.312) 3.044 1.788 ( 14.446 17.522 6.727) 23.684 2.228 ( -0.038 0.170 1.538) 1.548 4.053 ( -2.377 19.779 10.826) 22.673 5.184 ( 2.814 1.584 6.415) 7.182 5.445 ( -22.043 6.603 -17.267) 28.769 6.013 ( 0.495 -11.893 4.188) 12.618 6.478 ( 12.314 5.004 6.904) 14.978 6.808 ( -0.828 -9.882 -2.257) 10.171 ======================= Grid point 250 (85/288) ======================= q-point: ( 0.36 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( -6.304 10.267 11.721) 16.808 1.081 ( 1.182 11.995 -5.254) 13.148 1.239 ( -0.338 -0.884 -2.666) 2.829 1.420 ( 1.971 3.191 0.181) 3.755 2.146 ( 5.549 2.815 -1.232) 6.343 2.309 ( 8.742 11.820 4.510) 15.377 4.219 ( -2.184 14.768 1.573) 15.011 4.825 ( -26.695 -1.538 -1.083) 26.761 5.366 ( 1.277 -5.629 -4.612) 7.389 5.922 ( -1.310 -7.653 5.266) 9.382 6.595 ( 3.381 -11.539 -6.598) 13.716 6.787 ( 1.344 8.262 -2.959) 8.878 ======================= Grid point 251 (86/288) ======================= q-point: ( 0.43 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( -1.026 8.054 7.674) 11.172 1.181 ( 0.868 7.607 -3.998) 8.637 1.223 ( 1.219 -1.023 -2.591) 3.041 1.500 ( 2.502 4.121 1.342) 5.004 2.180 ( 1.334 -1.548 0.725) 2.168 2.641 ( 9.211 13.574 0.854) 16.426 4.196 ( -9.684 -0.600 -1.600) 9.834 4.502 ( -17.991 20.234 -1.346) 27.109 5.258 ( 2.381 -17.155 0.735) 17.335 5.808 ( -5.428 -6.180 -1.631) 8.385 6.472 ( -0.652 -9.944 -9.797) 13.975 6.867 ( 0.771 6.735 -7.491) 10.103 ======================= Grid point 252 (87/288) ======================= q-point: ( 0.50 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( 1.363 5.968 3.966) 7.294 1.204 ( -0.510 0.967 -1.147) 1.584 1.297 ( 4.676 4.484 -2.975) 7.129 1.594 ( 2.496 4.366 1.646) 5.292 2.167 ( -2.459 -0.474 0.502) 2.554 2.883 ( 5.231 9.219 -0.200) 10.601 4.049 ( -5.005 2.817 1.487) 5.933 4.452 ( -13.220 21.604 -2.919) 25.496 5.168 ( 6.627 -16.401 5.652) 18.570 5.566 ( -12.994 -7.003 -10.874) 18.334 6.337 ( -3.044 -1.890 -9.763) 10.400 6.929 ( 5.429 0.161 -5.121) 7.465 ======================= Grid point 253 (88/288) ======================= q-point: ( 0.57 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( 0.569 3.654 -0.248) 3.707 1.209 ( 0.355 1.391 -1.171) 1.852 1.408 ( 3.923 2.425 -1.212) 4.768 1.672 ( 1.172 2.959 0.874) 3.300 2.088 ( -7.319 3.734 -2.110) 8.483 3.017 ( 2.548 4.002 1.036) 4.856 4.059 ( 0.226 2.874 -2.444) 3.779 4.460 ( -7.193 13.170 3.261) 15.356 5.181 ( -14.956 0.993 -16.292) 22.138 5.230 ( 9.698 -8.396 8.830) 15.573 6.275 ( -1.986 2.378 -6.369) 7.082 7.035 ( 9.130 -3.499 1.436) 9.882 ======================= Grid point 254 (89/288) ======================= q-point: (-0.36 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( -0.286 1.404 -2.749) 3.100 1.231 ( 0.607 1.101 -0.049) 1.258 1.455 ( 0.996 -1.605 -0.925) 2.103 1.677 ( -2.052 -0.655 -1.093) 2.415 2.017 ( -7.050 10.807 -3.897) 13.478 3.068 ( 0.592 -0.360 2.204) 2.311 4.012 ( -2.854 -6.646 -10.431) 12.693 4.399 ( -10.851 10.450 0.916) 15.093 5.058 ( 3.576 3.225 -3.210) 5.787 5.483 ( 13.688 6.123 10.788) 18.472 6.252 ( -1.436 2.297 -4.623) 5.359 7.169 ( 7.892 -3.507 6.989) 11.110 ======================= Grid point 255 (90/288) ======================= q-point: (-0.29 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( -0.753 -2.378 -2.254) 3.361 1.239 ( -0.261 -0.485 0.377) 0.668 1.416 ( -1.222 -3.059 -0.634) 3.354 1.612 ( -3.265 -0.712 -1.405) 3.626 2.024 ( -4.166 10.774 -4.253) 12.310 3.040 ( -3.726 -1.515 1.849) 4.427 3.853 ( -0.084 -3.372 -8.852) 9.473 4.419 ( -2.456 13.857 -0.315) 14.076 5.179 ( 9.597 -9.716 8.339) 16.002 5.829 ( 10.959 9.853 6.050) 15.931 6.250 ( 0.288 3.769 -5.108) 6.355 7.262 ( 2.836 -2.748 8.245) 9.142 ======================= Grid point 256 (91/288) ======================= q-point: (-0.21 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( -2.868 -6.624 3.021) 7.825 1.228 ( -0.002 -0.555 -0.601) 0.818 1.377 ( -0.768 -1.052 -0.805) 1.532 1.542 ( -3.747 -0.807 0.621) 3.883 2.048 ( -0.556 5.925 -3.841) 7.083 2.902 ( -11.813 -0.786 0.861) 11.870 3.988 ( 15.164 6.046 1.317) 16.377 4.536 ( 0.477 11.576 -1.440) 11.675 5.198 ( 6.500 -19.382 7.725) 21.854 6.017 ( 0.398 2.202 3.354) 4.032 6.350 ( 6.684 9.005 -7.978) 13.763 7.253 ( -3.576 -2.492 5.304) 6.865 ======================= Grid point 257 (92/288) ======================= q-point: (-0.14 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( -7.483 -8.853 6.159) 13.126 1.207 ( -2.570 -0.435 0.316) 2.625 1.347 ( -1.385 -0.435 -2.192) 2.629 1.472 ( -3.501 -0.655 0.950) 3.686 2.116 ( 3.941 2.739 -1.505) 5.029 2.612 ( -20.456 -0.323 0.339) 20.461 4.359 ( 10.436 1.055 1.888) 10.657 4.662 ( 3.399 12.933 5.452) 14.441 5.144 ( 12.943 -19.523 0.663) 23.433 5.952 ( -7.152 -0.905 -0.678) 7.241 6.554 ( 8.446 7.388 -6.705) 13.072 7.120 ( -9.552 -2.461 -0.156) 9.865 ======================= Grid point 258 (93/288) ======================= q-point: (-0.07 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.638 ( -9.700 -6.259 6.961) 13.481 1.118 ( -7.049 -1.324 0.270) 7.177 1.301 ( -2.682 -0.261 -2.336) 3.566 1.419 ( -2.394 0.019 -0.008) 2.394 2.175 ( -10.007 4.068 -1.813) 10.953 2.226 ( -13.443 -1.977 3.468) 14.023 4.195 ( -19.521 -4.706 0.771) 20.095 4.891 ( 14.270 -11.632 -3.761) 18.790 5.392 ( 18.177 4.320 1.253) 18.725 5.830 ( -2.999 1.270 2.645) 4.196 6.730 ( 6.680 3.492 -4.469) 8.763 6.886 ( -12.314 -1.433 -5.276) 13.473 ======================= Grid point 263 (94/288) ======================= q-point: ( 0.29 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( 0.000 13.599 -4.122) 14.210 1.069 ( -0.000 4.430 5.124) 6.773 1.291 ( -0.000 1.891 2.082) 2.813 1.358 ( 0.000 2.681 -1.998) 3.343 1.882 ( -0.000 21.930 6.755) 22.947 2.215 ( 0.000 -1.779 -0.869) 1.980 4.244 ( -0.000 9.561 3.611) 10.220 5.169 ( -0.000 -6.724 4.179) 7.917 5.744 ( 0.000 7.612 -12.855) 14.940 5.900 ( 0.000 -4.282 -0.614) 4.326 6.334 ( -0.000 -9.534 9.449) 13.423 6.769 ( -0.000 2.569 0.204) 2.577 ======================= Grid point 264 (95/288) ======================= q-point: ( 0.36 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( -4.733 4.125 3.955) 7.421 1.167 ( 0.255 9.283 -2.362) 9.582 1.260 ( -3.464 0.614 -1.236) 3.729 1.419 ( 2.394 3.666 -0.019) 4.378 2.089 ( 2.900 0.214 -0.786) 3.012 2.309 ( 6.882 15.898 3.597) 17.693 4.307 ( 1.523 1.506 -4.424) 4.915 5.003 ( -4.230 -17.768 0.453) 18.270 5.565 ( -19.919 9.144 -1.966) 22.006 5.901 ( -0.378 -1.645 4.460) 4.769 6.308 ( 8.004 -17.473 -6.722) 20.361 6.872 ( 1.154 13.205 -1.494) 13.339 ======================= Grid point 265 (96/288) ======================= q-point: ( 0.43 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( -2.580 3.621 3.162) 5.455 1.207 ( -1.873 1.173 -1.945) 2.944 1.235 ( -0.237 4.923 -1.020) 5.033 1.507 ( 2.528 4.716 1.187) 5.480 2.110 ( 4.067 -4.137 1.044) 5.894 2.633 ( 7.799 15.897 0.578) 17.717 4.285 ( -2.161 -3.462 -4.155) 5.824 4.798 ( 0.942 -11.486 1.564) 11.630 5.289 ( -20.189 5.186 5.870) 21.656 5.850 ( -4.570 -1.171 -2.892) 5.533 6.214 ( 6.282 -16.822 -13.414) 22.414 6.977 ( -3.375 11.840 -7.067) 14.196 ======================= Grid point 266 (97/288) ======================= q-point: ( 0.50 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( 0.570 5.401 5.588) 7.792 1.200 ( 0.438 -0.079 -0.128) 0.463 1.276 ( 1.114 4.340 -2.661) 5.211 1.603 ( 2.346 4.440 1.935) 5.382 2.159 ( 3.517 -1.239 1.676) 4.088 2.876 ( 5.204 9.516 -1.195) 10.912 4.161 ( -5.571 -3.755 2.912) 7.322 4.834 ( 9.674 -4.882 4.803) 11.853 5.020 ( -19.697 7.583 7.353) 22.350 5.693 ( -9.814 -0.913 -10.647) 14.509 6.142 ( 9.414 -13.501 -14.994) 22.264 6.948 ( -6.338 6.605 -9.885) 13.472 ======================= Grid point 267 (98/288) ======================= q-point: ( 0.57 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( -1.865 5.932 3.575) 7.173 1.211 ( 0.672 0.777 -0.296) 1.069 1.359 ( 4.101 2.494 -0.741) 4.857 1.679 ( 1.388 2.012 1.567) 2.903 2.208 ( -0.563 5.421 -0.550) 5.478 2.998 ( 2.730 2.055 -0.710) 3.490 4.062 ( -1.854 -7.816 7.364) 10.898 4.814 ( -13.279 5.562 8.844) 16.896 5.043 ( 8.623 9.184 7.199) 14.510 5.421 ( -15.309 1.540 -17.183) 23.065 6.178 ( 10.009 -6.912 -11.299) 16.602 6.883 ( 0.523 -0.433 -6.835) 6.868 ======================= Grid point 268 (99/288) ======================= q-point: ( 0.64 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( -3.349 4.805 1.373) 6.015 1.235 ( 0.434 1.479 0.370) 1.585 1.423 ( 1.599 -0.458 -0.505) 1.738 1.691 ( -0.720 -1.022 -0.180) 1.263 2.241 ( -5.769 12.801 -2.934) 14.344 3.029 ( 2.568 -3.749 0.934) 4.639 3.939 ( -2.264 -13.587 2.071) 13.929 4.721 ( -10.749 10.652 9.847) 18.055 5.128 ( -10.243 0.915 -10.365) 14.601 5.386 ( 11.372 15.574 4.590) 19.823 6.220 ( 3.515 -2.440 -9.359) 10.291 6.954 ( 11.199 -4.643 0.519) 12.134 ======================= Grid point 269 (100/288) ======================= q-point: (-0.29 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( -6.031 1.856 0.824) 6.364 1.248 ( -0.375 0.435 0.171) 0.599 1.407 ( -0.814 -2.031 -0.956) 2.388 1.650 ( -2.230 -0.650 -1.039) 2.544 2.236 ( -8.154 11.558 -2.567) 14.376 3.039 ( 2.195 -3.069 1.029) 3.911 3.765 ( -0.949 -9.428 -4.754) 10.601 4.687 ( -10.323 13.199 5.905) 17.767 5.022 ( 1.658 -5.800 1.666) 6.258 5.758 ( 11.241 12.724 3.211) 17.279 6.215 ( 2.435 -0.963 -8.001) 8.419 7.125 ( 10.813 -4.145 3.369) 12.060 ======================= Grid point 270 (101/288) ======================= q-point: (-0.21 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( -5.060 -1.971 2.174) 5.849 1.234 ( -1.182 0.278 -0.530) 1.324 1.378 ( -0.618 -0.406 -0.917) 1.178 1.599 ( -3.098 -0.136 0.550) 3.150 2.172 ( -7.392 5.017 -1.199) 9.014 3.029 ( -2.985 -0.205 0.016) 2.992 3.781 ( 10.624 -0.012 -1.197) 10.691 4.675 ( -4.859 9.883 0.890) 11.049 4.998 ( 2.247 -12.135 6.056) 13.748 5.995 ( 5.064 2.621 -0.736) 5.749 6.276 ( 6.298 4.261 -6.775) 10.185 7.229 ( 4.129 -3.496 0.666) 5.451 ======================= Grid point 271 (102/288) ======================= q-point: (-0.14 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( -5.853 -2.295 3.232) 7.069 1.223 ( -0.259 0.431 -0.741) 0.895 1.360 ( -1.132 0.221 -2.106) 2.401 1.539 ( -4.051 -0.201 1.719) 4.405 2.116 ( -1.690 1.793 0.758) 2.578 2.898 ( -11.916 -0.063 -0.239) 11.919 4.067 ( 17.729 -0.577 1.902) 17.840 4.781 ( 6.198 13.046 -0.526) 14.453 4.855 ( -3.495 -16.806 2.993) 17.425 6.002 ( -1.393 -2.741 -5.938) 6.686 6.444 ( 8.367 4.277 -4.223) 10.302 7.195 ( -3.159 -3.561 -4.328) 6.433 ======================= Grid point 272 (103/288) ======================= q-point: (-0.07 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( -8.666 1.927 1.745) 9.048 1.201 ( -3.193 -0.388 -0.309) 3.231 1.323 ( -1.855 0.168 -4.405) 4.783 1.474 ( -3.612 0.312 1.087) 3.785 2.153 ( 3.004 0.702 1.844) 3.594 2.619 ( -19.487 0.413 0.993) 19.517 4.269 ( 9.695 -7.922 -5.393) 13.632 4.566 ( -6.892 -17.192 -4.433) 19.045 5.194 ( 18.806 16.951 4.517) 25.718 5.898 ( -3.680 -2.401 -5.438) 6.991 6.598 ( 7.994 -0.608 -2.305) 8.342 7.034 ( -8.543 -2.518 -7.986) 11.962 ======================= Grid point 278 (104/288) ======================= q-point: ( 0.36 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( 0.000 0.072 -1.521) 1.523 1.235 ( -0.000 5.645 0.035) 5.645 1.308 ( 0.000 0.335 -3.846) 3.861 1.427 ( -0.000 4.173 0.894) 4.268 2.013 ( 0.000 -8.470 -0.800) 8.507 2.465 ( -0.000 22.587 4.054) 22.948 4.210 ( 0.000 -8.466 -12.963) 15.483 4.811 ( 0.000 -24.160 -0.865) 24.175 5.865 ( 0.000 2.464 -9.096) 9.424 5.949 ( -0.000 6.685 5.102) 8.410 5.993 ( 0.000 -17.307 0.249) 17.309 7.008 ( 0.000 16.607 -2.089) 16.738 ======================= Grid point 279 (105/288) ======================= q-point: ( 0.43 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( -1.946 -1.270 -2.778) 3.622 1.252 ( -1.709 -1.064 -0.276) 2.032 1.289 ( -0.709 4.233 -3.112) 5.302 1.506 ( 3.025 4.276 0.745) 5.290 1.959 ( 4.954 -9.690 2.030) 11.071 2.723 ( 2.673 19.048 1.418) 19.287 4.135 ( 8.158 -9.495 -11.625) 17.083 4.555 ( 0.724 -24.920 0.011) 24.930 5.633 ( -8.465 -11.027 -4.295) 14.550 5.924 ( -3.717 2.403 -3.640) 5.731 6.004 ( -2.947 1.001 -2.686) 4.111 7.150 ( -2.691 15.290 -4.505) 16.165 ======================= Grid point 280 (106/288) ======================= q-point: ( 0.50 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( 3.509 0.440 1.449) 3.822 1.222 ( -0.833 0.090 -0.571) 1.014 1.307 ( -0.469 2.908 -1.610) 3.357 1.604 ( 2.870 3.379 1.443) 4.662 2.011 ( 9.205 -6.573 2.388) 11.560 2.923 ( 1.614 12.404 -0.389) 12.514 4.148 ( 0.085 -10.649 3.263) 11.138 4.465 ( 17.948 -14.525 -0.735) 23.100 5.397 ( -6.265 -6.172 -3.003) 9.293 5.823 ( -7.466 1.506 -7.444) 10.650 5.902 ( -6.445 0.538 -8.504) 10.684 7.156 ( -9.439 10.550 -7.867) 16.195 ======================= Grid point 281 (107/288) ======================= q-point: ( 0.57 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( 3.649 0.707 1.578) 4.038 1.230 ( 1.141 3.356 1.247) 3.757 1.331 ( 1.122 2.154 -0.414) 2.464 1.671 ( 1.649 0.425 1.893) 2.546 2.157 ( 10.507 0.502 0.485) 10.530 3.014 ( -1.643 5.088 -0.684) 5.390 3.990 ( -1.506 -17.549 10.406) 20.457 4.769 ( 16.076 3.756 3.742) 16.928 5.301 ( -3.696 4.371 6.725) 8.831 5.639 ( -12.855 3.959 -15.219) 20.311 5.807 ( 6.052 -7.226 -10.880) 14.395 7.006 ( -12.413 5.539 -8.971) 16.286 ======================= Grid point 282 (108/288) ======================= q-point: ( 0.64 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( 1.123 1.030 -0.807) 1.724 1.292 ( -0.936 4.032 2.611) 4.894 1.382 ( 2.348 -0.166 0.153) 2.359 1.682 ( 0.206 -1.690 0.500) 1.774 2.379 ( 7.183 10.716 -0.727) 12.921 2.961 ( -3.557 -4.693 -0.599) 5.919 3.831 ( -0.828 -16.552 8.959) 18.839 4.971 ( -1.973 6.755 4.759) 8.495 5.333 ( -11.746 4.137 -1.181) 12.509 5.465 ( -1.346 14.988 0.321) 15.052 5.928 ( 19.403 -9.478 -11.402) 24.419 6.843 ( -4.860 0.991 -5.337) 7.286 ======================= Grid point 283 (109/288) ======================= q-point: (-0.29 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( 0.200 1.341 -0.460) 1.432 1.283 ( -4.873 0.966 2.654) 5.632 1.391 ( 0.442 -1.254 -0.965) 1.643 1.665 ( -0.505 -0.578 -0.349) 0.843 2.520 ( -9.099 14.079 -0.949) 16.790 2.888 ( 7.573 -9.254 -0.101) 11.958 3.688 ( -1.673 -9.536 1.789) 9.845 4.949 ( -3.740 0.763 2.458) 4.540 5.103 ( -15.651 4.743 1.311) 16.406 5.707 ( 8.662 8.152 2.607) 12.177 6.096 ( 8.260 -0.635 -7.951) 11.483 6.881 ( 10.187 -1.895 -0.537) 10.376 ======================= Grid point 284 (110/288) ======================= q-point: (-0.21 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( -7.930 -1.270 2.230) 8.335 1.254 ( -0.586 0.182 -0.400) 0.732 1.387 ( -0.522 0.766 -0.275) 0.966 1.648 ( -1.753 0.585 0.612) 1.946 2.377 ( -12.075 1.157 0.473) 12.140 2.998 ( 6.060 -0.050 -0.631) 6.093 3.654 ( 4.092 1.385 0.178) 4.323 4.845 ( -4.794 -9.045 -2.059) 10.442 4.958 ( -7.925 5.975 8.163) 12.851 5.870 ( 8.129 -4.658 -4.935) 10.589 6.210 ( 4.401 6.532 -2.373) 8.226 7.059 ( 10.412 -2.030 -2.683) 10.942 ======================= Grid point 285 (111/288) ======================= q-point: (-0.14 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( -5.863 1.069 2.774) 6.573 1.237 ( -0.932 0.034 -0.461) 1.041 1.382 ( -1.190 1.195 -0.456) 1.747 1.615 ( -3.395 0.760 1.986) 4.005 2.197 ( -6.728 -2.555 1.157) 7.289 3.023 ( -2.954 -0.309 -0.578) 3.026 3.851 ( 9.986 5.367 5.567) 12.630 4.678 ( -0.781 -11.933 1.267) 12.025 4.922 ( -3.251 5.656 -0.797) 6.572 5.892 ( 5.221 -7.975 -10.965) 14.529 6.347 ( 5.185 3.234 0.214) 6.115 7.141 ( 3.053 -2.105 -7.703) 8.549 ======================= Grid point 286 (112/288) ======================= q-point: (-0.07 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( -6.150 4.629 -0.327) 7.705 1.226 ( -0.566 0.131 -0.844) 1.024 1.357 ( -2.727 1.069 -2.563) 3.892 1.557 ( -4.511 0.727 1.781) 4.904 2.126 ( 0.603 -2.377 3.444) 4.228 2.889 ( -11.297 -0.481 -0.392) 11.314 4.005 ( 5.301 -5.053 2.505) 7.740 4.521 ( -3.941 -14.959 -3.169) 15.791 5.105 ( 12.598 17.506 -0.528) 21.575 5.835 ( 2.489 -6.986 -13.695) 15.574 6.438 ( 5.683 -4.958 0.125) 7.543 7.088 ( -3.298 -0.620 -9.865) 10.420 ======================= Grid point 293 (113/288) ======================= q-point: ( 0.43 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( 0.000 -1.780 -3.120) 3.592 1.222 ( 0.000 -4.578 -6.312) 7.797 1.312 ( 0.000 1.926 -2.547) 3.193 1.515 ( -0.000 3.534 0.952) 3.660 1.808 ( -0.000 -11.633 5.528) 12.880 2.896 ( -0.000 17.079 0.186) 17.080 3.856 ( 0.000 -13.844 -16.233) 21.335 4.305 ( -0.000 -24.379 1.749) 24.442 5.451 ( 0.000 -19.563 -12.659) 23.302 5.976 ( 0.000 3.257 -5.692) 6.558 6.153 ( -0.000 8.798 3.832) 9.597 7.328 ( 0.000 15.577 -2.852) 15.836 ======================= Grid point 294 (114/288) ======================= q-point: ( 0.50 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( 0.461 -1.299 -0.160) 1.387 1.185 ( 2.704 -3.547 -5.016) 6.712 1.320 ( 0.371 0.684 -1.859) 2.016 1.583 ( 3.034 2.553 0.772) 4.040 1.779 ( 7.028 -9.677 5.764) 13.277 3.038 ( -0.157 11.549 -1.151) 11.607 3.879 ( 20.868 -7.819 -8.778) 23.951 4.072 ( -0.341 -22.178 4.058) 22.549 5.232 ( 0.295 -14.493 -14.175) 20.274 5.942 ( -5.026 2.945 -6.134) 8.460 6.159 ( -9.506 7.922 1.778) 12.502 7.402 ( -6.904 11.769 -4.128) 14.256 ======================= Grid point 295 (115/288) ======================= q-point: ( 0.57 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( 5.613 1.564 3.540) 6.818 1.202 ( 3.620 -0.544 -2.441) 4.399 1.332 ( 0.912 0.683 -0.882) 1.441 1.641 ( 1.992 -1.241 2.466) 3.404 1.906 ( 13.868 -3.959 1.261) 14.477 3.117 ( -1.755 6.664 -0.469) 6.907 3.860 ( -1.624 -17.950 8.503) 19.928 4.353 ( 35.326 1.254 -0.524) 35.352 5.099 ( 4.305 -9.645 -12.883) 16.659 5.825 ( -9.396 3.149 -7.415) 12.377 6.014 ( -15.130 6.395 1.957) 16.542 7.295 ( -13.994 7.406 -5.589) 16.790 ======================= Grid point 296 (116/288) ======================= q-point: ( 0.64 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( 2.355 0.267 -0.135) 2.374 1.292 ( 4.374 1.325 -0.111) 4.572 1.359 ( 0.888 0.449 1.158) 1.527 1.654 ( 1.101 -2.181 1.278) 2.757 2.181 ( 18.258 1.323 -0.269) 18.308 3.076 ( -7.930 1.319 -0.408) 8.050 3.712 ( -0.351 -12.918 7.961) 15.178 4.981 ( 13.853 12.097 3.393) 18.702 5.162 ( 27.640 -11.545 -8.072) 31.023 5.630 ( -11.316 3.832 -10.959) 16.212 5.819 ( -13.831 3.929 7.637) 16.281 7.064 ( -15.879 4.604 -3.983) 17.006 ======================= Grid point 297 (117/288) ======================= q-point: (-0.29 -0.57 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( 1.584 0.425 0.214) 1.654 1.343 ( -1.456 -3.480 -0.613) 3.822 1.362 ( 1.933 1.622 0.274) 2.538 1.658 ( 0.695 -0.182 0.097) 0.725 2.529 ( 18.725 0.541 -0.790) 18.750 2.878 ( -13.908 0.311 0.306) 13.914 3.636 ( -0.205 -4.989 2.975) 5.812 5.021 ( -6.117 -2.252 -5.532) 8.549 5.358 ( -1.365 -1.454 -5.256) 5.622 5.662 ( -4.337 -3.421 2.427) 6.033 5.840 ( 20.657 10.601 6.501) 24.111 6.870 ( -8.249 3.437 0.129) 8.937 ======================= Grid point 298 (118/288) ======================= q-point: (-0.21 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( -4.394 -4.176 -1.203) 6.180 1.253 ( 0.450 -0.274 0.156) 0.549 1.403 ( 0.631 1.443 0.286) 1.601 1.671 ( 0.073 0.945 0.202) 0.969 2.547 ( -8.357 -12.551 1.163) 15.123 2.885 ( 7.000 9.650 -0.248) 11.924 3.643 ( 1.828 5.712 -1.618) 6.212 4.817 ( -6.569 -8.301 -5.220) 11.803 5.258 ( -11.898 1.846 9.460) 15.313 5.605 ( 6.836 -11.218 -6.204) 14.528 6.208 ( 7.258 8.382 2.998) 11.486 6.889 ( 5.736 2.867 0.237) 6.417 ======================= Grid point 299 (119/288) ======================= q-point: (-0.14 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( -3.503 -0.797 0.757) 3.672 1.245 ( -0.559 -0.725 -0.250) 0.949 1.418 ( -0.675 1.803 0.399) 1.966 1.674 ( -1.369 1.043 1.222) 2.111 2.279 ( -8.547 -9.837 1.154) 13.082 3.024 ( 2.132 1.943 -0.456) 2.920 3.836 ( 6.785 14.305 3.038) 16.121 4.601 ( -4.868 -12.465 -1.897) 13.516 5.090 ( -10.601 2.279 7.427) 13.143 5.597 ( 9.580 -13.849 -12.202) 20.795 6.337 ( 1.156 2.914 3.100) 4.408 7.029 ( 6.033 2.176 -5.322) 8.334 ======================= Grid point 300 (120/288) ======================= q-point: (-0.07 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( -3.306 3.289 -0.666) 4.710 1.230 ( -0.331 -0.161 -0.702) 0.792 1.420 ( -2.217 2.859 -0.108) 3.620 1.646 ( -3.645 0.710 1.747) 4.104 2.090 ( -1.957 -8.661 1.908) 9.082 3.014 ( -3.998 0.057 -0.671) 4.054 4.035 ( -3.195 7.582 6.999) 10.802 4.409 ( -1.651 -13.123 -0.261) 13.229 5.090 ( 4.952 10.873 1.231) 12.011 5.571 ( 8.912 -13.148 -18.303) 24.234 6.339 ( -0.360 -5.558 1.476) 5.762 7.088 ( 0.756 2.588 -7.162) 7.653 ======================= Grid point 308 (121/288) ======================= q-point: ( 0.50 0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( 0.000 -1.418 -1.495) 2.061 1.052 ( 0.000 -6.507 -4.920) 8.158 1.311 ( 0.000 -0.384 -0.807) 0.894 1.576 ( -0.000 1.895 0.533) 1.968 1.655 ( -0.000 -7.740 7.618) 10.861 3.129 ( 0.000 7.061 -2.708) 7.563 3.543 ( 0.000 -7.095 -8.293) 10.914 3.907 ( -0.000 -16.690 6.491) 17.908 5.075 ( 0.000 -7.282 -13.455) 15.299 6.001 ( 0.000 3.155 -4.701) 5.662 6.313 ( -0.000 5.051 0.483) 5.074 7.565 ( 0.000 9.131 -3.052) 9.627 ======================= Grid point 309 (122/288) ======================= q-point: ( 0.57 0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( 5.207 -0.998 1.495) 5.508 1.077 ( 6.013 -0.987 -1.543) 6.285 1.315 ( 0.924 0.081 0.186) 0.946 1.602 ( 1.116 -2.263 2.892) 3.838 1.680 ( 7.922 -2.489 2.766) 8.752 3.177 ( 0.223 3.426 -1.650) 3.809 3.721 ( 17.987 -3.864 -2.909) 18.626 3.790 ( 7.863 -8.117 8.033) 13.865 4.996 ( -0.316 0.141 -9.635) 9.641 5.972 ( -5.538 3.115 -3.600) 7.303 6.275 ( -8.277 2.616 -0.008) 8.680 7.551 ( -8.454 5.140 -3.582) 10.522 ======================= Grid point 310 (123/288) ======================= q-point: (-0.36 -0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( 6.023 -2.491 -2.865) 7.120 1.208 ( 4.931 1.417 1.318) 5.297 1.350 ( 1.483 0.870 2.274) 2.851 1.610 ( 1.802 -1.952 1.514) 3.057 1.881 ( 15.306 0.262 1.137) 15.351 3.173 ( -2.492 -0.347 -1.398) 2.878 3.663 ( -2.045 -4.373 3.969) 6.250 4.376 ( 39.428 -0.413 0.583) 39.435 5.026 ( 1.978 7.921 -0.439) 8.176 5.834 ( -11.271 2.240 -6.975) 13.443 6.108 ( -12.212 0.458 4.832) 13.141 7.372 ( -14.284 2.565 -1.987) 14.648 ======================= Grid point 311 (124/288) ======================= q-point: (-0.29 -0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 4.610 -1.264 -1.186) 4.925 1.271 ( 2.954 -2.153 -1.597) 3.989 1.363 ( -0.383 -0.823 1.285) 1.573 1.637 ( 1.785 0.248 -0.310) 1.828 2.189 ( 17.769 -0.824 0.571) 17.797 3.070 ( -7.065 -1.076 -0.807) 7.192 3.638 ( -1.061 2.980 0.755) 3.252 4.877 ( 20.565 -9.737 -6.368) 23.628 5.203 ( 1.758 6.027 -4.815) 7.913 5.701 ( 0.955 7.935 2.133) 8.272 5.926 ( -10.788 0.199 11.995) 16.134 7.132 ( -14.712 2.173 2.441) 15.071 ======================= Grid point 312 (125/288) ======================= q-point: (-0.21 -0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( 0.551 -4.626 -3.359) 5.744 1.242 ( -0.098 -1.762 0.363) 1.801 1.381 ( 2.406 0.147 0.161) 2.416 1.666 ( 1.281 0.461 -1.020) 1.701 2.387 ( 8.132 -10.309 -0.172) 13.132 2.978 ( -3.499 5.161 1.092) 6.330 3.689 ( 0.531 10.193 -4.306) 11.078 4.869 ( -7.880 -8.045 -4.125) 11.992 5.155 ( 7.717 -9.628 -11.058) 16.569 5.688 ( -13.062 -0.844 12.745) 18.269 6.115 ( 13.742 10.350 7.247) 18.667 6.965 ( -7.682 3.215 6.231) 10.401 ======================= Grid point 313 (126/288) ======================= q-point: (-0.14 -0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( -0.356 -3.486 -1.223) 3.711 1.242 ( -0.010 -0.962 0.484) 1.077 1.422 ( 1.787 0.446 -0.357) 1.876 1.685 ( 0.913 -0.038 -0.860) 1.254 2.282 ( -4.243 -12.347 0.594) 13.069 3.021 ( 0.905 2.911 0.065) 3.049 3.869 ( 6.913 15.503 -3.641) 17.361 4.601 ( -9.129 -10.099 -1.969) 13.755 5.169 ( 7.519 -9.613 -7.706) 14.434 5.468 ( -14.290 -2.274 13.318) 19.666 6.344 ( 2.792 2.715 1.863) 4.317 6.983 ( 2.032 4.399 3.755) 6.131 ======================= Grid point 314 (127/288) ======================= q-point: (-0.07 0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 0.360 0.624 -0.000) 0.721 1.231 ( -0.219 -0.379 0.000) 0.437 1.460 ( 1.341 2.322 -0.000) 2.681 1.689 ( -0.165 -0.286 0.000) 0.331 2.059 ( -6.428 -11.133 -0.000) 12.856 3.045 ( 0.104 0.181 -0.000) 0.209 4.158 ( 6.981 12.091 -0.000) 13.962 4.348 ( -6.420 -11.120 -0.000) 12.841 5.186 ( 1.547 2.679 -0.000) 3.093 5.271 ( -4.052 -7.019 0.000) 8.104 6.323 ( -2.993 -5.183 -0.000) 5.985 7.081 ( 2.375 4.114 0.000) 4.750 ======================= Grid point 324 (128/288) ======================= q-point: (-0.43 -0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( -0.000 2.972 4.992) 5.810 1.023 ( -0.000 0.947 1.526) 1.796 1.311 ( -0.000 0.668 1.314) 1.474 1.580 ( -0.000 -3.658 3.687) 5.194 1.597 ( -0.000 -0.183 0.448) 0.484 3.191 ( 0.000 1.133 -1.039) 1.537 3.508 ( -0.000 5.028 4.882) 7.008 3.730 ( -0.000 -3.997 3.709) 5.452 5.013 ( 0.000 7.066 -5.193) 8.770 6.048 ( -0.000 2.747 0.217) 2.755 6.352 ( 0.000 -0.602 -2.635) 2.703 7.645 ( 0.000 0.969 -3.874) 3.993 ======================= Grid point 325 (129/288) ======================= q-point: (-0.36 -0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( 0.694 0.719 0.238) 1.027 1.168 ( 4.707 4.285 4.533) 7.815 1.345 ( 1.436 1.626 3.542) 4.153 1.572 ( 1.206 -0.790 0.549) 1.542 1.671 ( 9.141 -0.341 1.218) 9.228 3.174 ( -0.850 -2.479 -1.587) 3.064 3.704 ( -0.963 4.403 -0.031) 4.507 3.854 ( 23.093 7.025 8.963) 25.748 5.112 ( 0.840 12.888 2.430) 13.142 6.009 ( -7.440 1.440 -0.793) 7.619 6.263 ( -6.207 -3.298 -1.042) 7.106 7.558 ( -7.077 -2.176 -2.867) 7.940 ======================= Grid point 326 (130/288) ======================= q-point: (-0.29 -0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( 4.687 -0.688 -2.095) 5.179 1.236 ( 0.672 0.195 0.921) 1.156 1.368 ( -0.679 -1.132 2.256) 2.614 1.603 ( 2.046 0.380 -1.057) 2.334 1.917 ( 14.834 2.138 2.127) 15.137 3.101 ( -1.728 -5.629 -1.769) 6.148 3.743 ( -2.579 11.454 -2.338) 11.972 4.384 ( 25.088 1.700 1.812) 25.211 5.296 ( -0.245 11.926 4.949) 12.914 5.837 ( -8.764 2.495 -1.426) 9.223 6.109 ( -7.569 -3.569 7.151) 11.008 7.367 ( -10.598 -2.879 1.288) 11.058 ======================= Grid point 327 (131/288) ======================= q-point: (-0.21 -0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( 3.883 -3.664 -4.873) 7.229 1.225 ( -0.081 -1.770 0.248) 1.789 1.351 ( 0.505 -1.147 1.461) 1.925 1.629 ( 1.859 -1.066 -2.122) 3.015 2.155 ( 10.209 -2.377 0.370) 10.488 3.025 ( -0.244 -3.748 0.368) 3.774 3.821 ( -2.936 15.383 -5.586) 16.628 4.710 ( 13.433 -2.994 -2.434) 13.976 5.140 ( -14.982 -6.375 -8.104) 18.187 5.884 ( -4.090 1.266 9.568) 10.482 6.078 ( 5.122 9.604 13.145) 17.067 7.167 ( -10.054 -1.878 6.427) 12.080 ======================= Grid point 328 (132/288) ======================= q-point: (-0.14 -0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( 1.950 -5.595 -4.167) 7.244 1.229 ( 0.703 -0.740 0.933) 1.383 1.375 ( 2.570 -0.953 0.790) 2.853 1.637 ( 2.178 -2.342 -2.422) 4.012 2.206 ( 1.249 -6.305 -0.693) 6.465 3.016 ( 1.455 -2.551 0.843) 3.056 3.914 ( 0.339 12.148 -6.944) 13.997 4.699 ( -11.943 -6.108 -3.022) 13.751 4.933 ( 7.015 -4.167 -2.872) 8.650 5.760 ( -11.716 -1.126 15.294) 19.298 6.330 ( 4.131 7.004 3.717) 8.941 7.055 ( -3.852 0.181 9.325) 10.091 ======================= Grid point 339 (133/288) ======================= q-point: (-0.36 -0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( -0.000 2.381 3.040) 3.862 1.186 ( -0.000 7.246 6.187) 9.528 1.368 ( -0.000 2.715 6.487) 7.032 1.565 ( 0.000 2.939 -1.535) 3.316 1.572 ( 0.000 -2.506 0.085) 2.507 3.137 ( 0.000 -7.078 -1.892) 7.327 3.779 ( -0.000 13.911 14.288) 19.942 3.813 ( 0.000 12.367 -2.797) 12.679 5.270 ( -0.000 16.889 6.738) 18.183 6.093 ( -0.000 -0.058 2.979) 2.980 6.253 ( 0.000 -6.368 -5.419) 8.361 7.560 ( 0.000 -6.598 -3.642) 7.536 ======================= Grid point 340 (134/288) ======================= q-point: (-0.29 -0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( -3.128 3.150 2.659) 5.174 1.245 ( -0.452 0.997 1.203) 1.627 1.384 ( -1.821 -1.379 3.793) 4.428 1.565 ( 1.705 -1.651 -0.955) 2.558 1.738 ( 10.693 8.100 2.117) 13.581 3.024 ( -0.146 -11.705 -2.384) 11.947 3.929 ( -2.244 18.749 -4.234) 19.351 4.125 ( 14.063 12.438 9.821) 21.188 5.476 ( -1.531 16.060 8.995) 18.471 5.996 ( -8.209 -1.728 -1.557) 8.533 6.154 ( -1.627 -6.392 1.555) 6.777 7.434 ( -3.742 -8.496 -1.308) 9.375 ======================= Grid point 341 (135/288) ======================= q-point: (-0.21 -0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( -1.524 -0.165 -1.304) 2.012 1.219 ( -1.383 -1.353 -0.170) 1.942 1.343 ( -0.773 -2.319 2.023) 3.173 1.571 ( 1.802 -2.928 -1.807) 3.884 1.996 ( 8.907 4.603 1.038) 10.080 2.919 ( 3.147 -11.681 -0.723) 12.119 4.056 ( -4.829 19.985 -5.005) 21.161 4.493 ( 12.959 7.980 2.268) 15.387 5.351 ( -18.415 -5.871 -6.419) 20.366 5.969 ( -1.447 1.821 6.797) 7.184 6.145 ( 3.298 6.654 12.477) 14.520 7.273 ( -5.111 -7.866 3.120) 9.886 ======================= Grid point 342 (136/288) ======================= q-point: (-0.14 -0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( -0.411 -6.577 -5.423) 8.534 1.214 ( 0.705 0.201 1.061) 1.290 1.334 ( 1.201 -1.952 2.936) 3.725 1.559 ( 1.950 -3.831 -2.330) 4.890 2.126 ( 3.426 0.351 -1.366) 3.705 2.894 ( 5.677 -10.072 0.587) 11.577 4.094 ( -8.539 12.226 -3.239) 15.260 4.781 ( 10.384 10.272 -0.689) 14.623 4.894 ( -18.061 -10.671 -4.812) 21.522 5.920 ( -4.396 -2.996 10.259) 11.557 6.381 ( 3.322 11.028 8.434) 14.275 7.134 ( -4.054 -6.031 7.759) 10.630 ======================= Grid point 354 (137/288) ======================= q-point: (-0.29 -0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( -0.000 0.924 1.803) 2.026 1.260 ( 0.000 -0.482 -0.186) 0.516 1.413 ( -0.000 -2.568 4.006) 4.759 1.501 ( 0.000 -4.078 -0.373) 4.095 1.777 ( -0.000 14.815 3.263) 15.170 2.856 ( 0.000 -18.354 -3.509) 18.686 4.173 ( 0.000 25.874 -9.693) 27.630 4.173 ( -0.000 13.227 14.006) 19.265 5.725 ( -0.000 19.814 13.626) 24.047 6.044 ( 0.000 -9.296 -6.654) 11.432 6.057 ( -0.000 -5.357 1.175) 5.484 7.345 ( 0.000 -12.501 -1.745) 12.622 ======================= Grid point 355 (138/288) ======================= q-point: (-0.21 -0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( -3.940 -2.516 -1.786) 5.005 1.233 ( -0.928 -1.694 -0.980) 2.166 1.352 ( -2.638 -2.962 2.518) 4.698 1.493 ( 2.376 -4.003 -0.657) 4.702 1.969 ( 3.743 10.672 3.052) 11.714 2.681 ( 4.607 -19.799 -2.442) 20.474 4.314 ( -2.094 14.036 2.001) 14.332 4.454 ( 5.474 20.156 -5.053) 21.488 5.632 ( -20.836 -3.292 -3.520) 21.386 5.985 ( -0.433 -5.873 1.546) 6.088 6.165 ( 9.335 11.340 11.505) 18.658 7.209 ( 0.190 -13.246 0.537) 13.259 ======================= Grid point 356 (139/288) ======================= q-point: (-0.14 -0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( -5.206 -9.652 -7.590) 13.337 1.210 ( 0.257 -1.481 -0.310) 1.535 1.314 ( -0.131 -1.995 4.268) 4.713 1.483 ( 1.552 -3.878 -1.222) 4.352 2.106 ( 1.926 5.206 0.667) 5.591 2.618 ( 9.563 -17.541 -0.760) 19.993 4.358 ( -5.607 6.241 1.914) 8.606 4.718 ( 4.898 12.745 -5.607) 14.760 5.170 ( -21.762 -1.124 -4.353) 22.222 5.930 ( 0.557 -6.004 3.544) 6.994 6.468 ( 4.574 12.663 10.611) 17.143 7.097 ( 0.629 -11.487 4.117) 12.219 ======================= Grid point 369 (140/288) ======================= q-point: (-0.21 -0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( 0.000 -4.210 -2.996) 5.167 1.196 ( 0.000 -4.660 -2.993) 5.539 1.359 ( -0.000 -3.902 0.608) 3.949 1.426 ( -0.000 -2.827 0.683) 2.909 2.059 ( -0.000 8.009 3.519) 8.748 2.396 ( 0.000 -22.967 -2.546) 23.108 4.370 ( -0.000 -2.184 1.758) 2.804 4.661 ( 0.000 28.064 -13.954) 31.342 5.874 ( 0.000 -2.202 -1.561) 2.699 5.895 ( 0.000 -9.150 -2.771) 9.560 6.191 ( -0.000 15.862 14.377) 21.408 7.050 ( -0.000 -15.737 1.139) 15.778 ======================= Grid point 370 (141/288) ======================= q-point: (-0.14 -0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( -9.405 -10.575 -9.144) 16.849 1.153 ( 1.551 -5.597 -2.366) 6.272 1.312 ( -0.334 -3.086 1.928) 3.655 1.422 ( 1.325 -2.580 0.251) 2.912 2.111 ( 4.808 -5.736 1.801) 7.698 2.265 ( 5.307 -12.896 -0.968) 13.979 4.308 ( 2.540 -13.124 -4.515) 14.109 4.874 ( -0.329 21.899 -11.923) 24.937 5.598 ( -23.958 4.085 1.847) 24.374 5.830 ( 2.246 -6.421 -1.487) 6.963 6.517 ( 9.412 11.817 11.255) 18.839 6.930 ( 2.982 -14.108 3.103) 14.750 ======================= Grid point 384 (142/288) ======================= q-point: (-0.14 -0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( 0.000 -9.183 -8.404) 12.448 1.031 ( 0.000 -8.681 -6.800) 11.027 1.259 ( 0.000 -6.757 -0.180) 6.760 1.393 ( -0.000 -1.550 1.144) 1.926 1.824 ( -0.000 -23.975 1.627) 24.030 2.224 ( 0.000 -1.291 -0.036) 1.291 4.075 ( 0.000 -21.254 -11.997) 24.406 4.987 ( 0.000 8.399 -13.002) 15.479 5.762 ( 0.000 4.076 -8.445) 9.377 5.963 ( -0.000 8.040 4.952) 9.442 6.461 ( -0.000 -4.055 16.682) 17.168 6.828 ( -0.000 -1.992 4.096) 4.555 ======================= Grid point 431 (143/288) ======================= q-point: ( 0.14 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.376 ( -0.000 0.000 17.386) 17.386 0.376 ( -0.000 0.000 17.386) 17.386 0.535 ( -0.000 0.000 28.382) 28.382 1.290 ( 0.000 -0.000 -1.833) 1.833 1.290 ( 0.000 -0.000 -1.833) 1.833 2.289 ( -0.000 0.000 12.211) 12.211 3.118 ( -0.000 0.000 26.980) 26.980 3.118 ( -0.000 0.000 26.980) 26.980 5.427 ( -0.000 0.000 54.952) 54.952 6.351 ( 0.000 -0.000 -2.062) 2.062 6.351 ( 0.000 -0.000 -2.062) 2.062 7.208 ( 0.000 -0.000 -0.186) 0.186 ======================= Grid point 432 (144/288) ======================= q-point: ( 0.21 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.226 ( -1.222 -0.706 15.795) 15.858 0.321 ( -3.176 -1.834 18.981) 19.332 1.070 ( 18.891 10.907 16.416) 27.300 1.303 ( 1.469 0.848 -1.832) 2.497 1.323 ( 5.781 3.338 -1.525) 6.847 2.195 ( -2.970 -1.715 17.984) 18.309 3.228 ( 5.777 3.335 22.649) 23.611 4.200 ( 51.774 29.892 -20.477) 63.193 5.519 ( -10.124 -5.845 39.441) 41.137 6.334 ( 2.539 1.466 5.985) 6.665 6.339 ( -2.299 -1.327 -1.016) 2.842 7.154 ( -4.181 -2.414 0.142) 4.830 ======================= Grid point 433 (145/288) ======================= q-point: ( 0.29 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.424 ( 11.621 6.709 4.060) 14.020 0.442 ( 8.433 4.869 3.833) 10.465 1.247 ( 1.250 0.722 -0.550) 1.545 1.340 ( 2.052 1.185 -1.507) 2.808 1.716 ( 19.222 11.098 9.656) 24.205 2.209 ( -0.373 -0.216 7.399) 7.412 3.485 ( 10.176 5.875 12.215) 16.950 5.046 ( 22.198 12.816 -23.801) 34.979 5.203 ( -16.735 -9.662 18.755) 26.929 6.245 ( -5.265 -3.040 -0.321) 6.088 6.483 ( 4.757 2.747 13.565) 14.635 7.033 ( -5.931 -3.424 0.472) 6.864 ======================= Grid point 434 (146/288) ======================= q-point: ( 0.36 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.665 ( 9.868 5.697 -4.122) 12.117 0.706 ( 11.060 6.386 0.581) 12.785 1.259 ( 0.443 0.256 -2.513) 2.564 1.390 ( 2.637 1.523 -0.640) 3.112 2.139 ( 13.689 7.903 3.187) 16.124 2.225 ( 1.528 0.882 5.384) 5.666 3.735 ( 8.676 5.009 -0.636) 10.038 4.613 ( -24.328 -14.046 0.590) 28.098 5.478 ( 9.310 5.375 -7.661) 13.201 6.115 ( -5.371 -3.101 1.097) 6.298 6.577 ( 0.180 0.104 2.780) 2.787 6.897 ( -5.093 -2.940 1.383) 6.041 ======================= Grid point 435 (147/288) ======================= q-point: ( 0.43 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( 9.437 5.448 -6.866) 12.879 0.923 ( 7.570 4.371 -1.544) 8.877 1.257 ( 0.113 0.065 -1.790) 1.795 1.461 ( 3.407 1.967 0.361) 3.950 2.212 ( -0.176 -0.101 -0.761) 0.788 2.485 ( 11.477 6.626 4.642) 14.042 3.862 ( 3.995 2.307 -11.870) 12.735 4.128 ( -15.577 -8.994 1.173) 18.025 5.504 ( -3.263 -1.884 -8.448) 9.250 6.028 ( -2.325 -1.343 3.664) 4.542 6.422 ( -13.297 -7.677 -6.246) 16.576 6.894 ( 4.524 2.612 0.929) 5.306 ======================= Grid point 436 (148/288) ======================= q-point: ( 0.50 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( 4.286 2.474 -2.896) 5.734 1.059 ( 7.862 4.539 -6.210) 10.999 1.270 ( 2.429 1.402 -1.515) 3.188 1.543 ( 3.267 1.886 0.625) 3.824 2.154 ( -5.400 -3.118 0.348) 6.245 2.738 ( 9.635 5.563 0.870) 11.160 3.866 ( 1.377 0.795 -17.592) 17.664 3.967 ( 1.997 1.153 2.418) 3.341 5.335 ( -8.410 -4.856 -9.108) 13.315 6.002 ( -17.847 -10.304 -9.195) 22.566 6.030 ( 0.705 0.407 6.038) 6.093 7.039 ( 6.355 3.669 2.730) 7.829 ======================= Grid point 437 (149/288) ======================= q-point: ( 0.57 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( 2.339 1.351 -3.357) 4.309 1.157 ( 3.033 1.751 -4.774) 5.921 1.385 ( 7.204 4.159 -4.340) 9.383 1.605 ( 1.737 1.003 0.202) 2.015 1.969 ( -9.722 -5.613 0.045) 11.226 2.945 ( 7.576 4.374 0.795) 8.784 3.858 ( 3.728 2.152 -16.834) 17.375 4.181 ( 12.018 6.939 0.848) 13.903 5.008 ( -14.291 -8.251 -16.646) 23.439 5.700 ( -4.831 -2.789 3.387) 6.526 6.076 ( 0.765 0.441 7.380) 7.432 7.186 ( 4.608 2.661 6.894) 8.709 ======================= Grid point 438 (150/288) ======================= q-point: (-0.36 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( 1.311 0.757 -3.040) 3.396 1.210 ( 2.567 1.482 -2.223) 3.705 1.543 ( 8.270 4.775 -8.772) 12.967 1.620 ( -0.504 -0.291 -0.250) 0.634 1.735 ( -9.769 -5.640 -0.373) 11.287 3.069 ( 1.807 1.043 3.313) 3.915 3.951 ( 8.309 4.797 -12.204) 15.524 4.144 ( -13.958 -8.059 -13.104) 20.772 4.991 ( 18.723 10.810 -8.263) 23.145 5.744 ( 3.923 2.265 15.015) 15.683 6.092 ( -1.789 -1.033 7.760) 8.031 7.289 ( 1.625 0.938 10.296) 10.466 ======================= Grid point 439 (151/288) ======================= q-point: (-0.29 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( 0.409 0.236 -1.715) 1.779 1.253 ( 1.149 0.664 0.078) 1.329 1.531 ( -7.325 -4.229 1.056) 8.524 1.581 ( -2.642 -1.525 -0.516) 3.094 1.721 ( 9.794 5.655 -11.536) 16.155 3.024 ( -6.931 -4.002 4.317) 9.094 3.853 ( -3.841 -2.218 -6.439) 7.818 4.147 ( 10.371 5.988 -6.818) 13.780 5.495 ( 23.465 13.547 -8.518) 28.402 5.902 ( 3.650 2.107 16.662) 17.187 6.037 ( -4.902 -2.830 6.830) 8.871 7.319 ( -2.342 -1.352 10.996) 11.323 ======================= Grid point 440 (152/288) ======================= q-point: (-0.21 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( -1.773 -1.024 0.696) 2.163 1.246 ( -2.323 -1.341 1.475) 3.061 1.416 ( -3.406 -1.966 3.102) 5.009 1.504 ( -3.410 -1.969 -0.699) 3.999 1.920 ( 10.052 5.803 -9.405) 14.939 2.781 ( -14.831 -8.563 3.431) 17.466 3.988 ( 14.830 8.562 7.479) 18.686 4.339 ( 5.955 3.438 -1.303) 6.999 5.929 ( -5.091 -2.939 3.753) 6.975 5.966 ( 6.548 3.780 2.206) 7.876 5.973 ( 10.454 6.036 -2.095) 12.252 7.243 ( -7.013 -4.049 8.308) 11.602 ======================= Grid point 441 (153/288) ======================= q-point: (-0.14 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( -5.596 -3.231 4.173) 7.692 1.162 ( -5.316 -3.069 4.027) 7.341 1.354 ( -3.165 -1.828 1.521) 3.959 1.435 ( -2.144 -1.238 -0.941) 2.649 2.098 ( 5.179 2.990 -4.365) 7.403 2.378 ( -18.606 -10.742 0.888) 21.503 4.351 ( -6.555 -3.785 5.488) 9.350 4.509 ( 23.558 13.601 16.132) 31.626 5.857 ( -8.263 -4.771 5.040) 10.791 5.873 ( 0.918 0.530 -1.455) 1.800 6.325 ( 13.914 8.034 -12.356) 20.269 7.046 ( -11.073 -6.393 2.160) 12.968 ======================= Grid point 446 (154/288) ======================= q-point: ( 0.21 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.201 ( -0.000 15.233 0.852) 15.257 0.733 ( -0.000 10.723 13.373) 17.141 0.977 ( -0.000 14.879 23.470) 27.789 1.287 ( 0.000 1.392 -3.658) 3.914 1.304 ( 0.000 2.929 -1.937) 3.511 2.239 ( -0.000 -3.615 13.411) 13.889 3.531 ( -0.000 15.534 28.135) 32.139 4.012 ( 0.000 52.718 -13.584) 54.441 5.760 ( -0.000 -3.499 42.863) 43.006 6.235 ( 0.000 -7.162 -3.803) 8.109 6.373 ( -0.000 -0.488 9.431) 9.444 7.139 ( -0.000 -7.011 0.267) 7.016 ======================= Grid point 447 (155/288) ======================= q-point: ( 0.29 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.455 ( 5.101 22.096 -6.349) 23.549 0.675 ( -14.289 12.387 16.882) 25.350 1.230 ( 1.470 1.368 1.036) 2.260 1.317 ( 1.693 1.784 -2.017) 3.181 1.525 ( 17.780 12.245 9.614) 23.632 2.242 ( -0.758 -1.074 6.349) 6.484 3.675 ( -6.790 20.703 19.334) 29.130 4.740 ( 24.665 31.206 -15.538) 42.704 5.539 ( -23.048 -10.898 16.344) 30.283 6.219 ( 2.202 -8.088 -2.344) 8.704 6.473 ( 5.414 1.301 22.741) 23.413 7.033 ( -2.042 -9.652 0.130) 9.867 ======================= Grid point 448 (156/288) ======================= q-point: ( 0.36 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( -5.037 10.634 14.142) 18.397 0.732 ( 4.711 18.440 -6.273) 20.039 1.239 ( 0.463 0.049 -3.378) 3.410 1.365 ( 2.086 2.220 -0.932) 3.186 1.977 ( 16.015 10.007 5.087) 19.558 2.240 ( 0.040 0.330 3.493) 3.509 3.845 ( -3.532 19.753 8.563) 21.817 4.948 ( -25.954 -8.423 -1.004) 27.305 5.304 ( 12.906 7.034 -4.298) 15.314 6.122 ( -2.131 -8.289 0.583) 8.578 6.615 ( 0.762 2.030 11.014) 11.225 6.893 ( -1.755 -10.481 -0.287) 10.631 ======================= Grid point 449 (157/288) ======================= q-point: ( 0.43 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( 1.790 7.214 6.890) 10.136 0.942 ( 3.328 13.174 -5.812) 14.778 1.238 ( 0.821 -0.592 -2.217) 2.437 1.432 ( 2.754 2.871 0.232) 3.985 2.190 ( 2.322 0.452 -2.071) 3.144 2.401 ( 10.207 9.845 5.352) 15.158 3.971 ( -5.531 17.844 -2.244) 18.815 4.394 ( -24.298 -8.168 2.403) 25.747 5.447 ( 3.565 -3.833 -6.841) 8.614 6.004 ( -2.160 -8.927 3.199) 9.726 6.573 ( -9.013 -2.075 -3.835) 10.013 6.814 ( 4.108 -3.907 -0.362) 5.680 ======================= Grid point 450 (158/288) ======================= q-point: ( 0.50 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( 5.092 4.262 2.348) 7.043 1.088 ( 2.252 9.530 -4.890) 10.945 1.244 ( 1.471 -0.157 -0.945) 1.755 1.517 ( 2.995 3.375 0.821) 4.586 2.191 ( -1.493 -1.232 -0.912) 2.140 2.676 ( 7.775 10.029 1.631) 12.794 3.991 ( -12.763 15.073 -9.165) 21.773 4.037 ( -6.797 1.097 0.997) 6.956 5.374 ( -2.574 -5.861 -4.014) 7.556 5.858 ( -3.014 -17.210 3.353) 17.791 6.305 ( -13.112 0.539 -9.862) 16.416 6.925 ( 8.972 -0.119 0.368) 8.980 ======================= Grid point 451 (159/288) ======================= q-point: ( 0.57 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( 4.069 1.214 -1.644) 4.553 1.159 ( 0.173 3.819 -3.125) 4.938 1.320 ( 4.778 4.618 -2.130) 6.978 1.600 ( 1.916 3.496 0.521) 4.021 2.085 ( -7.763 -2.739 -1.633) 8.393 2.889 ( 5.796 7.970 1.105) 9.917 3.893 ( -5.622 9.769 -9.726) 14.888 4.124 ( 4.260 14.257 -2.390) 15.071 5.177 ( -15.412 -4.861 -9.552) 18.772 5.592 ( 0.873 -19.659 3.780) 20.038 6.180 ( -3.934 5.365 -1.601) 6.843 7.094 ( 9.396 -0.874 4.524) 10.465 ======================= Grid point 452 (160/288) ======================= q-point: ( 0.64 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( 2.999 -0.430 -4.160) 5.146 1.193 ( 1.227 2.648 -1.904) 3.485 1.436 ( 4.561 2.995 -4.297) 6.945 1.650 ( -0.218 3.092 -0.396) 3.125 1.888 ( -10.598 -0.414 -2.965) 11.013 3.043 ( 3.970 3.506 2.539) 5.873 3.913 ( -0.189 10.475 -11.283) 15.397 4.274 ( -7.349 2.802 -8.357) 11.476 4.868 ( -0.001 6.328 -10.704) 12.434 5.608 ( 10.557 -8.913 14.073) 19.722 6.186 ( -2.094 3.649 2.735) 5.018 7.250 ( 6.886 -1.513 8.804) 11.279 ======================= Grid point 453 (161/288) ======================= q-point: (-0.29 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( 2.889 -1.678 -4.361) 5.494 1.235 ( 1.426 1.298 -0.573) 2.012 1.490 ( 2.082 -3.424 -3.314) 5.200 1.623 ( -3.657 -1.210 -2.054) 4.365 1.770 ( -4.901 10.654 -5.091) 12.785 3.087 ( -1.828 -1.644 3.572) 4.337 3.891 ( -5.846 -4.210 -12.142) 14.118 4.118 ( -1.050 13.946 -7.002) 15.640 5.197 ( 19.344 10.682 -3.907) 22.440 5.786 ( 10.442 -4.441 14.003) 18.023 6.179 ( -3.643 2.934 3.655) 5.937 7.346 ( 2.147 -2.150 10.350) 10.787 ======================= Grid point 454 (162/288) ======================= q-point: (-0.21 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( 1.867 -3.134 -1.400) 3.908 1.252 ( 0.197 -1.133 0.264) 1.180 1.428 ( -1.435 -4.495 -0.284) 4.727 1.556 ( -3.195 -0.501 -0.154) 3.238 1.849 ( 2.561 11.098 -8.076) 13.962 2.961 ( -10.493 -4.315 3.441) 11.856 3.870 ( 8.521 5.058 0.598) 9.927 4.293 ( 5.196 11.722 -5.601) 13.992 5.548 ( 15.934 -7.973 1.953) 17.924 5.950 ( 6.131 3.250 3.845) 7.933 6.156 ( -3.825 5.823 0.338) 6.975 7.337 ( -3.828 -3.259 8.348) 9.745 ======================= Grid point 455 (163/288) ======================= q-point: (-0.14 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( -2.101 -7.720 4.006) 8.947 1.225 ( -2.018 -1.247 0.837) 2.516 1.370 ( -1.271 -2.676 -1.021) 3.134 1.486 ( -4.100 -0.299 0.685) 4.168 2.010 ( 6.899 6.821 -5.009) 10.918 2.658 ( -19.375 -4.781 2.019) 20.059 4.266 ( 21.207 9.930 9.363) 25.219 4.441 ( 1.415 8.388 -0.163) 8.508 5.596 ( 9.394 -21.185 3.235) 23.399 5.984 ( -5.948 -1.996 2.069) 6.607 6.278 ( 6.785 15.950 -10.824) 20.435 7.196 ( -10.080 -4.452 3.251) 11.489 ======================= Grid point 461 (164/288) ======================= q-point: ( 0.29 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.630 ( 0.000 24.491 -9.137) 26.140 0.983 ( -0.000 6.515 8.999) 11.110 1.263 ( -0.000 2.425 4.928) 5.493 1.296 ( 0.000 2.395 -4.557) 5.148 1.518 ( -0.000 16.546 12.256) 20.590 2.248 ( -0.000 -1.587 1.788) 2.391 4.013 ( -0.000 14.959 16.568) 22.322 4.835 ( 0.000 36.496 -9.832) 37.797 5.741 ( -0.000 -11.322 2.695) 11.638 6.038 ( 0.000 -8.854 -3.037) 9.360 6.501 ( -0.000 -2.005 29.248) 29.317 6.935 ( -0.000 -12.720 0.599) 12.734 ======================= Grid point 462 (165/288) ======================= q-point: ( 0.36 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( 1.695 19.790 -7.592) 21.264 0.973 ( -8.637 7.545 10.195) 15.345 1.242 ( -1.991 1.037 -2.261) 3.186 1.352 ( 2.153 2.799 -1.262) 3.750 1.863 ( 12.020 14.844 8.122) 20.755 2.236 ( 0.768 -1.118 0.129) 1.363 4.149 ( -3.433 13.854 8.220) 16.471 5.185 ( 6.783 16.936 -6.702) 19.436 5.349 ( -24.447 -8.936 -1.270) 26.060 6.024 ( 3.361 -8.208 -1.089) 8.936 6.605 ( 5.042 -6.189 16.923) 18.712 6.799 ( -1.701 -9.151 0.504) 9.322 ======================= Grid point 463 (166/288) ======================= q-point: ( 0.43 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( -5.618 7.620 7.806) 12.270 1.018 ( 0.614 13.110 -5.835) 14.363 1.219 ( -0.343 0.170 -1.295) 1.350 1.422 ( 2.406 3.783 0.177) 4.486 2.135 ( 4.536 2.534 -1.053) 5.301 2.351 ( 8.959 10.311 3.820) 14.183 4.236 ( -3.488 10.328 1.882) 11.063 4.832 ( -26.914 -0.584 2.452) 27.032 5.310 ( 2.422 -2.320 -6.508) 7.322 5.960 ( -1.591 -7.826 1.834) 8.194 6.551 ( 1.478 -17.428 -1.985) 17.603 6.769 ( -1.257 5.160 -0.980) 5.401 ======================= Grid point 464 (167/288) ======================= q-point: ( 0.50 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( -1.800 7.278 7.383) 10.522 1.127 ( 2.152 8.927 -5.683) 10.799 1.217 ( 0.114 -0.706 0.481) 0.862 1.512 ( 2.645 4.586 1.201) 5.429 2.183 ( 1.367 -0.341 0.036) 1.409 2.646 ( 8.854 11.986 0.318) 14.905 4.189 ( -8.295 -0.374 0.058) 8.303 4.502 ( -22.019 21.194 1.570) 30.602 5.256 ( 3.112 -11.807 -0.647) 12.227 5.810 ( -6.016 -11.166 1.568) 12.780 6.365 ( -1.708 -12.498 -11.561) 17.111 6.804 ( 1.829 3.797 -5.028) 6.561 ======================= Grid point 465 (168/288) ======================= q-point: ( 0.57 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( -1.318 5.989 4.908) 7.855 1.192 ( -1.132 2.058 -1.340) 2.704 1.272 ( 5.486 4.692 -1.894) 7.463 1.608 ( 2.227 4.650 1.272) 5.310 2.164 ( -3.497 -0.315 -1.111) 3.682 2.883 ( 5.935 8.741 0.120) 10.566 4.067 ( -5.782 3.854 2.416) 7.357 4.423 ( -15.445 26.524 -3.039) 30.843 5.227 ( 5.727 -9.996 6.029) 13.003 5.487 ( -14.621 -15.826 -4.913) 22.100 6.228 ( -0.066 -2.100 -11.817) 12.003 6.896 ( 9.162 -2.160 -1.588) 9.546 ======================= Grid point 466 (169/288) ======================= q-point: ( 0.64 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( -2.027 4.353 0.942) 4.893 1.199 ( 0.303 2.056 -0.734) 2.204 1.393 ( 3.562 3.219 -2.001) 5.202 1.679 ( 0.556 2.868 0.474) 2.959 2.058 ( -8.224 3.338 -3.786) 9.650 3.032 ( 3.405 3.976 2.016) 5.609 4.038 ( -5.064 4.601 -1.565) 7.018 4.474 ( -7.936 19.069 -0.778) 20.669 5.021 ( -15.806 0.212 -13.878) 21.035 5.347 ( 12.698 -9.204 12.811) 20.250 6.212 ( 1.255 0.357 -6.008) 6.148 7.062 ( 12.744 -4.794 3.882) 14.158 ======================= Grid point 467 (170/288) ======================= q-point: (-0.29 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( -2.274 2.648 -1.711) 3.887 1.230 ( 0.772 1.638 -0.236) 1.826 1.440 ( 0.907 -0.549 -2.144) 2.392 1.665 ( -2.860 -1.061 -1.398) 3.356 1.974 ( -7.130 11.144 -4.517) 13.980 3.094 ( 0.751 -0.786 2.972) 3.165 3.907 ( -6.716 -5.492 -10.640) 13.728 4.397 ( -13.329 15.589 -0.793) 20.526 5.040 ( 8.937 8.833 -1.003) 12.605 5.579 ( 13.762 0.149 8.963) 16.424 6.215 ( 0.767 -0.716 -2.901) 3.085 7.238 ( 9.903 -4.810 6.667) 12.871 ======================= Grid point 468 (171/288) ======================= q-point: (-0.21 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( -0.394 -0.258 -2.150) 2.201 1.242 ( -0.300 -0.535 0.195) 0.644 1.406 ( -1.022 -2.867 -1.337) 3.324 1.601 ( -2.607 0.042 -0.748) 2.713 1.981 ( -4.960 12.054 -4.160) 13.682 3.060 ( -3.723 -2.554 2.153) 5.002 3.779 ( 3.283 -0.857 -5.811) 6.729 4.412 ( -4.564 15.973 -1.006) 16.643 5.260 ( 10.635 -6.900 7.319) 14.638 5.852 ( 10.627 7.272 -0.602) 12.891 6.208 ( 0.376 -0.022 -3.644) 3.664 7.330 ( 3.409 -4.884 5.311) 7.980 ======================= Grid point 469 (172/288) ======================= q-point: (-0.14 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( -0.670 -4.607 2.500) 5.284 1.221 ( -0.117 -1.145 -0.542) 1.272 1.363 ( -1.117 -1.469 -1.852) 2.614 1.554 ( -3.395 -0.375 1.534) 3.744 2.015 ( -0.746 8.126 -2.703) 8.596 2.911 ( -11.793 -1.902 0.943) 11.983 4.013 ( 18.827 6.051 3.562) 20.094 4.517 ( 0.482 12.633 -2.389) 12.866 5.278 ( 4.667 -19.967 8.045) 22.027 6.019 ( 1.012 0.499 -2.744) 2.967 6.259 ( 5.766 8.927 -10.463) 14.914 7.284 ( -3.893 -5.385 0.954) 6.713 ======================= Grid point 476 (173/288) ======================= q-point: ( 0.36 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( 0.000 16.563 -5.933) 17.594 1.101 ( -0.000 1.793 1.011) 2.058 1.302 ( 0.000 0.593 -0.153) 0.613 1.343 ( 0.000 4.301 -0.852) 4.385 1.955 ( -0.000 16.727 7.304) 18.253 2.209 ( -0.000 -0.155 0.030) 0.158 4.250 ( 0.000 1.960 -2.355) 3.064 5.183 ( 0.000 -9.093 -1.214) 9.173 5.607 ( 0.000 12.901 -13.352) 18.567 5.909 ( -0.000 -1.896 2.352) 3.021 6.457 ( -0.000 -20.918 13.459) 24.873 6.793 ( -0.000 2.358 4.539) 5.115 ======================= Grid point 477 (174/288) ======================= q-point: ( 0.43 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( -2.912 2.701 -3.828) 5.517 1.136 ( -0.262 9.489 -2.596) 9.841 1.261 ( -3.019 0.693 1.002) 3.256 1.419 ( 2.602 4.315 0.140) 5.041 2.083 ( 2.806 -0.739 -0.457) 2.938 2.350 ( 6.008 15.677 4.433) 17.364 4.249 ( 3.836 -3.827 -6.980) 8.836 4.977 ( -3.077 -18.656 -5.647) 19.733 5.540 ( -16.825 14.492 -3.246) 22.441 5.933 ( -0.886 -1.483 1.843) 2.526 6.284 ( 2.954 -23.958 1.983) 24.221 6.864 ( -0.692 9.501 -0.246) 9.530 ======================= Grid point 478 (175/288) ======================= q-point: ( 0.50 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( 0.898 2.345 -1.423) 2.886 1.187 ( -1.635 5.869 -1.483) 6.270 1.240 ( -1.304 1.214 1.123) 2.106 1.518 ( 2.919 4.978 0.997) 5.856 2.123 ( 4.379 -2.939 1.555) 5.498 2.637 ( 6.657 14.876 0.343) 16.301 4.248 ( 0.745 -3.647 -3.209) 4.914 4.796 ( 4.461 -11.393 -2.215) 12.434 5.332 ( -19.948 9.615 2.562) 22.292 5.836 ( -6.214 -4.983 -0.068) 7.966 6.096 ( 3.892 -21.092 -9.763) 23.566 6.908 ( -5.154 10.157 -6.874) 13.303 ======================= Grid point 479 (176/288) ======================= q-point: ( 0.57 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( 2.358 4.671 4.408) 6.842 1.201 ( 0.107 -0.278 0.284) 0.411 1.252 ( 0.639 5.339 -2.239) 5.824 1.620 ( 2.469 4.598 1.430) 5.411 2.174 ( 2.672 -1.129 1.304) 3.180 2.864 ( 5.106 9.389 -1.089) 10.743 4.184 ( -3.666 -0.313 1.822) 4.106 4.890 ( 10.669 -2.184 6.247) 12.555 5.087 ( -19.016 8.598 5.714) 21.637 5.610 ( -12.252 -6.617 -5.552) 14.991 5.988 ( 10.427 -13.983 -15.933) 23.624 6.857 ( -5.472 5.412 -8.206) 11.251 ======================= Grid point 480 (177/288) ======================= q-point: ( 0.64 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( -1.692 3.207 0.525) 3.663 1.221 ( -0.264 2.833 2.231) 3.616 1.352 ( 4.098 3.230 -0.796) 5.278 1.691 ( 0.956 1.799 0.938) 2.243 2.200 ( -2.077 5.581 -1.074) 6.051 2.994 ( 3.638 1.802 -0.227) 4.066 4.127 ( -3.649 -4.550 5.607) 8.091 4.909 ( -14.364 9.952 9.285) 19.789 5.110 ( 9.341 7.027 5.766) 13.034 5.274 ( -16.092 -0.536 -10.728) 19.347 6.054 ( 12.198 -6.697 -13.339) 19.276 6.833 ( 4.558 -1.999 -3.174) 5.903 ======================= Grid point 481 (178/288) ======================= q-point: ( 0.71 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( -2.689 4.227 0.521) 5.036 1.246 ( -0.873 2.608 1.747) 3.258 1.414 ( 1.299 -0.127 -1.353) 1.880 1.687 ( -1.413 -1.352 -0.618) 2.051 2.213 ( -6.735 13.558 -2.669) 15.372 3.041 ( 3.552 -4.439 1.347) 5.842 3.939 ( -8.247 -11.458 -2.440) 14.327 4.831 ( -13.799 13.206 12.065) 22.592 5.043 ( -4.779 2.387 -6.149) 8.145 5.429 ( 11.519 13.283 3.772) 17.982 6.121 ( 5.580 -3.648 -10.275) 12.248 6.966 ( 14.109 -6.011 1.895) 15.453 ======================= Grid point 482 (179/288) ======================= q-point: (-0.21 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( -6.614 3.278 1.856) 7.612 1.251 ( -0.724 0.194 0.441) 0.870 1.394 ( -0.752 -1.924 -1.487) 2.546 1.641 ( -2.046 0.027 -0.671) 2.154 2.213 ( -8.286 12.922 -1.992) 15.479 3.050 ( 2.250 -4.283 1.133) 4.969 3.713 ( -2.168 -5.939 -5.458) 8.352 4.748 ( -14.134 14.302 6.370) 21.093 5.063 ( 6.309 -7.435 6.268) 11.592 5.765 ( 9.922 12.879 -1.578) 16.335 6.132 ( 3.747 -2.608 -8.905) 10.007 7.147 ( 11.515 -6.400 1.180) 13.227 ======================= Grid point 483 (180/288) ======================= q-point: (-0.14 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( -4.980 -0.419 4.216) 6.539 1.229 ( -1.412 -0.163 -0.506) 1.509 1.366 ( -0.865 -0.230 -1.413) 1.673 1.610 ( -2.473 0.497 1.582) 2.977 2.161 ( -7.419 6.438 -0.823) 9.858 3.028 ( -3.012 -1.018 -0.205) 3.186 3.784 ( 12.546 2.786 1.963) 13.000 4.689 ( -7.183 9.783 1.798) 12.270 5.064 ( 2.789 -15.081 7.255) 16.966 5.961 ( 4.179 0.239 -5.861) 7.203 6.193 ( 6.238 6.903 -10.025) 13.677 7.216 ( 3.990 -6.704 -3.236) 8.447 ======================= Grid point 491 (181/288) ======================= q-point: ( 0.43 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( 0.000 -0.611 -3.508) 3.561 1.207 ( 0.000 7.053 -6.013) 9.269 1.280 ( 0.000 -1.725 -1.460) 2.259 1.439 ( -0.000 4.400 1.282) 4.583 2.015 ( -0.000 -6.427 1.156) 6.530 2.505 ( -0.000 20.434 3.783) 20.781 4.071 ( 0.000 -11.673 -14.625) 18.712 4.756 ( 0.000 -21.987 -9.754) 24.054 5.769 ( 0.000 0.430 -9.617) 9.627 5.999 ( -0.000 6.865 4.780) 8.365 6.024 ( -0.000 -20.941 5.152) 21.566 6.990 ( 0.000 14.485 -1.494) 14.562 ======================= Grid point 492 (182/288) ======================= q-point: ( 0.50 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( -1.099 -0.414 -3.296) 3.499 1.222 ( 0.641 -0.535 -5.243) 5.309 1.276 ( -0.564 2.449 -0.128) 2.516 1.514 ( 2.933 4.233 0.796) 5.211 1.990 ( 4.614 -7.785 4.043) 9.912 2.732 ( 2.042 17.631 0.431) 17.754 4.024 ( 13.165 -9.511 -10.503) 19.341 4.512 ( 1.547 -20.802 -8.563) 22.548 5.584 ( -4.091 -17.286 -4.869) 18.419 5.887 ( -4.110 -3.435 -3.384) 6.336 6.004 ( -8.660 6.033 1.893) 10.723 7.103 ( -4.438 14.800 -4.949) 16.224 ======================= Grid point 493 (183/288) ======================= q-point: ( 0.57 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( 5.213 2.039 2.290) 6.047 1.210 ( 0.374 -0.998 -1.902) 2.180 1.292 ( -0.260 3.071 -1.452) 3.407 1.616 ( 3.291 3.677 0.950) 5.025 2.040 ( 7.948 -6.740 3.521) 10.999 2.917 ( 1.527 12.355 -0.923) 12.483 4.170 ( 3.832 -4.091 1.171) 5.726 4.452 ( 22.152 -15.678 -2.233) 27.230 5.350 ( 0.710 -15.943 -5.559) 16.899 5.729 ( -10.584 1.321 -10.854) 15.218 5.874 ( -12.296 5.776 2.092) 13.745 7.075 ( -11.029 11.063 -8.284) 17.682 ======================= Grid point 494 (184/288) ======================= q-point: ( 0.64 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( 1.376 -0.156 -0.221) 1.402 1.246 ( 3.333 3.158 1.427) 4.808 1.330 ( 1.608 2.957 0.181) 3.371 1.687 ( 1.348 0.595 1.283) 1.954 2.164 ( 9.776 -0.184 0.908) 9.820 3.007 ( -1.789 5.353 -0.797) 5.700 4.089 ( -0.693 -14.918 8.848) 17.358 4.814 ( 17.631 2.032 5.584) 18.605 5.337 ( 11.890 -3.971 -0.622) 12.551 5.478 ( -15.065 4.592 -16.888) 23.092 5.749 ( -5.413 1.633 0.025) 5.654 6.921 ( -12.060 6.532 -7.892) 15.823 ======================= Grid point 495 (185/288) ======================= q-point: ( 0.71 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( 1.009 1.349 -0.468) 1.748 1.312 ( 0.154 3.371 1.460) 3.677 1.383 ( 1.434 -0.071 0.069) 1.438 1.685 ( -0.438 -1.862 0.231) 1.927 2.373 ( 6.599 10.666 -0.534) 12.553 2.956 ( -3.229 -4.634 -0.303) 5.656 3.912 ( -3.950 -16.974 6.600) 18.636 5.005 ( -0.407 1.043 1.909) 2.213 5.269 ( -8.552 7.098 -6.631) 12.942 5.546 ( -3.125 17.652 11.606) 21.356 5.809 ( 19.051 -7.639 -12.334) 23.946 6.800 ( -2.303 1.541 -3.050) 4.121 ======================= Grid point 496 (186/288) ======================= q-point: (-0.21 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( 0.176 1.559 -0.463) 1.636 1.309 ( -4.632 -0.430 2.508) 5.285 1.380 ( 0.481 -0.581 -1.169) 1.391 1.662 ( -0.584 -0.189 -0.292) 0.680 2.516 ( -8.923 15.270 0.046) 17.686 2.885 ( 7.486 -10.003 -0.327) 12.498 3.693 ( -4.605 -8.936 -0.940) 10.097 4.946 ( -0.555 -6.082 -0.314) 6.115 5.175 ( -14.622 9.560 10.538) 20.402 5.716 ( 7.108 3.532 -0.763) 7.974 6.010 ( 7.458 6.083 -9.243) 13.343 6.876 ( 10.482 -2.503 -0.473) 10.787 ======================= Grid point 497 (187/288) ======================= q-point: (-0.14 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( -6.410 -2.270 3.589) 7.689 1.248 ( -0.794 0.165 -0.702) 1.072 1.384 ( -0.784 1.531 -0.338) 1.753 1.656 ( -1.110 1.071 0.985) 1.830 2.383 ( -12.547 1.854 0.570) 12.696 2.989 ( 6.182 -0.199 -1.036) 6.271 3.661 ( 5.782 3.278 1.535) 6.822 4.841 ( -2.700 -10.550 1.307) 10.968 5.049 ( -11.196 4.433 10.096) 15.714 5.798 ( 7.361 -8.730 -9.401) 14.791 6.175 ( 3.492 12.390 -4.801) 13.739 7.021 ( 8.888 -3.805 -4.892) 10.836 ======================= Grid point 506 (188/288) ======================= q-point: ( 0.50 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( 0.000 -1.256 -2.976) 3.230 1.146 ( 0.000 -4.357 -8.305) 9.379 1.299 ( 0.000 1.445 -0.703) 1.607 1.525 ( -0.000 3.291 0.986) 3.435 1.875 ( -0.000 -9.633 7.667) 12.312 2.888 ( 0.000 15.460 -1.866) 15.573 3.708 ( 0.000 -12.364 -13.174) 18.067 4.285 ( 0.000 -17.870 -5.682) 18.751 5.349 ( 0.000 -24.042 -7.538) 25.196 5.918 ( 0.000 2.230 -5.821) 6.234 6.181 ( -0.000 7.776 1.675) 7.954 7.293 ( 0.000 15.624 -4.181) 16.174 ======================= Grid point 507 (189/288) ======================= q-point: ( 0.57 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( 2.816 0.633 1.461) 3.235 1.131 ( 4.214 -3.691 -5.664) 7.966 1.307 ( 0.187 0.911 -0.896) 1.292 1.591 ( 3.266 2.752 0.692) 4.326 1.847 ( 5.035 -9.648 7.758) 13.365 3.018 ( 0.618 11.167 -2.919) 11.559 3.801 ( 25.197 -6.382 -6.450) 26.781 4.104 ( -0.554 -15.834 1.865) 15.953 5.104 ( 0.375 -17.345 -10.827) 20.450 5.876 ( -5.969 3.669 -7.194) 10.042 6.175 ( -8.881 7.039 1.233) 11.400 7.352 ( -8.046 12.393 -5.922) 15.919 ======================= Grid point 508 (190/288) ======================= q-point: ( 0.64 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( 3.745 -0.411 0.264) 3.777 1.182 ( 6.160 0.978 -0.808) 6.290 1.331 ( 1.367 1.594 0.698) 2.213 1.664 ( 2.037 -0.371 1.878) 2.796 1.928 ( 11.952 -5.339 3.283) 13.495 3.105 ( -1.150 6.742 -1.824) 7.078 3.944 ( 0.482 -17.826 7.773) 19.453 4.360 ( 37.554 2.853 2.102) 37.721 4.978 ( 4.868 -8.099 -10.679) 14.260 5.727 ( -12.337 4.634 -11.500) 17.491 6.055 ( -12.667 6.148 5.193) 15.008 7.234 ( -14.615 9.164 -6.523) 18.443 ======================= Grid point 509 (191/288) ======================= q-point: ( 0.71 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( 2.606 0.356 -0.235) 2.640 1.284 ( 4.511 0.460 -1.449) 4.760 1.376 ( 0.632 0.687 2.043) 2.246 1.667 ( 0.365 -2.549 1.320) 2.893 2.181 ( 17.563 1.118 0.457) 17.604 3.068 ( -7.537 1.341 -1.103) 7.735 3.802 ( -0.601 -15.715 9.557) 18.402 5.001 ( 6.815 9.468 0.899) 11.700 5.067 ( 30.819 -9.999 -10.793) 34.151 5.529 ( -6.806 8.086 -8.479) 13.550 5.913 ( -12.562 5.006 10.500) 17.121 7.025 ( -15.424 7.449 -3.817) 17.549 ======================= Grid point 510 (192/288) ======================= q-point: (-0.21 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( 1.462 0.764 0.375) 1.692 1.330 ( 0.371 -4.325 -1.803) 4.701 1.369 ( 0.317 0.998 0.999) 1.447 1.660 ( 0.462 -0.390 0.197) 0.636 2.520 ( 18.360 0.504 -0.806) 18.385 2.882 ( -13.219 0.845 0.413) 13.252 3.670 ( -2.450 -8.205 3.382) 9.206 4.967 ( -7.140 -2.930 -4.398) 8.882 5.280 ( 10.847 -5.308 -9.890) 15.609 5.694 ( -4.427 2.306 3.272) 5.969 5.919 ( 10.717 11.733 9.009) 18.268 6.872 ( -7.924 6.231 0.301) 10.085 ======================= Grid point 511 (193/288) ======================= q-point: (-0.14 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( -3.039 -5.265 -0.000) 6.079 1.254 ( 0.023 0.040 -0.000) 0.046 1.404 ( 0.779 1.350 -0.000) 1.558 1.673 ( 0.475 0.822 -0.000) 0.950 2.553 ( -7.399 -12.816 -0.000) 14.799 2.883 ( 6.010 10.410 0.000) 12.021 3.635 ( 2.533 4.387 -0.000) 5.066 4.791 ( -5.050 -8.748 0.000) 10.101 5.313 ( -1.905 -3.300 -0.000) 3.811 5.567 ( -3.609 -6.251 0.000) 7.218 6.223 ( 5.834 10.105 -0.000) 11.668 6.890 ( 2.548 4.413 0.000) 5.096 ======================= Grid point 522 (194/288) ======================= q-point: ( 0.57 0.57 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( 0.000 -0.346 -0.070) 0.353 1.022 ( 0.000 -3.017 -1.208) 3.250 1.307 ( -0.000 0.227 0.003) 0.227 1.583 ( -0.000 1.756 0.819) 1.937 1.740 ( -0.000 -9.117 9.306) 13.028 3.093 ( 0.000 7.765 -4.570) 9.010 3.488 ( 0.000 -2.815 -2.598) 3.831 3.977 ( -0.000 -14.274 7.338) 16.049 4.938 ( 0.000 -6.644 -13.228) 14.803 5.955 ( 0.000 4.901 -4.794) 6.856 6.305 ( 0.000 4.222 -2.033) 4.686 7.520 ( 0.000 9.471 -6.009) 11.217 ======================= Grid point 523 (195/288) ======================= q-point: ( 0.64 0.57 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( 3.851 -2.730 -1.882) 5.081 1.104 ( 5.833 3.146 4.220) 7.857 1.324 ( 1.232 1.164 1.835) 2.498 1.626 ( 2.150 -0.599 1.725) 2.821 1.724 ( 5.847 -6.273 5.981) 10.455 3.151 ( 0.644 4.293 -3.373) 5.498 3.711 ( 18.636 -0.404 1.056) 18.671 3.891 ( 7.436 -10.008 12.114) 17.384 4.895 ( 0.965 4.907 -9.884) 11.077 5.926 ( -7.679 5.135 -5.932) 10.978 6.270 ( -6.201 2.120 -1.190) 6.660 7.501 ( -8.247 6.117 -6.317) 12.056 ======================= Grid point 524 (196/288) ======================= q-point: (-0.29 -0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( 6.506 -2.779 -2.426) 7.479 1.220 ( 2.877 1.576 0.906) 3.403 1.379 ( 1.099 1.185 3.424) 3.786 1.629 ( 1.142 -3.242 2.121) 4.039 1.899 ( 14.701 0.216 2.542) 14.921 3.153 ( -2.114 -0.310 -2.567) 3.340 3.720 ( -1.070 -7.859 7.393) 10.842 4.383 ( 33.862 -1.221 0.645) 33.890 5.024 ( 4.513 13.785 0.257) 14.507 5.754 ( -12.862 4.644 -8.788) 16.255 6.155 ( -8.512 0.875 4.275) 9.565 7.344 ( -13.087 4.716 -3.800) 14.421 ======================= Grid point 525 (197/288) ======================= q-point: (-0.21 -0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( 6.243 -2.873 -2.055) 7.173 1.258 ( 1.298 -1.336 -1.016) 2.122 1.378 ( -0.969 -1.290 1.702) 2.345 1.637 ( 1.515 -0.865 0.226) 1.759 2.197 ( 16.671 -0.559 1.136) 16.719 3.061 ( -6.019 -0.734 -1.058) 6.155 3.663 ( -1.975 -1.766 4.186) 4.954 4.813 ( 20.830 -7.496 -6.601) 23.100 5.136 ( -7.752 3.509 -7.797) 11.541 5.735 ( 5.897 12.693 3.904) 14.530 6.037 ( -7.506 1.435 10.374) 12.885 7.149 ( -13.245 4.981 0.855) 14.176 ======================= Grid point 537 (198/288) ======================= q-point: (-0.36 -0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( -0.000 1.645 2.785) 3.235 1.063 ( -0.000 5.180 7.246) 8.907 1.333 ( -0.000 1.796 3.323) 3.777 1.603 ( -0.000 -0.371 0.716) 0.806 1.628 ( -0.000 -6.816 5.480) 8.746 3.174 ( 0.000 2.219 -2.387) 3.259 3.579 ( -0.000 9.098 9.266) 12.986 3.787 ( -0.000 -8.288 7.845) 11.412 4.953 ( 0.000 13.423 -5.888) 14.658 6.039 ( 0.000 5.143 -2.555) 5.743 6.313 ( 0.000 -1.200 -5.134) 5.272 7.589 ( 0.000 1.811 -7.298) 7.519 ======================= Grid point 538 (199/288) ======================= q-point: (-0.29 -0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( -1.807 1.648 2.903) 3.796 1.204 ( 2.653 3.443 2.857) 5.202 1.390 ( 0.884 2.366 5.426) 5.985 1.584 ( 0.911 -2.940 1.769) 3.550 1.691 ( 9.998 -0.555 2.661) 10.361 3.153 ( -1.153 -2.378 -2.660) 3.749 3.725 ( -1.126 0.921 4.216) 4.459 3.947 ( 20.178 7.622 9.556) 23.592 5.132 ( 2.291 18.661 2.064) 18.914 5.979 ( -10.153 3.003 -5.356) 11.866 6.248 ( -2.651 -2.736 -2.095) 4.347 7.514 ( -5.729 -0.663 -5.971) 8.302 ======================= Grid point 539 (200/288) ======================= q-point: (-0.21 -0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( 2.401 -0.163 0.274) 2.422 1.242 ( 0.023 -0.214 0.257) 0.336 1.389 ( -1.511 -1.814 2.011) 3.101 1.597 ( 1.745 -0.947 -0.059) 1.986 1.944 ( 14.135 1.844 3.349) 14.642 3.081 ( -1.165 -5.058 -2.152) 5.618 3.741 ( -2.430 6.967 1.864) 7.611 4.400 ( 20.150 2.961 1.441) 20.417 5.310 ( -6.266 9.089 -2.179) 11.253 5.837 ( -3.497 8.224 1.384) 9.044 6.168 ( -3.943 -1.615 4.820) 6.433 7.365 ( -8.307 -0.870 -1.855) 8.556 ======================= Grid point 552 (201/288) ======================= q-point: (-0.29 -0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( -0.000 2.145 3.110) 3.778 1.230 ( -0.000 4.287 2.901) 5.176 1.454 ( -0.000 3.534 10.105) 10.706 1.562 ( -0.000 2.038 1.033) 2.285 1.573 ( -0.000 -2.843 0.259) 2.855 3.109 ( 0.000 -7.571 -3.596) 8.382 3.797 ( 0.000 7.461 -0.372) 7.471 3.922 ( -0.000 15.224 14.197) 20.817 5.334 ( -0.000 22.009 6.777) 23.029 6.097 ( 0.000 1.509 -2.604) 3.010 6.190 ( 0.000 -6.691 -7.302) 9.904 7.507 ( 0.000 -4.918 -6.962) 8.524 ======================= Grid point 553 (202/288) ======================= q-point: (-0.21 -0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( -3.603 2.189 2.582) 4.943 1.252 ( -0.928 0.079 0.323) 0.986 1.415 ( -3.275 -2.561 2.330) 4.766 1.558 ( 1.350 -2.021 -0.533) 2.488 1.779 ( 10.317 7.775 5.903) 14.203 2.995 ( 0.567 -11.567 -3.331) 12.050 3.890 ( -1.601 15.427 -3.247) 15.846 4.220 ( 10.484 11.495 8.865) 17.906 5.540 ( -6.789 14.373 3.755) 16.334 5.975 ( -5.095 1.675 -2.214) 5.802 6.163 ( 2.324 -3.964 -0.154) 4.598 7.404 ( -2.175 -6.548 -4.897) 8.461 ======================= Grid point 567 (203/288) ======================= q-point: (-0.21 -0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( -0.000 -0.409 0.604) 0.730 1.256 ( 0.000 -1.664 -0.651) 1.787 1.433 ( 0.000 -3.556 -0.064) 3.557 1.500 ( -0.000 -4.092 0.158) 4.095 1.833 ( -0.000 13.835 7.720) 15.843 2.818 ( 0.000 -18.013 -3.975) 18.447 4.075 ( 0.000 22.292 -9.710) 24.315 4.288 ( -0.000 10.745 8.813) 13.897 5.855 ( -0.000 21.556 12.539) 24.937 5.979 ( 0.000 -8.154 -6.163) 10.221 6.043 ( 0.000 -4.852 -4.228) 6.436 7.311 ( 0.000 -10.191 -5.199) 11.440 ======================= Grid point 644 (204/288) ======================= q-point: ( 0.21 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.539 ( -0.000 0.000 15.437) 15.437 0.539 ( -0.000 0.000 15.437) 15.437 0.820 ( -0.000 0.000 28.966) 28.966 1.265 ( 0.000 -0.000 -3.258) 3.258 1.265 ( 0.000 -0.000 -3.258) 3.258 2.365 ( -0.000 0.000 2.894) 2.894 3.412 ( -0.000 0.000 31.394) 31.394 3.412 ( -0.000 0.000 31.394) 31.394 6.033 ( -0.000 0.000 64.827) 64.827 6.326 ( 0.000 -0.000 -2.772) 2.772 6.326 ( 0.000 -0.000 -2.772) 2.772 7.208 ( -0.000 0.000 0.322) 0.322 ======================= Grid point 645 (205/288) ======================= q-point: ( 0.29 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.394 ( -3.951 -2.281 17.245) 17.839 0.522 ( -5.774 -3.334 20.587) 21.640 1.197 ( 5.980 3.452 5.886) 9.073 1.282 ( 1.746 1.008 -2.541) 3.243 1.329 ( 15.294 8.830 6.118) 18.690 2.305 ( -3.221 -1.860 4.622) 5.932 3.479 ( 1.754 1.013 27.033) 27.109 4.140 ( 37.978 21.926 4.661) 44.100 5.863 ( -21.878 -12.631 24.276) 35.036 6.322 ( -1.915 -1.105 -2.392) 3.257 6.500 ( 7.138 4.121 30.154) 31.260 7.156 ( -4.185 -2.416 0.480) 4.856 ======================= Grid point 646 (206/288) ======================= q-point: ( 0.36 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.501 ( 7.529 4.347 10.798) 13.863 0.538 ( 1.960 1.132 14.247) 14.426 1.218 ( 0.622 0.359 -5.295) 5.343 1.324 ( 2.418 1.396 -1.636) 3.237 1.799 ( 17.701 10.220 7.320) 21.710 2.263 ( -1.485 -0.857 3.100) 3.543 3.631 ( 4.272 2.466 16.746) 17.458 4.880 ( 20.934 12.086 -10.268) 26.263 5.372 ( -20.930 -12.084 14.762) 28.320 6.233 ( -4.682 -2.703 -2.083) 5.793 6.671 ( -0.871 -0.503 22.792) 22.814 7.039 ( -5.624 -3.247 1.070) 6.581 ======================= Grid point 647 (207/288) ======================= q-point: ( 0.43 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.665 ( 5.585 3.225 4.191) 7.691 0.731 ( 8.873 5.123 4.507) 11.193 1.224 ( 1.364 0.788 -4.460) 4.730 1.384 ( 3.080 1.778 -0.538) 3.597 2.135 ( 7.941 4.585 -2.257) 9.443 2.295 ( 5.483 3.166 6.744) 9.250 3.752 ( 2.535 1.463 4.055) 5.001 4.651 ( -24.542 -14.170 6.959) 29.181 5.407 ( 8.406 4.853 -6.218) 11.528 6.117 ( -4.173 -2.409 -0.541) 4.849 6.628 ( -6.478 -3.740 6.616) 9.986 6.911 ( -4.951 -2.859 1.576) 5.930 ======================= Grid point 648 (208/288) ======================= q-point: ( 0.50 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( 8.030 4.636 -1.344) 9.369 0.917 ( 6.198 3.578 0.374) 7.166 1.243 ( 0.764 0.441 -0.878) 1.245 1.464 ( 3.662 2.114 0.255) 4.236 2.195 ( 0.547 0.316 -2.679) 2.752 2.527 ( 9.909 5.721 3.634) 12.005 3.766 ( -0.618 -0.357 -7.293) 7.328 4.164 ( -16.800 -9.699 5.913) 20.280 5.444 ( -2.846 -1.643 -3.150) 4.553 6.059 ( -0.855 -0.494 2.506) 2.693 6.358 ( -16.737 -9.663 -6.482) 20.384 6.910 ( 4.624 2.670 2.094) 5.735 ======================= Grid point 649 (209/288) ======================= q-point: ( 0.57 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( 7.100 4.099 -3.711) 8.999 1.026 ( 3.600 2.079 -2.144) 4.678 1.263 ( 1.900 1.097 -0.051) 2.194 1.547 ( 3.198 1.846 0.167) 3.696 2.142 ( -4.934 -2.849 -2.774) 6.337 2.752 ( 8.812 5.087 2.160) 10.402 3.707 ( -0.450 -0.260 -13.878) 13.888 3.987 ( 1.266 0.731 2.108) 2.565 5.287 ( -11.375 -6.567 -1.220) 13.191 5.910 ( -15.319 -8.844 -8.779) 19.748 6.088 ( 1.736 1.002 5.529) 5.882 7.079 ( 7.666 4.426 5.047) 10.189 ======================= Grid point 650 (210/288) ======================= q-point: ( 0.64 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 2.163 1.249 -3.450) 4.260 1.108 ( 3.633 2.097 -5.064) 6.575 1.348 ( 5.019 2.898 -3.188) 6.615 1.605 ( 1.614 0.932 -0.303) 1.888 1.954 ( -9.477 -5.471 -3.125) 11.381 2.961 ( 8.074 4.662 2.514) 9.657 3.697 ( 4.322 2.495 -15.219) 16.016 4.162 ( 8.747 5.050 -4.140) 10.915 4.875 ( -16.154 -9.327 -10.200) 21.260 5.752 ( 0.990 0.572 6.936) 7.029 6.151 ( 1.250 0.722 7.501) 7.639 7.267 ( 5.937 3.428 9.135) 11.421 ======================= Grid point 651 (211/288) ======================= q-point: (-0.29 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( 1.652 0.954 -3.662) 4.129 1.181 ( 3.897 2.250 -3.815) 5.899 1.456 ( 6.167 3.561 -8.612) 11.175 1.616 ( -0.546 -0.315 -0.517) 0.816 1.719 ( -9.117 -5.264 -2.837) 10.903 3.106 ( 2.408 1.390 3.931) 4.815 3.820 ( 10.095 5.829 -13.771) 18.043 4.010 ( -13.688 -7.903 -13.563) 20.827 4.925 ( 18.773 10.839 -4.336) 22.107 5.886 ( 5.751 3.321 12.852) 14.467 6.174 ( -1.834 -1.059 8.342) 8.607 7.398 ( 2.063 1.191 11.146) 11.398 ======================= Grid point 652 (212/288) ======================= q-point: (-0.21 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( 1.277 0.737 -2.680) 3.059 1.249 ( 2.113 1.220 -1.063) 2.661 1.527 ( -4.844 -2.797 -2.723) 6.221 1.577 ( -2.645 -1.527 -0.376) 3.077 1.609 ( 8.641 4.989 -9.803) 13.988 3.068 ( -6.877 -3.970 4.439) 9.097 3.808 ( 1.377 0.795 -2.702) 3.135 4.052 ( 12.660 7.309 -11.805) 18.789 5.409 ( 22.089 12.753 -8.317) 26.828 6.036 ( 2.683 1.549 9.936) 10.408 6.113 ( -5.663 -3.269 8.043) 10.365 7.423 ( -3.046 -1.758 9.775) 10.388 ======================= Grid point 659 (213/288) ======================= q-point: ( 0.29 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.305 ( -0.000 -6.499 16.422) 17.661 0.856 ( -0.000 9.544 11.455) 14.910 1.197 ( -0.000 9.489 18.117) 20.452 1.241 ( 0.000 1.040 -5.698) 5.792 1.291 ( -0.000 6.758 1.963) 7.038 2.307 ( -0.000 -3.605 0.819) 3.697 3.803 ( -0.000 11.874 26.083) 28.658 4.001 ( -0.000 36.909 8.315) 37.834 6.074 ( -0.000 -15.822 15.689) 22.282 6.200 ( 0.000 -7.429 -3.141) 8.066 6.595 ( -0.000 4.225 37.621) 37.857 7.145 ( -0.000 -6.862 1.125) 6.953 ======================= Grid point 660 (214/288) ======================= q-point: ( 0.36 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.448 ( 6.182 11.696 5.006) 14.145 0.833 ( -11.969 10.354 14.831) 21.689 1.205 ( -0.957 1.005 -5.502) 5.675 1.297 ( 2.111 2.075 -2.264) 3.726 1.634 ( 15.665 11.839 11.874) 22.946 2.270 ( -0.429 -2.165 -0.530) 2.270 3.866 ( -9.091 16.375 18.842) 26.567 4.647 ( 20.991 26.165 -3.863) 33.766 5.672 ( -22.075 -16.287 10.217) 29.274 6.191 ( 2.695 -8.350 -3.232) 9.350 6.750 ( 0.745 -1.990 30.844) 30.917 7.040 ( -2.271 -9.802 1.583) 10.185 ======================= Grid point 661 (215/288) ======================= q-point: ( 0.43 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( 4.978 13.304 -1.064) 14.244 0.815 ( -6.659 9.688 13.746) 18.087 1.192 ( 0.785 1.249 -5.827) 6.011 1.356 ( 2.552 2.677 -0.979) 3.826 2.013 ( 11.887 7.783 2.340) 14.400 2.270 ( 2.405 0.813 2.290) 3.419 3.940 ( -7.698 16.167 10.283) 20.648 4.943 ( -15.211 -3.804 0.459) 15.686 5.289 ( 2.423 -1.106 0.617) 2.734 6.112 ( -0.965 -6.884 -2.429) 7.364 6.740 ( -5.912 -3.517 12.400) 14.180 6.901 ( -1.829 -11.945 2.626) 12.366 ======================= Grid point 662 (216/288) ======================= q-point: ( 0.50 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( -0.271 9.523 3.315) 10.087 0.911 ( 2.432 9.080 1.819) 9.575 1.219 ( 1.773 0.744 -1.416) 2.388 1.434 ( 3.003 3.345 0.208) 4.500 2.167 ( 2.539 1.471 -2.652) 3.956 2.444 ( 9.209 7.837 3.159) 12.498 3.965 ( -10.668 16.468 0.961) 19.645 4.446 ( -24.344 -10.372 7.748) 27.573 5.392 ( 4.709 -2.982 -3.877) 6.790 6.022 ( -0.662 -7.249 0.551) 7.300 6.543 ( -13.846 -7.413 -2.543) 15.910 6.816 ( 4.671 -5.386 0.757) 7.169 ======================= Grid point 663 (217/288) ======================= q-point: ( 0.57 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( 1.564 6.016 5.141) 8.067 1.044 ( 2.674 8.844 -3.742) 9.968 1.242 ( 1.338 -0.311 0.528) 1.471 1.524 ( 2.840 3.700 0.504) 4.691 2.172 ( -1.825 -0.549 -2.906) 3.475 2.693 ( 7.926 8.984 1.664) 12.095 3.912 ( -15.040 18.770 -6.065) 24.805 4.065 ( -10.025 -3.213 4.643) 11.506 5.367 ( -2.352 -5.208 2.441) 6.215 5.884 ( -5.892 -18.150 1.671) 19.155 6.208 ( -9.547 -0.341 -9.378) 13.387 6.939 ( 10.992 -1.237 2.285) 11.295 ======================= Grid point 664 (218/288) ======================= q-point: ( 0.64 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( 0.822 2.040 0.521) 2.261 1.128 ( 0.105 5.238 -3.236) 6.158 1.304 ( 3.683 3.496 -1.057) 5.186 1.603 ( 1.545 3.708 0.076) 4.018 2.055 ( -7.937 -2.821 -4.370) 9.489 2.907 ( 6.129 7.869 2.746) 10.345 3.808 ( -10.964 15.235 -6.945) 20.014 4.099 ( 4.912 10.727 -2.122) 11.988 5.097 ( -21.051 -9.196 -6.937) 23.997 5.643 ( 4.493 -13.169 6.591) 15.397 6.174 ( 1.196 2.294 0.223) 2.597 7.149 ( 11.905 -1.406 6.377) 13.578 ======================= Grid point 665 (219/288) ======================= q-point: ( 0.71 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( 1.359 0.034 -3.011) 3.303 1.172 ( 1.070 4.083 -2.420) 4.865 1.392 ( 2.953 3.542 -4.485) 6.433 1.646 ( -0.720 2.915 -0.581) 3.058 1.848 ( -10.164 -1.065 -5.159) 11.448 3.074 ( 4.273 3.615 3.663) 6.689 3.812 ( -2.854 13.065 -8.855) 16.039 4.163 ( -11.626 2.351 -13.339) 17.850 4.802 ( 3.794 7.448 -2.576) 8.747 5.742 ( 11.348 -7.034 12.556) 18.328 6.218 ( 0.690 0.554 3.569) 3.678 7.341 ( 8.482 -2.214 9.225) 12.726 ======================= Grid point 666 (220/288) ======================= q-point: (-0.21 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 3.243 -1.583 -4.424) 5.709 1.225 ( 1.636 2.367 -1.490) 3.240 1.446 ( 2.432 -0.239 -5.385) 5.913 1.603 ( -3.734 -1.224 -1.970) 4.396 1.724 ( -5.794 9.374 -4.109) 11.761 3.123 ( -1.526 -2.061 3.432) 4.284 3.788 ( -2.119 -2.478 -8.529) 9.131 4.039 ( -2.025 17.862 -8.807) 20.018 5.159 ( 17.936 13.050 -3.454) 22.448 5.904 ( 9.451 -7.049 9.776) 15.316 6.219 ( -2.178 -0.387 3.831) 4.424 7.441 ( 2.477 -3.461 8.669) 9.658 ======================= Grid point 674 (221/288) ======================= q-point: ( 0.36 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.573 ( 0.000 20.523 -1.574) 20.583 1.056 ( -0.000 3.902 5.289) 6.572 1.247 ( 0.000 4.002 -4.812) 6.259 1.274 ( 0.000 1.705 -1.617) 2.350 1.664 ( -0.000 14.918 15.735) 21.683 2.241 ( 0.000 -2.283 -2.933) 3.717 4.148 ( -0.000 8.187 10.372) 13.214 4.775 ( 0.000 35.479 -2.244) 35.550 5.755 ( 0.000 -19.767 -0.290) 19.769 6.021 ( 0.000 -7.737 -0.387) 7.746 6.805 ( -0.000 -6.393 30.539) 31.201 6.948 ( -0.000 -13.165 1.962) 13.310 ======================= Grid point 675 (222/288) ======================= q-point: ( 0.43 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( 1.574 18.161 -4.353) 18.742 1.045 ( -4.755 3.582 3.480) 6.895 1.217 ( -3.275 3.514 -1.714) 5.101 1.337 ( 2.692 3.446 -1.787) 4.724 1.941 ( 8.058 11.590 7.229) 15.860 2.233 ( 2.342 0.059 -0.464) 2.388 4.211 ( -1.954 7.090 4.109) 8.425 5.110 ( 1.876 21.922 -6.558) 22.959 5.360 ( -17.299 -17.664 1.472) 24.768 6.006 ( 3.074 -6.336 -1.888) 7.291 6.767 ( -0.109 -19.278 11.856) 22.632 6.828 ( -3.092 -3.951 7.871) 9.333 ======================= Grid point 676 (223/288) ======================= q-point: ( 0.50 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( 0.347 10.357 -7.229) 12.635 1.040 ( -2.707 6.618 4.946) 8.694 1.217 ( -0.561 2.558 0.949) 2.785 1.423 ( 2.902 4.391 -0.016) 5.263 2.126 ( 3.744 2.780 -0.785) 4.729 2.383 ( 8.279 9.307 2.588) 12.723 4.256 ( -2.981 6.165 1.966) 7.125 4.870 ( -25.052 -1.760 4.969) 25.600 5.243 ( 3.623 -1.220 -6.774) 7.778 5.956 ( -0.737 -6.510 -2.324) 6.952 6.558 ( -2.508 -22.502 3.004) 22.840 6.762 ( -3.732 1.746 -0.630) 4.168 ======================= Grid point 677 (224/288) ======================= q-point: ( 0.57 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( 2.793 8.223 1.214) 8.769 1.091 ( -0.722 7.601 0.444) 7.649 1.226 ( -0.326 -0.456 1.234) 1.355 1.523 ( 2.738 4.962 0.874) 5.734 2.180 ( 0.734 0.894 -0.632) 1.319 2.647 ( 8.693 10.890 -0.105) 13.934 4.194 ( -7.410 -0.253 0.716) 7.449 4.534 ( -24.997 19.959 4.880) 32.357 5.255 ( 6.209 -9.075 0.852) 11.029 5.829 ( -4.644 -12.110 1.890) 13.107 6.250 ( -5.820 -15.965 -11.510) 20.524 6.769 ( 3.871 0.743 -1.973) 4.408 ======================= Grid point 678 (225/288) ======================= q-point: ( 0.64 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( -2.894 4.944 4.838) 7.499 1.175 ( -0.826 4.457 -2.160) 5.021 1.262 ( 5.016 3.307 -0.152) 6.010 1.618 ( 1.962 4.870 0.800) 5.311 2.146 ( -5.013 0.215 -2.521) 5.615 2.886 ( 7.047 8.284 0.614) 10.893 4.101 ( -5.047 3.502 4.557) 7.649 4.394 ( -19.623 29.532 -2.420) 35.539 5.278 ( -1.031 -5.394 3.590) 6.560 5.472 ( -10.409 -21.549 2.115) 24.025 6.112 ( 4.584 -3.326 -11.472) 12.793 6.898 ( 12.353 -3.936 1.935) 13.109 ======================= Grid point 679 (226/288) ======================= q-point: ( 0.71 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( -3.710 4.322 2.181) 6.099 1.194 ( -0.076 3.090 -0.505) 3.132 1.370 ( 2.788 3.499 -2.519) 5.134 1.681 ( 0.014 2.667 -0.021) 2.667 2.015 ( -9.272 3.784 -4.739) 11.079 3.055 ( 4.516 3.628 2.686) 6.385 4.026 ( -10.107 2.875 -1.178) 10.573 4.446 ( -10.644 25.918 -4.540) 28.384 4.919 ( -13.592 -0.185 -6.178) 14.931 5.476 ( 12.959 -10.088 13.246) 21.099 6.158 ( 5.275 -2.314 -5.152) 7.728 7.109 ( 15.099 -6.121 5.482) 17.190 ======================= Grid point 680 (227/288) ======================= q-point: (-0.21 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( -4.412 3.719 0.436) 5.786 1.226 ( 0.545 2.274 -0.505) 2.393 1.413 ( 0.755 0.648 -3.223) 3.373 1.649 ( -3.385 -1.189 -1.839) 4.032 1.931 ( -7.110 11.946 -3.923) 14.445 3.125 ( 0.790 -1.385 3.147) 3.528 3.806 ( -7.925 -5.161 -9.699) 13.547 4.389 ( -15.480 22.022 -0.710) 26.928 5.031 ( 10.757 12.383 -0.954) 16.430 5.666 ( 12.520 -5.810 8.792) 16.365 6.189 ( 3.138 -3.835 -2.715) 5.650 7.298 ( 10.856 -6.753 5.393) 13.876 ======================= Grid point 689 (228/288) ======================= q-point: ( 0.43 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( 0.000 16.680 -5.004) 17.415 1.087 ( 0.000 0.206 -3.707) 3.713 1.285 ( 0.000 0.700 -3.314) 3.387 1.343 ( -0.000 5.501 0.810) 5.560 2.013 ( -0.000 9.017 4.148) 9.925 2.225 ( -0.000 5.144 3.439) 6.188 4.201 ( 0.000 -4.422 -7.223) 8.469 5.148 ( 0.000 -14.107 -5.701) 15.215 5.492 ( 0.000 14.180 -9.924) 17.307 5.943 ( -0.000 -0.369 4.336) 4.352 6.579 ( -0.000 -24.836 10.692) 27.040 6.852 ( -0.000 -1.144 6.825) 6.920 ======================= Grid point 690 (229/288) ======================= q-point: ( 0.50 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( -3.148 5.216 -7.848) 9.935 1.114 ( 1.219 6.363 -2.405) 6.911 1.267 ( -1.150 0.625 -0.295) 1.342 1.422 ( 2.397 5.017 0.451) 5.578 2.082 ( 2.903 -0.198 0.421) 2.940 2.394 ( 4.476 14.408 4.339) 15.699 4.175 ( 7.743 -7.373 -7.684) 13.167 4.896 ( -1.046 -21.550 -10.267) 23.894 5.499 ( -13.323 15.432 -4.868) 20.961 5.945 ( -3.080 -0.004 1.191) 3.302 6.335 ( -0.778 -27.944 7.277) 28.887 6.863 ( -2.854 5.597 -0.245) 6.288 ======================= Grid point 691 (230/288) ======================= q-point: ( 0.57 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( 3.556 5.088 -2.375) 6.647 1.174 ( -0.250 5.169 -1.450) 5.375 1.250 ( -1.487 -0.313 0.634) 1.646 1.526 ( 3.166 5.128 0.636) 6.060 2.140 ( 4.068 -1.584 1.751) 4.704 2.640 ( 5.622 13.919 0.242) 15.013 4.223 ( 3.070 -4.390 -1.927) 5.693 4.753 ( 11.505 -12.623 -6.178) 18.162 5.337 ( -18.606 11.755 -1.408) 22.053 5.841 ( -6.462 -2.901 0.575) 7.106 6.037 ( -1.712 -27.763 -1.523) 27.857 6.844 ( -6.272 8.106 -5.934) 11.843 ======================= Grid point 692 (231/288) ======================= q-point: ( 0.64 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( 3.613 4.291 3.098) 6.408 1.204 ( 0.685 -0.549 0.296) 0.926 1.232 ( -0.107 5.775 -1.955) 6.097 1.631 ( 2.578 4.651 0.763) 5.373 2.184 ( 1.428 -0.693 0.700) 1.734 2.855 ( 5.157 9.304 -0.647) 10.657 4.197 ( -1.466 1.342 0.822) 2.151 4.951 ( 11.572 1.916 5.530) 12.968 5.122 ( -15.152 7.266 1.166) 16.845 5.594 ( -15.213 -12.429 2.519) 19.805 5.836 ( 8.952 -12.635 -13.972) 20.857 6.792 ( -3.017 3.439 -4.722) 6.575 ======================= Grid point 693 (232/288) ======================= q-point: ( 0.71 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( -1.010 1.455 0.134) 1.777 1.243 ( -0.713 3.845 1.779) 4.296 1.343 ( 3.498 3.711 -0.920) 5.182 1.697 ( 0.579 1.575 0.261) 1.699 2.187 ( -3.540 6.223 -1.334) 7.283 2.994 ( 4.556 1.539 0.319) 4.819 4.165 ( -5.821 -3.472 1.686) 6.985 4.950 ( -14.919 20.055 -3.355) 25.220 5.162 ( 0.465 -8.798 8.350) 12.139 5.253 ( -7.061 5.875 5.119) 10.515 5.921 ( 14.056 -7.045 -13.269) 20.574 6.823 ( 8.311 -3.931 1.183) 9.270 ======================= Grid point 694 (233/288) ======================= q-point: ( 0.79 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( -1.532 3.186 0.220) 3.542 1.266 ( -1.963 3.659 2.109) 4.657 1.397 ( 0.818 0.390 -2.017) 2.211 1.679 ( -1.991 -1.386 -1.032) 2.636 2.191 ( -7.445 14.660 -1.639) 16.523 3.055 ( 4.387 -5.199 1.445) 6.955 3.889 ( -12.506 -9.777 -7.423) 17.524 4.953 ( -19.518 17.898 12.204) 29.159 5.009 ( 2.043 5.154 -1.327) 5.701 5.467 ( 10.713 7.274 4.519) 13.714 6.018 ( 8.464 -5.922 -10.594) 14.797 6.991 ( 15.040 -7.738 3.041) 17.185 ======================= Grid point 704 (234/288) ======================= q-point: ( 0.50 0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( 0.000 -0.248 -4.631) 4.638 1.127 ( 0.000 4.766 -9.687) 10.796 1.270 ( 0.000 0.590 -1.044) 1.199 1.451 ( -0.000 4.378 1.124) 4.520 2.036 ( -0.000 -3.835 3.030) 4.887 2.538 ( -0.000 17.555 2.901) 17.793 3.930 ( 0.000 -13.081 -13.497) 18.796 4.632 ( 0.000 -21.982 -14.508) 26.338 5.676 ( 0.000 2.006 -9.378) 9.590 6.041 ( -0.000 6.037 3.597) 7.027 6.086 ( -0.000 -26.336 7.015) 27.254 6.978 ( 0.000 11.945 -1.171) 12.002 ======================= Grid point 705 (235/288) ======================= q-point: ( 0.57 0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( 0.444 1.797 -2.497) 3.108 1.161 ( 3.390 -0.232 -6.838) 7.636 1.273 ( -0.826 1.442 -0.556) 1.753 1.521 ( 2.705 4.177 0.644) 5.018 2.036 ( 3.804 -5.676 5.126) 8.542 2.731 ( 1.827 15.736 -0.497) 15.850 3.934 ( 18.039 -8.997 -7.421) 21.481 4.396 ( 2.474 -17.509 -14.166) 22.657 5.538 ( -3.596 -15.003 -4.932) 16.197 5.865 ( -4.749 -12.257 -0.804) 13.170 6.031 ( -9.020 6.646 3.385) 11.704 7.054 ( -6.090 13.609 -4.861) 15.682 ======================= Grid point 706 (236/288) ======================= q-point: ( 0.64 0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( 6.011 3.184 2.814) 7.362 1.184 ( 2.233 -1.566 -3.235) 4.231 1.278 ( -0.285 3.430 -1.292) 3.676 1.623 ( 3.496 3.886 0.371) 5.240 2.078 ( 6.172 -6.261 3.915) 9.624 2.906 ( 1.915 11.910 -1.173) 12.120 4.172 ( 4.523 -0.433 -0.924) 4.637 4.418 ( 29.939 -12.777 -4.203) 32.821 5.307 ( 1.866 -20.293 -2.522) 20.534 5.622 ( -13.454 -1.827 -10.616) 17.235 5.922 ( -12.597 7.457 7.022) 16.236 6.996 ( -11.812 10.916 -7.372) 17.692 ======================= Grid point 707 (237/288) ======================= q-point: ( 0.71 0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( 1.098 -0.231 -0.418) 1.198 1.253 ( 3.700 2.067 -0.107) 4.239 1.335 ( 1.854 4.029 0.721) 4.493 1.696 ( 1.138 0.910 0.510) 1.544 2.174 ( 8.571 -0.373 1.248) 8.669 2.999 ( -1.514 5.203 -0.697) 5.463 4.154 ( 0.032 -10.442 4.020) 11.189 4.881 ( 20.423 -0.677 7.909) 21.911 5.278 ( 11.905 -14.085 -11.535) 21.753 5.330 ( -7.904 8.154 -10.886) 15.731 5.803 ( -13.008 8.006 9.790) 18.142 6.855 ( -10.411 6.489 -5.173) 13.314 ======================= Grid point 708 (238/288) ======================= q-point: ( 0.79 0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( 0.878 1.521 0.000) 1.756 1.320 ( 1.545 2.675 0.000) 3.089 1.384 ( 0.219 0.380 -0.000) 0.439 1.686 ( -0.998 -1.729 -0.000) 1.996 2.370 ( 6.194 10.728 -0.000) 12.388 2.955 ( -2.772 -4.802 -0.000) 5.545 3.947 ( -8.670 -15.017 -0.000) 17.340 5.013 ( -1.786 -3.094 0.000) 3.573 5.236 ( 3.917 6.784 0.000) 7.833 5.643 ( 8.519 14.756 0.000) 17.039 5.710 ( -0.552 -0.957 -0.000) 1.105 6.785 ( 0.411 0.713 0.000) 0.823 ======================= Grid point 720 (239/288) ======================= q-point: ( 0.57 0.57 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( 0.000 -0.177 -2.165) 2.172 1.068 ( 0.000 -2.057 -7.050) 7.344 1.292 ( 0.000 1.154 -0.947) 1.493 1.534 ( -0.000 3.223 0.881) 3.341 1.955 ( -0.000 -7.797 8.324) 11.406 2.861 ( 0.000 13.406 -3.536) 13.864 3.603 ( 0.000 -9.955 -7.572) 12.508 4.200 ( 0.000 -10.471 -10.664) 14.945 5.304 ( 0.000 -27.855 -1.814) 27.914 5.864 ( 0.000 0.558 -4.911) 4.943 6.186 ( 0.000 6.495 -0.515) 6.516 7.247 ( 0.000 14.626 -5.176) 15.515 ======================= Grid point 721 (240/288) ======================= q-point: ( 0.64 0.57 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( 4.608 2.113 2.162) 5.511 1.078 ( 4.341 -2.594 -4.325) 6.654 1.301 ( 0.218 1.644 -0.459) 1.721 1.597 ( 3.147 2.866 0.580) 4.296 1.926 ( 3.376 -9.163 7.972) 12.606 2.983 ( 1.760 10.518 -4.051) 11.408 3.758 ( 26.396 -4.995 -2.146) 26.950 4.106 ( 0.901 -5.323 -1.273) 5.547 5.034 ( 0.738 -22.825 -2.944) 23.026 5.800 ( -7.898 3.691 -8.093) 11.895 6.182 ( -6.541 5.874 0.164) 8.793 7.287 ( -8.572 12.171 -6.984) 16.443 ======================= Grid point 722 (241/288) ======================= q-point: ( 0.71 0.57 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( 4.923 -1.744 -2.766) 5.910 1.187 ( 4.584 1.816 0.909) 5.014 1.346 ( 1.738 3.015 2.132) 4.081 1.677 ( 2.231 0.625 0.842) 2.465 1.968 ( 9.678 -6.177 4.618) 12.376 3.083 ( -0.189 6.389 -2.658) 6.922 4.003 ( 4.553 -13.689 3.996) 14.969 4.396 ( 34.571 3.724 4.839) 35.106 4.905 ( 5.521 -9.084 -3.351) 11.146 5.606 ( -14.601 5.531 -12.800) 20.189 6.107 ( -8.919 5.186 5.208) 11.557 7.169 ( -14.255 10.135 -6.456) 18.644 ======================= Grid point 736 (242/288) ======================= q-point: ( 0.64 0.64 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( -0.000 0.710 2.164) 2.278 1.029 ( -0.000 0.838 1.504) 1.722 1.311 ( -0.000 1.383 0.757) 1.576 1.591 ( -0.000 1.727 0.909) 1.952 1.831 ( -0.000 -9.900 8.752) 13.214 3.043 ( 0.000 8.670 -5.209) 10.115 3.495 ( -0.000 1.053 4.083) 4.217 4.048 ( -0.000 -7.328 6.904) 10.068 4.834 ( 0.000 -10.403 -6.933) 12.501 5.900 ( 0.000 5.931 -6.412) 8.734 6.273 ( 0.000 3.307 -4.375) 5.484 7.448 ( 0.000 9.137 -8.247) 12.309 ======================= Grid point 738 (243/288) ======================= q-point: (-0.29 -0.36 -0.79) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( 1.456 -0.695 0.661) 1.744 1.143 ( 4.630 3.304 3.468) 6.662 1.351 ( 1.726 2.698 3.520) 4.759 1.638 ( 2.836 0.374 0.947) 3.013 1.789 ( 4.336 -8.486 6.567) 11.573 3.113 ( 0.893 5.139 -4.097) 6.633 3.742 ( 16.188 2.158 5.225) 17.146 4.024 ( 8.240 -10.269 14.276) 19.420 4.817 ( 2.828 7.401 -5.238) 9.498 5.851 ( -10.066 6.309 -9.352) 15.119 6.250 ( -3.254 1.607 -2.695) 4.520 7.428 ( -7.431 6.533 -8.272) 12.897 ======================= Grid point 753 (244/288) ======================= q-point: (-0.29 -0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( -0.000 1.967 3.551) 4.059 1.132 ( -0.000 5.654 6.159) 8.361 1.380 ( -0.000 4.058 6.279) 7.476 1.610 ( -0.000 -0.538 0.722) 0.901 1.680 ( -0.000 -9.112 4.880) 10.336 3.144 ( 0.000 2.865 -3.567) 4.576 3.688 ( -0.000 11.453 12.504) 16.956 3.884 ( -0.000 -12.572 11.555) 17.075 4.913 ( 0.000 18.535 -1.750) 18.618 5.989 ( 0.000 6.647 -7.753) 10.212 6.252 ( 0.000 -1.748 -7.213) 7.422 7.503 ( 0.000 2.345 -9.879) 10.153 ======================= Grid point 860 (245/288) ======================= q-point: ( 0.29 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.682 ( -0.000 0.000 13.644) 13.644 0.682 ( -0.000 0.000 13.644) 13.644 1.103 ( -0.000 0.000 27.974) 27.974 1.225 ( 0.000 -0.000 -4.712) 4.712 1.225 ( 0.000 -0.000 -4.712) 4.712 2.348 ( 0.000 -0.000 -6.240) 6.240 3.718 ( -0.000 0.000 29.458) 29.458 3.718 ( -0.000 0.000 29.458) 29.458 6.297 ( 0.000 -0.000 -3.061) 3.061 6.297 ( 0.000 -0.000 -3.061) 3.061 6.660 ( -0.000 0.000 59.744) 59.744 7.217 ( -0.000 0.000 1.378) 1.378 ======================= Grid point 861 (246/288) ======================= q-point: ( 0.36 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.561 ( -3.945 -2.277 16.297) 16.922 0.716 ( -4.815 -2.780 18.146) 18.978 1.178 ( -0.867 -0.501 -6.590) 6.666 1.253 ( 2.326 1.343 -3.225) 4.198 1.453 ( 16.872 9.741 15.975) 25.195 2.298 ( -1.475 -0.852 -5.413) 5.675 3.745 ( -1.142 -0.659 26.044) 26.077 4.233 ( 26.686 15.407 11.864) 33.019 5.998 ( -20.134 -11.625 6.519) 24.146 6.293 ( -1.832 -1.058 -3.482) 4.074 6.883 ( 0.774 0.447 41.611) 41.621 7.167 ( -4.211 -2.431 1.974) 5.248 ======================= Grid point 862 (247/288) ======================= q-point: ( 0.43 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.623 ( 4.295 2.479 13.360) 14.251 0.697 ( -1.590 -0.918 16.950) 17.049 1.145 ( 0.843 0.487 -9.313) 9.364 1.307 ( 2.960 1.709 -1.760) 3.845 1.864 ( 14.140 8.164 5.910) 17.365 2.269 ( 0.422 0.244 -1.799) 1.864 3.805 ( -0.550 -0.317 17.888) 17.899 4.824 ( 18.814 10.862 -2.293) 21.846 5.496 ( -22.629 -13.065 10.531) 28.172 6.204 ( -4.201 -2.425 -3.599) 6.040 6.884 ( -8.260 -4.769 16.933) 19.435 7.072 ( -5.524 -3.190 7.541) 9.877 ======================= Grid point 863 (248/288) ======================= q-point: ( 0.50 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( 1.352 0.780 9.360) 9.489 0.791 ( 6.127 3.537 7.304) 10.168 1.177 ( 3.589 2.072 -4.560) 6.162 1.379 ( 3.520 2.032 -0.472) 4.092 2.108 ( 5.764 3.328 -2.904) 7.262 2.344 ( 6.640 3.833 2.903) 8.198 3.812 ( -2.907 -1.679 7.785) 8.478 4.743 ( -23.492 -13.563 11.003) 29.273 5.360 ( 7.127 4.115 -3.315) 8.872 6.104 ( -2.887 -1.667 -2.063) 3.921 6.690 ( -11.929 -6.887 5.238) 14.736 6.930 ( -6.046 -3.491 2.213) 7.324 ======================= Grid point 864 (249/288) ======================= q-point: ( 0.57 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( 5.754 3.322 5.113) 8.384 0.931 ( 4.338 2.505 2.384) 5.548 1.240 ( 1.715 0.990 0.174) 1.988 1.465 ( 3.764 2.173 0.072) 4.347 2.161 ( 0.602 0.347 -4.041) 4.100 2.555 ( 9.610 5.548 2.045) 11.284 3.722 ( -5.154 -2.976 -1.443) 6.124 4.240 ( -19.009 -10.975 9.411) 23.882 5.444 ( -0.651 -0.376 3.010) 3.103 6.077 ( 0.793 0.458 1.129) 1.454 6.294 ( -20.888 -12.060 -6.479) 24.975 6.932 ( 5.458 3.151 2.134) 6.654 ======================= Grid point 865 (250/288) ======================= q-point: ( 0.64 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( 4.706 2.717 0.139) 5.435 1.011 ( 2.475 1.429 -0.825) 2.974 1.268 ( 1.427 0.824 1.025) 1.941 1.547 ( 3.048 1.760 -0.282) 3.531 2.100 ( -4.896 -2.827 -5.582) 7.945 2.781 ( 8.825 5.095 3.623) 10.815 3.600 ( -3.076 -1.776 -7.468) 8.270 4.021 ( -1.117 -0.645 5.201) 5.358 5.292 ( -16.575 -9.569 1.237) 19.179 5.842 ( -10.017 -5.784 -4.337) 12.354 6.137 ( 3.032 1.751 4.283) 5.532 7.134 ( 9.367 5.408 5.870) 12.306 ======================= Grid point 866 (251/288) ======================= q-point: ( 0.71 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( 1.603 0.925 -2.794) 3.351 1.061 ( 2.902 1.676 -4.306) 5.457 1.323 ( 2.844 1.642 -1.815) 3.753 1.600 ( 1.535 0.886 -0.724) 1.914 1.907 ( -9.076 -5.240 -6.310) 12.233 2.995 ( 8.078 4.664 4.294) 10.268 3.568 ( 3.307 1.909 -10.521) 11.193 4.111 ( 2.085 1.204 -5.799) 6.279 4.811 ( -14.035 -8.103 -2.377) 16.380 5.828 ( 4.365 2.520 7.910) 9.379 6.220 ( 2.027 1.170 6.321) 6.740 7.360 ( 7.113 4.107 9.406) 12.487 ======================= Grid point 875 (252/288) ======================= q-point: ( 0.36 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.481 ( -0.000 -11.282 18.312) 21.508 0.960 ( -0.000 8.248 9.587) 12.647 1.174 ( 0.000 0.600 -7.772) 7.795 1.229 ( 0.000 1.876 -3.678) 4.129 1.446 ( -0.000 12.303 21.147) 24.466 2.268 ( 0.000 -1.789 -8.087) 8.283 4.031 ( -0.000 7.567 19.354) 20.780 4.127 ( -0.000 25.470 15.160) 29.640 6.135 ( -0.000 -14.890 0.719) 14.908 6.176 ( 0.000 -7.013 -1.658) 7.206 7.010 ( -0.000 -2.696 39.617) 39.708 7.164 ( -0.000 -6.467 3.695) 7.448 ======================= Grid point 876 (253/288) ======================= q-point: ( 0.43 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.541 ( 5.469 1.664 12.973) 14.176 0.962 ( -8.648 7.247 10.728) 15.570 1.132 ( -1.994 2.293 -8.526) 9.051 1.270 ( 2.838 2.363 -3.149) 4.853 1.752 ( 10.951 10.198 11.902) 19.121 2.237 ( 1.166 -0.738 -5.708) 5.872 4.038 ( -8.731 11.017 15.373) 20.831 4.639 ( 16.625 20.307 1.111) 26.268 5.749 ( -18.633 -17.220 5.853) 26.038 6.157 ( 2.088 -8.210 -3.496) 9.165 6.999 ( -5.465 -7.859 11.282) 14.796 7.104 ( -1.742 -9.307 17.710) 20.083 ======================= Grid point 877 (254/288) ======================= q-point: ( 0.50 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( 4.448 5.732 4.227) 8.397 0.931 ( -5.668 6.976 8.458) 12.342 1.137 ( 1.497 4.363 -3.890) 6.034 1.345 ( 3.257 3.086 -1.258) 4.660 2.028 ( 7.506 5.909 0.978) 9.603 2.282 ( 4.924 2.508 -0.038) 5.526 4.043 ( -9.611 11.979 10.147) 18.407 4.960 ( -3.777 0.885 2.786) 4.776 5.305 ( -7.303 -9.084 2.158) 11.854 6.079 ( -0.212 -6.528 -3.967) 7.642 6.825 ( -7.898 -6.218 4.405) 10.975 6.957 ( -6.138 -14.314 8.033) 17.524 ======================= Grid point 878 (255/288) ======================= q-point: ( 0.57 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( 4.106 7.196 0.691) 8.314 0.972 ( -1.766 6.754 7.662) 10.365 1.213 ( 2.437 2.285 0.343) 3.358 1.435 ( 3.238 3.720 -0.005) 4.931 2.139 ( 1.975 2.272 -2.829) 4.131 2.463 ( 8.924 7.076 0.662) 11.408 3.989 ( -14.125 13.851 3.728) 20.131 4.540 ( -24.452 -12.138 10.988) 29.427 5.375 ( 7.739 -2.181 0.383) 8.050 6.015 ( 1.607 -6.094 -1.781) 6.549 6.516 ( -18.724 -12.132 -3.209) 22.541 6.828 ( 4.754 -5.783 1.525) 7.640 ======================= Grid point 879 (256/288) ======================= q-point: ( 0.64 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( 2.532 8.325 2.163) 8.966 1.026 ( -0.788 4.774 3.079) 5.735 1.252 ( 1.370 -0.255 1.249) 1.871 1.527 ( 2.614 3.968 0.105) 4.753 2.136 ( -2.924 0.064 -4.391) 5.276 2.709 ( 9.057 8.507 1.573) 12.525 3.874 ( -17.177 18.171 -1.602) 25.056 4.134 ( -12.805 -4.937 9.510) 16.697 5.414 ( -2.498 -5.756 6.373) 8.943 5.888 ( -10.886 -17.880 -0.952) 20.955 6.126 ( -2.167 -1.415 -6.982) 7.446 6.968 ( 12.749 -1.288 3.554) 13.297 ======================= Grid point 880 (257/288) ======================= q-point: ( 0.71 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( -2.318 2.557 2.926) 4.525 1.095 ( -0.028 5.845 -3.212) 6.670 1.299 ( 2.370 2.051 -0.084) 3.135 1.602 ( 1.189 3.957 -0.319) 4.144 2.000 ( -8.553 -2.453 -6.663) 11.116 2.942 ( 6.993 7.442 4.008) 10.971 3.761 ( -15.160 19.237 -2.620) 24.632 4.092 ( 1.935 5.048 0.765) 5.460 5.041 ( -23.004 -11.585 -3.874) 26.046 5.718 ( 6.832 -8.032 8.269) 13.400 6.179 ( 5.297 -0.515 0.630) 5.360 7.216 ( 13.830 -1.585 7.149) 15.649 ======================= Grid point 890 (258/288) ======================= q-point: ( 0.43 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.604 ( -0.000 12.307 7.448) 14.385 1.069 ( 0.000 0.225 -3.426) 3.434 1.219 ( -0.000 6.897 -0.036) 6.897 1.239 ( 0.000 1.989 -5.415) 5.769 1.813 ( -0.000 11.704 13.892) 18.165 2.198 ( 0.000 -0.062 -5.090) 5.091 4.212 ( -0.000 1.817 2.509) 3.098 4.778 ( -0.000 30.505 1.989) 30.570 5.738 ( 0.000 -23.068 -2.920) 23.252 6.031 ( -0.000 -6.279 2.425) 6.731 6.964 ( -0.000 -11.470 2.128) 11.666 7.080 ( -0.000 -13.528 22.844) 26.549 ======================= Grid point 891 (259/288) ======================= q-point: ( 0.50 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( 0.539 12.483 0.302) 12.499 1.033 ( -1.410 1.994 -5.153) 5.702 1.217 ( -2.522 4.348 0.644) 5.067 1.318 ( 3.054 4.795 -1.716) 5.938 2.000 ( 4.290 7.632 4.491) 9.840 2.233 ( 3.547 3.697 0.684) 5.168 4.229 ( 1.675 1.088 -0.568) 2.077 5.061 ( 0.543 20.048 -3.857) 20.422 5.365 ( -12.882 -21.354 -0.582) 24.945 5.995 ( 0.220 -5.047 -0.095) 5.053 6.821 ( -1.854 -13.736 2.873) 14.155 6.949 ( -5.575 -14.313 11.656) 19.283 ======================= Grid point 892 (260/288) ======================= q-point: ( 0.57 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( 1.740 8.766 -4.731) 10.112 1.069 ( 0.530 5.089 1.187) 5.252 1.235 ( -0.758 2.961 2.188) 3.759 1.422 ( 3.312 5.066 -0.188) 6.056 2.120 ( 2.984 3.243 -0.420) 4.427 2.402 ( 7.017 9.112 1.257) 11.569 4.273 ( -1.408 3.091 1.334) 3.649 4.922 ( -20.287 -6.529 4.908) 21.869 5.181 ( 4.980 0.146 -5.329) 7.295 5.927 ( -0.973 -5.600 -2.780) 6.327 6.596 ( -7.295 -24.643 3.983) 26.007 6.754 ( -4.498 -0.855 -1.093) 4.707 ======================= Grid point 893 (261/288) ======================= q-point: ( 0.64 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( 5.240 10.153 -1.786) 11.564 1.124 ( -0.703 4.341 3.894) 5.873 1.239 ( -0.647 -0.742 1.358) 1.678 1.529 ( 2.803 5.233 0.386) 5.949 2.171 ( -0.410 1.936 -1.217) 2.323 2.645 ( 8.745 10.500 -0.278) 13.667 4.201 ( -7.050 0.418 0.711) 7.099 4.597 ( -25.184 16.001 7.691) 30.813 5.275 ( 11.075 -8.448 3.082) 14.266 5.842 ( -1.287 -9.754 0.575) 9.855 6.143 ( -13.074 -19.479 -9.744) 25.403 6.766 ( 6.306 -1.489 1.295) 6.607 ======================= Grid point 894 (262/288) ======================= q-point: ( 0.71 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( -2.241 4.687 2.569) 5.796 1.151 ( -1.167 4.870 -1.143) 5.136 1.267 ( 3.872 1.963 0.956) 4.446 1.624 ( 1.753 5.005 0.230) 5.308 2.115 ( -6.781 1.070 -3.530) 7.720 2.895 ( 8.304 7.890 1.044) 11.502 4.147 ( -2.550 2.823 4.028) 5.541 4.387 ( -24.557 27.938 1.327) 37.220 5.295 ( -13.491 -7.612 0.625) 15.503 5.526 ( -0.222 -17.857 8.244) 19.669 6.006 ( 9.671 -5.289 -9.726) 14.701 6.933 ( 14.467 -4.818 5.136) 16.090 ======================= Grid point 906 (263/288) ======================= q-point: ( 0.50 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( 0.000 13.076 -2.918) 13.397 1.033 ( 0.000 0.445 -6.892) 6.906 1.237 ( 0.000 1.910 -6.179) 6.467 1.355 ( -0.000 5.548 1.303) 5.699 2.040 ( -0.000 4.060 1.772) 4.429 2.273 ( -0.000 9.173 5.603) 10.749 4.114 ( 0.000 -8.394 -10.122) 13.150 5.075 ( 0.000 -19.622 -8.957) 21.570 5.411 ( 0.000 13.407 -6.528) 14.912 5.990 ( -0.000 -0.048 4.940) 4.940 6.665 ( -0.000 -22.755 6.764) 23.739 6.916 ( -0.000 -7.031 5.388) 8.858 ======================= Grid point 907 (264/288) ======================= q-point: ( 0.57 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( -2.584 6.205 -7.286) 9.913 1.085 ( 3.098 4.587 -3.644) 6.627 1.253 ( 0.855 1.183 -2.411) 2.819 1.428 ( 1.989 5.251 0.646) 5.652 2.092 ( 2.658 1.000 1.580) 3.250 2.433 ( 2.962 12.881 3.340) 13.633 4.101 ( 12.350 -8.810 -7.132) 16.763 4.782 ( 0.330 -24.838 -12.425) 27.774 5.447 ( -10.029 13.194 -5.519) 17.468 5.963 ( -5.584 0.690 2.507) 6.160 6.411 ( -2.038 -28.580 7.405) 29.594 6.857 ( -4.960 2.776 -0.965) 5.765 ======================= Grid point 908 (265/288) ======================= q-point: ( 0.64 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( 5.345 8.142 -0.592) 9.758 1.155 ( 1.686 3.380 -2.502) 4.531 1.250 ( -0.879 -1.049 -0.613) 1.499 1.530 ( 3.228 5.145 0.153) 6.076 2.157 ( 3.179 -0.325 1.622) 3.584 2.642 ( 4.922 13.181 0.267) 14.072 4.209 ( 4.107 -5.223 -0.978) 6.716 4.679 ( 19.728 -13.935 -8.398) 25.571 5.310 ( -15.847 9.596 -3.597) 18.872 5.844 ( -6.773 -1.825 0.038) 7.015 6.063 ( -7.437 -28.292 6.041) 29.871 6.793 ( -6.173 6.222 -4.091) 9.673 ======================= Grid point 909 (266/288) ======================= q-point: ( 0.71 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( 0.380 0.659 -0.000) 0.760 1.207 ( 4.666 8.081 -0.000) 9.332 1.216 ( 0.184 0.319 0.000) 0.369 1.635 ( 2.675 4.633 -0.000) 5.350 2.187 ( 0.011 0.018 -0.000) 0.021 2.852 ( 5.315 9.206 -0.000) 10.630 4.201 ( 0.644 1.116 -0.000) 1.289 4.983 ( 5.410 9.370 -0.000) 10.820 5.123 ( -1.553 -2.690 -0.000) 3.106 5.628 ( -12.033 -20.842 -0.000) 24.066 5.746 ( -1.383 -2.396 -0.000) 2.767 6.768 ( 0.646 1.118 0.000) 1.291 ======================= Grid point 922 (267/288) ======================= q-point: ( 0.57 0.57 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( 0.000 0.947 -4.798) 4.890 1.023 ( 0.000 3.804 -10.911) 11.555 1.258 ( 0.000 2.198 -1.292) 2.549 1.460 ( -0.000 4.339 0.693) 4.394 2.073 ( -0.000 -1.569 4.272) 4.551 2.560 ( -0.000 14.620 1.501) 14.696 3.812 ( 0.000 -12.574 -9.956) 16.039 4.485 ( 0.000 -23.161 -14.759) 27.464 5.583 ( 0.000 2.801 -9.275) 9.689 6.069 ( -0.000 4.600 2.036) 5.030 6.158 ( -0.000 -28.737 7.322) 29.655 6.966 ( 0.000 9.638 -1.287) 9.724 ======================= Grid point 923 (268/288) ======================= q-point: ( 0.64 0.57 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 2.711 4.608 -0.705) 5.392 1.090 ( 5.098 0.046 -7.368) 8.959 1.264 ( -0.885 1.198 -1.173) 1.896 1.526 ( 2.435 4.181 0.312) 4.849 2.088 ( 2.710 -3.821 5.194) 6.994 2.723 ( 2.108 13.727 -1.193) 13.939 3.881 ( 22.079 -7.743 -3.097) 23.601 4.252 ( 2.561 -15.633 -13.920) 21.088 5.481 ( -3.918 -8.658 -6.591) 11.565 5.872 ( -6.588 -19.095 1.738) 20.274 6.070 ( -5.662 3.698 4.572) 8.163 7.008 ( -7.249 12.039 -4.397) 14.725 ======================= Grid point 939 (269/288) ======================= q-point: (-0.36 -0.36 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( 0.000 1.295 -0.773) 1.508 1.012 ( 0.000 1.560 -4.112) 4.398 1.280 ( 0.000 1.270 -1.306) 1.822 1.542 ( -0.000 3.327 0.644) 3.389 2.035 ( -0.000 -6.372 7.565) 9.891 2.821 ( 0.000 11.408 -4.249) 12.174 3.564 ( 0.000 -6.881 -0.229) 6.885 4.095 ( 0.000 -5.057 -9.682) 10.923 5.299 ( 0.000 -26.008 -0.091) 26.009 5.829 ( 0.000 -3.987 -1.545) 4.276 6.171 ( 0.000 5.044 -2.553) 5.653 7.192 ( 0.000 12.881 -5.801) 14.127 ======================= Grid point 1078 (270/288) ======================= q-point: ( 0.36 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( -0.000 0.000 11.958) 11.958 0.809 ( -0.000 0.000 11.958) 11.958 1.172 ( 0.000 -0.000 -6.096) 6.096 1.172 ( 0.000 -0.000 -6.096) 6.096 1.370 ( -0.000 0.000 25.941) 25.941 2.248 ( 0.000 -0.000 -13.506) 13.506 3.979 ( -0.000 0.000 22.576) 22.576 3.979 ( -0.000 0.000 22.576) 22.576 6.268 ( 0.000 -0.000 -2.735) 2.735 6.268 ( 0.000 -0.000 -2.735) 2.735 7.174 ( -0.000 0.000 38.576) 38.576 7.242 ( -0.000 0.000 8.026) 8.026 ======================= Grid point 1079 (271/288) ======================= q-point: ( 0.43 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( -3.245 -1.873 14.913) 15.376 0.879 ( -2.663 -1.538 14.782) 15.099 1.091 ( -2.266 -1.308 -10.606) 10.924 1.218 ( 3.186 1.840 -4.004) 5.438 1.618 ( 11.770 6.795 16.879) 21.670 2.210 ( 0.936 0.541 -11.846) 11.895 3.979 ( -2.521 -1.455 20.729) 20.932 4.342 ( 19.304 11.145 9.067) 24.064 6.040 ( -16.250 -9.382 3.052) 19.011 6.255 ( -2.111 -1.219 -4.042) 4.720 7.155 ( -6.420 -3.707 5.207) 9.059 7.287 ( -3.553 -2.052 28.307) 28.603 ======================= Grid point 1080 (272/288) ======================= q-point: ( 0.50 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( 2.263 1.306 13.520) 13.770 0.850 ( -3.663 -2.115 11.687) 12.429 1.046 ( 2.681 1.548 -8.560) 9.103 1.289 ( 3.688 2.129 -2.068) 4.734 1.917 ( 9.667 5.582 4.890) 12.187 2.232 ( 3.628 2.094 -5.402) 6.836 3.975 ( -3.521 -2.033 15.987) 16.496 4.817 ( 17.862 10.313 0.147) 20.626 5.585 ( -22.697 -13.104 7.705) 27.318 6.163 ( -3.895 -2.249 -4.694) 6.500 6.971 ( -9.695 -5.597 3.132) 11.625 7.194 ( -10.418 -6.015 13.494) 18.078 ======================= Grid point 1081 (273/288) ======================= q-point: ( 0.57 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( 0.339 0.196 7.990) 8.000 0.871 ( 3.596 2.076 8.582) 9.534 1.147 ( 5.641 3.257 -0.566) 6.538 1.374 ( 3.965 2.289 -0.617) 4.620 2.080 ( 4.243 2.450 -2.671) 5.580 2.352 ( 7.566 4.368 -1.146) 8.811 3.902 ( -6.694 -3.865 10.175) 12.777 4.859 ( -22.004 -12.704 12.110) 28.147 5.343 ( 7.350 4.244 0.095) 8.488 6.077 ( -1.635 -0.944 -3.418) 3.905 6.723 ( -14.769 -8.527 1.136) 17.091 6.950 ( -8.362 -4.828 1.501) 9.772 ======================= Grid point 1082 (274/288) ======================= q-point: ( 0.64 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( 3.891 2.247 9.565) 10.568 0.963 ( 2.416 1.395 3.996) 4.874 1.246 ( 2.272 1.312 1.006) 2.809 1.465 ( 3.767 2.175 -0.249) 4.356 2.117 ( -0.033 -0.019 -4.615) 4.615 2.567 ( 10.634 6.139 0.237) 12.281 3.739 ( -8.763 -5.059 4.665) 11.142 4.349 ( -20.362 -11.756 12.465) 26.612 5.498 ( 1.543 0.891 7.470) 7.680 6.081 ( 2.452 1.416 -0.408) 2.861 6.228 ( -24.012 -13.864 -6.873) 28.566 6.951 ( 6.718 3.879 1.717) 7.945 ======================= Grid point 1094 (275/288) ======================= q-point: ( 0.43 0.43 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.659 ( -0.000 -10.536 17.514) 20.438 1.044 ( -0.000 5.450 6.851) 8.754 1.089 ( 0.000 1.378 -8.802) 8.909 1.180 ( 0.000 2.030 -6.096) 6.425 1.650 ( -0.000 9.302 19.516) 21.619 2.160 ( 0.000 1.000 -13.018) 13.056 4.176 ( -0.000 3.236 9.489) 10.026 4.272 ( -0.000 18.958 13.189) 23.095 6.124 ( 0.000 -13.979 -2.264) 14.161 6.169 ( -0.000 -5.927 0.426) 5.943 7.166 ( -0.000 -7.254 2.241) 7.592 7.371 ( -0.000 -6.871 26.298) 27.181 ======================= Grid point 1095 (276/288) ======================= q-point: ( 0.50 0.43 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( 3.958 -3.279 15.553) 16.381 0.982 ( -4.106 0.291 -9.646) 10.488 1.102 ( -4.284 7.605 5.566) 10.352 1.233 ( 4.304 2.502 -4.383) 6.633 1.863 ( 6.147 7.700 9.885) 13.957 2.168 ( 3.075 2.535 -7.426) 8.428 4.160 ( -5.649 5.328 8.872) 11.790 4.653 ( 12.952 17.162 1.268) 21.538 5.794 ( -15.050 -17.957 3.122) 23.637 6.127 ( 0.224 -7.154 -2.433) 7.560 7.038 ( -5.171 -9.076 1.444) 10.545 7.295 ( -5.930 -11.962 15.105) 20.160 ======================= Grid point 1096 (277/288) ======================= q-point: ( 0.57 0.43 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( 2.973 -0.787 4.970) 5.844 0.961 ( 0.790 5.576 -0.877) 5.700 1.147 ( -0.449 6.396 5.287) 8.310 1.330 ( 4.203 3.497 -1.690) 5.723 2.034 ( 4.260 4.562 0.132) 6.243 2.271 ( 5.997 4.677 -1.972) 7.857 4.135 ( -8.939 7.787 8.244) 14.440 4.993 ( 5.693 4.879 3.571) 8.304 5.328 ( -13.067 -15.147 2.467) 20.157 6.039 ( -0.427 -6.062 -3.908) 7.225 6.846 ( -7.452 -7.020 0.546) 10.253 7.024 ( -11.094 -16.215 4.257) 20.103 ======================= Grid point 1097 (278/288) ======================= q-point: ( 0.64 0.43 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( 5.940 3.279 4.430) 8.103 1.039 ( -0.484 5.779 5.699) 8.131 1.227 ( 1.662 2.670 2.367) 3.937 1.433 ( 3.471 4.027 -0.385) 5.330 2.113 ( 0.876 2.760 -2.482) 3.813 2.458 ( 9.156 7.532 -1.604) 11.964 4.037 ( -15.218 10.238 5.789) 19.233 4.657 ( -23.833 -12.650 12.462) 29.721 5.398 ( 11.997 -1.723 3.994) 12.761 5.991 ( 3.335 -5.461 -2.910) 7.030 6.474 ( -22.124 -15.077 -5.331) 27.299 6.844 ( 4.569 -4.996 1.582) 6.952 ======================= Grid point 1110 (279/288) ======================= q-point: ( 0.50 0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.709 ( -0.000 4.568 12.976) 13.756 0.998 ( 0.000 0.028 -9.864) 9.864 1.167 ( 0.000 1.937 -9.179) 9.381 1.238 ( -0.000 6.562 2.871) 7.162 1.925 ( -0.000 7.616 7.902) 10.974 2.157 ( 0.000 4.737 -2.125) 5.192 4.198 ( 0.000 -2.818 -5.225) 5.936 4.801 ( -0.000 25.476 2.206) 25.571 5.701 ( 0.000 -24.763 -4.414) 25.153 6.066 ( -0.000 -5.086 4.397) 6.723 6.980 ( -0.000 -11.417 1.121) 11.472 7.248 ( -0.000 -16.544 10.477) 19.582 ======================= Grid point 1111 (280/288) ======================= q-point: ( 0.57 0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( -1.895 4.409 1.094) 4.923 0.975 ( 1.512 5.028 -4.780) 7.100 1.201 ( 2.581 2.160 -4.282) 5.446 1.314 ( 1.486 6.171 1.091) 6.441 2.029 ( 2.372 5.018 1.460) 5.739 2.248 ( 2.891 7.147 2.256) 8.033 4.201 ( 6.440 -2.740 -4.897) 8.542 5.027 ( 0.635 15.155 -3.284) 15.520 5.351 ( -9.421 -22.236 -2.074) 24.238 6.007 ( -3.046 -3.991 2.343) 5.540 6.842 ( -2.251 -11.070 1.360) 11.379 7.028 ( -7.573 -18.523 3.874) 20.383 ======================= Grid point 1112 (281/288) ======================= q-point: ( 0.64 0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( 3.986 6.903 -0.000) 7.971 1.073 ( 2.699 4.676 0.000) 5.399 1.248 ( 0.887 1.536 -0.000) 1.773 1.421 ( 3.226 5.588 -0.000) 6.452 2.117 ( 2.163 3.747 -0.000) 4.327 2.408 ( 5.564 9.637 -0.000) 11.128 4.280 ( 0.697 1.207 -0.000) 1.393 4.950 ( -8.945 -15.492 -0.000) 17.889 5.151 ( 2.308 3.997 -0.000) 4.615 5.912 ( -2.649 -4.588 -0.000) 5.297 6.619 ( -13.513 -23.405 -0.000) 27.025 6.746 ( -1.613 -2.794 0.000) 3.226 ======================= Grid point 1126 (282/288) ======================= q-point: ( 0.57 0.57 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( 0.000 6.000 -3.179) 6.791 0.956 ( 0.000 1.889 -8.424) 8.633 1.174 ( 0.000 4.759 -5.542) 7.305 1.366 ( -0.000 5.102 0.991) 5.198 2.057 ( -0.000 3.620 1.987) 4.129 2.324 ( -0.000 9.612 4.328) 10.541 4.008 ( 0.000 -9.506 -11.024) 14.556 4.975 ( 0.000 -23.258 -11.083) 25.763 5.361 ( 0.000 10.820 -3.453) 11.358 6.038 ( -0.000 -0.688 4.479) 4.531 6.713 ( -0.000 -19.503 2.961) 19.726 6.951 ( -0.000 -10.445 1.650) 10.575 ======================= Grid point 1300 (283/288) ======================= q-point: ( 0.43 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( -0.000 0.000 10.145) 10.145 0.919 ( -0.000 0.000 10.145) 10.145 1.105 ( 0.000 -0.000 -7.240) 7.240 1.105 ( 0.000 -0.000 -7.240) 7.240 1.613 ( -0.000 0.000 22.903) 22.903 2.090 ( 0.000 -0.000 -17.666) 17.666 4.153 ( -0.000 0.000 12.226) 12.226 4.153 ( -0.000 0.000 12.226) 12.226 6.246 ( 0.000 -0.000 -1.658) 1.658 6.246 ( 0.000 -0.000 -1.658) 1.658 7.249 ( -0.000 0.000 1.720) 1.720 7.526 ( -0.000 0.000 23.414) 23.414 ======================= Grid point 1301 (284/288) ======================= q-point: ( 0.50 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( -2.375 -1.371 13.365) 13.643 0.971 ( -4.663 -2.692 -13.499) 14.533 1.008 ( -0.196 -0.113 11.427) 11.429 1.173 ( 4.269 2.465 -5.002) 7.023 1.777 ( 6.804 3.928 14.106) 16.146 2.079 ( 3.815 2.203 -13.088) 13.809 4.145 ( -2.232 -1.289 12.224) 12.493 4.397 ( 15.260 8.810 1.731) 17.706 6.068 ( -13.681 -7.898 2.871) 16.056 6.216 ( -2.813 -1.624 -3.769) 4.975 7.177 ( -6.325 -3.652 1.014) 7.373 7.507 ( -7.105 -4.102 13.487) 15.786 ======================= Grid point 1302 (285/288) ======================= q-point: ( 0.57 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( -1.135 -0.655 -11.750) 11.823 0.887 ( 0.955 0.551 12.369) 12.418 1.064 ( 2.282 1.318 10.339) 10.669 1.266 ( 4.607 2.660 -2.606) 5.924 1.954 ( 5.720 3.302 1.641) 6.805 2.174 ( 6.269 3.619 -5.136) 8.875 4.114 ( -4.206 -2.428 11.600) 12.576 4.816 ( 18.994 10.966 -0.650) 21.942 5.651 ( -22.268 -12.856 5.803) 26.360 6.114 ( -3.904 -2.254 -5.086) 6.797 6.985 ( -9.603 -5.544 0.248) 11.092 7.283 ( -14.154 -8.172 3.228) 16.659 ======================= Grid point 1316 (286/288) ======================= q-point: ( 0.50 0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( -0.000 -8.050 15.893) 17.816 0.979 ( 0.000 -1.883 -11.598) 11.750 1.107 ( 0.000 1.302 -8.578) 8.676 1.118 ( -0.000 6.443 6.221) 8.956 1.814 ( -0.000 5.865 10.748) 12.244 2.037 ( 0.000 4.985 -8.605) 9.945 4.214 ( 0.000 -0.387 -1.663) 1.707 4.373 ( -0.000 16.495 6.606) 17.768 6.097 ( 0.000 -14.260 -2.948) 14.561 6.184 ( -0.000 -4.510 2.475) 5.144 7.179 ( -0.000 -7.352 0.521) 7.371 7.539 ( -0.000 -8.928 7.091) 11.402 ======================= Grid point 1317 (287/288) ======================= q-point: ( 0.57 0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( -2.643 -4.578 0.000) 5.286 0.876 ( 0.734 1.271 -0.000) 1.467 1.153 ( 1.334 2.311 0.000) 2.668 1.196 ( 3.003 5.200 -0.000) 6.005 1.922 ( 3.161 5.475 0.000) 6.322 2.121 ( 3.486 6.038 -0.000) 6.972 4.205 ( 0.225 0.389 0.000) 0.449 4.660 ( 9.963 17.257 -0.000) 19.927 5.809 ( -11.365 -19.685 -0.000) 22.730 6.114 ( -3.006 -5.206 -0.000) 6.012 7.045 ( -5.235 -9.067 -0.000) 10.470 7.372 ( -7.569 -13.110 -0.000) 15.138 ======================= Grid point 1527 (288/288) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( 0.000 -0.000 -0.000) 0.000 0.993 ( 0.000 -0.000 -0.000) 0.000 1.046 ( -0.000 0.000 0.000) 0.000 1.046 ( -0.000 0.000 0.000) 0.000 1.774 ( 0.000 -0.000 -0.000) 0.000 1.954 ( -0.000 0.000 0.000) 0.000 4.214 ( 0.000 -0.000 -0.000) 0.000 4.214 ( 0.000 -0.000 -0.000) 0.000 6.237 ( -0.000 0.000 0.000) 0.000 6.237 ( -0.000 0.000 0.000) 0.000 7.258 ( -0.000 0.000 0.000) 0.000 7.643 ( -0.000 0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/32928 10.0 128.211 128.211 164.998 0.000 -0.000 -0.000 3/32928 20.0 41.322 41.322 45.371 0.000 -0.000 -0.000 3/32928 30.0 23.253 23.253 24.028 0.000 -0.000 -0.000 3/32928 40.0 15.591 15.591 15.708 0.000 -0.000 -0.000 3/32928 50.0 11.430 11.430 11.408 0.000 -0.000 -0.000 3/32928 60.0 8.922 8.922 8.873 0.000 -0.000 -0.000 3/32928 70.0 7.294 7.294 7.243 0.000 -0.000 -0.000 3/32928 80.0 6.168 6.168 6.120 0.000 -0.000 -0.000 3/32928 90.0 5.348 5.348 5.305 0.000 -0.000 -0.000 3/32928 100.0 4.726 4.726 4.687 0.000 -0.000 -0.000 3/32928 110.0 4.238 4.238 4.203 0.000 -0.000 -0.000 3/32928 120.0 3.844 3.844 3.812 0.000 -0.000 -0.000 3/32928 130.0 3.520 3.520 3.490 0.000 -0.000 -0.000 3/32928 140.0 3.247 3.247 3.220 0.000 -0.000 -0.000 3/32928 150.0 3.015 3.015 2.990 0.000 -0.000 -0.000 3/32928 160.0 2.815 2.815 2.791 0.000 -0.000 -0.000 3/32928 170.0 2.640 2.640 2.618 0.000 -0.000 -0.000 3/32928 180.0 2.486 2.486 2.465 0.000 -0.000 -0.000 3/32928 190.0 2.350 2.350 2.330 0.000 -0.000 -0.000 3/32928 200.0 2.228 2.228 2.209 0.000 -0.000 -0.000 3/32928 210.0 2.118 2.118 2.100 0.000 -0.000 -0.000 3/32928 220.0 2.019 2.019 2.002 0.000 -0.000 -0.000 3/32928 230.0 1.928 1.928 1.912 0.000 -0.000 -0.000 3/32928 240.0 1.846 1.846 1.830 0.000 -0.000 -0.000 3/32928 250.0 1.770 1.770 1.756 0.000 -0.000 -0.000 3/32928 260.0 1.701 1.701 1.687 0.000 -0.000 -0.000 3/32928 270.0 1.637 1.637 1.623 0.000 -0.000 -0.000 3/32928 280.0 1.577 1.577 1.564 0.000 -0.000 -0.000 3/32928 290.0 1.522 1.522 1.509 0.000 -0.000 -0.000 3/32928 300.0 1.470 1.470 1.458 0.000 -0.000 -0.000 3/32928 310.0 1.422 1.422 1.410 0.000 -0.000 -0.000 3/32928 320.0 1.377 1.377 1.365 0.000 -0.000 -0.000 3/32928 330.0 1.335 1.335 1.324 0.000 -0.000 -0.000 3/32928 340.0 1.295 1.295 1.284 0.000 -0.000 -0.000 3/32928 350.0 1.258 1.258 1.247 0.000 -0.000 -0.000 3/32928 360.0 1.222 1.222 1.212 0.000 -0.000 -0.000 3/32928 370.0 1.189 1.189 1.179 0.000 -0.000 -0.000 3/32928 380.0 1.157 1.157 1.148 0.000 -0.000 -0.000 3/32928 390.0 1.127 1.127 1.118 0.000 -0.000 -0.000 3/32928 400.0 1.099 1.099 1.090 0.000 -0.000 -0.000 3/32928 410.0 1.072 1.072 1.063 0.000 -0.000 -0.000 3/32928 420.0 1.046 1.046 1.037 0.000 -0.000 -0.000 3/32928 430.0 1.022 1.022 1.013 0.000 -0.000 -0.000 3/32928 440.0 0.998 0.998 0.990 0.000 -0.000 -0.000 3/32928 450.0 0.976 0.976 0.968 0.000 -0.000 -0.000 3/32928 460.0 0.955 0.955 0.947 0.000 -0.000 -0.000 3/32928 470.0 0.934 0.934 0.926 0.000 -0.000 -0.000 3/32928 480.0 0.915 0.915 0.907 0.000 -0.000 -0.000 3/32928 490.0 0.896 0.896 0.888 0.000 -0.000 -0.000 3/32928 500.0 0.878 0.878 0.871 0.000 -0.000 -0.000 3/32928 510.0 0.861 0.861 0.853 0.000 -0.000 -0.000 3/32928 520.0 0.844 0.844 0.837 0.000 -0.000 -0.000 3/32928 530.0 0.828 0.828 0.821 0.000 -0.000 -0.000 3/32928 540.0 0.813 0.813 0.806 0.000 -0.000 -0.000 3/32928 550.0 0.798 0.798 0.791 0.000 -0.000 -0.000 3/32928 560.0 0.783 0.783 0.777 0.000 -0.000 -0.000 3/32928 570.0 0.770 0.770 0.763 0.000 -0.000 -0.000 3/32928 580.0 0.756 0.756 0.750 0.000 -0.000 -0.000 3/32928 590.0 0.743 0.743 0.737 0.000 -0.000 -0.000 3/32928 600.0 0.731 0.731 0.725 0.000 -0.000 -0.000 3/32928 610.0 0.719 0.719 0.713 0.000 -0.000 -0.000 3/32928 620.0 0.707 0.707 0.701 0.000 -0.000 -0.000 3/32928 630.0 0.696 0.696 0.690 0.000 -0.000 -0.000 3/32928 640.0 0.685 0.685 0.679 0.000 -0.000 -0.000 3/32928 650.0 0.675 0.675 0.669 0.000 -0.000 -0.000 3/32928 660.0 0.664 0.664 0.659 0.000 -0.000 -0.000 3/32928 670.0 0.654 0.654 0.649 0.000 -0.000 -0.000 3/32928 680.0 0.645 0.645 0.639 0.000 -0.000 -0.000 3/32928 690.0 0.635 0.635 0.630 0.000 -0.000 -0.000 3/32928 700.0 0.626 0.626 0.621 0.000 -0.000 -0.000 3/32928 710.0 0.617 0.617 0.612 0.000 -0.000 -0.000 3/32928 720.0 0.609 0.609 0.604 0.000 -0.000 -0.000 3/32928 730.0 0.600 0.600 0.595 0.000 -0.000 -0.000 3/32928 740.0 0.592 0.592 0.587 0.000 -0.000 -0.000 3/32928 750.0 0.584 0.584 0.580 0.000 -0.000 -0.000 3/32928 760.0 0.577 0.577 0.572 0.000 -0.000 -0.000 3/32928 770.0 0.569 0.569 0.564 0.000 -0.000 -0.000 3/32928 780.0 0.562 0.562 0.557 0.000 -0.000 -0.000 3/32928 790.0 0.555 0.555 0.550 0.000 -0.000 -0.000 3/32928 800.0 0.548 0.548 0.543 0.000 -0.000 -0.000 3/32928 810.0 0.541 0.541 0.537 0.000 -0.000 -0.000 3/32928 820.0 0.534 0.534 0.530 0.000 -0.000 -0.000 3/32928 830.0 0.528 0.528 0.524 0.000 -0.000 -0.000 3/32928 840.0 0.522 0.522 0.517 0.000 -0.000 -0.000 3/32928 850.0 0.516 0.516 0.511 0.000 -0.000 -0.000 3/32928 860.0 0.510 0.510 0.505 0.000 -0.000 -0.000 3/32928 870.0 0.504 0.504 0.499 0.000 -0.000 -0.000 3/32928 880.0 0.498 0.498 0.494 0.000 -0.000 -0.000 3/32928 890.0 0.492 0.492 0.488 0.000 -0.000 -0.000 3/32928 900.0 0.487 0.487 0.483 0.000 -0.000 -0.000 3/32928 910.0 0.481 0.481 0.477 0.000 -0.000 -0.000 3/32928 920.0 0.476 0.476 0.472 0.000 -0.000 -0.000 3/32928 930.0 0.471 0.471 0.467 0.000 -0.000 -0.000 3/32928 940.0 0.466 0.466 0.462 0.000 -0.000 -0.000 3/32928 950.0 0.461 0.461 0.457 0.000 -0.000 -0.000 3/32928 960.0 0.456 0.456 0.453 0.000 -0.000 -0.000 3/32928 970.0 0.452 0.452 0.448 0.000 -0.000 -0.000 3/32928 980.0 0.447 0.447 0.443 0.000 -0.000 -0.000 3/32928 990.0 0.443 0.443 0.439 0.000 -0.000 -0.000 3/32928 1000.0 0.438 0.438 0.434 0.000 -0.000 -0.000 3/32928 Thermal conductivity related properties were written into "kappa-m141414.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 11:02:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|