----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:44:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) Number of symmetry operations in supercell: 324 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.728223350210687 0.997790216463934 6.117744003333327 b -1.728223350210683 0.997790216463934 6.117744003333327 c 0.000000000000001 -1.995580432927872 6.117744003333327 Atomic positions (fractional): *1 O 0.73166155672215 0.73166155672215 0.73166155672216 15.999 2 O 0.26833844327785 0.26833844327785 0.26833844327785 15.999 *3 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 *4 Tl 0.00000000000000 0.00000000000000 0.00000000000000 204.383 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.456446700421369 0.000000000000000 0.000000000000000 b -1.728223350210684 2.993370649391806 0.000000000000000 c 0.000000000000000 0.000000000000000 18.353232009999999 Atomic positions (fractional): *1 O 0.66666666666667 0.33333333333333 0.06499489005549 15.999 > 1 2 O 0.00000000000000 0.00000000000000 0.26833844327785 15.999 > 2 3 O 0.33333333333333 0.66666666666667 0.39832822338882 15.999 > 1 4 O 0.66666666666667 0.33333333333333 0.60167177661118 15.999 > 2 5 O 0.00000000000000 0.00000000000000 0.73166155672215 15.999 > 1 6 O 0.33333333333333 0.66666666666667 0.93500510994451 15.999 > 2 *7 K 0.33333333333333 0.66666666666667 0.16666666666667 39.098 > 3 8 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 3 9 K 0.66666666666667 0.33333333333333 0.83333333333333 39.098 > 3 *10 Tl 0.00000000000000 0.00000000000000 0.00000000000000 204.383 > 4 11 Tl 0.66666666666667 0.33333333333333 0.33333333333333 204.383 > 4 12 Tl 0.33333333333333 0.66666666666667 0.66666666666667 204.383 > 4 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.369340101264108 0.000000000000000 0.000000000000000 b -5.184670050632052 8.980111948175418 0.000000000000000 c 0.000000000000000 0.000000000000000 18.353232009999999 Atomic positions (fractional): *1 O 0.22222222222222 0.11111111111111 0.06499489005549 15.999 > 1 2 O 0.55555555555556 0.11111111111111 0.06499489005549 15.999 > 1 3 O 0.88888888888889 0.11111111111111 0.06499489005549 15.999 > 1 4 O 0.22222222222222 0.44444444444444 0.06499489005549 15.999 > 1 5 O 0.55555555555556 0.44444444444444 0.06499489005549 15.999 > 1 6 O 0.88888888888889 0.44444444444444 0.06499489005549 15.999 > 1 7 O 0.22222222222222 0.77777777777778 0.06499489005549 15.999 > 1 8 O 0.55555555555556 0.77777777777778 0.06499489005549 15.999 > 1 9 O 0.88888888888889 0.77777777777778 0.06499489005549 15.999 > 1 10 O 0.00000000000000 0.00000000000000 0.26833844327785 15.999 > 2 11 O 0.33333333333333 0.00000000000000 0.26833844327785 15.999 > 2 12 O 0.66666666666667 0.00000000000000 0.26833844327785 15.999 > 2 13 O 0.00000000000000 0.33333333333333 0.26833844327785 15.999 > 2 14 O 0.33333333333333 0.33333333333333 0.26833844327785 15.999 > 2 15 O 0.66666666666667 0.33333333333333 0.26833844327785 15.999 > 2 16 O 0.00000000000000 0.66666666666667 0.26833844327785 15.999 > 2 17 O 0.33333333333333 0.66666666666667 0.26833844327785 15.999 > 2 18 O 0.66666666666667 0.66666666666667 0.26833844327785 15.999 > 2 19 O 0.11111111111111 0.22222222222222 0.39832822338882 15.999 > 1 20 O 0.44444444444444 0.22222222222222 0.39832822338882 15.999 > 1 21 O 0.77777777777778 0.22222222222222 0.39832822338882 15.999 > 1 22 O 0.11111111111111 0.55555555555556 0.39832822338882 15.999 > 1 23 O 0.44444444444444 0.55555555555556 0.39832822338882 15.999 > 1 24 O 0.77777777777778 0.55555555555556 0.39832822338882 15.999 > 1 25 O 0.11111111111111 0.88888888888889 0.39832822338882 15.999 > 1 26 O 0.44444444444444 0.88888888888889 0.39832822338882 15.999 > 1 27 O 0.77777777777778 0.88888888888889 0.39832822338882 15.999 > 1 28 O 0.22222222222222 0.11111111111111 0.60167177661118 15.999 > 2 29 O 0.55555555555556 0.11111111111111 0.60167177661118 15.999 > 2 30 O 0.88888888888889 0.11111111111111 0.60167177661118 15.999 > 2 31 O 0.22222222222222 0.44444444444444 0.60167177661118 15.999 > 2 32 O 0.55555555555556 0.44444444444444 0.60167177661118 15.999 > 2 33 O 0.88888888888889 0.44444444444444 0.60167177661118 15.999 > 2 34 O 0.22222222222222 0.77777777777778 0.60167177661118 15.999 > 2 35 O 0.55555555555556 0.77777777777778 0.60167177661118 15.999 > 2 36 O 0.88888888888889 0.77777777777778 0.60167177661118 15.999 > 2 37 O 0.00000000000000 0.00000000000000 0.73166155672215 15.999 > 1 38 O 0.33333333333333 0.00000000000000 0.73166155672215 15.999 > 1 39 O 0.66666666666667 0.00000000000000 0.73166155672215 15.999 > 1 40 O 0.00000000000000 0.33333333333333 0.73166155672215 15.999 > 1 41 O 0.33333333333333 0.33333333333333 0.73166155672215 15.999 > 1 42 O 0.66666666666667 0.33333333333333 0.73166155672215 15.999 > 1 43 O 0.00000000000000 0.66666666666667 0.73166155672215 15.999 > 1 44 O 0.33333333333333 0.66666666666667 0.73166155672215 15.999 > 1 45 O 0.66666666666667 0.66666666666667 0.73166155672215 15.999 > 1 46 O 0.11111111111111 0.22222222222222 0.93500510994451 15.999 > 2 47 O 0.44444444444444 0.22222222222222 0.93500510994451 15.999 > 2 48 O 0.77777777777778 0.22222222222222 0.93500510994451 15.999 > 2 49 O 0.11111111111111 0.55555555555556 0.93500510994451 15.999 > 2 50 O 0.44444444444444 0.55555555555556 0.93500510994451 15.999 > 2 51 O 0.77777777777778 0.55555555555556 0.93500510994451 15.999 > 2 52 O 0.11111111111111 0.88888888888889 0.93500510994451 15.999 > 2 53 O 0.44444444444444 0.88888888888889 0.93500510994451 15.999 > 2 54 O 0.77777777777778 0.88888888888889 0.93500510994451 15.999 > 2 *55 K 0.11111111111111 0.22222222222222 0.16666666666667 39.098 > 3 56 K 0.44444444444444 0.22222222222222 0.16666666666667 39.098 > 3 57 K 0.77777777777778 0.22222222222222 0.16666666666667 39.098 > 3 58 K 0.11111111111111 0.55555555555556 0.16666666666667 39.098 > 3 59 K 0.44444444444444 0.55555555555556 0.16666666666667 39.098 > 3 60 K 0.77777777777778 0.55555555555556 0.16666666666667 39.098 > 3 61 K 0.11111111111111 0.88888888888889 0.16666666666667 39.098 > 3 62 K 0.44444444444444 0.88888888888889 0.16666666666667 39.098 > 3 63 K 0.77777777777778 0.88888888888889 0.16666666666667 39.098 > 3 64 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 3 65 K 0.33333333333333 0.00000000000000 0.50000000000000 39.098 > 3 66 K 0.66666666666667 0.00000000000000 0.50000000000000 39.098 > 3 67 K 0.00000000000000 0.33333333333333 0.50000000000000 39.098 > 3 68 K 0.33333333333333 0.33333333333333 0.50000000000000 39.098 > 3 69 K 0.66666666666667 0.33333333333333 0.50000000000000 39.098 > 3 70 K 0.00000000000000 0.66666666666667 0.50000000000000 39.098 > 3 71 K 0.33333333333333 0.66666666666667 0.50000000000000 39.098 > 3 72 K 0.66666666666667 0.66666666666667 0.50000000000000 39.098 > 3 73 K 0.22222222222222 0.11111111111111 0.83333333333333 39.098 > 3 74 K 0.55555555555556 0.11111111111111 0.83333333333333 39.098 > 3 75 K 0.88888888888889 0.11111111111111 0.83333333333333 39.098 > 3 76 K 0.22222222222222 0.44444444444444 0.83333333333333 39.098 > 3 77 K 0.55555555555556 0.44444444444444 0.83333333333333 39.098 > 3 78 K 0.88888888888889 0.44444444444444 0.83333333333333 39.098 > 3 79 K 0.22222222222222 0.77777777777778 0.83333333333333 39.098 > 3 80 K 0.55555555555556 0.77777777777778 0.83333333333333 39.098 > 3 81 K 0.88888888888889 0.77777777777778 0.83333333333333 39.098 > 3 *82 Tl 0.00000000000000 0.00000000000000 0.00000000000000 204.383 > 4 83 Tl 0.33333333333333 0.00000000000000 0.00000000000000 204.383 > 4 84 Tl 0.66666666666667 0.00000000000000 0.00000000000000 204.383 > 4 85 Tl 0.00000000000000 0.33333333333333 0.00000000000000 204.383 > 4 86 Tl 0.33333333333333 0.33333333333333 0.00000000000000 204.383 > 4 87 Tl 0.66666666666667 0.33333333333333 0.00000000000000 204.383 > 4 88 Tl 0.00000000000000 0.66666666666667 0.00000000000000 204.383 > 4 89 Tl 0.33333333333333 0.66666666666667 0.00000000000000 204.383 > 4 90 Tl 0.66666666666667 0.66666666666667 0.00000000000000 204.383 > 4 91 Tl 0.22222222222222 0.11111111111111 0.33333333333333 204.383 > 4 92 Tl 0.55555555555556 0.11111111111111 0.33333333333333 204.383 > 4 93 Tl 0.88888888888889 0.11111111111111 0.33333333333333 204.383 > 4 94 Tl 0.22222222222222 0.44444444444444 0.33333333333333 204.383 > 4 95 Tl 0.55555555555556 0.44444444444444 0.33333333333333 204.383 > 4 96 Tl 0.88888888888889 0.44444444444444 0.33333333333333 204.383 > 4 97 Tl 0.22222222222222 0.77777777777778 0.33333333333333 204.383 > 4 98 Tl 0.55555555555556 0.77777777777778 0.33333333333333 204.383 > 4 99 Tl 0.88888888888889 0.77777777777778 0.33333333333333 204.383 > 4 100 Tl 0.11111111111111 0.22222222222222 0.66666666666667 204.383 > 4 101 Tl 0.44444444444444 0.22222222222222 0.66666666666667 204.383 > 4 102 Tl 0.77777777777778 0.22222222222222 0.66666666666667 204.383 > 4 103 Tl 0.11111111111111 0.55555555555556 0.66666666666667 204.383 > 4 104 Tl 0.44444444444444 0.55555555555556 0.66666666666667 204.383 > 4 105 Tl 0.77777777777778 0.55555555555556 0.66666666666667 204.383 > 4 106 Tl 0.11111111111111 0.88888888888889 0.66666666666667 204.383 > 4 107 Tl 0.44444444444444 0.88888888888889 0.66666666666667 204.383 > 4 108 Tl 0.77777777777778 0.88888888888889 0.66666666666667 204.383 > 4 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.6465277 0.0000000 0.0000000 0.0000000 5.6465277 0.0000000 0.0000000 0.0000000 3.8792086 -------------------------- Born effective charges -------------------------- 1 O -2.4266857 -0.0000000 0.0000000 0.0000000 -2.4266857 0.0000000 0.0000000 0.0000000 -1.6440473 2 O -2.4266857 -0.0000000 0.0000000 0.0000000 -2.4266857 0.0000000 0.0000000 0.0000000 -1.6440473 3 K 1.0365921 0.0000000 0.0000000 0.0000000 1.0365921 0.0000000 0.0000000 0.0000000 1.7133393 4 Tl 3.8167793 0.0000000 0.0000000 0.0000000 3.8167793 0.0000000 0.0000000 0.0000000 1.5747554 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 324/324 Permutation basis: 2568/2568 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 215 Number of blocks in projector: 192 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 5 --- Eigsh_solver_block: 1 / 5 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 5 --- Block_size: 62 Use standard eigh solver. --- Eigsh_solver_block: 3 / 5 --- Block_size: 54 Use standard eigh solver. --- Eigsh_solver_block: 4 / 5 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 5 / 5 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (54, 51), data: True |-- (62, 62), data: True |-- (97, 94), data: True ----- Solver_atoms: 1 -- 108 / 108 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 80 / 80 - Time: 0.110 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.117 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 324/324 Permutation basis: 2568/2568 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 215 Number of blocks in projector: 192 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 5 --- Eigsh_solver_block: 1 / 5 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 5 --- Block_size: 62 Use standard eigh solver. --- Eigsh_solver_block: 3 / 5 --- Block_size: 54 Use standard eigh solver. --- Eigsh_solver_block: 4 / 5 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 5 / 5 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (54, 51), data: True |-- (62, 62), data: True |-- (97, 94), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 22:44:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:44:23]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.728223350210687 0.997790216463934 6.117744003333327 b -1.728223350210683 0.997790216463934 6.117744003333327 c 0.000000000000001 -1.995580432927872 6.117744003333327 Atomic positions (fractional): 1 O 0.73166155672215 0.73166155672215 0.73166155672216 15.999 2 O 0.26833844327785 0.26833844327785 0.26833844327785 15.999 3 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 4 Tl 0.00000000000000 0.00000000000000 0.00000000000000 204.383 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.369340101264108 0.000000000000000 0.000000000000000 b -5.184670050632052 8.980111948175418 0.000000000000000 c 0.000000000000000 0.000000000000000 18.353232009999999 Atomic positions (fractional): 1 O 0.22222222222222 0.11111111111111 0.06499489005549 15.999 > 1 2 O 0.55555555555556 0.11111111111111 0.06499489005549 15.999 > 1 3 O 0.88888888888889 0.11111111111111 0.06499489005549 15.999 > 1 4 O 0.22222222222222 0.44444444444444 0.06499489005549 15.999 > 1 5 O 0.55555555555556 0.44444444444444 0.06499489005549 15.999 > 1 6 O 0.88888888888889 0.44444444444444 0.06499489005549 15.999 > 1 7 O 0.22222222222222 0.77777777777778 0.06499489005549 15.999 > 1 8 O 0.55555555555556 0.77777777777778 0.06499489005549 15.999 > 1 9 O 0.88888888888889 0.77777777777778 0.06499489005549 15.999 > 1 10 O 0.00000000000000 0.00000000000000 0.26833844327785 15.999 > 10 11 O 0.33333333333333 0.00000000000000 0.26833844327785 15.999 > 10 12 O 0.66666666666667 0.00000000000000 0.26833844327785 15.999 > 10 13 O 0.00000000000000 0.33333333333333 0.26833844327785 15.999 > 10 14 O 0.33333333333333 0.33333333333333 0.26833844327785 15.999 > 10 15 O 0.66666666666667 0.33333333333333 0.26833844327785 15.999 > 10 16 O 0.00000000000000 0.66666666666667 0.26833844327785 15.999 > 10 17 O 0.33333333333333 0.66666666666667 0.26833844327785 15.999 > 10 18 O 0.66666666666667 0.66666666666667 0.26833844327785 15.999 > 10 19 O 0.11111111111111 0.22222222222222 0.39832822338882 15.999 > 1 20 O 0.44444444444444 0.22222222222222 0.39832822338882 15.999 > 1 21 O 0.77777777777778 0.22222222222222 0.39832822338882 15.999 > 1 22 O 0.11111111111111 0.55555555555556 0.39832822338882 15.999 > 1 23 O 0.44444444444444 0.55555555555556 0.39832822338882 15.999 > 1 24 O 0.77777777777778 0.55555555555556 0.39832822338882 15.999 > 1 25 O 0.11111111111111 0.88888888888889 0.39832822338882 15.999 > 1 26 O 0.44444444444444 0.88888888888889 0.39832822338882 15.999 > 1 27 O 0.77777777777778 0.88888888888889 0.39832822338882 15.999 > 1 28 O 0.22222222222222 0.11111111111111 0.60167177661118 15.999 > 10 29 O 0.55555555555556 0.11111111111111 0.60167177661118 15.999 > 10 30 O 0.88888888888889 0.11111111111111 0.60167177661118 15.999 > 10 31 O 0.22222222222222 0.44444444444444 0.60167177661118 15.999 > 10 32 O 0.55555555555556 0.44444444444444 0.60167177661118 15.999 > 10 33 O 0.88888888888889 0.44444444444444 0.60167177661118 15.999 > 10 34 O 0.22222222222222 0.77777777777778 0.60167177661118 15.999 > 10 35 O 0.55555555555556 0.77777777777778 0.60167177661118 15.999 > 10 36 O 0.88888888888889 0.77777777777778 0.60167177661118 15.999 > 10 37 O 0.00000000000000 0.00000000000000 0.73166155672215 15.999 > 1 38 O 0.33333333333333 0.00000000000000 0.73166155672215 15.999 > 1 39 O 0.66666666666667 0.00000000000000 0.73166155672215 15.999 > 1 40 O 0.00000000000000 0.33333333333333 0.73166155672215 15.999 > 1 41 O 0.33333333333333 0.33333333333333 0.73166155672215 15.999 > 1 42 O 0.66666666666667 0.33333333333333 0.73166155672215 15.999 > 1 43 O 0.00000000000000 0.66666666666667 0.73166155672215 15.999 > 1 44 O 0.33333333333333 0.66666666666667 0.73166155672215 15.999 > 1 45 O 0.66666666666667 0.66666666666667 0.73166155672215 15.999 > 1 46 O 0.11111111111111 0.22222222222222 0.93500510994451 15.999 > 10 47 O 0.44444444444444 0.22222222222222 0.93500510994451 15.999 > 10 48 O 0.77777777777778 0.22222222222222 0.93500510994451 15.999 > 10 49 O 0.11111111111111 0.55555555555556 0.93500510994451 15.999 > 10 50 O 0.44444444444444 0.55555555555556 0.93500510994451 15.999 > 10 51 O 0.77777777777778 0.55555555555556 0.93500510994451 15.999 > 10 52 O 0.11111111111111 0.88888888888889 0.93500510994451 15.999 > 10 53 O 0.44444444444444 0.88888888888889 0.93500510994451 15.999 > 10 54 O 0.77777777777778 0.88888888888889 0.93500510994451 15.999 > 10 55 K 0.11111111111111 0.22222222222222 0.16666666666667 39.098 > 55 56 K 0.44444444444444 0.22222222222222 0.16666666666667 39.098 > 55 57 K 0.77777777777778 0.22222222222222 0.16666666666667 39.098 > 55 58 K 0.11111111111111 0.55555555555556 0.16666666666667 39.098 > 55 59 K 0.44444444444444 0.55555555555556 0.16666666666667 39.098 > 55 60 K 0.77777777777778 0.55555555555556 0.16666666666667 39.098 > 55 61 K 0.11111111111111 0.88888888888889 0.16666666666667 39.098 > 55 62 K 0.44444444444444 0.88888888888889 0.16666666666667 39.098 > 55 63 K 0.77777777777778 0.88888888888889 0.16666666666667 39.098 > 55 64 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 55 65 K 0.33333333333333 0.00000000000000 0.50000000000000 39.098 > 55 66 K 0.66666666666667 0.00000000000000 0.50000000000000 39.098 > 55 67 K 0.00000000000000 0.33333333333333 0.50000000000000 39.098 > 55 68 K 0.33333333333333 0.33333333333333 0.50000000000000 39.098 > 55 69 K 0.66666666666667 0.33333333333333 0.50000000000000 39.098 > 55 70 K 0.00000000000000 0.66666666666667 0.50000000000000 39.098 > 55 71 K 0.33333333333333 0.66666666666667 0.50000000000000 39.098 > 55 72 K 0.66666666666667 0.66666666666667 0.50000000000000 39.098 > 55 73 K 0.22222222222222 0.11111111111111 0.83333333333333 39.098 > 55 74 K 0.55555555555556 0.11111111111111 0.83333333333333 39.098 > 55 75 K 0.88888888888889 0.11111111111111 0.83333333333333 39.098 > 55 76 K 0.22222222222222 0.44444444444444 0.83333333333333 39.098 > 55 77 K 0.55555555555556 0.44444444444444 0.83333333333333 39.098 > 55 78 K 0.88888888888889 0.44444444444444 0.83333333333333 39.098 > 55 79 K 0.22222222222222 0.77777777777778 0.83333333333333 39.098 > 55 80 K 0.55555555555556 0.77777777777778 0.83333333333333 39.098 > 55 81 K 0.88888888888889 0.77777777777778 0.83333333333333 39.098 > 55 82 Tl 0.00000000000000 0.00000000000000 0.00000000000000 204.383 > 82 83 Tl 0.33333333333333 0.00000000000000 0.00000000000000 204.383 > 82 84 Tl 0.66666666666667 0.00000000000000 0.00000000000000 204.383 > 82 85 Tl 0.00000000000000 0.33333333333333 0.00000000000000 204.383 > 82 86 Tl 0.33333333333333 0.33333333333333 0.00000000000000 204.383 > 82 87 Tl 0.66666666666667 0.33333333333333 0.00000000000000 204.383 > 82 88 Tl 0.00000000000000 0.66666666666667 0.00000000000000 204.383 > 82 89 Tl 0.33333333333333 0.66666666666667 0.00000000000000 204.383 > 82 90 Tl 0.66666666666667 0.66666666666667 0.00000000000000 204.383 > 82 91 Tl 0.22222222222222 0.11111111111111 0.33333333333333 204.383 > 82 92 Tl 0.55555555555556 0.11111111111111 0.33333333333333 204.383 > 82 93 Tl 0.88888888888889 0.11111111111111 0.33333333333333 204.383 > 82 94 Tl 0.22222222222222 0.44444444444444 0.33333333333333 204.383 > 82 95 Tl 0.55555555555556 0.44444444444444 0.33333333333333 204.383 > 82 96 Tl 0.88888888888889 0.44444444444444 0.33333333333333 204.383 > 82 97 Tl 0.22222222222222 0.77777777777778 0.33333333333333 204.383 > 82 98 Tl 0.55555555555556 0.77777777777778 0.33333333333333 204.383 > 82 99 Tl 0.88888888888889 0.77777777777778 0.33333333333333 204.383 > 82 100 Tl 0.11111111111111 0.22222222222222 0.66666666666667 204.383 > 82 101 Tl 0.44444444444444 0.22222222222222 0.66666666666667 204.383 > 82 102 Tl 0.77777777777778 0.22222222222222 0.66666666666667 204.383 > 82 103 Tl 0.11111111111111 0.55555555555556 0.66666666666667 204.383 > 82 104 Tl 0.44444444444444 0.55555555555556 0.66666666666667 204.383 > 82 105 Tl 0.77777777777778 0.55555555555556 0.66666666666667 204.383 > 82 106 Tl 0.11111111111111 0.88888888888889 0.66666666666667 204.383 > 82 107 Tl 0.44444444444444 0.88888888888889 0.66666666666667 204.383 > 82 108 Tl 0.77777777777778 0.88888888888889 0.66666666666667 204.383 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.6465277 0.0000000 0.0000000 0.0000000 5.6465277 0.0000000 0.0000000 0.0000000 3.8792086 -------------------------- Born effective charges -------------------------- 1 O -2.4266857 -0.0000000 0.0000000 0.0000000 -2.4266857 0.0000000 0.0000000 0.0000000 -1.6440473 2 O -2.4266857 -0.0000000 0.0000000 0.0000000 -2.4266857 0.0000000 0.0000000 0.0000000 -1.6440473 3 K 1.0365921 0.0000000 0.0000000 0.0000000 1.0365921 0.0000000 0.0000000 0.0000000 1.7133393 4 Tl 3.8167793 0.0000000 0.0000000 0.0000000 3.8167793 0.0000000 0.0000000 0.0000000 1.5747554 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 55, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 82, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyz) 0.00000000 (yyz) 0.00000000 (yzy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:44:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:44:28]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.728223350210687 0.997790216463934 6.117744003333327 b -1.728223350210683 0.997790216463934 6.117744003333327 c 0.000000000000001 -1.995580432927872 6.117744003333327 Atomic positions (fractional): 1 O 0.73166155672215 0.73166155672215 0.73166155672216 15.999 2 O 0.26833844327785 0.26833844327785 0.26833844327785 15.999 3 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 4 Tl 0.00000000000000 0.00000000000000 0.00000000000000 204.383 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.369340101264108 0.000000000000000 0.000000000000000 b -5.184670050632052 8.980111948175418 0.000000000000000 c 0.000000000000000 0.000000000000000 18.353232009999999 Atomic positions (fractional): 1 O 0.22222222222222 0.11111111111111 0.06499489005549 15.999 > 1 2 O 0.55555555555556 0.11111111111111 0.06499489005549 15.999 > 1 3 O 0.88888888888889 0.11111111111111 0.06499489005549 15.999 > 1 4 O 0.22222222222222 0.44444444444444 0.06499489005549 15.999 > 1 5 O 0.55555555555556 0.44444444444444 0.06499489005549 15.999 > 1 6 O 0.88888888888889 0.44444444444444 0.06499489005549 15.999 > 1 7 O 0.22222222222222 0.77777777777778 0.06499489005549 15.999 > 1 8 O 0.55555555555556 0.77777777777778 0.06499489005549 15.999 > 1 9 O 0.88888888888889 0.77777777777778 0.06499489005549 15.999 > 1 10 O 0.00000000000000 0.00000000000000 0.26833844327785 15.999 > 10 11 O 0.33333333333333 0.00000000000000 0.26833844327785 15.999 > 10 12 O 0.66666666666667 0.00000000000000 0.26833844327785 15.999 > 10 13 O 0.00000000000000 0.33333333333333 0.26833844327785 15.999 > 10 14 O 0.33333333333333 0.33333333333333 0.26833844327785 15.999 > 10 15 O 0.66666666666667 0.33333333333333 0.26833844327785 15.999 > 10 16 O 0.00000000000000 0.66666666666667 0.26833844327785 15.999 > 10 17 O 0.33333333333333 0.66666666666667 0.26833844327785 15.999 > 10 18 O 0.66666666666667 0.66666666666667 0.26833844327785 15.999 > 10 19 O 0.11111111111111 0.22222222222222 0.39832822338882 15.999 > 1 20 O 0.44444444444444 0.22222222222222 0.39832822338882 15.999 > 1 21 O 0.77777777777778 0.22222222222222 0.39832822338882 15.999 > 1 22 O 0.11111111111111 0.55555555555556 0.39832822338882 15.999 > 1 23 O 0.44444444444444 0.55555555555556 0.39832822338882 15.999 > 1 24 O 0.77777777777778 0.55555555555556 0.39832822338882 15.999 > 1 25 O 0.11111111111111 0.88888888888889 0.39832822338882 15.999 > 1 26 O 0.44444444444444 0.88888888888889 0.39832822338882 15.999 > 1 27 O 0.77777777777778 0.88888888888889 0.39832822338882 15.999 > 1 28 O 0.22222222222222 0.11111111111111 0.60167177661118 15.999 > 10 29 O 0.55555555555556 0.11111111111111 0.60167177661118 15.999 > 10 30 O 0.88888888888889 0.11111111111111 0.60167177661118 15.999 > 10 31 O 0.22222222222222 0.44444444444444 0.60167177661118 15.999 > 10 32 O 0.55555555555556 0.44444444444444 0.60167177661118 15.999 > 10 33 O 0.88888888888889 0.44444444444444 0.60167177661118 15.999 > 10 34 O 0.22222222222222 0.77777777777778 0.60167177661118 15.999 > 10 35 O 0.55555555555556 0.77777777777778 0.60167177661118 15.999 > 10 36 O 0.88888888888889 0.77777777777778 0.60167177661118 15.999 > 10 37 O 0.00000000000000 0.00000000000000 0.73166155672215 15.999 > 1 38 O 0.33333333333333 0.00000000000000 0.73166155672215 15.999 > 1 39 O 0.66666666666667 0.00000000000000 0.73166155672215 15.999 > 1 40 O 0.00000000000000 0.33333333333333 0.73166155672215 15.999 > 1 41 O 0.33333333333333 0.33333333333333 0.73166155672215 15.999 > 1 42 O 0.66666666666667 0.33333333333333 0.73166155672215 15.999 > 1 43 O 0.00000000000000 0.66666666666667 0.73166155672215 15.999 > 1 44 O 0.33333333333333 0.66666666666667 0.73166155672215 15.999 > 1 45 O 0.66666666666667 0.66666666666667 0.73166155672215 15.999 > 1 46 O 0.11111111111111 0.22222222222222 0.93500510994451 15.999 > 10 47 O 0.44444444444444 0.22222222222222 0.93500510994451 15.999 > 10 48 O 0.77777777777778 0.22222222222222 0.93500510994451 15.999 > 10 49 O 0.11111111111111 0.55555555555556 0.93500510994451 15.999 > 10 50 O 0.44444444444444 0.55555555555556 0.93500510994451 15.999 > 10 51 O 0.77777777777778 0.55555555555556 0.93500510994451 15.999 > 10 52 O 0.11111111111111 0.88888888888889 0.93500510994451 15.999 > 10 53 O 0.44444444444444 0.88888888888889 0.93500510994451 15.999 > 10 54 O 0.77777777777778 0.88888888888889 0.93500510994451 15.999 > 10 55 K 0.11111111111111 0.22222222222222 0.16666666666667 39.098 > 55 56 K 0.44444444444444 0.22222222222222 0.16666666666667 39.098 > 55 57 K 0.77777777777778 0.22222222222222 0.16666666666667 39.098 > 55 58 K 0.11111111111111 0.55555555555556 0.16666666666667 39.098 > 55 59 K 0.44444444444444 0.55555555555556 0.16666666666667 39.098 > 55 60 K 0.77777777777778 0.55555555555556 0.16666666666667 39.098 > 55 61 K 0.11111111111111 0.88888888888889 0.16666666666667 39.098 > 55 62 K 0.44444444444444 0.88888888888889 0.16666666666667 39.098 > 55 63 K 0.77777777777778 0.88888888888889 0.16666666666667 39.098 > 55 64 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 55 65 K 0.33333333333333 0.00000000000000 0.50000000000000 39.098 > 55 66 K 0.66666666666667 0.00000000000000 0.50000000000000 39.098 > 55 67 K 0.00000000000000 0.33333333333333 0.50000000000000 39.098 > 55 68 K 0.33333333333333 0.33333333333333 0.50000000000000 39.098 > 55 69 K 0.66666666666667 0.33333333333333 0.50000000000000 39.098 > 55 70 K 0.00000000000000 0.66666666666667 0.50000000000000 39.098 > 55 71 K 0.33333333333333 0.66666666666667 0.50000000000000 39.098 > 55 72 K 0.66666666666667 0.66666666666667 0.50000000000000 39.098 > 55 73 K 0.22222222222222 0.11111111111111 0.83333333333333 39.098 > 55 74 K 0.55555555555556 0.11111111111111 0.83333333333333 39.098 > 55 75 K 0.88888888888889 0.11111111111111 0.83333333333333 39.098 > 55 76 K 0.22222222222222 0.44444444444444 0.83333333333333 39.098 > 55 77 K 0.55555555555556 0.44444444444444 0.83333333333333 39.098 > 55 78 K 0.88888888888889 0.44444444444444 0.83333333333333 39.098 > 55 79 K 0.22222222222222 0.77777777777778 0.83333333333333 39.098 > 55 80 K 0.55555555555556 0.77777777777778 0.83333333333333 39.098 > 55 81 K 0.88888888888889 0.77777777777778 0.83333333333333 39.098 > 55 82 Tl 0.00000000000000 0.00000000000000 0.00000000000000 204.383 > 82 83 Tl 0.33333333333333 0.00000000000000 0.00000000000000 204.383 > 82 84 Tl 0.66666666666667 0.00000000000000 0.00000000000000 204.383 > 82 85 Tl 0.00000000000000 0.33333333333333 0.00000000000000 204.383 > 82 86 Tl 0.33333333333333 0.33333333333333 0.00000000000000 204.383 > 82 87 Tl 0.66666666666667 0.33333333333333 0.00000000000000 204.383 > 82 88 Tl 0.00000000000000 0.66666666666667 0.00000000000000 204.383 > 82 89 Tl 0.33333333333333 0.66666666666667 0.00000000000000 204.383 > 82 90 Tl 0.66666666666667 0.66666666666667 0.00000000000000 204.383 > 82 91 Tl 0.22222222222222 0.11111111111111 0.33333333333333 204.383 > 82 92 Tl 0.55555555555556 0.11111111111111 0.33333333333333 204.383 > 82 93 Tl 0.88888888888889 0.11111111111111 0.33333333333333 204.383 > 82 94 Tl 0.22222222222222 0.44444444444444 0.33333333333333 204.383 > 82 95 Tl 0.55555555555556 0.44444444444444 0.33333333333333 204.383 > 82 96 Tl 0.88888888888889 0.44444444444444 0.33333333333333 204.383 > 82 97 Tl 0.22222222222222 0.77777777777778 0.33333333333333 204.383 > 82 98 Tl 0.55555555555556 0.77777777777778 0.33333333333333 204.383 > 82 99 Tl 0.88888888888889 0.77777777777778 0.33333333333333 204.383 > 82 100 Tl 0.11111111111111 0.22222222222222 0.66666666666667 204.383 > 82 101 Tl 0.44444444444444 0.22222222222222 0.66666666666667 204.383 > 82 102 Tl 0.77777777777778 0.22222222222222 0.66666666666667 204.383 > 82 103 Tl 0.11111111111111 0.55555555555556 0.66666666666667 204.383 > 82 104 Tl 0.44444444444444 0.55555555555556 0.66666666666667 204.383 > 82 105 Tl 0.77777777777778 0.55555555555556 0.66666666666667 204.383 > 82 106 Tl 0.11111111111111 0.88888888888889 0.66666666666667 204.383 > 82 107 Tl 0.44444444444444 0.88888888888889 0.66666666666667 204.383 > 82 108 Tl 0.77777777777778 0.88888888888889 0.66666666666667 204.383 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.6465277 0.0000000 0.0000000 0.0000000 5.6465277 0.0000000 0.0000000 0.0000000 3.8792086 -------------------------- Born effective charges -------------------------- 1 O -2.4266857 -0.0000000 0.0000000 0.0000000 -2.4266857 0.0000000 0.0000000 0.0000000 -1.6440473 2 O -2.4266857 -0.0000000 0.0000000 0.0000000 -2.4266857 0.0000000 0.0000000 0.0000000 -1.6440473 3 K 1.0365921 0.0000000 0.0000000 0.0000000 1.0365921 0.0000000 0.0000000 0.0000000 1.7133393 4 Tl 3.8167793 0.0000000 0.0000000 0.0000000 3.8167793 0.0000000 0.0000000 0.0000000 1.5747554 ---------------------------------------------------------------------------- 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 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 17 17 17 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 1.04, Number of G-points: 313, Lambda: 0.24 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/489) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 3.149 ( 0.000 0.000 0.000) 0.000 3.149 ( 0.000 0.000 0.000) 0.000 5.666 ( 0.000 0.000 0.000) 0.000 7.026 ( 0.000 0.000 0.000) 0.000 7.026 ( 0.000 0.000 0.000) 0.000 7.717 ( 0.000 0.000 0.000) 0.000 7.717 ( 0.000 0.000 0.000) 0.000 9.676 ( 0.000 0.000 0.000) 0.000 12.482 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/489) ======================= q-point: ( 0.06 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.321 ( 14.578 8.416 3.273) 17.148 0.363 ( 15.934 9.199 1.632) 18.471 0.921 ( 39.028 22.533 6.880) 45.588 3.151 ( -0.066 -0.038 2.177) 2.178 3.231 ( 7.454 4.304 -3.380) 9.247 5.631 ( -3.808 -2.199 2.383) 5.002 6.981 ( -3.276 -1.891 -1.651) 4.127 7.232 ( 16.688 9.635 3.484) 19.582 7.809 ( 7.681 4.435 -0.153) 8.871 9.649 ( 1.908 1.101 -11.843) 12.046 12.389 ( -7.517 -4.340 -0.370) 8.688 12.773 ( 1.179 0.681 -4.266) 4.479 ======================= Grid point 2 (3/489) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( 17.181 9.920 1.563) 19.901 0.736 ( 16.477 9.513 1.776) 19.108 1.800 ( 36.409 21.021 5.094) 42.349 3.160 ( -0.029 -0.017 3.882) 3.883 3.467 ( 14.221 8.211 -4.521) 17.032 5.520 ( -6.266 -3.618 0.735) 7.272 6.891 ( -3.560 -2.055 -2.674) 4.904 7.731 ( 24.247 13.999 3.429) 28.207 8.042 ( 12.507 7.221 -0.385) 14.447 9.675 ( 2.318 1.338 2.922) 3.962 12.162 ( -11.837 -6.834 -1.989) 13.813 12.772 ( 0.224 0.130 -6.667) 6.672 ======================= Grid point 3 (4/489) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( 18.325 10.580 0.053) 21.160 1.121 ( 16.895 9.754 1.749) 19.587 2.586 ( 31.489 18.180 1.630) 36.396 3.175 ( 0.104 0.060 4.840) 4.841 3.833 ( 18.804 10.856 -3.119) 21.936 5.360 ( -7.860 -4.538 1.409) 9.185 6.815 ( -2.228 -1.286 -2.977) 3.935 8.254 ( 19.365 11.181 -0.761) 22.374 8.362 ( 15.545 8.975 -0.454) 17.955 9.816 ( 8.802 5.082 13.514) 16.910 11.851 ( -14.513 -8.379 -4.039) 17.238 12.742 ( -0.665 -0.384 -8.022) 8.059 ======================= Grid point 4 (5/489) ======================= q-point: ( 0.24 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( 17.426 10.061 -0.946) 20.144 1.509 ( 16.654 9.615 1.342) 19.277 3.195 ( 0.181 0.105 5.058) 5.062 3.223 ( 24.678 14.248 -3.149) 28.669 4.281 ( 20.684 11.942 -0.374) 23.886 5.183 ( -8.269 -4.774 3.547) 10.185 6.776 ( -0.386 -0.223 -2.602) 2.640 8.555 ( 8.227 4.750 -3.619) 10.166 8.733 ( 17.047 9.842 -0.340) 19.687 10.177 ( 17.347 10.015 19.924) 28.252 11.488 ( -15.637 -9.028 -6.812) 19.298 12.696 ( -1.039 -0.600 -8.336) 8.422 ======================= Grid point 5 (6/489) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( 14.779 8.533 -1.467) 17.128 1.877 ( 15.315 8.842 0.555) 17.693 3.213 ( 0.016 0.009 4.741) 4.741 3.689 ( 18.122 10.463 -7.395) 22.194 4.741 ( 18.920 10.923 1.273) 21.884 5.018 ( -7.412 -4.279 6.704) 10.871 6.779 ( 1.242 0.717 -1.786) 2.290 8.659 ( 3.004 1.734 -2.164) 4.089 9.119 ( 16.640 9.607 -0.155) 19.215 10.634 ( 12.635 7.295 22.848) 27.109 11.137 ( -9.545 -5.511 -12.190) 16.434 12.646 ( -1.055 -0.609 -7.681) 7.777 ======================= Grid point 6 (7/489) ======================= q-point: ( 0.35 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.159 ( 10.805 6.238 -1.559) 12.574 2.197 ( 12.677 7.319 -0.340) 14.643 3.223 ( -0.417 -0.241 4.069) 4.098 4.015 ( 13.486 7.786 -10.184) 18.607 4.866 ( -6.789 -3.920 9.102) 12.013 5.148 ( 14.615 8.438 2.008) 16.995 6.815 ( 2.094 1.209 -0.913) 2.585 8.721 ( 3.361 1.940 0.227) 3.888 9.471 ( 14.045 8.109 -0.006) 16.218 10.566 ( -16.165 -9.333 4.183) 19.129 11.273 ( 16.292 9.406 2.378) 18.962 12.600 ( -1.023 -0.590 -6.333) 6.443 ======================= Grid point 7 (8/489) ======================= q-point: ( 0.41 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.348 ( 6.255 3.611 -1.216) 7.324 2.440 ( 8.678 5.010 -0.854) 10.056 3.220 ( -0.798 -0.461 2.979) 3.118 4.253 ( 10.883 6.284 -11.820) 17.253 4.740 ( -7.265 -4.194 11.589) 14.306 5.427 ( 9.234 5.331 1.041) 10.713 6.860 ( 1.884 1.088 -0.308) 2.197 8.824 ( 5.325 3.075 1.842) 6.419 9.740 ( 9.403 5.429 0.053) 10.857 10.195 ( -15.387 -8.884 -1.411) 17.823 11.622 ( 12.213 7.051 4.305) 14.745 12.558 ( -1.067 -0.616 -4.486) 4.653 ======================= Grid point 8 (9/489) ======================= q-point: ( 0.47 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.437 ( 1.982 1.144 -0.466) 2.335 2.575 ( 3.188 1.841 -0.487) 3.713 3.211 ( -0.478 -0.276 1.165) 1.289 4.443 ( 9.452 5.457 -12.556) 16.636 4.604 ( -8.258 -4.768 12.561) 15.770 5.570 ( 3.120 1.801 0.312) 3.616 6.891 ( 0.750 0.433 -0.051) 0.868 8.946 ( 3.697 2.134 1.350) 4.477 9.887 ( 3.309 1.910 0.028) 3.820 9.915 ( -7.312 -4.222 -1.347) 8.550 11.827 ( 4.538 2.620 1.856) 5.559 12.527 ( -0.612 -0.353 -1.772) 1.908 ======================= Grid point 18 (10/489) ======================= q-point: ( 0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.396 ( -0.000 15.547 15.922) 22.254 0.405 ( -0.000 17.674 9.676) 20.150 0.920 ( -0.000 44.006 7.162) 44.585 3.120 ( 0.000 -1.292 -4.242) 4.434 3.253 ( -0.000 9.654 1.123) 9.719 5.642 ( -0.000 -5.966 4.420) 7.425 6.996 ( -0.000 -3.252 1.470) 3.569 7.197 ( 0.000 17.947 -3.731) 18.331 7.812 ( 0.000 9.098 0.358) 9.105 9.550 ( 0.000 7.777 -29.899) 30.894 12.394 ( -0.000 -8.269 0.558) 8.288 12.796 ( 0.000 2.723 0.092) 2.725 ======================= Grid point 19 (11/489) ======================= q-point: ( 0.12 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.581 ( 5.700 15.665 11.556) 20.283 0.739 ( 7.903 18.961 5.660) 21.307 1.576 ( 22.186 35.507 7.035) 42.455 3.138 ( 4.161 -0.794 -2.773) 5.064 3.395 ( 3.836 13.206 -0.367) 13.757 5.557 ( -3.369 -6.300 0.893) 7.200 7.156 ( -9.208 15.091 -2.832) 17.903 7.256 ( 19.229 -1.154 1.337) 19.309 8.039 ( 9.038 16.036 0.392) 18.412 9.604 ( 6.825 1.816 -10.368) 12.545 12.240 ( -7.091 -10.107 -0.059) 12.347 12.789 ( -2.694 2.667 -2.848) 4.741 ======================= Grid point 20 (12/489) ======================= q-point: ( 0.18 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( 13.183 14.784 6.313) 20.789 1.086 ( 9.109 19.405 3.156) 21.667 2.319 ( 25.463 27.154 3.941) 37.433 3.202 ( 2.202 2.327 1.226) 3.430 3.658 ( 12.187 13.583 -1.870) 18.344 5.419 ( -5.215 -6.943 0.488) 8.697 7.054 ( -16.258 18.761 -3.793) 25.114 7.725 ( 34.201 -6.778 0.907) 34.878 8.355 ( 7.883 15.907 -0.180) 17.754 9.763 ( 9.829 5.832 3.612) 11.987 11.970 ( -11.705 -10.927 -1.836) 16.118 12.748 ( -2.748 1.328 -5.802) 6.556 ======================= Grid point 21 (13/489) ======================= q-point: ( 0.24 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( 15.127 13.587 2.498) 20.486 1.448 ( 10.007 19.147 2.370) 21.734 2.969 ( 22.763 19.597 -1.243) 30.062 3.259 ( -0.909 5.414 3.444) 6.481 4.053 ( 18.686 12.807 -0.157) 22.654 5.255 ( -6.039 -7.177 2.098) 9.612 6.973 ( -13.088 18.059 -3.508) 22.577 8.240 ( 31.002 -2.663 -1.822) 31.169 8.579 ( 6.057 5.823 -0.290) 8.407 10.097 ( 14.745 13.674 12.271) 23.558 11.626 ( -14.522 -11.311 -3.910) 18.818 12.689 ( -2.251 -0.048 -7.267) 7.608 ======================= Grid point 22 (14/489) ======================= q-point: ( 0.29 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( 14.348 11.016 -0.230) 18.090 1.811 ( 9.699 18.716 2.055) 21.179 3.300 ( -2.940 7.285 4.105) 8.864 3.464 ( 18.318 12.887 -6.300) 23.266 4.514 ( 20.212 11.271 1.941) 23.223 5.095 ( -5.787 -6.816 4.934) 10.213 6.942 ( -10.069 17.807 -2.783) 20.645 8.599 ( 6.491 2.646 -3.179) 7.697 8.801 ( 24.041 -1.636 1.025) 24.118 10.569 ( 16.717 15.859 15.758) 27.916 11.239 ( -15.538 -11.159 -6.853) 20.320 12.628 ( -1.381 -1.178 -7.399) 7.618 ======================= Grid point 23 (15/489) ======================= q-point: ( 0.35 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( 11.931 7.852 -1.453) 14.356 2.146 ( 7.992 17.166 1.118) 18.968 3.328 ( -4.421 8.325 4.043) 10.257 3.818 ( 14.537 8.066 -9.662) 19.228 4.916 ( 6.618 1.940 4.065) 8.005 4.988 ( 5.849 0.157 6.332) 8.622 6.957 ( -7.954 17.635 -1.854) 19.434 8.660 ( 3.295 -1.182 0.500) 3.536 9.225 ( 22.369 3.012 -1.342) 22.610 10.797 ( -17.925 -6.101 4.211) 19.397 11.083 ( 17.421 9.198 2.276) 19.831 12.574 ( -0.429 -2.121 -6.464) 6.817 ======================= Grid point 24 (16/489) ======================= q-point: ( 0.41 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.255 ( 8.429 4.592 -1.633) 9.737 2.417 ( 5.135 14.300 0.040) 15.194 3.339 ( -5.711 9.078 3.621) 11.320 4.072 ( 12.152 5.215 -11.665) 17.634 4.831 ( -5.218 -5.927 10.150) 12.860 5.289 ( 12.990 4.536 2.078) 13.915 6.998 ( -7.157 17.282 -1.088) 18.737 8.722 ( 5.993 -2.762 2.321) 6.995 9.581 ( 15.666 3.656 -2.507) 16.282 10.416 ( -18.198 -4.774 -2.018) 18.922 11.471 ( 14.782 6.965 5.941) 17.387 12.530 ( 0.300 -2.881 -4.763) 5.574 ======================= Grid point 25 (17/489) ======================= q-point: ( 0.47 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.391 ( 4.535 1.626 -1.238) 4.974 2.595 ( 1.338 10.557 -0.404) 10.649 3.336 ( -6.706 9.921 2.729) 12.282 4.272 ( 10.977 3.803 -12.714) 17.222 4.709 ( -6.180 -6.508 11.392) 14.502 5.496 ( 7.385 0.954 1.362) 7.570 7.037 ( -7.680 16.644 -0.672) 18.343 8.815 ( 7.985 -5.514 2.277) 9.967 9.789 ( 7.779 -1.253 -4.238) 8.947 10.123 ( -14.119 4.892 -0.173) 14.944 11.736 ( 9.097 1.715 3.158) 9.781 12.499 ( 1.001 -3.163 -2.247) 4.007 ======================= Grid point 26 (18/489) ======================= q-point: (-0.47 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.437 ( 0.790 -0.817 -0.523) 1.251 2.661 ( -3.700 6.764 0.033) 7.710 3.327 ( -6.903 10.662 1.146) 12.753 4.442 ( 10.047 2.750 -13.080) 16.722 4.564 ( -7.371 -6.952 11.655) 15.444 5.565 ( 1.216 -2.623 0.862) 3.017 7.054 ( -9.004 15.827 -0.500) 18.216 8.860 ( 4.867 -9.901 -0.340) 11.038 9.827 ( 3.869 -3.113 -1.541) 5.200 10.041 ( -7.707 11.913 -0.005) 14.189 11.820 ( 1.174 -3.686 -0.707) 3.932 12.496 ( 2.293 -2.630 1.157) 3.676 ======================= Grid point 27 (19/489) ======================= q-point: (-0.41 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.398 ( -3.197 -2.986 0.214) 4.380 2.600 ( -9.645 3.957 0.702) 10.449 3.320 ( -6.369 10.607 -0.704) 12.393 4.385 ( -8.425 -7.961 10.152) 15.409 4.596 ( 8.849 2.650 -11.429) 14.695 5.491 ( -5.084 -6.079 0.322) 7.931 7.039 ( -10.344 15.172 -0.295) 18.365 8.792 ( 0.533 -10.156 -2.385) 10.446 9.821 ( -3.920 -5.695 2.489) 7.348 10.113 ( 4.602 13.988 -2.173) 14.885 11.704 ( -7.042 -7.708 -3.446) 10.995 12.529 ( 3.145 -2.035 3.922) 5.423 ======================= Grid point 28 (20/489) ======================= q-point: (-0.35 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.267 ( -7.838 -5.033 0.771) 9.347 2.420 ( -15.156 2.228 0.771) 15.339 3.311 ( -5.942 9.719 -2.181) 11.598 4.175 ( -10.719 -8.424 9.368) 16.541 4.733 ( 8.548 2.311 -9.912) 13.291 5.277 ( -11.140 -9.122 -0.413) 14.404 7.004 ( -11.042 15.157 0.196) 18.754 8.702 ( 0.259 -7.022 -1.830) 7.261 9.601 ( -12.318 -10.175 1.763) 16.074 10.407 ( 13.227 12.765 -3.942) 18.800 11.427 ( -13.379 -9.703 -3.163) 16.828 12.580 ( 3.058 -1.569 5.522) 6.504 ======================= Grid point 29 (21/489) ======================= q-point: (-0.29 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.037 ( -12.692 -6.651 1.046) 14.367 2.142 ( -19.251 1.076 0.371) 19.285 3.292 ( -5.753 8.454 -3.270) 10.736 3.901 ( -14.923 -9.210 7.512) 19.077 4.869 ( 5.628 0.756 -5.638) 8.002 4.945 ( -12.954 -9.704 -2.413) 16.365 6.971 ( -10.857 16.126 1.019) 19.467 8.657 ( 0.927 -3.996 0.003) 4.102 9.237 ( -14.816 -17.013 1.118) 22.588 10.680 ( 2.222 8.780 -17.317) 19.542 11.123 ( -5.641 -6.643 7.956) 11.801 12.637 ( 2.744 -0.883 6.522) 7.131 ======================= Grid point 30 (22/489) ======================= q-point: (-0.24 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( -17.268 -7.470 0.710) 18.828 1.802 ( -21.212 0.351 0.296) 21.217 3.261 ( -5.353 6.922 -4.005) 9.623 3.517 ( -21.774 -10.270 4.518) 24.494 4.505 ( -19.452 -11.929 0.019) 22.819 5.049 ( 9.912 2.548 -4.399) 11.140 6.965 ( -9.984 18.072 1.953) 20.739 8.628 ( -3.366 -3.062 2.874) 5.382 8.793 ( -11.928 -23.649 -0.754) 26.497 10.402 ( -21.864 -1.667 -18.370) 28.605 11.309 ( 15.957 4.793 7.457) 18.254 12.697 ( 2.329 -0.098 6.881) 7.265 ======================= Grid point 31 (23/489) ======================= q-point: (-0.18 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( -20.267 -7.388 0.006) 21.572 1.439 ( -21.779 0.198 0.596) 21.788 2.978 ( -30.348 -10.801 0.844) 32.224 3.222 ( -4.438 4.916 -4.081) 7.780 4.063 ( -19.337 -10.107 1.747) 21.889 5.235 ( 10.001 2.380 -1.948) 10.463 7.003 ( -8.878 20.786 2.681) 22.761 8.250 ( -13.847 -29.686 0.233) 32.757 8.584 ( -7.484 -2.409 0.845) 7.907 9.973 ( -18.822 -0.457 -13.064) 22.916 11.662 ( 16.807 5.010 3.641) 17.912 12.755 ( 1.627 0.479 6.217) 6.444 ======================= Grid point 32 (24/489) ======================= q-point: (-0.12 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( -20.667 -6.072 -0.314) 21.543 1.073 ( -21.888 0.672 0.576) 21.906 2.292 ( -38.059 -8.698 -1.402) 39.065 3.183 ( -2.992 2.242 -2.859) 4.706 3.679 ( -17.046 -5.646 2.349) 18.110 5.413 ( 8.824 1.512 -0.573) 8.971 7.088 ( -8.183 23.960 3.048) 25.501 7.708 ( -11.928 -33.537 -2.500) 35.683 8.357 ( -18.053 0.810 0.276) 18.074 9.718 ( -7.415 0.177 -5.535) 9.255 11.986 ( 15.187 3.152 1.492) 15.582 12.797 ( 0.518 0.570 4.100) 4.172 ======================= Grid point 33 (25/489) ======================= q-point: (-0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.522 ( -18.685 0.000 0.000) 18.685 0.711 ( -21.375 0.000 0.000) 21.375 1.541 ( -43.258 0.000 0.000) 43.258 3.152 ( -1.107 0.000 0.000) 1.107 3.397 ( -13.212 0.000 0.000) 13.212 5.552 ( 6.468 -0.000 -0.000) 6.468 7.172 ( -8.715 0.000 0.000) 8.715 7.248 ( -8.690 0.000 0.000) 8.690 8.037 ( -18.415 0.000 0.000) 18.415 9.656 ( -0.341 0.000 0.000) 0.341 12.240 ( 12.219 -0.000 -0.000) 12.219 12.804 ( -0.867 0.000 0.000) 0.867 ======================= Grid point 36 (26/489) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( -0.000 17.766 12.807) 21.901 0.822 ( -0.000 18.400 10.067) 20.975 1.809 ( -0.000 41.670 6.137) 42.119 3.058 ( 0.000 -1.089 -6.385) 6.477 3.529 ( -0.000 16.958 1.734) 17.047 5.514 ( -0.000 -8.322 0.127) 8.323 6.930 ( -0.000 -4.059 1.170) 4.224 7.639 ( 0.000 28.668 -5.641) 29.218 8.058 ( -0.000 14.936 1.235) 14.987 9.500 ( 0.000 1.640 -13.439) 13.539 12.190 ( -0.000 -12.578 1.064) 12.623 12.845 ( 0.000 1.998 0.067) 1.999 ======================= Grid point 37 (27/489) ======================= q-point: ( 0.18 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( 1.920 18.950 10.654) 21.824 1.150 ( 7.904 18.709 7.013) 21.487 2.326 ( 11.464 35.857 4.471) 37.909 3.105 ( 7.689 0.387 -4.762) 9.053 3.720 ( 1.359 18.811 1.656) 18.933 5.405 ( -2.428 -9.056 -0.363) 9.383 7.124 ( 25.155 -5.528 0.551) 25.761 7.636 ( -22.899 28.091 -4.736) 36.550 8.365 ( 9.293 15.632 0.524) 18.193 9.597 ( 12.738 3.413 -6.378) 14.649 12.008 ( -6.435 -13.328 0.867) 14.825 12.820 ( -4.254 1.701 -1.727) 4.896 ======================= Grid point 38 (28/489) ======================= q-point: ( 0.24 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( 7.752 17.341 5.954) 19.906 1.504 ( 8.981 20.236 4.754) 22.644 2.869 ( 14.310 26.476 -0.067) 30.096 3.261 ( 7.961 3.797 -1.045) 8.882 3.977 ( 7.268 18.441 2.255) 19.949 5.261 ( -3.678 -9.206 0.803) 9.946 7.499 ( -18.343 23.984 -3.609) 30.409 7.606 ( 31.428 -1.144 -1.768) 31.498 8.573 ( 2.529 6.573 0.481) 7.059 9.947 ( 19.840 10.715 0.931) 22.568 11.728 ( -11.328 -12.660 0.432) 16.994 12.740 ( -5.195 0.874 -4.147) 6.704 ======================= Grid point 39 (29/489) ======================= q-point: ( 0.29 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.621 ( 10.158 13.896 1.735) 17.300 1.877 ( 8.677 21.551 3.762) 23.535 3.313 ( 13.617 17.074 -5.250) 22.462 3.410 ( 2.325 7.935 1.259) 8.364 4.344 ( 14.235 15.598 3.579) 21.418 5.113 ( -3.889 -8.760 3.277) 10.130 7.414 ( -18.584 27.309 -3.724) 33.242 8.175 ( 36.037 -1.936 -3.058) 36.219 8.624 ( 0.440 -0.089 1.805) 1.860 10.427 ( 20.656 12.684 3.300) 24.463 11.391 ( -14.833 -10.385 1.196) 18.147 12.643 ( -4.275 -0.578 -5.541) 7.023 ======================= Grid point 40 (30/489) ======================= q-point: ( 0.35 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( 10.228 10.096 -0.583) 14.384 2.231 ( 6.563 21.309 2.576) 22.445 3.503 ( -2.038 10.348 1.139) 10.608 3.645 ( 12.023 10.561 -7.724) 17.770 4.751 ( 15.756 10.917 3.499) 19.486 4.984 ( -3.247 -7.925 6.291) 10.627 7.381 ( -15.403 27.006 -2.874) 31.223 8.617 ( 0.749 -0.362 1.425) 1.650 8.752 ( 32.356 -1.479 -2.895) 32.519 10.844 ( 13.011 0.572 -8.355) 15.473 11.082 ( -11.005 2.205 13.434) 17.505 12.552 ( -2.527 -2.318 -5.698) 6.651 ======================= Grid point 41 (31/489) ======================= q-point: ( 0.41 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( 8.549 6.287 -1.506) 10.718 2.523 ( 3.262 19.348 1.274) 19.662 3.558 ( -4.610 11.867 1.413) 12.809 3.891 ( 10.580 6.592 -9.689) 15.788 4.870 ( -3.443 -6.989 8.551) 11.568 5.107 ( 14.062 5.221 2.682) 15.238 7.396 ( -13.175 26.653 -2.014) 29.799 8.625 ( 2.126 -3.296 3.503) 5.259 9.238 ( 25.394 0.524 -5.832) 26.061 10.651 ( -13.536 -4.315 -5.111) 15.098 11.328 ( 12.376 8.077 10.080) 17.889 12.477 ( -0.554 -4.090 -4.760) 6.300 ======================= Grid point 42 (32/489) ======================= q-point: ( 0.47 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.317 ( 5.790 2.775 -1.594) 6.615 2.724 ( -0.428 16.130 0.364) 16.140 3.592 ( -6.629 13.468 1.807) 15.119 4.083 ( 10.013 4.177 -11.366) 15.713 4.764 ( -4.382 -7.419 9.959) 13.169 5.353 ( 10.460 0.648 1.780) 10.630 7.435 ( -12.683 26.596 -1.484) 29.503 8.647 ( 4.549 -6.561 3.217) 8.608 9.558 ( 15.183 -2.498 -7.365) 17.059 10.420 ( -12.623 6.602 -0.607) 14.258 11.595 ( 10.030 1.547 5.408) 11.500 12.425 ( 1.398 -5.396 -2.749) 6.215 ======================= Grid point 43 (33/489) ======================= q-point: ( 0.53 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.398 ( 2.714 0.008 -1.202) 2.968 2.827 ( -4.227 12.654 0.166) 13.343 3.607 ( -8.627 14.796 1.750) 17.217 4.248 ( 10.045 2.362 -12.581) 16.271 4.636 ( -5.630 -7.758 10.273) 14.051 5.482 ( 5.485 -3.332 1.500) 6.591 7.467 ( -13.861 26.427 -1.233) 29.867 8.658 ( 5.528 -10.554 0.995) 11.955 9.680 ( 7.542 -4.618 -5.112) 10.215 10.342 ( -10.340 14.698 0.819) 17.990 11.721 ( 5.066 -4.516 0.887) 6.844 12.407 ( 3.479 -5.513 0.348) 6.528 ======================= Grid point 44 (34/489) ======================= q-point: (-0.41 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.404 ( -0.603 -1.991 -0.637) 2.176 2.829 ( -8.666 9.858 0.391) 13.131 3.600 ( -9.917 15.021 1.072) 18.031 4.371 ( 6.033 -2.392 -9.951) 11.881 4.507 ( -2.928 -4.464 7.131) 8.908 5.481 ( -0.526 -6.481 1.391) 6.649 7.470 ( -15.411 25.572 -0.946) 29.872 8.631 ( 4.098 -10.932 -1.714) 11.800 9.735 ( 5.473 -6.098 0.206) 8.196 10.322 ( -9.379 15.763 -1.135) 18.377 11.684 ( -1.329 -8.511 -2.586) 8.994 12.437 ( 5.063 -4.735 3.121) 7.602 ======================= Grid point 45 (35/489) ======================= q-point: (-0.35 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.332 ( -4.658 -3.488 -0.129) 5.820 2.725 ( -13.931 7.772 0.464) 15.959 3.573 ( -10.192 14.152 0.151) 17.440 4.264 ( -6.647 -8.823 4.622) 11.974 4.574 ( 8.126 1.262 -7.046) 10.829 5.346 ( -6.978 -8.678 1.043) 11.184 7.445 ( -16.014 24.799 -0.376) 29.523 8.587 ( 2.701 -7.552 -2.795) 8.493 9.666 ( -5.616 -12.582 3.428) 14.198 10.388 ( 1.904 15.098 -3.919) 15.714 11.504 ( -7.860 -9.662 -3.307) 12.886 12.498 ( 5.398 -3.688 4.408) 7.884 ======================= Grid point 46 (36/489) ======================= q-point: (-0.29 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.173 ( -9.417 -4.423 0.246) 10.407 2.512 ( -18.978 5.876 0.257) 19.869 3.531 ( -10.057 12.403 -0.897) 15.994 4.052 ( -10.270 -8.494 5.248) 14.324 4.713 ( 9.317 1.108 -6.386) 11.350 5.084 ( -13.179 -9.808 0.382) 16.433 7.420 ( -15.633 25.469 0.509) 29.889 8.566 ( 2.832 -4.511 -2.543) 5.902 9.327 ( -15.455 -19.708 3.088) 25.235 10.629 ( 9.802 13.363 -7.994) 18.399 11.224 ( -12.238 -9.672 0.473) 15.606 12.573 ( 5.053 -2.356 4.744) 7.320 ======================= Grid point 47 (37/489) ======================= q-point: (-0.24 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( -14.293 -4.423 0.390) 14.967 2.206 ( -22.421 3.917 0.102) 22.761 3.467 ( -9.627 9.460 -1.853) 13.624 3.770 ( -15.926 -7.214 3.963) 17.928 4.718 ( -17.870 -9.221 0.183) 20.110 4.877 ( 10.373 0.920 -4.045) 11.171 7.424 ( -14.783 27.583 1.460) 31.329 8.572 ( 3.334 -4.965 -2.599) 6.521 8.815 ( -18.428 -24.894 2.707) 31.090 10.705 ( -16.058 5.461 -15.799) 23.180 11.103 ( 11.709 -2.244 9.105) 15.002 12.652 ( 4.440 -1.014 4.332) 6.286 ======================= Grid point 48 (38/489) ======================= q-point: (-0.18 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( -18.852 -3.087 0.193) 19.104 1.841 ( -23.416 1.873 0.176) 23.491 3.374 ( -15.559 0.961 -1.291) 15.642 3.383 ( -17.233 -0.645 1.052) 17.277 4.315 ( -19.649 -6.138 0.463) 20.590 5.063 ( 11.152 0.813 -1.554) 11.289 7.471 ( -13.484 29.839 2.103) 32.812 8.195 ( -16.819 -32.519 -1.257) 36.632 8.611 ( 0.422 -0.943 0.496) 1.146 10.322 ( -23.805 0.787 -6.795) 24.768 11.407 ( 17.998 1.745 2.437) 18.246 12.727 ( 3.531 -0.109 2.870) 4.552 ======================= Grid point 49 (39/489) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( -21.854 0.000 0.000) 21.854 1.457 ( -22.617 0.000 0.000) 22.617 2.864 ( -33.030 0.000 0.000) 33.030 3.273 ( -6.234 0.000 0.000) 6.234 3.957 ( -18.669 0.000 0.000) 18.669 5.252 ( 10.607 -0.000 -0.000) 10.607 7.537 ( -9.295 0.000 0.000) 9.295 7.622 ( -17.473 0.000 0.000) 17.473 8.568 ( -6.372 0.000 0.000) 6.372 9.937 ( -18.978 0.000 0.000) 18.978 11.724 ( 17.377 -0.000 -0.000) 17.377 12.782 ( 2.205 -0.000 -0.000) 2.205 ======================= Grid point 54 (40/489) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( -0.000 18.220 9.281) 20.447 1.255 ( -0.000 18.927 10.045) 21.428 2.616 ( -0.000 36.658 3.370) 36.813 3.014 ( 0.000 0.858 -5.556) 5.622 3.919 ( -0.000 20.935 2.107) 21.041 5.327 ( -0.000 -10.193 -0.635) 10.213 6.858 ( -0.000 -3.452 -0.199) 3.458 8.186 ( 0.000 28.740 -5.201) 29.206 8.396 ( -0.000 18.086 1.683) 18.164 9.459 ( 0.000 1.965 -8.626) 8.847 11.928 ( -0.000 -14.502 1.649) 14.595 12.871 ( 0.000 0.741 -0.399) 0.841 ======================= Grid point 55 (41/489) ======================= q-point: ( 0.24 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( 0.543 18.144 7.602) 19.680 1.561 ( 7.973 18.345 7.194) 21.257 2.995 ( 4.248 28.568 -0.939) 28.897 3.113 ( 10.118 4.518 -2.404) 11.339 4.137 ( 0.389 21.801 3.037) 22.015 5.210 ( -1.572 -10.299 0.367) 10.425 7.028 ( 22.711 -3.928 -1.041) 23.072 8.183 ( -22.186 29.741 -4.551) 37.382 8.620 ( 1.114 9.014 1.365) 9.185 9.671 ( 20.572 8.195 -6.113) 22.972 11.746 ( -5.397 -13.636 2.247) 14.836 12.830 ( -4.703 0.414 -1.520) 4.960 ======================= Grid point 56 (42/489) ======================= q-point: ( 0.29 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( 3.895 15.453 3.465) 16.309 1.927 ( 10.597 19.069 5.253) 22.439 3.297 ( 9.403 13.854 -3.671) 17.142 3.372 ( 7.726 12.400 -2.389) 14.804 4.394 ( 3.697 21.092 4.881) 21.963 5.082 ( -2.252 -9.638 2.575) 10.227 7.481 ( 33.433 -4.025 -1.601) 33.712 8.079 ( -21.443 30.089 -5.690) 37.383 8.658 ( -1.850 2.526 2.351) 3.915 10.147 ( 23.896 9.261 -4.423) 26.007 11.509 ( -9.277 -10.073 4.210) 14.326 12.724 ( -6.665 -0.101 -3.074) 7.340 ======================= Grid point 57 (43/489) ======================= q-point: ( 0.35 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( 6.140 11.841 0.479) 13.347 2.309 ( 9.827 19.367 3.559) 22.007 3.552 ( 3.421 10.791 -8.539) 14.180 3.583 ( 9.784 9.972 0.050) 13.970 4.696 ( 7.297 16.730 5.125) 18.958 4.967 ( -2.233 -8.533 5.221) 10.250 7.883 ( -3.835 15.661 -0.194) 16.125 8.169 ( 22.547 8.487 -7.774) 25.315 8.653 ( -2.666 3.265 2.586) 4.945 10.560 ( 18.299 1.539 -7.303) 19.763 11.301 ( -9.001 -1.411 9.718) 13.321 12.593 ( -6.300 -1.384 -4.063) 7.623 ======================= Grid point 58 (44/489) ======================= q-point: ( 0.41 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( 6.560 7.939 -1.087) 10.355 2.646 ( 6.275 18.843 2.144) 19.976 3.646 ( 2.436 5.749 -8.405) 10.470 3.835 ( 6.462 12.169 -0.862) 13.805 4.871 ( -2.155 -7.719 7.457) 10.946 4.979 ( 8.718 9.579 3.361) 13.382 7.883 ( -13.232 22.573 -1.096) 26.188 8.616 ( 4.153 -0.281 0.455) 4.187 8.733 ( 25.105 3.607 -5.640) 25.983 10.683 ( 2.284 -4.679 -8.443) 9.919 11.316 ( 2.492 6.891 13.038) 14.956 12.463 ( -4.460 -3.484 -4.216) 7.057 ======================= Grid point 59 (45/489) ======================= q-point: ( 0.47 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.249 ( 5.421 4.161 -1.640) 7.027 2.894 ( 1.227 17.249 1.091) 17.327 3.717 ( 3.310 4.484 -6.944) 8.904 4.028 ( 2.420 12.652 -2.509) 13.123 4.782 ( -2.893 -7.443 8.756) 11.850 5.195 ( 8.891 2.120 1.626) 9.284 7.901 ( -10.711 23.257 -1.020) 25.625 8.590 ( -2.819 -1.597 1.133) 3.432 9.183 ( 23.532 -0.254 -7.592) 24.728 10.624 ( -4.285 4.541 -2.875) 6.874 11.492 ( 6.380 2.321 8.773) 11.094 12.352 ( -1.489 -6.044 -3.329) 7.059 ======================= Grid point 60 (46/489) ======================= q-point: ( 0.53 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( 3.474 1.112 -1.518) 3.951 3.034 ( -3.402 14.690 0.571) 15.089 3.802 ( 2.243 6.063 -3.927) 7.564 4.154 ( 0.806 10.750 -5.983) 12.329 4.676 ( -4.405 -7.303 8.878) 12.311 5.334 ( 7.701 -3.663 1.191) 8.611 7.959 ( -10.987 25.837 -1.653) 28.124 8.514 ( -0.356 -7.903 0.470) 7.925 9.458 ( 12.592 -1.092 -5.943) 13.967 10.632 ( -5.646 13.728 0.179) 14.844 11.597 ( 4.268 -4.219 3.720) 7.060 12.284 ( 2.620 -7.760 -0.896) 8.240 ======================= Grid point 61 (47/489) ======================= q-point: (-0.41 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.381 ( 1.143 -0.879 -1.060) 1.789 3.077 ( -7.114 12.186 0.512) 14.120 3.868 ( -2.776 8.740 -0.331) 9.176 4.240 ( 2.584 6.072 -9.983) 11.967 4.550 ( -5.083 -6.583 8.158) 11.651 5.388 ( 4.156 -6.970 1.595) 8.271 7.993 ( -14.744 25.572 -2.406) 29.616 8.461 ( 4.119 -7.965 0.068) 8.967 9.578 ( 6.000 -2.988 -2.422) 7.127 10.654 ( -10.035 15.767 0.477) 18.695 11.582 ( 1.602 -9.051 -1.217) 9.272 12.288 ( 6.243 -7.322 2.053) 9.839 ======================= Grid point 62 (48/489) ======================= q-point: (-0.35 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.359 ( -1.881 -1.973 -0.572) 2.785 3.032 ( -11.342 9.821 0.398) 15.008 3.874 ( -7.482 10.145 1.992) 12.762 4.257 ( -1.722 -2.025 -7.265) 7.735 4.476 ( 1.521 -2.035 2.710) 3.715 5.343 ( -1.548 -7.988 1.783) 8.329 7.950 ( -14.500 19.444 -1.696) 24.315 8.494 ( 2.479 1.793 -1.181) 3.280 9.578 ( 0.882 -10.608 1.086) 10.700 10.608 ( -10.450 13.373 -1.095) 17.007 11.481 ( -1.810 -9.434 -3.083) 10.089 12.355 ( 7.601 -5.422 3.262) 9.890 ======================= Grid point 63 (49/489) ======================= q-point: (-0.29 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( -5.894 -2.324 -0.199) 6.339 2.880 ( -16.319 6.764 0.114) 17.666 3.832 ( -10.176 10.439 2.113) 14.730 4.118 ( -6.349 -6.600 -1.019) 9.215 4.558 ( 7.438 0.390 -2.970) 8.019 5.189 ( -8.328 -7.229 1.269) 11.101 7.902 ( -11.491 17.487 -0.252) 20.926 8.541 ( -2.323 8.002 -2.475) 8.692 9.357 ( -9.891 -20.909 2.891) 23.310 10.628 ( 0.801 10.840 -3.185) 11.327 11.311 ( -7.607 -7.577 -1.740) 10.876 12.452 ( 7.361 -3.097 2.999) 8.531 ======================= Grid point 64 (50/489) ======================= q-point: (-0.24 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( -10.488 -1.762 0.020) 10.635 2.612 ( -20.627 3.205 -0.020) 20.875 3.737 ( -12.071 7.413 0.335) 14.169 3.929 ( -8.935 -5.288 0.943) 10.425 4.699 ( 9.579 0.319 -2.157) 9.824 4.933 ( -14.761 -4.769 0.437) 15.518 7.904 ( -9.374 18.081 0.915) 20.387 8.547 ( -5.376 7.337 -3.638) 9.796 8.891 ( -16.909 -24.643 3.164) 30.053 10.815 ( 9.642 9.468 -6.623) 15.049 11.061 ( -12.685 -7.626 3.527) 15.215 12.558 ( 6.448 -1.132 1.914) 6.821 ======================= Grid point 65 (51/489) ======================= q-point: (-0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( -14.985 0.000 0.000) 14.985 2.252 ( -23.173 0.000 0.000) 23.173 3.572 ( -11.155 0.000 0.000) 11.155 3.701 ( -15.732 0.000 0.000) 15.732 4.617 ( -18.860 0.000 0.000) 18.860 4.873 ( 10.970 -0.000 -0.000) 10.970 7.882 ( -9.336 0.000 0.000) 9.336 8.305 ( -21.093 0.000 0.000) 21.093 8.606 ( -1.727 0.000 0.000) 1.727 10.708 ( -21.404 0.000 0.000) 21.404 11.114 ( 17.159 -0.000 -0.000) 17.159 12.656 ( 5.184 -0.000 -0.000) 5.184 ======================= Grid point 72 (52/489) ======================= q-point: ( 0.24 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( -0.000 16.227 5.746) 17.214 1.683 ( -0.000 18.192 8.614) 20.128 3.032 ( 0.000 3.665 -2.093) 4.220 3.260 ( 0.000 27.682 -2.493) 27.794 4.367 ( -0.000 22.787 3.283) 23.022 5.124 ( -0.000 -10.144 1.307) 10.228 6.796 ( 0.000 -2.207 -1.644) 2.752 8.628 ( 0.000 16.847 -1.403) 16.906 8.775 ( 0.000 19.031 1.374) 19.080 9.493 ( 0.000 8.038 -10.215) 12.998 11.667 ( -0.000 -12.653 2.885) 12.978 12.870 ( 0.000 -0.365 -0.932) 1.001 ======================= Grid point 73 (53/489) ======================= q-point: ( 0.29 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( -0.425 14.635 3.693) 15.100 1.954 ( 7.846 16.894 6.141) 19.614 3.167 ( 10.307 5.302 0.048) 11.591 3.492 ( 0.437 20.354 -6.781) 21.458 4.604 ( 0.089 22.795 4.689) 23.273 5.026 ( -1.087 -9.003 3.379) 9.678 6.958 ( 21.091 -2.109 -2.252) 21.315 8.714 ( -21.601 23.277 -3.539) 31.952 8.741 ( -1.968 5.715 2.455) 6.524 9.806 ( 22.641 8.911 -8.821) 25.881 11.536 ( -3.670 -8.935 4.283) 10.566 12.818 ( -4.783 -0.593 -1.546) 5.062 ======================= Grid point 74 (54/489) ======================= q-point: ( 0.35 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( 1.555 11.936 1.025) 12.081 2.303 ( 11.681 15.820 3.924) 20.053 3.447 ( 14.301 6.655 1.152) 15.815 3.621 ( -0.799 12.455 -10.355) 16.217 4.842 ( 0.534 20.409 5.492) 21.142 4.936 ( -1.656 -7.504 5.542) 9.474 7.406 ( 33.218 -2.273 -2.535) 33.392 8.501 ( -17.436 10.269 -1.057) 20.263 8.815 ( -5.826 17.499 -1.903) 18.541 10.217 ( 20.700 1.830 -7.550) 22.110 11.421 ( -4.563 -2.361 6.974) 8.662 12.697 ( -7.557 -0.863 -2.335) 7.956 ======================= Grid point 75 (55/489) ======================= q-point: ( 0.41 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( 3.312 8.649 -0.731) 9.290 2.666 ( 11.553 14.844 2.349) 18.956 3.648 ( -0.419 5.791 -11.240) 12.650 3.776 ( 13.015 8.851 1.271) 15.791 4.855 ( -2.094 -6.429 6.793) 9.584 5.042 ( 0.303 14.660 4.349) 15.295 7.949 ( 29.620 -2.243 -0.246) 29.705 8.366 ( -5.269 7.884 -4.012) 10.296 8.862 ( -8.157 17.855 -3.042) 19.864 10.479 ( 13.400 -2.301 -6.243) 14.961 11.400 ( -1.315 3.057 9.335) 9.911 12.538 ( -8.326 -1.849 -2.866) 8.997 ======================= Grid point 76 (56/489) ======================= q-point: ( 0.47 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.211 ( 3.698 5.150 -1.530) 6.522 2.984 ( 7.823 14.162 1.418) 16.241 3.653 ( 1.560 1.885 -10.630) 10.908 4.075 ( 9.222 11.276 1.337) 14.628 4.778 ( -2.226 -6.592 7.548) 10.266 5.161 ( 0.092 6.953 1.901) 7.208 8.159 ( -1.636 4.485 4.595) 6.626 8.559 ( 15.582 -1.826 -11.481) 19.441 8.922 ( 1.180 16.883 -1.509) 16.992 10.628 ( 6.630 3.436 -3.495) 8.245 11.471 ( 2.389 1.360 9.231) 9.632 12.365 ( -7.397 -3.998 -3.028) 8.937 ======================= Grid point 77 (57/489) ======================= q-point: ( 0.53 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.299 ( 3.033 2.122 -1.569) 4.021 3.202 ( 1.222 13.194 0.941) 13.284 3.694 ( 6.404 -0.299 -8.759) 10.854 4.296 ( 1.374 13.680 -0.002) 13.749 4.699 ( -2.520 -6.060 7.911) 10.279 5.206 ( 2.230 -1.615 0.170) 2.758 8.209 ( 0.570 6.884 3.443) 7.718 8.548 ( -5.945 -1.492 -8.573) 10.539 9.240 ( 14.105 11.120 -2.646) 18.155 10.774 ( 2.995 11.314 -1.402) 11.787 11.532 ( 1.930 -3.354 7.102) 8.088 12.201 ( -3.722 -7.267 -2.338) 8.493 ======================= Grid point 78 (58/489) ======================= q-point: ( 0.59 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.347 ( 1.840 0.121 -1.156) 2.176 3.295 ( -4.174 11.070 0.715) 11.853 3.800 ( 8.739 -0.755 -6.305) 10.803 4.378 ( -4.933 10.653 -1.439) 11.828 4.620 ( -5.611 -1.429 6.039) 8.367 5.226 ( 5.748 -7.679 0.625) 9.612 8.339 ( 5.459 2.819 3.218) 6.936 8.375 ( -9.929 4.767 -6.644) 12.863 9.496 ( 5.043 7.661 -2.146) 9.420 10.918 ( -1.927 14.346 0.077) 14.475 11.493 ( -1.889 -7.495 1.935) 7.968 12.113 ( 4.057 -9.135 0.289) 10.000 ======================= Grid point 79 (59/489) ======================= q-point: (-0.35 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.357 ( 0.084 -0.796 -0.639) 1.024 3.292 ( -7.906 8.594 0.554) 11.690 3.907 ( 6.181 -1.423 -2.660) 6.878 4.366 ( -5.422 7.425 -3.483) 9.831 4.506 ( -7.873 -0.443 3.636) 8.683 5.247 ( 4.528 -7.575 1.520) 8.956 8.197 ( -6.922 -2.048 -2.955) 7.800 8.548 ( 4.561 14.277 0.792) 15.009 9.535 ( -4.242 -0.421 -0.670) 4.315 10.939 ( -11.992 11.829 1.298) 16.895 11.381 ( 0.423 -8.996 -2.691) 9.399 12.159 ( 9.213 -6.512 2.044) 11.466 ======================= Grid point 80 (60/489) ======================= q-point: (-0.29 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.327 ( -2.650 -0.820 -0.233) 2.784 3.186 ( -12.610 4.667 0.164) 13.447 3.964 ( 2.226 -0.680 1.299) 2.666 4.253 ( -13.423 3.608 -3.537) 14.343 4.460 ( 3.140 -0.689 0.788) 3.310 5.222 ( -1.523 -4.202 1.050) 4.592 8.088 ( -4.082 0.365 -1.080) 4.239 8.756 ( 0.393 17.748 -0.422) 17.758 9.335 ( -11.389 -13.168 0.853) 17.431 10.801 ( -11.458 5.769 -0.173) 12.829 11.316 ( -0.794 -4.583 -1.700) 4.952 12.285 ( 9.607 -2.622 1.451) 10.063 ======================= Grid point 81 (61/489) ======================= q-point: (-0.24 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.246 ( -6.378 0.000 0.000) 6.378 2.954 ( -17.214 0.000 0.000) 17.214 3.978 ( -1.536 0.000 0.000) 1.536 4.015 ( -14.506 0.000 0.000) 14.506 4.552 ( 7.240 -0.000 -0.000) 7.240 5.115 ( -8.811 0.000 0.000) 8.811 8.047 ( -1.879 0.000 0.000) 1.879 8.855 ( -6.858 0.000 0.000) 6.858 8.948 ( -17.081 0.000 0.000) 17.081 10.735 ( 1.091 -0.000 -0.000) 1.091 11.221 ( -7.783 0.000 0.000) 7.783 12.429 ( 8.232 -0.000 -0.000) 8.232 ======================= Grid point 90 (62/489) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.946 ( -0.000 12.456 2.247) 12.657 2.061 ( -0.000 15.268 5.242) 16.143 3.133 ( -0.000 6.230 2.758) 6.813 3.646 ( 0.000 15.601 -10.141) 18.607 4.843 ( -0.000 21.853 5.072) 22.434 4.972 ( -0.000 -6.357 5.111) 8.157 6.753 ( 0.000 -0.767 -2.549) 2.661 8.823 ( -0.000 3.455 3.714) 5.073 9.147 ( 0.000 17.838 0.649) 17.850 9.608 ( 0.000 9.683 -14.599) 17.518 11.506 ( -0.000 -5.337 4.416) 6.927 12.848 ( 0.000 -1.087 -1.249) 1.655 ======================= Grid point 91 (63/489) ======================= q-point: ( 0.35 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( -0.795 10.253 0.447) 10.293 2.284 ( 7.773 13.191 3.209) 15.643 3.301 ( 9.960 6.730 3.896) 12.636 3.720 ( -1.539 9.538 -12.365) 15.692 4.916 ( -1.047 -5.029 6.879) 8.586 5.073 ( -1.060 20.607 5.125) 21.261 6.916 ( 19.998 -0.541 -2.758) 20.195 8.767 ( -9.906 -1.095 5.074) 11.183 9.165 ( -10.830 21.217 -6.020) 24.570 9.866 ( 19.249 2.912 -8.838) 21.380 11.476 ( -1.723 -0.238 5.078) 5.368 12.791 ( -4.714 -1.137 -1.460) 5.064 ======================= Grid point 92 (64/489) ======================= q-point: ( 0.41 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( 0.411 7.868 -0.906) 7.931 2.588 ( 12.391 11.269 1.838) 16.850 3.586 ( 13.310 6.236 1.144) 14.743 3.718 ( -1.348 5.019 -10.212) 11.459 4.865 ( -2.400 -3.993 6.998) 8.407 5.242 ( -2.915 16.506 4.400) 17.330 7.357 ( 31.956 -0.981 -2.851) 32.098 8.571 ( -11.882 -0.303 3.546) 12.403 9.184 ( -8.565 18.605 -8.199) 22.061 10.176 ( 18.109 -0.163 -3.931) 18.532 11.478 ( -1.851 2.829 5.639) 6.575 12.664 ( -8.087 -1.136 -1.679) 8.337 ======================= Grid point 93 (65/489) ======================= q-point: ( 0.47 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.213 ( 1.540 5.167 -1.526) 5.604 2.918 ( 13.153 9.732 1.095) 16.398 3.649 ( -2.002 1.938 -10.776) 11.131 3.941 ( 15.630 6.500 2.528) 17.115 4.797 ( -3.574 -3.980 6.421) 8.356 5.314 ( -5.617 10.562 2.454) 12.212 7.889 ( 30.495 -2.604 -2.123) 30.679 8.423 ( -5.375 0.653 0.465) 5.434 9.179 ( -7.675 14.917 -6.825) 18.111 10.469 ( 15.120 4.431 -1.366) 15.815 11.492 ( -1.148 0.822 5.908) 6.074 12.488 ( -10.183 -1.646 -1.798) 10.471 ======================= Grid point 94 (66/489) ======================= q-point: ( 0.53 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.276 ( 1.847 2.592 -1.479) 3.509 3.217 ( 10.335 8.712 0.833) 13.543 3.606 ( 0.044 -0.063 -8.168) 8.168 4.277 ( 13.954 8.189 1.232) 16.226 4.708 ( -3.708 -4.913 5.973) 8.577 5.274 ( -7.782 3.876 0.316) 8.700 8.198 ( 7.446 -1.586 3.496) 8.377 8.439 ( 7.682 -2.966 -7.986) 11.471 9.245 ( 2.282 14.917 -2.732) 15.336 10.765 ( 10.694 11.223 -1.190) 15.548 11.485 ( 0.418 -4.899 6.191) 7.906 12.276 ( -11.097 -3.176 -1.860) 11.692 ======================= Grid point 95 (67/489) ======================= q-point: ( 0.59 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.318 ( 1.622 0.756 -1.004) 2.052 3.419 ( 2.162 8.032 1.236) 8.409 3.622 ( 6.676 -1.761 -6.110) 9.220 4.507 ( -0.974 5.855 -0.090) 5.936 4.675 ( 5.071 0.666 5.491) 7.503 5.143 ( -6.575 -3.966 -0.928) 7.734 8.279 ( 3.194 -0.307 3.419) 4.689 8.443 ( 0.540 -2.459 -7.144) 7.575 9.497 ( 8.284 12.566 -1.114) 15.092 11.017 ( 4.116 13.512 -1.744) 14.232 11.458 ( 1.747 -8.024 5.454) 9.859 12.053 ( -8.088 -5.878 -1.461) 10.104 ======================= Grid point 96 (68/489) ======================= q-point: (-0.35 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.341 ( 1.013 -0.076 -0.437) 1.106 3.460 ( -3.857 4.671 0.579) 6.086 3.743 ( 9.261 -1.210 -2.899) 9.779 4.451 ( -4.174 -0.552 1.125) 4.358 4.758 ( -10.708 9.696 0.584) 14.458 5.056 ( 7.956 -8.875 0.291) 11.923 8.250 ( -4.274 -2.643 -1.003) 5.124 8.512 ( 8.455 3.328 -0.581) 9.105 9.655 ( -2.151 6.336 -0.572) 6.716 11.151 ( 0.707 7.577 0.278) 7.615 11.369 ( -8.223 -4.435 0.236) 9.345 11.957 ( 5.633 -5.520 0.404) 7.897 ======================= Grid point 97 (69/489) ======================= q-point: (-0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.347 ( -0.292 0.000 0.000) 0.292 3.387 ( -7.947 0.000 0.000) 7.947 3.871 ( 6.898 -0.000 -0.000) 6.898 4.407 ( -1.139 0.000 0.000) 1.139 4.554 ( -14.966 0.000 0.000) 14.966 5.163 ( 6.091 -0.000 -0.000) 6.091 8.152 ( -4.692 0.000 0.000) 4.692 8.711 ( 10.923 -0.000 -0.000) 10.923 9.535 ( -13.808 0.000 0.000) 13.808 11.088 ( -17.065 0.000 0.000) 17.065 11.254 ( 4.008 -0.000 -0.000) 4.008 12.093 ( 11.036 -0.000 -0.000) 11.036 ======================= Grid point 108 (70/489) ======================= q-point: ( 0.35 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( 0.000 7.928 -0.806) 7.969 2.338 ( -0.000 10.657 1.523) 10.765 3.300 ( -0.000 7.285 6.244) 9.595 3.766 ( 0.000 5.468 -13.172) 14.262 4.910 ( -0.000 -3.011 7.386) 7.977 5.297 ( -0.000 19.028 4.910) 19.651 6.733 ( 0.000 0.388 -2.635) 2.664 8.867 ( -0.000 -0.961 5.393) 5.478 9.471 ( 0.000 14.584 -0.006) 14.584 9.632 ( 0.000 2.095 -14.132) 14.286 11.519 ( -0.000 3.197 4.088) 5.189 12.815 ( 0.000 -1.358 -1.239) 1.839 ======================= Grid point 109 (71/489) ======================= q-point: ( 0.41 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.205 ( -0.687 5.906 -1.693) 6.182 2.508 ( 8.187 8.424 0.600) 11.762 3.464 ( 8.321 6.394 5.147) 11.688 3.749 ( -1.622 2.412 -11.427) 11.791 4.895 ( -1.720 -1.911 6.648) 7.128 5.464 ( -2.458 15.459 4.152) 16.194 6.899 ( 19.152 0.421 -2.437) 19.311 8.771 ( -10.352 -1.558 4.867) 11.544 9.435 ( -7.622 9.925 -9.273) 15.576 9.862 ( 17.799 2.637 -2.605) 18.181 11.560 ( -1.601 4.797 3.474) 6.135 12.758 ( -4.552 -1.202 -1.160) 4.849 ======================= Grid point 110 (72/489) ======================= q-point: ( 0.47 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( 0.042 4.069 -1.760) 4.434 2.770 ( 13.172 6.537 0.411) 14.710 3.659 ( 0.831 2.437 -7.838) 8.250 3.756 ( 10.294 3.007 2.008) 10.911 4.852 ( -3.602 -1.714 5.262) 6.603 5.532 ( -5.953 10.556 2.596) 12.394 7.328 ( 30.229 -0.269 -2.329) 30.320 8.578 ( -11.040 -0.934 3.293) 11.558 9.375 ( -5.733 6.671 -8.418) 12.175 10.212 ( 19.278 4.723 0.291) 19.850 11.568 ( -3.548 2.965 3.046) 5.537 12.634 ( -8.295 -0.911 -1.013) 8.406 ======================= Grid point 111 (73/489) ======================= q-point: ( 0.53 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.275 ( 0.682 2.217 -1.315) 2.667 3.065 ( 14.254 4.789 0.349) 15.041 3.609 ( -2.303 0.152 -6.292) 6.702 4.055 ( 17.243 3.480 1.845) 17.687 4.772 ( -5.279 -1.970 3.762) 6.775 5.483 ( -9.666 5.443 0.894) 11.129 7.832 ( 28.368 -1.567 -2.075) 28.487 8.426 ( -6.342 -0.489 1.173) 6.468 9.339 ( -1.973 5.825 -4.533) 7.640 10.603 ( 19.004 7.614 0.252) 20.474 11.509 ( -5.414 -1.545 2.846) 6.308 12.454 ( -11.440 -0.895 -0.832) 11.505 ======================= Grid point 112 (74/489) ======================= q-point: ( 0.59 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.300 ( 1.008 0.738 -0.635) 1.401 3.336 ( 12.676 2.967 0.347) 13.023 3.562 ( -1.318 -0.318 -3.111) 3.394 4.400 ( 18.455 3.416 0.325) 18.772 4.663 ( -6.092 -2.273 2.474) 6.956 5.323 ( -12.812 1.201 -0.157) 12.869 8.176 ( 13.098 -1.049 0.036) 13.140 8.366 ( 0.079 -1.217 -1.607) 2.017 9.433 ( 7.724 5.227 -1.171) 9.399 10.994 ( 16.103 10.249 -1.078) 19.118 11.378 ( -5.306 -7.276 2.964) 9.481 12.224 ( -13.867 -1.165 -0.611) 13.929 ======================= Grid point 113 (75/489) ======================= q-point: (-0.35 -0.65 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( 1.170 -0.000 -0.000) 1.170 3.529 ( -1.762 0.000 0.000) 1.762 3.557 ( 11.184 -0.000 -0.000) 11.184 4.541 ( -6.342 0.000 0.000) 6.342 4.738 ( 17.595 -0.000 -0.000) 17.595 5.084 ( -15.071 0.000 0.000) 15.071 8.280 ( 0.433 -0.000 -0.000) 0.433 8.395 ( 5.226 -0.000 -0.000) 5.226 9.627 ( 8.959 -0.000 -0.000) 8.959 11.215 ( -4.977 0.000 0.000) 4.977 11.330 ( 11.603 -0.000 -0.000) 11.603 11.984 ( -11.471 0.000 0.000) 11.471 ======================= Grid point 127 (76/489) ======================= q-point: ( 0.41 0.41 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.253 ( 0.000 3.830 -2.301) 4.469 2.504 ( 0.000 6.025 -0.252) 6.031 3.473 ( -0.000 5.726 5.853) 8.188 3.745 ( 0.000 0.938 -9.595) 9.641 4.917 ( -0.000 -0.926 5.386) 5.465 5.638 ( -0.000 12.451 3.494) 12.932 6.731 ( 0.000 0.809 -1.932) 2.094 8.874 ( -0.000 -1.294 4.294) 4.485 9.545 ( 0.000 -2.097 -9.392) 9.624 9.709 ( 0.000 9.558 -0.278) 9.562 11.637 ( -0.000 5.538 2.271) 5.985 12.782 ( 0.000 -1.174 -0.921) 1.492 ======================= Grid point 128 (77/489) ======================= q-point: ( 0.47 0.41 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.272 ( -0.309 2.409 -1.877) 3.070 2.629 ( 8.620 3.989 -0.265) 9.501 3.597 ( 6.609 4.104 3.078) 8.366 3.709 ( -1.347 -0.158 -5.878) 6.033 4.907 ( -2.173 -0.631 3.683) 4.322 5.719 ( -3.702 8.156 2.223) 9.229 6.897 ( 18.544 0.541 -1.408) 18.605 8.771 ( -10.407 -0.951 2.935) 10.855 9.461 ( -3.386 0.466 -6.661) 7.487 9.946 ( 15.959 4.763 0.314) 16.658 11.669 ( -2.803 3.910 1.520) 5.046 12.732 ( -4.341 -0.796 -0.654) 4.462 ======================= Grid point 129 (78/489) ======================= q-point: ( 0.53 0.41 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.283 ( 0.044 1.172 -0.909) 1.484 2.855 ( 13.767 2.123 -0.003) 13.930 3.639 ( -2.781 0.279 -3.503) 4.481 3.819 ( 13.214 1.335 1.617) 13.379 4.854 ( -4.320 -0.521 1.869) 4.736 5.683 ( -7.718 3.612 0.822) 8.561 7.315 ( 28.919 -0.027 -0.910) 28.934 8.580 ( -10.928 -0.397 1.301) 11.013 9.399 ( -2.769 0.961 -3.193) 4.334 10.305 ( 20.849 3.005 0.415) 21.068 11.622 ( -6.136 1.096 0.917) 6.300 12.617 ( -8.282 -0.342 -0.337) 8.296 ======================= Grid point 130 (79/489) ======================= q-point: (-0.41 -0.59 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.291 ( 0.460 -0.000 -0.000) 0.460 3.113 ( 14.641 -0.000 -0.000) 14.641 3.589 ( -2.345 0.000 0.000) 2.345 4.096 ( 17.827 -0.000 -0.000) 17.827 4.765 ( -5.995 0.000 0.000) 5.995 5.539 ( -11.115 0.000 0.000) 11.115 7.809 ( 27.278 -0.000 -0.000) 27.278 8.425 ( -6.826 0.000 0.000) 6.826 9.378 ( 0.875 -0.000 -0.000) 0.875 10.692 ( 21.876 -0.000 -0.000) 21.876 11.496 ( -8.795 0.000 0.000) 8.795 12.443 ( -11.856 0.000 0.000) 11.856 ======================= Grid point 146 (80/489) ======================= q-point: ( 0.47 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.286 ( 0.000 1.025 -1.235) 1.605 2.580 ( 0.000 1.938 -0.267) 1.956 3.579 ( -0.000 2.129 2.300) 3.134 3.709 ( 0.000 0.004 -3.333) 3.333 4.931 ( -0.000 -0.231 1.871) 1.885 5.819 ( -0.000 4.305 1.245) 4.482 6.735 ( 0.000 0.395 -0.702) 0.806 8.875 ( -0.000 -0.498 1.607) 1.682 9.465 ( 0.000 -1.268 -3.218) 3.459 9.836 ( 0.000 3.329 -0.148) 3.332 11.731 ( -0.000 2.441 0.670) 2.531 12.761 ( 0.000 -0.485 -0.346) 0.596 ======================= Grid point 147 (81/489) ======================= q-point: (-0.47 -0.53 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.288 ( -0.105 0.000 0.000) 0.105 2.666 ( 8.769 -0.000 -0.000) 8.769 3.654 ( 7.011 -0.000 -0.000) 7.011 3.682 ( -2.327 0.000 0.000) 2.327 4.913 ( -2.331 0.000 0.000) 2.331 5.807 ( -4.183 0.000 0.000) 4.183 6.899 ( 18.315 -0.000 -0.000) 18.315 8.771 ( -10.410 0.000 0.000) 10.410 9.437 ( -1.868 0.000 0.000) 1.868 9.999 ( 15.527 -0.000 -0.000) 15.527 11.714 ( -3.452 0.000 0.000) 3.452 12.722 ( -4.232 0.000 0.000) 4.232 ======================= Grid point 313 (82/489) ======================= q-point: ( 0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.205 ( -0.000 0.000 21.188) 21.188 0.205 ( -0.000 0.000 21.188) 21.188 0.407 ( -0.000 0.000 42.075) 42.075 3.137 ( 0.000 -0.000 -2.359) 2.359 3.137 ( 0.000 -0.000 -2.359) 2.359 6.283 ( 0.000 -0.000 -3.268) 3.268 7.027 ( -0.000 0.000 0.171) 0.171 7.027 ( -0.000 0.000 0.171) 0.171 7.717 ( -0.000 0.000 0.005) 0.005 7.717 ( -0.000 0.000 0.005) 0.005 12.484 ( -0.000 0.000 0.492) 0.492 12.755 ( -0.000 0.000 0.752) 0.752 ======================= Grid point 314 (83/489) ======================= q-point: ( 0.12 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.431 ( 12.705 7.335 11.436) 18.601 0.445 ( 8.708 5.028 19.330) 21.789 1.042 ( 34.308 19.808 17.643) 43.367 3.162 ( 1.170 0.676 -0.114) 1.356 3.189 ( 6.919 3.995 -5.233) 9.551 5.677 ( -8.718 -5.033 6.151) 11.797 6.965 ( -3.933 -2.271 -1.595) 4.813 7.261 ( 17.509 10.109 2.520) 20.374 7.809 ( 7.621 4.400 0.060) 8.800 9.372 ( 27.833 16.069 -39.632) 51.025 12.388 ( -8.241 -4.758 0.072) 9.517 12.733 ( -0.476 -0.275 -3.111) 3.159 ======================= Grid point 315 (84/489) ======================= q-point: ( 0.18 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( 13.735 7.930 10.674) 19.117 0.781 ( 15.164 8.755 7.321) 18.979 1.869 ( 33.835 19.534 8.822) 40.053 3.189 ( 0.934 0.539 2.009) 2.280 3.421 ( 14.711 8.494 -4.900) 17.680 5.527 ( -6.598 -3.810 0.617) 7.644 6.864 ( -3.873 -2.236 -2.926) 5.344 7.755 ( 23.325 13.467 1.443) 26.972 8.041 ( 12.408 7.164 0.131) 14.328 9.668 ( 10.470 6.045 -4.312) 12.836 12.141 ( -12.737 -7.354 -2.358) 14.895 12.707 ( -0.642 -0.371 -6.273) 6.317 ======================= Grid point 316 (85/489) ======================= q-point: ( 0.24 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( 16.409 9.473 4.629) 19.504 1.157 ( 15.992 9.233 5.504) 19.268 2.605 ( 29.034 16.763 1.916) 33.581 3.216 ( 0.673 0.388 3.630) 3.712 3.809 ( 19.957 11.522 -1.797) 23.114 5.372 ( -7.145 -4.125 1.017) 8.312 6.783 ( -2.172 -1.254 -3.470) 4.281 8.237 ( 17.794 10.273 -2.560) 20.706 8.360 ( 15.470 8.932 0.175) 17.865 9.936 ( 13.380 7.725 11.131) 19.043 11.808 ( -15.382 -8.881 -4.828) 18.406 12.665 ( -1.039 -0.600 -7.843) 7.934 ======================= Grid point 317 (86/489) ======================= q-point: ( 0.29 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( 16.414 9.477 1.011) 18.981 1.535 ( 15.813 9.130 4.025) 18.698 3.187 ( 22.614 13.056 -4.460) 26.491 3.241 ( 0.371 0.214 4.617) 4.637 4.287 ( 21.530 12.431 1.691) 24.919 5.217 ( -7.033 -4.061 3.388) 8.800 6.747 ( -0.038 -0.022 -3.233) 3.233 8.519 ( 8.452 4.880 -3.855) 10.493 8.733 ( 17.005 9.818 0.185) 19.637 10.356 ( 18.940 10.935 16.840) 27.602 11.420 ( -16.963 -9.793 -7.118) 20.840 12.615 ( -0.933 -0.539 -8.127) 8.198 ======================= Grid point 318 (87/489) ======================= q-point: ( 0.35 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( 14.350 8.285 -1.077) 16.605 1.892 ( 14.505 8.374 2.449) 16.927 3.261 ( -0.088 -0.051 5.064) 5.065 3.610 ( 16.843 9.724 -8.860) 21.372 4.762 ( 18.825 10.868 3.041) 21.948 5.082 ( -5.935 -3.426 6.598) 9.513 6.758 ( 1.716 0.991 -2.506) 3.195 8.640 ( 4.017 2.319 -1.647) 4.922 9.119 ( 16.618 9.594 0.126) 19.189 10.846 ( 15.259 8.810 20.524) 27.050 11.009 ( -13.358 -7.712 -13.820) 20.710 12.573 ( -0.584 -0.337 -7.171) 7.203 ======================= Grid point 319 (88/489) ======================= q-point: ( 0.41 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( 10.803 6.237 -2.064) 12.644 2.200 ( 12.024 6.942 0.906) 13.914 3.268 ( -0.771 -0.445 5.115) 5.192 3.910 ( 12.788 7.383 -11.442) 18.681 4.951 ( -5.082 -2.934 8.274) 10.144 5.177 ( 13.586 7.844 3.840) 16.151 6.802 ( 2.521 1.455 -1.724) 3.383 8.726 ( 4.164 2.404 0.832) 4.879 9.471 ( 14.033 8.102 -0.009) 16.204 10.557 ( -17.913 -10.342 -5.644) 21.441 11.324 ( 16.863 9.736 7.802) 20.977 12.543 ( -0.356 -0.206 -5.283) 5.299 ======================= Grid point 320 (89/489) ======================= q-point: ( 0.47 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.332 ( 6.580 3.799 -2.118) 7.888 2.435 ( 8.393 4.846 -0.215) 9.694 3.258 ( -1.486 -0.858 4.743) 5.044 4.133 ( 10.594 6.116 -12.835) 17.731 4.846 ( -6.539 -3.775 10.210) 12.698 5.445 ( 8.663 5.002 2.714) 10.365 6.853 ( 2.173 1.254 -1.215) 2.788 8.843 ( 5.517 3.185 2.000) 6.677 9.740 ( 9.401 5.427 -0.185) 10.856 10.157 ( -14.966 -8.641 -6.282) 18.387 11.665 ( 11.069 6.390 4.519) 13.556 12.523 ( -0.221 -0.127 -2.688) 2.700 ======================= Grid point 321 (90/489) ======================= q-point: ( 0.53 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.428 ( 2.498 1.442 -1.477) 3.241 2.571 ( 3.440 1.986 -0.425) 3.995 3.234 ( -1.652 -0.954 3.619) 4.091 4.317 ( 9.475 5.470 -13.449) 17.337 4.716 ( -7.921 -4.573 10.658) 14.045 5.581 ( 2.611 1.507 2.080) 3.663 6.886 ( 0.935 0.540 -1.021) 1.486 8.956 ( 2.760 1.593 0.734) 3.271 9.885 ( 3.325 1.919 -0.337) 3.854 9.887 ( -5.790 -3.343 -4.422) 8.016 11.838 ( 3.110 1.795 0.418) 3.615 12.521 ( 0.538 0.311 0.661) 0.908 ======================= Grid point 322 (91/489) ======================= q-point: (-0.41 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.437 ( -1.456 -0.841 -0.577) 1.777 2.580 ( -2.753 -1.589 0.423) 3.207 3.212 ( -0.896 -0.517 1.511) 1.832 4.474 ( 7.363 4.251 -13.709) 16.131 4.559 ( -8.095 -4.674 10.929) 14.381 5.575 ( -3.655 -2.110 1.468) 4.468 6.887 ( -0.552 -0.319 -0.921) 1.121 8.931 ( -4.345 -2.508 -1.829) 5.340 9.885 ( -3.264 -1.885 -0.390) 3.789 9.913 ( 8.357 4.825 -1.920) 9.839 11.804 ( -5.562 -3.211 -2.670) 6.955 12.554 ( 1.549 0.894 3.650) 4.065 ======================= Grid point 323 (92/489) ======================= q-point: (-0.35 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.355 ( -5.846 -3.375 0.204) 6.754 2.451 ( -8.647 -4.992 1.370) 10.078 3.202 ( -0.250 -0.145 -0.786) 0.837 4.350 ( -10.643 -6.145 7.505) 14.400 4.633 ( 7.677 4.432 -9.620) 13.082 5.425 ( -9.837 -5.679 0.686) 11.379 6.858 ( -1.564 -0.903 -0.627) 1.912 8.808 ( -4.876 -2.815 -1.522) 5.833 9.739 ( -9.325 -5.384 -0.283) 10.771 10.183 ( 14.721 8.499 -3.805) 17.418 11.586 ( -12.294 -7.098 -2.904) 14.490 12.606 ( 1.674 0.967 5.321) 5.661 ======================= Grid point 324 (93/489) ======================= q-point: (-0.29 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( -10.546 -6.089 0.822) 12.206 2.207 ( -13.031 -7.523 1.677) 15.140 3.191 ( -0.303 -0.175 -2.575) 2.599 4.099 ( -13.836 -7.988 6.909) 17.406 4.782 ( 8.028 4.635 -7.770) 12.096 5.138 ( -15.324 -8.847 -0.138) 17.695 6.819 ( -1.632 -0.942 0.004) 1.885 8.722 ( -2.508 -1.448 0.476) 2.935 9.471 ( -13.944 -8.051 0.003) 16.101 10.481 ( 11.139 6.431 -12.930) 18.238 11.278 ( -12.397 -7.158 2.910) 14.608 12.662 ( 1.548 0.894 6.404) 6.649 ======================= Grid point 325 (94/489) ======================= q-point: (-0.24 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( -15.824 -9.136 1.667) 18.348 1.886 ( -14.688 -8.480 1.445) 17.022 3.171 ( -0.497 -0.287 -3.964) 4.006 3.749 ( -19.098 -11.026 4.992) 22.610 4.738 ( -18.975 -10.955 0.465) 21.916 4.958 ( 8.708 5.028 -5.570) 11.495 6.792 ( -0.728 -0.420 0.861) 1.204 8.682 ( -2.176 -1.257 2.684) 3.677 9.121 ( -16.544 -9.551 0.416) 19.107 10.411 ( -12.335 -7.121 -23.443) 27.431 11.243 ( 8.174 4.719 9.976) 13.733 12.718 ( 1.461 0.843 7.124) 7.321 ======================= Grid point 326 (95/489) ======================= q-point: (-0.18 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( -17.146 -9.899 1.866) 19.886 1.523 ( -17.544 -10.129 2.274) 20.386 3.146 ( -0.387 -0.223 -5.028) 5.048 3.249 ( -26.209 -15.132 2.201) 30.343 4.292 ( -19.926 -11.505 1.777) 23.078 5.151 ( 9.228 5.328 -2.996) 11.069 6.796 ( 0.800 0.462 1.655) 1.896 8.588 ( -8.572 -4.949 3.132) 10.381 8.739 ( -17.006 -9.818 0.824) 19.654 9.981 ( -15.545 -8.975 -20.506) 27.252 11.548 ( 14.275 8.242 5.663) 17.429 12.771 ( 1.176 0.679 7.190) 7.317 ======================= Grid point 327 (96/489) ======================= q-point: (-0.12 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( -18.667 -10.777 3.724) 21.874 1.125 ( -17.292 -9.983 2.689) 20.147 2.578 ( -32.899 -18.994 0.048) 37.989 3.125 ( 0.077 0.044 -5.586) 5.586 3.865 ( -18.125 -10.465 3.329) 21.193 5.347 ( 8.428 4.866 -1.373) 9.829 6.839 ( 2.409 1.391 2.099) 3.485 8.251 ( -21.332 -12.316 -1.321) 24.668 8.369 ( -15.610 -9.013 1.032) 18.055 9.683 ( -5.185 -2.994 -13.703) 14.954 11.885 ( 13.751 7.939 3.020) 16.163 12.812 ( 0.434 0.251 6.248) 6.269 ======================= Grid point 328 (97/489) ======================= q-point: (-0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( -17.517 -10.113 7.155) 21.455 0.750 ( -16.723 -9.655 4.643) 19.860 1.777 ( -37.253 -21.508 0.417) 43.018 3.115 ( 0.671 0.388 -5.367) 5.423 3.505 ( -14.252 -8.228 3.316) 16.788 5.515 ( 6.445 3.721 -0.292) 7.447 6.914 ( 3.441 1.987 2.050) 4.471 7.690 ( -24.793 -14.314 -4.901) 29.045 8.048 ( -12.693 -7.328 0.866) 14.682 9.614 ( 0.736 0.425 -9.594) 9.632 12.178 ( 11.258 6.500 1.434) 13.078 12.825 ( -0.852 -0.492 4.000) 4.119 ======================= Grid point 331 (98/489) ======================= q-point: ( 0.12 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.531 ( -0.000 14.618 15.666) 21.427 0.568 ( -0.000 13.708 18.178) 22.768 1.057 ( -0.000 35.334 20.475) 40.838 3.071 ( 0.000 -2.186 -5.949) 6.338 3.253 ( 0.000 10.959 -1.088) 11.013 5.700 ( -0.000 -12.709 6.544) 14.294 7.008 ( -0.000 -3.021 1.084) 3.210 7.162 ( 0.000 16.286 -3.296) 16.616 7.816 ( 0.000 9.460 0.524) 9.474 9.182 ( 0.000 34.857 -40.903) 53.741 12.400 ( -0.000 -8.190 0.783) 8.228 12.784 ( 0.000 3.202 -1.772) 3.660 ======================= Grid point 332 (99/489) ======================= q-point: ( 0.18 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.726 ( 3.050 13.260 17.614) 22.257 0.816 ( 4.960 17.499 10.337) 20.920 1.670 ( 20.790 31.738 12.058) 39.811 3.101 ( 7.097 -1.626 -4.730) 8.682 3.389 ( 2.212 14.783 -1.026) 14.983 5.566 ( -4.036 -7.641 0.869) 8.686 7.125 ( -12.882 16.496 -3.513) 21.223 7.267 ( 23.686 -4.051 0.754) 24.041 8.044 ( 8.840 16.111 0.677) 18.390 9.471 ( 14.914 9.476 -16.263) 24.015 12.239 ( -8.121 -9.822 -0.003) 12.744 12.757 ( -4.634 3.357 -3.601) 6.761 ======================= Grid point 333 (100/489) ======================= q-point: ( 0.24 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( 9.703 13.249 11.621) 20.118 1.132 ( 7.947 18.599 6.442) 21.227 2.362 ( 23.262 24.852 4.559) 34.344 3.206 ( 5.162 1.371 -0.361) 5.353 3.646 ( 11.381 15.536 -0.655) 19.269 5.422 ( -4.751 -6.855 0.034) 8.340 7.016 ( -15.934 18.257 -4.010) 24.562 7.726 ( 33.353 -7.069 -0.723) 34.102 8.354 ( 7.422 15.747 -0.067) 17.408 9.786 ( 16.642 7.148 1.086) 18.145 11.951 ( -13.301 -10.089 -1.930) 16.805 12.690 ( -4.230 1.984 -5.859) 7.494 ======================= Grid point 334 (101/489) ======================= q-point: ( 0.29 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( 12.737 12.459 5.074) 18.526 1.485 ( 9.351 18.773 5.180) 21.603 2.951 ( 20.576 17.874 -2.603) 27.380 3.287 ( 0.538 4.758 2.418) 5.364 4.063 ( 19.078 14.101 2.158) 23.821 5.274 ( -4.941 -6.600 1.769) 8.432 6.937 ( -12.686 17.936 -3.881) 22.310 8.215 ( 29.584 -2.699 -3.143) 29.872 8.579 ( 6.648 6.570 0.394) 9.355 10.202 ( 19.096 11.558 9.358) 24.204 11.590 ( -16.341 -9.869 -3.392) 19.389 12.619 ( -3.008 0.583 -7.067) 7.702 ======================= Grid point 335 (102/489) ======================= q-point: ( 0.35 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( 13.048 10.452 0.746) 16.735 1.841 ( 8.957 18.336 3.985) 20.792 3.338 ( -2.101 6.533 3.584) 7.742 3.397 ( 16.761 11.984 -7.504) 21.928 4.543 ( 20.163 11.607 3.912) 23.591 5.142 ( -4.365 -6.073 4.632) 8.797 6.913 ( -9.553 17.894 -3.280) 20.547 8.567 ( 9.079 3.343 -3.360) 10.242 8.813 ( 21.664 -1.495 1.409) 21.761 10.687 ( 19.694 11.745 7.514) 24.130 11.192 ( -18.297 -8.282 -1.739) 20.160 12.558 ( -1.457 -0.562 -6.904) 7.079 ======================= Grid point 336 (103/489) ======================= q-point: ( 0.41 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( 11.420 7.777 -1.448) 13.892 2.163 ( 7.158 16.790 2.297) 18.396 3.368 ( -3.916 7.467 4.293) 9.461 3.720 ( 13.512 7.739 -10.423) 18.738 4.954 ( 11.331 4.944 3.992) 12.991 5.055 ( 2.031 -2.504 7.196) 7.885 6.936 ( -7.447 17.784 -2.491) 19.440 8.667 ( 3.842 0.378 0.891) 3.962 9.212 ( 22.489 1.315 -1.417) 22.572 10.752 ( -16.154 -8.015 -10.959) 21.102 11.173 ( 14.751 10.883 13.715) 22.894 12.516 ( 0.002 -1.570 -5.470) 5.691 ======================= Grid point 337 (104/489) ======================= q-point: ( 0.47 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.236 ( 8.397 4.803 -2.262) 9.934 2.421 ( 4.497 14.124 0.769) 14.842 3.379 ( -5.514 8.164 4.600) 10.873 3.956 ( 11.483 5.165 -12.141) 17.491 4.923 ( -4.278 -5.418 8.637) 11.056 5.317 ( 12.531 3.926 3.587) 13.612 6.983 ( -6.773 17.393 -1.879) 18.760 8.746 ( 5.916 -1.892 2.651) 6.753 9.553 ( 16.292 1.110 -3.255) 16.651 10.373 ( -17.463 -2.669 -6.780) 18.922 11.535 ( 12.902 6.301 6.897) 15.929 12.492 ( 1.074 -2.380 -3.076) 4.035 ======================= Grid point 338 (105/489) ======================= q-point: ( 0.53 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.374 ( 4.819 1.956 -2.134) 5.622 2.593 ( 1.103 10.682 -0.049) 10.739 3.371 ( -6.977 8.942 4.372) 12.155 4.146 ( 10.639 3.848 -13.179) 17.369 4.810 ( -5.668 -6.298 9.367) 12.630 5.517 ( 7.053 0.503 2.930) 7.654 7.026 ( -7.426 16.711 -1.582) 18.354 8.836 ( 7.134 -5.656 1.972) 9.315 9.740 ( 8.371 -3.512 -5.910) 10.832 10.112 ( -13.100 7.849 -1.951) 15.395 11.761 ( 7.396 0.939 1.944) 7.705 12.488 ( 2.097 -2.592 0.077) 3.335 ======================= Grid point 339 (106/489) ======================= q-point: (-0.41 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.427 ( 1.236 -0.529 -1.493) 2.009 2.661 ( -3.493 7.036 0.086) 7.856 3.348 ( -7.734 9.720 3.287) 12.849 4.312 ( 9.914 2.856 -13.914) 17.321 4.667 ( -6.897 -6.814 9.794) 13.782 5.582 ( 0.836 -2.953 2.490) 3.952 7.044 ( -8.801 15.920 -1.452) 18.249 8.854 ( 3.630 -10.525 -0.967) 11.176 9.798 ( 6.414 -1.495 -4.281) 7.855 10.040 ( -8.649 11.498 -0.145) 14.389 11.807 ( -0.069 -4.312 -1.818) 4.680 12.517 ( 3.326 -2.170 3.101) 5.038 ======================= Grid point 340 (107/489) ======================= q-point: (-0.35 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.395 ( -2.725 -2.820 -0.773) 3.997 2.608 ( -9.313 3.949 0.848) 10.151 3.323 ( -7.496 10.026 1.470) 12.605 4.409 ( 1.314 -3.403 -8.698) 9.432 4.548 ( -0.265 -1.565 4.978) 5.225 5.502 ( -5.614 -6.322 1.947) 8.676 7.032 ( -10.093 15.372 -1.222) 18.430 8.770 ( 0.565 -10.422 -2.245) 10.676 9.836 ( -3.746 -4.424 0.527) 5.821 10.081 ( 4.225 13.469 -4.359) 14.774 11.673 ( -7.303 -7.885 -2.827) 11.113 12.572 ( 3.782 -1.895 4.711) 6.332 ======================= Grid point 341 (108/489) ======================= q-point: (-0.29 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.270 ( -7.392 -4.982 -0.125) 8.916 2.431 ( -15.004 1.822 1.488) 15.187 3.298 ( -7.043 9.549 -0.440) 11.874 4.239 ( -9.593 -8.428 3.137) 13.149 4.654 ( 8.253 2.755 -5.640) 10.368 5.281 ( -11.778 -9.297 1.248) 15.057 7.002 ( -10.684 15.498 -0.701) 18.837 8.688 ( 1.216 -7.400 -1.129) 7.584 9.614 ( -13.041 -9.028 0.925) 15.888 10.342 ( 10.981 11.881 -9.384) 18.703 11.412 ( -11.694 -9.066 0.032) 14.797 12.634 ( 3.621 -1.657 5.445) 6.745 ======================= Grid point 342 (109/489) ======================= q-point: (-0.24 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.045 ( -12.330 -6.766 0.515) 14.074 2.153 ( -19.180 0.487 1.900) 19.280 3.266 ( -6.734 8.556 -2.126) 11.094 3.956 ( -14.910 -9.610 3.595) 18.099 4.818 ( 9.361 3.025 -4.407) 10.780 4.937 ( -16.450 -11.232 0.562) 19.927 6.977 ( -10.427 16.566 0.087) 19.575 8.661 ( 2.341 -4.720 0.686) 5.313 9.246 ( -15.416 -16.466 0.627) 22.565 10.497 ( -3.785 7.345 -19.953) 21.596 11.207 ( -0.878 -4.249 8.825) 9.834 12.697 ( 3.343 -1.278 5.766) 6.786 ======================= Grid point 343 (110/489) ======================= q-point: (-0.18 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( -17.096 -7.837 1.277) 18.850 1.816 ( -20.966 -0.304 2.463) 21.112 3.225 ( -6.159 7.342 -3.516) 10.208 3.550 ( -22.498 -10.916 2.342) 25.116 4.513 ( -19.107 -11.889 1.551) 22.557 5.014 ( 10.543 3.405 -2.896) 11.452 6.979 ( -9.579 18.517 0.915) 20.868 8.654 ( -1.187 -2.825 2.639) 4.044 8.786 ( -13.300 -25.294 -0.862) 28.591 10.224 ( -21.443 2.842 -18.275) 28.317 11.378 ( 14.199 2.980 6.763) 16.007 12.757 ( 2.887 -1.007 5.457) 6.255 ======================= Grid point 344 (111/489) ======================= q-point: (-0.12 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( -19.922 -8.136 2.693) 21.687 1.458 ( -21.500 -0.650 3.195) 21.746 2.987 ( -31.146 -11.354 0.984) 33.166 3.182 ( -5.072 6.047 -4.239) 8.959 4.084 ( -18.684 -10.399 2.489) 21.527 5.219 ( 10.379 3.078 -1.340) 10.908 7.023 ( -8.589 21.171 1.543) 22.899 8.244 ( -14.285 -31.347 -1.497) 34.481 8.594 ( -7.383 -2.705 1.181) 7.951 9.851 ( -18.432 5.030 -12.012) 22.569 11.695 ( 16.193 3.640 3.138) 16.891 12.805 ( 2.049 -1.203 4.078) 4.720 ======================= Grid point 345 (112/489) ======================= q-point: (-0.06 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( -19.809 -7.396 5.616) 21.878 1.096 ( -21.428 -0.872 4.105) 21.835 2.295 ( -38.278 -8.465 1.886) 39.248 3.149 ( -3.368 4.683 -4.123) 7.090 3.701 ( -16.731 -7.204 2.163) 18.344 5.408 ( 8.980 2.013 -0.442) 9.213 7.112 ( -8.058 24.347 1.910) 25.717 7.677 ( -12.522 -33.877 -3.863) 36.323 8.360 ( -18.224 0.521 0.398) 18.236 9.660 ( -7.295 5.416 -6.492) 11.167 11.999 ( 14.989 1.987 1.143) 15.164 12.823 ( 0.733 -2.181 1.227) 2.608 ======================= Grid point 349 (113/489) ======================= q-point: ( 0.18 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( -0.000 16.946 13.429) 21.621 0.956 ( -0.000 14.896 15.613) 21.579 1.890 ( -0.000 38.060 10.382) 39.451 2.994 ( 0.000 -0.941 -6.840) 6.905 3.538 ( 0.000 17.843 0.163) 17.844 5.515 ( -0.000 -9.439 -0.034) 9.439 6.936 ( -0.000 -4.335 0.172) 4.338 7.585 ( 0.000 28.099 -5.550) 28.642 8.071 ( -0.000 15.235 1.424) 15.302 9.366 ( 0.000 7.657 -13.885) 15.856 12.199 ( -0.000 -12.362 0.860) 12.391 12.830 ( 0.000 2.732 -2.782) 3.899 ======================= Grid point 350 (114/489) ======================= q-point: ( 0.24 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( 0.731 16.066 14.350) 21.554 1.228 ( 5.809 17.977 9.057) 20.951 2.374 ( 10.253 32.971 5.174) 34.914 3.059 ( 9.345 0.828 -4.630) 10.462 3.734 ( 1.367 19.807 1.236) 19.893 5.401 ( -2.182 -9.061 -0.538) 9.335 7.122 ( 24.934 -5.824 -0.852) 25.619 7.589 ( -22.525 27.913 -4.899) 36.201 8.370 ( 8.936 15.620 0.604) 18.005 9.540 ( 16.345 5.298 -5.347) 17.995 12.015 ( -6.930 -12.778 0.635) 14.550 12.792 ( -5.456 2.505 -3.859) 7.137 ======================= Grid point 351 (115/489) ======================= q-point: ( 0.29 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( 5.367 14.998 8.618) 18.111 1.559 ( 7.989 19.970 6.728) 22.536 2.861 ( 12.526 24.102 -1.814) 27.223 3.250 ( 9.698 3.839 -1.216) 10.500 4.006 ( 7.443 19.686 3.733) 21.375 5.269 ( -2.905 -8.580 0.788) 9.093 7.460 ( -21.386 27.139 -4.348) 34.825 7.584 ( 34.237 -4.761 -2.697) 34.672 8.579 ( 2.562 7.319 0.795) 7.795 9.957 ( 23.264 8.948 0.906) 24.942 11.734 ( -12.059 -11.174 0.725) 16.456 12.694 ( -6.366 1.740 -5.287) 8.456 ======================= Grid point 352 (116/489) ======================= q-point: ( 0.35 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( 8.452 12.633 3.229) 15.539 1.920 ( 7.923 21.079 5.213) 23.114 3.254 ( 12.184 15.741 -6.951) 21.084 3.419 ( 3.754 7.343 0.639) 8.272 4.388 ( 13.895 16.210 5.509) 22.049 5.145 ( -2.786 -7.902 3.240) 8.984 7.376 ( -18.340 27.639 -3.978) 33.408 8.139 ( 35.363 -2.396 -4.385) 35.715 8.645 ( 1.146 0.532 2.622) 2.910 10.443 ( 21.910 8.163 -0.045) 23.382 11.414 ( -14.791 -6.880 3.654) 16.717 12.587 ( -4.914 0.245 -5.942) 7.714 ======================= Grid point 353 (117/489) ======================= q-point: ( 0.41 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( 9.308 9.620 -0.061) 13.386 2.260 ( 5.810 20.791 3.458) 21.863 3.492 ( 2.977 7.413 -4.704) 9.271 3.587 ( 7.163 12.186 -3.018) 14.453 4.791 ( 14.989 10.686 4.854) 19.037 5.043 ( -2.060 -7.185 5.880) 9.510 7.352 ( -15.008 27.277 -3.228) 31.300 8.618 ( 7.964 3.484 -1.588) 8.837 8.736 ( 25.281 -5.857 -0.129) 25.951 10.743 ( 6.360 -3.222 -11.793) 13.781 11.224 ( -4.162 5.871 15.048) 16.680 12.498 ( -2.525 -1.660 -5.415) 6.201 ======================= Grid point 354 (118/489) ======================= q-point: ( 0.47 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( 8.194 6.272 -1.726) 10.463 2.538 ( 2.601 19.020 1.802) 19.281 3.565 ( -1.895 9.052 -0.321) 9.253 3.804 ( 7.853 8.506 -7.950) 14.043 4.947 ( -2.522 -6.157 7.259) 9.848 5.139 ( 13.519 4.196 3.962) 14.699 7.374 ( -12.835 26.839 -2.595) 29.863 8.660 ( 2.084 -2.706 3.696) 5.032 9.178 ( 25.443 -1.579 -6.533) 26.316 10.585 ( -10.719 -1.850 -8.188) 13.615 11.431 ( 9.169 6.874 10.800) 15.746 12.436 ( 0.049 -3.646 -3.684) 5.184 ======================= Grid point 355 (119/489) ======================= q-point: ( 0.53 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.299 ( 5.820 3.014 -2.220) 6.920 2.730 ( -0.826 16.086 0.722) 16.124 3.610 ( -5.029 11.543 1.875) 12.730 3.975 ( 8.127 5.367 -10.771) 14.521 4.851 ( -3.891 -7.182 8.085) 11.493 5.377 ( 10.356 -0.063 3.029) 10.790 7.416 ( -12.406 26.623 -2.312) 29.462 8.677 ( 4.011 -7.085 3.001) 8.677 9.482 ( 15.496 -3.115 -8.215) 17.813 10.406 ( -11.062 8.541 -2.308) 14.165 11.644 ( 7.671 0.862 4.498) 8.934 12.407 ( 2.504 -5.014 -0.848) 5.668 ======================= Grid point 356 (120/489) ======================= q-point: ( 0.59 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.383 ( 2.957 0.330 -1.957) 3.561 2.830 ( -4.329 12.806 0.407) 13.524 3.629 ( -8.241 13.645 2.787) 16.182 4.125 ( 9.094 2.908 -12.815) 15.980 4.725 ( -5.160 -7.774 8.276) 12.472 5.503 ( 5.449 -3.796 2.796) 7.206 7.450 ( -13.540 26.367 -2.200) 29.722 8.665 ( 4.385 -11.252 0.410) 12.084 9.624 ( 9.189 -3.040 -6.375) 11.590 10.348 ( -10.361 14.875 0.286) 18.130 11.724 ( 3.318 -5.147 -0.402) 6.136 12.420 ( 4.629 -5.173 2.245) 7.296 ======================= Grid point 357 (121/489) ======================= q-point: (-0.35 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.394 ( -0.304 -1.709 -1.416) 2.240 2.834 ( -8.597 9.908 0.552) 13.129 3.617 ( -10.318 14.458 2.430) 17.928 4.250 ( 8.176 0.018 -13.716) 15.968 4.590 ( -4.720 -6.693 8.618) 11.888 5.501 ( -0.721 -6.747 2.676) 7.294 7.456 ( -15.020 25.646 -1.884) 29.780 8.614 ( 3.249 -11.078 -1.790) 11.682 9.723 ( 7.562 -4.436 -2.738) 9.185 10.312 ( -10.896 15.395 -0.825) 18.879 11.659 ( -1.919 -8.803 -2.497) 9.349 12.471 ( 5.717 -4.741 3.914) 8.395 ======================= Grid point 358 (122/489) ======================= q-point: (-0.29 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.327 ( -4.360 -3.292 -0.904) 5.538 2.731 ( -13.807 7.513 0.768) 15.738 3.581 ( -11.018 14.066 1.386) 17.921 4.254 ( -1.200 -6.770 -6.871) 9.720 4.552 ( 3.578 -0.596 2.621) 4.475 5.363 ( -7.387 -8.882 2.353) 11.790 7.437 ( -15.613 25.164 -1.185) 29.638 8.563 ( 2.704 -7.738 -2.223) 8.493 9.685 ( -4.742 -11.739 0.353) 12.665 10.343 ( -0.219 15.404 -5.226) 16.268 11.482 ( -7.177 -9.493 -1.257) 11.967 12.540 ( 5.822 -4.058 4.247) 8.270 ======================= Grid point 359 (123/489) ======================= q-point: (-0.24 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.172 ( -9.114 -4.344 -0.423) 10.106 2.519 ( -18.807 5.386 1.042) 19.591 3.526 ( -11.040 12.555 -0.011) 16.719 4.074 ( -8.587 -8.618 -0.922) 12.201 4.672 ( 8.643 1.591 -1.625) 8.937 5.095 ( -13.641 -10.038 1.898) 17.042 7.422 ( -15.290 26.069 -0.253) 30.223 8.545 ( 3.419 -5.306 -1.755) 6.551 9.347 ( -15.688 -19.122 0.936) 24.751 10.530 ( 5.081 14.030 -11.775) 19.008 11.250 ( -8.323 -8.699 4.464) 12.841 12.615 ( 5.484 -3.147 3.923) 7.441 ======================= Grid point 360 (124/489) ======================= q-point: (-0.18 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( -14.004 -4.540 0.129) 14.722 2.214 ( -22.163 3.302 1.560) 22.462 3.451 ( -10.479 9.915 -1.325) 14.487 3.790 ( -15.452 -7.790 0.019) 17.304 4.728 ( -18.041 -9.637 1.894) 20.541 4.851 ( 10.497 1.980 -1.170) 10.746 7.434 ( -14.524 28.167 0.555) 31.696 8.548 ( 3.404 -7.875 -2.314) 8.886 8.835 ( -18.144 -22.831 1.354) 29.194 10.555 ( -14.053 10.092 -15.153) 22.999 11.191 ( 8.932 -4.009 8.946) 13.262 12.687 ( 4.836 -2.379 2.928) 6.133 ======================= Grid point 361 (125/489) ======================= q-point: (-0.12 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( -18.470 -3.527 1.046) 18.833 1.852 ( -23.144 1.028 2.184) 23.269 3.353 ( -12.050 4.277 -2.469) 13.023 3.393 ( -21.172 -3.353 0.406) 21.440 4.328 ( -19.474 -6.865 2.018) 20.746 5.055 ( 11.150 1.800 -0.019) 11.294 7.486 ( -13.237 30.058 0.972) 32.858 8.172 ( -16.359 -32.608 -3.425) 36.642 8.620 ( -0.061 -1.743 1.421) 2.250 10.256 ( -23.200 7.129 -6.682) 25.173 11.435 ( 16.967 -0.672 3.364) 17.310 12.746 ( 3.743 -2.178 0.917) 4.426 ======================= Grid point 362 (126/489) ======================= q-point: (-0.06 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( -21.081 -0.971 3.019) 21.318 1.469 ( -22.464 -1.274 2.440) 22.632 2.866 ( -32.249 -0.430 0.450) 32.255 3.270 ( -6.517 2.729 -0.656) 7.096 3.962 ( -18.897 -1.709 1.011) 19.001 5.255 ( 10.404 0.792 0.507) 10.446 7.527 ( -10.073 -17.351 -2.066) 20.169 7.618 ( -16.581 17.285 -0.846) 23.967 8.569 ( -6.523 -0.593 0.217) 6.553 9.940 ( -19.041 6.352 0.588) 20.081 11.725 ( 17.189 -1.803 0.196) 17.285 12.771 ( 2.090 -2.691 -2.290) 4.106 ======================= Grid point 367 (127/489) ======================= q-point: ( 0.24 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( -0.000 15.579 11.365) 19.284 1.360 ( -0.000 17.704 11.552) 21.139 2.648 ( -0.000 33.798 3.029) 33.933 2.964 ( 0.000 1.992 -4.622) 5.033 3.936 ( 0.000 21.700 1.676) 21.765 5.322 ( -0.000 -9.791 -0.393) 9.799 6.851 ( 0.000 -3.821 -1.321) 4.042 8.131 ( 0.000 29.578 -6.121) 30.205 8.413 ( -0.000 18.061 1.653) 18.137 9.395 ( 0.000 2.344 -4.597) 5.160 11.942 ( -0.000 -13.997 1.171) 14.046 12.852 ( 0.000 1.487 -3.393) 3.705 ======================= Grid point 368 (128/489) ======================= q-point: ( 0.29 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( -0.430 15.337 9.287) 17.935 1.636 ( 6.806 17.644 8.236) 20.627 2.976 ( 3.338 24.518 -2.960) 24.921 3.096 ( 10.571 6.993 -1.404) 12.752 4.169 ( 1.064 22.614 3.603) 22.924 5.217 ( -1.205 -9.351 0.931) 9.474 7.012 ( 22.560 -4.188 -2.204) 23.052 8.136 ( -22.529 29.973 -5.221) 37.858 8.633 ( 1.232 9.885 1.339) 10.051 9.630 ( 22.055 6.508 -2.368) 23.117 11.766 ( -5.222 -12.679 1.825) 13.833 12.803 ( -5.371 1.231 -3.982) 6.799 ======================= Grid point 369 (129/489) ======================= q-point: ( 0.35 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( 2.482 13.504 4.836) 14.557 1.981 ( 9.800 18.303 6.005) 21.612 3.253 ( 6.828 17.502 -5.617) 19.609 3.348 ( 9.638 7.449 -2.289) 12.394 4.447 ( 4.171 21.385 5.977) 22.593 5.110 ( -1.646 -8.459 3.086) 9.153 7.459 ( 33.836 -4.135 -2.860) 34.207 8.024 ( -22.100 30.136 -5.514) 37.776 8.682 ( -1.729 3.012 2.574) 4.323 10.111 ( 24.448 6.486 -2.901) 25.459 11.550 ( -8.265 -8.265 4.286) 12.449 12.687 ( -7.408 0.802 -4.667) 8.792 ======================= Grid point 370 (130/489) ======================= q-point: ( 0.41 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( 5.138 10.817 1.289) 12.044 2.346 ( 9.220 18.598 4.089) 21.156 3.459 ( 3.626 10.273 -10.334) 15.016 3.588 ( 9.660 9.716 0.695) 13.718 4.750 ( 6.748 16.227 5.901) 18.539 5.017 ( -1.549 -7.524 5.230) 9.294 7.879 ( -7.691 19.496 -0.583) 20.966 8.092 ( 26.082 5.206 -8.118) 27.808 8.680 ( -2.336 2.349 2.846) 4.368 10.490 ( 16.423 -0.161 -7.026) 17.863 11.396 ( -6.043 0.091 9.791) 11.506 12.550 ( -6.758 -0.537 -4.847) 8.334 ======================= Grid point 371 (131/489) ======================= q-point: ( 0.47 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.081 ( 6.018 7.562 -0.903) 9.706 2.669 ( 5.760 18.308 2.490) 19.354 3.555 ( 4.061 4.442 -10.048) 11.713 3.835 ( 5.181 13.109 0.596) 14.109 4.940 ( -1.501 -7.173 6.749) 9.962 5.015 ( 7.899 8.706 3.960) 12.404 7.870 ( -14.332 24.728 -1.705) 28.632 8.599 ( 20.974 -6.211 -4.228) 22.279 8.700 ( 9.326 6.372 -0.860) 11.327 10.604 ( 2.943 -2.115 -8.020) 8.801 11.437 ( 2.339 5.180 12.033) 13.308 12.422 ( -4.394 -2.906 -4.220) 6.750 ======================= Grid point 372 (132/489) ======================= q-point: ( 0.53 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.231 ( 5.259 4.216 -1.897) 7.003 2.906 ( 0.835 17.018 1.320) 17.089 3.643 ( 5.976 2.593 -8.258) 10.518 4.013 ( -0.278 14.400 -0.733) 14.422 4.859 ( -2.573 -7.180 7.274) 10.539 5.215 ( 8.751 1.108 2.395) 9.140 7.886 ( -11.606 24.679 -2.007) 27.345 8.600 ( -1.085 -5.167 0.731) 5.330 9.112 ( 22.635 1.303 -6.928) 23.708 10.592 ( -2.547 6.287 -3.570) 7.665 11.574 ( 4.164 1.544 7.906) 9.068 12.324 ( -0.614 -5.812 -2.392) 6.315 ======================= Grid point 373 (133/489) ======================= q-point: ( 0.59 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.328 ( 3.560 1.408 -1.965) 4.303 3.041 ( -3.558 14.677 0.792) 15.122 3.756 ( 6.029 3.461 -5.722) 9.004 4.108 ( -3.474 13.400 -3.517) 14.283 4.752 ( -4.222 -7.447 6.912) 11.003 5.350 ( 8.044 -4.368 2.146) 9.402 7.936 ( -11.510 26.141 -2.978) 28.718 8.518 ( 0.427 -9.488 0.325) 9.503 9.401 ( 12.784 0.946 -5.755) 14.052 10.632 ( -4.774 14.124 -0.276) 14.911 11.626 ( 1.662 -4.676 2.246) 5.447 12.283 ( 4.060 -7.620 0.734) 8.666 ======================= Grid point 374 (134/489) ======================= q-point: (-0.35 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.368 ( 1.311 -0.517 -1.561) 2.103 3.083 ( -7.182 12.210 0.718) 14.184 3.859 ( 1.087 6.385 -1.931) 6.758 4.151 ( -1.894 9.070 -8.069) 12.286 4.622 ( -4.640 -7.338 6.646) 10.933 5.408 ( 4.406 -7.330 2.475) 8.903 7.964 ( -14.033 24.896 -3.441) 28.785 8.461 ( 3.287 -7.366 -0.131) 8.067 9.549 ( 6.955 -1.363 -3.572) 7.936 10.660 ( -10.377 15.882 0.696) 18.984 11.567 ( 0.325 -9.534 -1.700) 9.689 12.312 ( 7.071 -7.412 2.927) 10.654 ======================= Grid point 375 (135/489) ======================= q-point: (-0.29 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.350 ( -1.733 -1.641 -1.115) 2.634 3.037 ( -11.429 9.694 0.589) 14.998 3.893 ( -6.513 10.084 1.702) 12.125 4.162 ( -0.009 0.995 -11.200) 11.244 4.524 ( -0.950 -4.692 6.141) 7.786 5.364 ( -1.585 -8.343 2.527) 8.860 7.932 ( -13.559 19.554 -1.942) 23.874 8.480 ( 1.444 2.198 -1.682) 3.122 9.575 ( 2.070 -9.422 -1.681) 9.792 10.599 ( -12.060 13.547 -0.727) 18.152 11.458 ( -1.552 -9.421 -1.725) 9.703 12.386 ( 7.889 -5.978 3.124) 10.380 ======================= Grid point 376 (136/489) ======================= q-point: (-0.24 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.266 ( -5.768 -2.054 -0.771) 6.171 2.883 ( -16.305 6.526 0.489) 17.570 3.851 ( -11.380 11.378 1.987) 16.215 4.077 ( -3.075 -5.945 -7.265) 9.878 4.558 ( 5.611 -0.451 2.813) 6.293 5.206 ( -8.507 -7.828 2.154) 11.760 7.901 ( -10.914 17.996 0.074) 21.047 8.515 ( -2.734 7.818 -3.078) 8.836 9.370 ( -9.274 -20.198 -0.321) 22.228 10.590 ( -1.539 12.099 -4.367) 12.955 11.311 ( -6.162 -7.370 1.575) 9.735 12.477 ( 7.537 -4.107 2.248) 8.873 ======================= Grid point 377 (137/489) ======================= q-point: (-0.18 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.108 ( -10.365 -1.614 -0.478) 10.501 2.616 ( -20.476 2.925 0.795) 20.699 3.740 ( -12.952 7.517 0.378) 14.980 3.915 ( -7.549 -5.044 -3.975) 9.911 4.698 ( 9.092 0.954 1.960) 9.350 4.944 ( -14.810 -5.540 1.841) 15.919 7.915 ( -9.192 18.230 1.376) 20.462 8.508 ( -5.829 6.469 -4.502) 9.803 8.910 ( -16.257 -23.515 0.866) 28.601 10.728 ( 3.191 12.556 -10.190) 16.482 11.126 ( -6.697 -8.185 8.596) 13.628 12.571 ( 6.557 -2.568 0.729) 7.079 ======================= Grid point 378 (138/489) ======================= q-point: (-0.12 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( -14.816 -0.109 -0.136) 14.817 2.259 ( -22.992 -0.466 1.413) 23.040 3.573 ( -11.220 1.001 0.194) 11.266 3.683 ( -15.271 -0.776 -3.673) 15.726 4.626 ( -18.805 -0.842 1.900) 18.920 4.886 ( 10.609 1.077 2.542) 10.962 7.882 ( -9.623 -3.273 0.093) 10.164 8.287 ( -20.651 6.003 -3.686) 21.819 8.613 ( -1.841 -2.747 1.356) 3.574 10.685 ( -18.733 9.111 -4.573) 21.327 11.143 ( 14.429 -5.913 5.546) 16.551 12.648 ( 5.080 -1.812 -1.520) 5.603 ======================= Grid point 379 (139/489) ======================= q-point: (-0.06 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( -18.376 2.556 0.637) 18.564 1.849 ( -23.395 -2.652 1.889) 23.620 3.355 ( -23.272 3.941 -3.472) 23.857 3.395 ( -8.166 -3.512 1.733) 9.057 4.320 ( -20.102 5.299 1.429) 20.838 5.084 ( 10.565 0.193 2.715) 10.910 7.446 ( -13.888 -29.767 -3.054) 32.990 8.196 ( -16.836 32.441 -1.080) 36.566 8.611 ( 0.424 0.439 0.684) 0.916 10.383 ( -23.282 5.843 5.716) 24.675 11.390 ( 17.961 -4.758 -0.944) 18.605 12.692 ( 3.119 -1.840 -4.478) 5.758 ======================= Grid point 385 (140/489) ======================= q-point: ( 0.29 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( -0.000 13.882 6.965) 15.532 1.766 ( -0.000 16.675 8.255) 18.607 3.021 ( 0.000 5.378 -0.068) 5.378 3.222 ( 0.000 24.656 -5.449) 25.251 4.402 ( -0.000 23.581 3.999) 23.917 5.141 ( -0.000 -8.750 2.287) 9.044 6.776 ( 0.000 -2.441 -2.486) 3.484 8.602 ( 0.000 20.206 -4.066) 20.611 8.787 ( 0.000 18.778 1.176) 18.814 9.428 ( 0.000 3.987 -3.191) 5.107 11.692 ( -0.000 -11.685 2.170) 11.885 12.847 ( 0.000 0.410 -3.681) 3.704 ======================= Grid point 386 (141/489) ======================= q-point: ( 0.35 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( -0.928 12.429 4.405) 13.219 2.012 ( 7.277 15.632 5.722) 18.167 3.176 ( 9.867 6.895 1.787) 12.169 3.413 ( 0.152 17.798 -9.436) 20.145 4.653 ( 0.545 23.156 5.386) 23.780 5.063 ( -0.929 -7.502 4.210) 8.653 6.933 ( 20.979 -2.184 -2.955) 21.298 8.667 ( -18.949 26.974 -5.598) 33.437 8.773 ( -5.690 3.114 3.649) 7.442 9.745 ( 23.762 6.257 -3.917) 24.882 11.573 ( -2.974 -7.843 3.528) 9.100 12.792 ( -5.108 0.236 -3.830) 6.389 ======================= Grid point 387 (142/489) ======================= q-point: ( 0.41 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( 0.930 10.492 1.619) 10.657 2.340 ( 11.310 14.752 3.758) 18.964 3.460 ( 12.866 6.848 0.819) 14.597 3.517 ( 0.070 11.985 -10.264) 15.779 4.896 ( 0.412 19.803 5.499) 20.557 4.991 ( -1.421 -6.279 5.833) 8.687 7.377 ( 33.317 -2.195 -3.313) 33.553 8.491 ( -20.026 15.415 -1.039) 25.293 8.799 ( -3.932 11.894 -1.386) 12.603 10.158 ( 20.524 1.222 -4.535) 21.055 11.485 ( -2.954 -1.938 6.237) 7.168 12.667 ( -7.958 0.021 -3.925) 8.873 ======================= Grid point 388 (143/489) ======================= q-point: ( 0.47 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( 2.862 7.927 -0.395) 8.437 2.689 ( 11.321 14.075 2.401) 18.222 3.539 ( -0.250 5.526 -11.254) 12.540 3.791 ( 12.852 9.445 1.810) 16.052 4.918 ( -1.875 -5.893 6.304) 8.831 5.083 ( -0.350 13.616 4.123) 14.231 7.937 ( 33.610 -2.739 -2.377) 33.805 8.337 ( -11.672 11.184 -1.810) 16.266 8.834 ( -6.092 14.155 -2.799) 15.662 10.427 ( 12.914 -0.519 -4.556) 13.704 11.487 ( 0.244 1.836 8.606) 8.803 12.506 ( -8.663 -1.013 -3.787) 9.509 ======================= Grid point 389 (144/489) ======================= q-point: ( 0.53 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( 3.491 5.001 -1.472) 6.274 2.998 ( 7.671 13.738 1.505) 15.807 3.554 ( 2.115 2.272 -9.671) 10.157 4.087 ( 8.672 11.485 1.274) 14.447 4.846 ( -1.788 -6.658 6.663) 9.587 5.179 ( -0.616 5.969 1.719) 6.242 8.202 ( -3.967 6.703 4.180) 8.840 8.452 ( 16.462 -3.094 -10.548) 19.795 8.908 ( 2.497 15.667 -1.455) 15.931 10.596 ( 6.819 5.164 -3.055) 9.082 11.557 ( 2.624 0.022 8.576) 8.968 12.334 ( -7.437 -3.413 -3.308) 8.826 ======================= Grid point 390 (145/489) ======================= q-point: ( 0.59 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.283 ( 3.029 2.356 -1.674) 4.186 3.212 ( 1.053 13.131 1.007) 13.212 3.613 ( 6.947 0.312 -7.927) 10.545 4.297 ( 0.541 13.632 0.189) 13.644 4.768 ( -2.532 -6.197 6.371) 9.242 5.209 ( 2.481 -2.552 0.499) 3.594 8.234 ( -1.672 9.728 1.582) 9.997 8.472 ( -2.348 -4.830 -6.915) 8.755 9.217 ( 12.891 12.491 -2.151) 18.079 10.761 ( 3.675 11.651 -1.380) 12.294 11.595 ( 0.193 -3.748 5.909) 7.001 12.181 ( -2.712 -7.160 -1.740) 7.852 ======================= Grid point 391 (146/489) ======================= q-point: ( 0.65 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.335 ( 1.920 0.516 -1.348) 2.402 3.303 ( -4.237 11.073 0.863) 11.887 3.737 ( 9.354 0.162 -6.694) 11.503 4.370 ( -6.111 11.868 -0.376) 13.354 4.670 ( -5.873 -3.232 4.357) 7.995 5.236 ( 6.585 -8.188 1.276) 10.584 8.312 ( -8.233 6.171 -6.349) 12.090 8.365 ( 4.354 1.817 2.250) 5.227 9.475 ( 4.800 8.873 -2.158) 10.317 10.921 ( -0.918 14.379 0.407) 14.414 11.506 ( -4.731 -7.832 0.665) 9.174 12.120 ( 5.515 -9.290 1.236) 10.875 ======================= Grid point 392 (147/489) ======================= q-point: (-0.29 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.350 ( 0.147 -0.389 -0.930) 1.019 3.298 ( -8.033 8.451 0.743) 11.684 3.866 ( 7.611 -0.163 -5.653) 9.483 4.346 ( -8.770 9.918 -0.767) 13.262 4.539 ( -6.026 -3.431 3.254) 7.660 5.263 ( 4.795 -8.081 1.796) 9.567 8.173 ( -6.538 -0.595 -1.938) 6.845 8.544 ( 4.241 13.826 -1.467) 14.536 9.525 ( -3.927 0.513 -1.511) 4.238 10.953 ( -12.672 12.286 1.704) 17.732 11.358 ( 0.309 -9.321 -2.068) 9.553 12.179 ( 9.543 -7.200 2.013) 12.122 ======================= Grid point 393 (148/489) ======================= q-point: (-0.24 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.323 ( -2.632 -0.454 -0.648) 2.749 3.189 ( -12.699 4.453 0.403) 13.464 3.946 ( 3.852 -0.444 -4.976) 6.308 4.231 ( -14.331 6.676 -0.802) 15.830 4.485 ( 2.587 -2.600 3.909) 5.360 5.234 ( -1.476 -5.202 1.260) 5.552 8.085 ( -3.704 0.973 0.557) 3.870 8.736 ( -0.264 18.272 -3.800) 18.665 9.336 ( -10.855 -12.575 -0.692) 16.626 10.798 ( -12.523 5.975 -0.449) 13.882 11.313 ( -0.084 -3.801 0.967) 3.923 12.296 ( 9.616 -3.791 0.840) 10.370 ======================= Grid point 394 (149/489) ======================= q-point: (-0.18 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.244 ( -6.394 0.287 -0.522) 6.422 2.956 ( -17.137 -0.142 0.424) 17.143 3.935 ( -2.906 -2.841 -7.058) 8.145 4.032 ( -13.156 4.316 2.038) 13.995 4.574 ( 7.195 -0.145 4.440) 8.456 5.118 ( -8.619 -1.101 0.719) 8.719 8.056 ( -1.948 -0.371 1.725) 2.629 8.829 ( -7.214 9.999 -5.096) 13.342 8.949 ( -16.518 -8.569 -0.006) 18.608 10.724 ( 0.141 2.477 -2.166) 3.293 11.243 ( -7.019 -0.639 4.467) 8.344 12.424 ( 8.157 -1.331 -0.894) 8.313 ======================= Grid point 395 (150/489) ======================= q-point: (-0.12 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.108 ( -10.534 1.866 -0.546) 10.712 2.617 ( -20.478 -3.492 0.838) 20.790 3.731 ( -10.579 -6.759 -1.100) 12.602 3.901 ( -10.276 4.841 -4.390) 12.178 4.737 ( 9.313 0.545 5.534) 10.846 4.936 ( -14.363 4.003 1.004) 14.944 7.897 ( -10.190 -18.974 -0.600) 21.545 8.578 ( -4.407 -6.539 2.832) 8.379 8.850 ( -17.012 25.241 -5.187) 30.878 10.826 ( 11.120 -0.716 -4.086) 11.868 11.085 ( -14.178 1.142 8.240) 16.438 12.534 ( 6.167 -0.218 -2.952) 6.841 ======================= Grid point 396 (151/489) ======================= q-point: (-0.06 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( -14.264 4.199 -0.637) 14.882 2.212 ( -22.268 -4.488 1.346) 22.756 3.486 ( -8.821 -8.608 2.027) 12.491 3.717 ( -15.603 6.400 -6.796) 18.182 4.725 ( -17.681 8.723 1.715) 19.790 4.925 ( 9.601 0.213 5.772) 11.204 7.406 ( -15.201 -27.147 -2.251) 31.194 8.597 ( 2.604 2.383 2.517) 4.335 8.784 ( -17.757 27.119 -3.461) 32.600 10.843 ( -20.425 4.446 10.671) 23.470 11.028 ( 16.676 -5.423 -4.388) 18.076 12.606 ( 3.884 -0.180 -5.300) 6.574 ======================= Grid point 403 (152/489) ======================= q-point: ( 0.35 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( -0.000 10.492 2.613) 10.813 2.105 ( -0.000 13.661 3.795) 14.178 3.168 ( -0.000 7.715 4.626) 8.996 3.539 ( 0.000 13.703 -11.761) 18.058 4.895 ( -0.000 22.610 5.514) 23.272 5.023 ( -0.000 -5.527 5.548) 7.831 6.727 ( 0.000 -0.769 -2.845) 2.947 8.849 ( -0.000 6.408 1.324) 6.544 9.152 ( 0.000 17.547 0.470) 17.553 9.500 ( 0.000 5.693 -7.319) 9.272 11.544 ( -0.000 -4.594 3.446) 5.743 12.824 ( 0.000 -0.289 -3.541) 3.553 ======================= Grid point 404 (153/489) ======================= q-point: ( 0.41 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( -0.921 8.745 0.580) 8.812 2.310 ( 7.862 11.945 2.217) 14.471 3.342 ( 8.742 7.501 4.549) 12.384 3.601 ( -1.111 9.039 -11.967) 15.038 4.981 ( -1.217 -4.477 6.648) 8.107 5.122 ( -0.999 20.437 4.903) 21.040 6.889 ( 19.880 -0.398 -2.815) 20.083 8.819 ( -9.858 -0.892 5.597) 11.371 9.101 ( -12.796 20.479 -7.142) 25.182 9.805 ( 21.031 2.764 -3.730) 21.537 11.521 ( -1.109 -0.194 4.190) 4.339 12.767 ( -4.836 -0.321 -3.360) 5.897 ======================= Grid point 405 (154/489) ======================= q-point: ( 0.47 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( 0.315 7.021 -0.708) 7.064 2.604 ( 12.497 10.460 1.431) 16.359 3.557 ( 2.774 5.190 -7.700) 9.691 3.667 ( 8.598 6.877 0.184) 11.011 4.929 ( -2.528 -4.030 6.339) 7.926 5.281 ( -3.294 15.766 3.616) 16.507 7.329 ( 31.764 -0.738 -2.899) 31.905 8.612 ( -13.202 -0.237 4.885) 14.078 9.104 ( -7.721 17.400 -8.275) 20.757 10.150 ( 18.268 1.365 -1.396) 18.372 11.529 ( -0.890 1.913 5.075) 5.496 12.641 ( -8.257 -0.303 -3.082) 8.819 ======================= Grid point 406 (155/489) ======================= q-point: ( 0.53 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( 1.478 4.929 -1.292) 5.306 2.929 ( 13.192 9.239 0.983) 16.135 3.554 ( -1.517 3.020 -8.847) 9.470 3.965 ( 14.968 6.539 2.359) 16.504 4.855 ( -3.469 -4.571 5.664) 8.063 5.334 ( -6.266 9.829 1.526) 11.756 7.864 ( 31.405 -2.457 -2.946) 31.639 8.437 ( -8.347 0.768 2.490) 8.745 9.116 ( -5.799 14.793 -6.060) 17.005 10.459 ( 14.604 5.665 -0.612) 15.676 11.548 ( -0.073 -0.605 5.663) 5.695 12.466 ( -10.406 -0.833 -2.750) 10.795 ======================= Grid point 407 (156/489) ======================= q-point: ( 0.59 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.262 ( 1.850 2.800 -1.269) 3.588 3.224 ( 10.552 8.455 0.688) 13.539 3.536 ( 0.090 1.425 -6.235) 6.396 4.288 ( 13.244 7.886 0.956) 15.444 4.762 ( -3.055 -5.812 5.232) 8.395 5.274 ( -8.362 3.456 -0.339) 9.054 8.221 ( 12.095 -3.431 0.951) 12.608 8.378 ( 1.368 -0.107 -4.089) 4.313 9.221 ( 3.903 15.105 -2.279) 15.767 10.754 ( 10.131 11.457 -1.130) 15.336 11.543 ( 1.217 -6.123 5.892) 8.584 12.256 ( -11.286 -2.450 -2.389) 11.793 ======================= Grid point 408 (157/489) ======================= q-point: ( 0.65 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.308 ( 1.650 1.174 -0.883) 2.209 3.431 ( 1.969 8.420 1.302) 8.745 3.568 ( 6.785 -0.467 -5.057) 8.475 4.506 ( 0.215 5.997 -0.140) 6.003 4.724 ( 3.638 -0.855 4.554) 5.891 5.134 ( -6.412 -4.254 -1.000) 7.760 8.305 ( 2.036 -2.143 1.558) 3.342 8.385 ( 1.618 0.846 -4.510) 4.866 9.487 ( 8.301 12.929 -0.917) 15.392 11.001 ( 4.674 12.962 -1.425) 13.853 11.507 ( 0.533 -8.576 4.523) 9.710 12.039 ( -7.475 -5.486 -1.391) 9.376 ======================= Grid point 409 (158/489) ======================= q-point: (-0.29 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.336 ( 1.010 0.369 -0.481) 1.178 3.466 ( -3.971 4.238 0.733) 5.853 3.712 ( 9.053 1.443 -3.518) 9.819 4.465 ( -3.736 -1.370 1.699) 4.327 4.762 ( -11.773 8.990 0.150) 14.813 5.060 ( 8.858 -9.259 0.515) 12.824 8.242 ( -4.528 -1.674 -0.598) 4.865 8.503 ( 8.602 3.958 -1.358) 9.566 9.649 ( -2.209 6.923 -0.663) 7.298 11.156 ( 2.634 7.299 0.697) 7.791 11.370 ( -10.911 -4.563 -0.103) 11.827 11.962 ( 6.396 -5.998 0.540) 8.785 ======================= Grid point 410 (159/489) ======================= q-point: (-0.24 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( -0.345 0.405 -0.255) 0.590 3.388 ( -7.938 -0.491 0.255) 7.957 3.854 ( 6.062 2.816 -3.426) 7.511 4.422 ( -0.141 -1.290 3.050) 3.315 4.554 ( -15.154 0.404 0.061) 15.159 5.162 ( 6.120 -1.084 -0.118) 6.216 8.159 ( -4.551 0.954 1.402) 4.857 8.696 ( 10.432 0.814 -3.092) 10.911 9.533 ( -13.873 0.375 -0.424) 13.885 11.083 ( -16.485 -2.423 -1.047) 16.694 11.267 ( 3.750 2.877 2.588) 5.389 12.092 ( 10.950 -1.165 -0.375) 11.018 ======================= Grid point 411 (160/489) ======================= q-point: (-0.18 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.327 ( -2.749 1.159 -0.242) 2.993 3.186 ( -12.488 -4.913 0.115) 13.420 3.927 ( 0.303 1.833 -5.766) 6.057 4.285 ( -13.803 -1.917 2.378) 14.137 4.476 ( 5.241 -0.873 4.290) 6.829 5.214 ( -1.346 3.366 -0.753) 3.702 8.105 ( -4.436 -0.091 2.539) 5.112 8.744 ( 1.337 -15.800 -3.038) 16.145 9.320 ( -12.651 12.608 -2.151) 17.990 10.801 ( -10.750 -5.159 -0.250) 11.926 11.345 ( -0.863 4.804 4.279) 6.491 12.268 ( 9.444 1.577 -1.967) 9.775 ======================= Grid point 412 (161/489) ======================= q-point: (-0.12 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.270 ( -6.055 2.536 -0.460) 6.580 2.881 ( -16.176 -7.034 0.305) 17.642 3.809 ( -8.546 -8.132 -2.874) 12.142 4.102 ( -9.128 4.731 -3.650) 10.910 4.611 ( 8.336 -0.094 7.647) 11.312 5.181 ( -7.862 6.792 -0.272) 10.393 7.905 ( -12.465 -18.003 0.292) 21.899 8.562 ( -1.168 -6.856 1.879) 7.204 9.316 ( -10.404 21.282 -5.515) 24.323 10.648 ( 1.439 -9.029 0.902) 9.187 11.345 ( -7.866 6.916 5.342) 11.758 12.420 ( 7.025 2.265 -3.501) 8.169 ======================= Grid point 413 (162/489) ======================= q-point: (-0.06 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.168 ( -9.645 4.407 -0.954) 10.648 2.514 ( -18.818 -6.381 0.556) 19.878 3.543 ( -9.032 -11.647 1.498) 14.815 3.982 ( -10.801 7.524 -8.760) 15.811 4.787 ( 8.785 -0.208 8.550) 12.261 5.088 ( -12.485 9.640 1.188) 15.818 7.412 ( -16.065 -25.034 -1.281) 29.773 8.593 ( 2.299 3.925 3.120) 5.516 9.289 ( -14.572 20.621 -4.705) 25.684 10.673 ( 12.201 -11.750 0.929) 16.965 11.249 ( -14.469 8.913 5.742) 17.938 12.525 ( 4.478 1.779 -5.070) 6.994 ======================= Grid point 421 (163/489) ======================= q-point: ( 0.41 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( 0.000 6.704 -0.858) 6.758 2.348 ( 0.000 9.742 0.494) 9.755 3.361 ( -0.000 7.577 6.249) 9.821 3.646 ( 0.000 5.981 -11.497) 12.960 4.978 ( -0.000 -3.140 6.667) 7.369 5.342 ( -0.000 18.642 4.278) 19.127 6.709 ( 0.000 0.595 -2.255) 2.332 8.916 ( -0.000 -0.393 4.418) 4.435 9.471 ( 0.000 14.395 -0.008) 14.395 9.521 ( 0.000 1.454 -8.461) 8.585 11.555 ( -0.000 2.858 3.377) 4.424 12.794 ( 0.000 -0.572 -3.037) 3.091 ======================= Grid point 422 (164/489) ======================= q-point: ( 0.47 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.189 ( -0.532 5.300 -1.551) 5.548 2.511 ( 8.473 7.880 0.028) 11.571 3.506 ( 6.136 6.111 3.285) 9.262 3.654 ( -0.209 3.777 -7.752) 8.626 4.955 ( -1.794 -2.658 5.802) 6.629 5.499 ( -2.706 14.857 3.041) 15.404 6.878 ( 19.015 0.724 -1.804) 19.114 8.821 ( -10.451 -2.299 5.280) 11.933 9.349 ( -8.365 9.418 -8.033) 14.940 9.850 ( 18.666 4.126 -0.021) 19.116 11.592 ( -1.287 4.047 3.111) 5.264 12.740 ( -4.567 -0.423 -2.672) 5.308 ======================= Grid point 423 (165/489) ======================= q-point: ( 0.53 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.227 ( 0.179 4.024 -1.338) 4.244 2.772 ( 13.435 6.235 0.154) 14.812 3.588 ( -1.589 3.213 -6.333) 7.277 3.781 ( 12.144 3.494 2.531) 12.888 4.899 ( -3.627 -2.840 4.496) 6.437 5.551 ( -6.390 9.990 1.278) 11.928 7.309 ( 29.876 0.156 -1.591) 29.919 8.614 ( -11.622 -1.977 4.107) 12.484 9.302 ( -5.087 7.999 -6.653) 11.581 10.219 ( 19.183 5.038 1.050) 19.862 11.597 ( -3.027 1.904 3.021) 4.682 12.618 ( -8.328 -0.146 -2.229) 8.623 ======================= Grid point 424 (166/489) ======================= q-point: ( 0.59 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.264 ( 0.740 2.545 -0.788) 2.766 3.068 ( 14.319 4.591 0.173) 15.038 3.561 ( -2.085 2.182 -3.610) 4.706 4.070 ( 16.794 2.884 1.270) 17.087 4.806 ( -5.107 -3.388 3.139) 6.885 5.486 ( -10.081 5.218 -0.247) 11.354 7.815 ( 28.238 -0.892 -1.331) 28.283 8.442 ( -7.398 -1.243 2.054) 7.778 9.302 ( -0.956 7.413 -3.148) 8.110 10.605 ( 18.413 7.578 0.246) 19.913 11.537 ( -4.640 -2.923 3.057) 6.278 12.441 ( -11.522 -0.145 -1.800) 11.663 ======================= Grid point 425 (167/489) ======================= q-point: ( 0.65 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.296 ( 1.001 1.212 -0.219) 1.587 3.337 ( 12.842 2.754 -0.147) 13.134 3.544 ( -1.539 1.891 -0.679) 2.531 4.400 ( 17.588 3.094 -0.325) 17.861 4.686 ( -5.118 -4.274 2.267) 7.042 5.318 ( -13.030 1.518 -0.898) 13.149 8.174 ( 13.974 -0.862 -0.367) 14.005 8.361 ( -1.400 -0.389 0.400) 1.507 9.425 ( 8.115 6.124 -0.520) 10.180 10.981 ( 14.830 10.459 -1.551) 18.213 11.409 ( -3.945 -9.229 3.331) 10.575 12.215 ( -13.925 -0.356 -1.309) 13.991 ======================= Grid point 426 (168/489) ======================= q-point: (-0.29 -0.59 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( 1.105 0.464 0.168) 1.210 3.515 ( 2.095 -2.472 -1.911) 3.762 3.575 ( 6.984 4.688 2.860) 8.885 4.536 ( -5.679 -0.320 -1.009) 5.776 4.741 ( 17.061 -2.759 0.528) 17.291 5.083 ( -14.936 1.113 -0.306) 14.980 8.272 ( 1.028 -0.683 -1.431) 1.890 8.407 ( 4.323 2.289 2.212) 5.368 9.629 ( 8.870 0.556 0.235) 8.890 11.209 ( -3.628 5.418 -1.194) 6.629 11.335 ( 10.250 -7.366 0.993) 12.661 11.982 ( -11.312 0.906 -0.267) 11.352 ======================= Grid point 427 (169/489) ======================= q-point: (-0.24 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( 0.899 0.489 0.312) 1.070 3.455 ( -3.636 -5.044 -0.391) 6.230 3.767 ( 8.169 3.996 1.912) 9.293 4.443 ( -3.589 -0.416 -0.564) 3.657 4.752 ( -9.390 -10.766 -0.652) 14.301 5.054 ( 6.867 8.773 -0.114) 11.141 8.260 ( -2.923 2.930 0.930) 4.242 8.515 ( 6.507 -2.038 0.093) 6.820 9.660 ( -2.316 -5.757 0.391) 6.217 11.150 ( -1.152 -7.453 -0.035) 7.542 11.366 ( -4.952 3.514 -0.315) 6.080 11.954 ( 4.716 5.371 -0.244) 7.151 ======================= Grid point 428 (170/489) ======================= q-point: (-0.18 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.361 ( -0.077 1.150 0.223) 1.174 3.288 ( -7.784 -8.764 -0.271) 11.725 3.916 ( 3.394 3.132 -0.633) 4.661 4.411 ( 0.124 -3.678 5.141) 6.322 4.472 ( -10.498 -4.520 -2.911) 11.794 5.235 ( 4.265 7.370 -1.098) 8.586 8.229 ( -7.002 3.044 3.677) 8.475 8.529 ( 4.381 -14.013 -3.013) 14.988 9.537 ( -5.166 1.066 -0.299) 5.283 10.929 ( -11.508 -11.254 -0.847) 16.118 11.410 ( 1.465 8.064 3.110) 8.766 12.140 ( 8.602 6.166 -1.838) 10.742 ======================= Grid point 429 (171/489) ======================= q-point: (-0.12 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.361 ( -2.106 2.238 -0.112) 3.075 3.029 ( -11.235 -9.977 -0.106) 15.026 3.855 ( -7.416 -8.635 -2.067) 11.569 4.274 ( -7.347 3.521 -3.533) 8.881 4.498 ( 6.993 -0.778 7.104) 9.998 5.331 ( -1.368 7.883 -0.852) 8.046 7.963 ( -15.514 -20.154 1.005) 25.453 8.503 ( 3.944 -0.381 0.759) 4.034 9.555 ( -1.006 11.443 -3.559) 12.026 10.619 ( -9.272 -12.976 1.083) 15.985 11.516 ( -1.316 8.831 4.093) 9.822 12.324 ( 7.068 5.176 -2.984) 9.255 ======================= Grid point 430 (172/489) ======================= q-point: (-0.06 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.329 ( -4.987 3.606 -0.753) 6.200 2.723 ( -13.906 -8.096 -0.060) 16.091 3.578 ( -9.276 -13.678 0.998) 16.557 4.188 ( -8.261 8.035 -10.057) 15.296 4.664 ( 8.929 -0.692 10.503) 13.803 5.343 ( -6.428 8.623 0.378) 10.762 7.444 ( -16.395 -24.519 -0.543) 29.500 8.616 ( 2.937 7.395 3.134) 8.552 9.621 ( -5.746 13.521 -5.764) 15.782 10.416 ( 2.073 -14.682 1.665) 14.921 11.544 ( -7.571 9.131 4.926) 12.844 12.458 ( 4.772 3.594 -3.948) 7.161 ======================= Grid point 439 (173/489) ======================= q-point: ( 0.47 0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.233 ( 0.000 3.755 -1.856) 4.189 2.500 ( 0.000 5.916 -0.580) 5.944 3.520 ( -0.000 4.849 3.952) 6.255 3.668 ( 0.000 2.786 -6.350) 6.934 4.965 ( -0.000 -2.137 4.581) 5.055 5.665 ( -0.000 11.806 2.097) 11.991 6.717 ( 0.000 1.114 -0.956) 1.469 8.915 ( -0.000 -2.127 4.049) 4.573 9.474 ( 0.000 -0.910 -5.078) 5.159 9.708 ( 0.000 9.511 -0.061) 9.511 11.659 ( -0.000 4.803 2.187) 5.277 12.766 ( 0.000 -0.413 -2.325) 2.361 ======================= Grid point 440 (174/489) ======================= q-point: ( 0.53 0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( -0.149 2.815 -1.067) 3.015 2.625 ( 8.775 4.049 -0.415) 9.673 3.612 ( 3.239 3.664 -0.001) 4.890 3.674 ( 1.639 1.268 -1.460) 2.535 4.939 ( -2.188 -2.079 3.008) 4.261 5.733 ( -3.901 7.547 0.654) 8.520 6.889 ( 18.438 0.888 -0.297) 18.462 8.802 ( -10.491 -2.343 3.299) 11.244 9.410 ( -3.696 2.495 -3.734) 5.816 9.952 ( 16.356 4.532 0.858) 16.994 11.684 ( -2.670 3.110 1.682) 4.431 12.720 ( -4.322 -0.051 -1.900) 4.721 ======================= Grid point 441 (175/489) ======================= q-point: ( 0.59 0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( 0.088 1.751 -0.034) 1.754 2.854 ( 13.866 2.148 -0.132) 14.032 3.621 ( -2.798 2.560 -0.306) 3.804 3.828 ( 13.098 0.287 0.249) 13.104 4.869 ( -4.305 -2.106 1.287) 4.962 5.684 ( -7.859 3.257 -0.621) 8.530 7.312 ( 28.758 0.495 0.265) 28.763 8.595 ( -11.125 -1.811 1.787) 11.413 9.378 ( -2.643 3.326 -1.033) 4.372 10.310 ( 20.759 2.531 0.651) 20.922 11.632 ( -5.953 0.112 1.246) 6.083 12.608 ( -8.266 0.365 -1.456) 8.401 ======================= Grid point 442 (176/489) ======================= q-point: (-0.35 -0.53 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.294 ( 0.391 0.532 0.649) 0.926 3.112 ( 14.613 -0.068 -0.202) 14.615 3.602 ( -2.479 2.287 2.711) 4.328 4.093 ( 17.934 -0.764 -0.656) 17.963 4.763 ( -5.946 -1.762 -0.471) 6.220 5.534 ( -11.017 0.014 -1.119) 11.074 7.815 ( 27.225 0.791 1.186) 27.263 8.427 ( -6.768 -0.886 0.502) 6.845 9.385 ( 0.655 1.838 1.358) 2.377 10.691 ( 21.718 -0.113 -0.236) 21.720 11.498 ( -8.733 -1.544 0.507) 8.883 12.438 ( -11.805 0.709 -0.983) 11.867 ======================= Grid point 443 (177/489) ======================= q-point: (-0.29 -0.53 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.308 ( 0.886 -0.317 0.937) 1.328 3.330 ( 12.220 -3.050 -0.705) 12.615 3.603 ( -1.204 2.392 5.223) 5.870 4.394 ( 18.929 -3.447 -1.059) 19.269 4.639 ( -6.564 -0.081 -2.440) 7.003 5.321 ( -12.360 -0.881 -0.579) 12.405 8.172 ( 10.591 0.296 -0.785) 10.624 8.392 ( 2.964 2.947 3.767) 5.627 9.447 ( 6.994 -4.363 1.720) 8.420 11.000 ( 17.329 -9.392 0.263) 19.712 11.354 ( -6.774 4.623 -2.138) 8.475 12.227 ( -13.603 2.018 -0.109) 13.753 ======================= Grid point 444 (178/489) ======================= q-point: (-0.24 -0.53 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.327 ( 1.476 -0.402 0.954) 1.803 3.407 ( 2.435 -7.759 -1.067) 8.202 3.684 ( 5.885 3.249 6.683) 9.480 4.506 ( -2.747 -4.518 -0.423) 5.304 4.621 ( 7.106 -3.774 -5.494) 9.743 5.151 ( -6.292 3.908 0.720) 7.442 8.244 ( 3.720 -0.826 -3.789) 5.374 8.516 ( -0.559 4.960 7.857) 9.309 9.508 ( 8.157 -12.233 1.161) 14.749 11.034 ( 3.805 -14.072 1.884) 14.698 11.404 ( 2.482 7.172 -5.777) 9.538 12.066 ( -8.192 6.534 1.325) 10.562 ======================= Grid point 445 (179/489) ======================= q-point: (-0.18 -0.53 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( 1.655 0.204 0.772) 1.838 3.289 ( -4.058 -11.088 -0.437) 11.815 3.856 ( 6.968 1.771 5.148) 8.842 4.398 ( -2.925 -8.682 2.502) 9.497 4.556 ( -5.223 -1.404 -7.068) 8.899 5.224 ( 5.008 7.353 0.013) 8.897 8.304 ( 6.196 -3.441 -3.828) 8.055 8.438 ( -11.701 -3.966 6.140) 13.796 9.515 ( 4.909 -6.294 1.823) 8.187 10.919 ( -2.823 -14.566 0.198) 14.838 11.470 ( 1.204 6.856 -2.829) 7.514 12.114 ( 2.634 9.349 0.638) 9.733 ======================= Grid point 446 (180/489) ======================= q-point: (-0.12 0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.388 ( 0.889 1.166 0.376) 1.514 3.074 ( -7.061 -12.186 -0.186) 14.085 3.869 ( -4.861 -9.550 -0.012) 10.716 4.332 ( 3.743 -3.623 7.966) 9.518 4.471 ( -3.907 4.793 -7.213) 9.501 5.378 ( 3.976 6.802 -0.548) 7.898 8.009 ( -15.112 -26.116 0.869) 30.186 8.460 ( 4.704 8.382 -0.056) 9.612 9.594 ( 4.199 4.617 0.858) 6.299 10.651 ( -9.540 -15.914 -0.170) 18.556 11.590 ( 3.421 8.191 0.445) 8.888 12.274 ( 5.137 7.614 -0.742) 9.215 ======================= Grid point 447 (181/489) ======================= q-point: (-0.06 0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.405 ( -0.965 2.209 -0.283) 2.427 2.827 ( -8.753 -9.886 -0.129) 13.205 3.596 ( -9.278 -15.187 0.390) 17.801 4.360 ( -6.062 8.307 -10.068) 14.391 4.533 ( 8.823 -1.480 10.321) 13.659 5.475 ( -0.230 6.366 0.052) 6.370 7.474 ( -15.735 -25.439 -0.136) 29.912 8.646 ( 5.178 10.590 1.442) 11.876 9.719 ( 2.826 7.661 -2.986) 8.694 10.333 ( -8.133 -16.097 1.151) 18.071 11.707 ( -0.142 7.763 2.023) 8.024 12.414 ( 4.106 5.081 -1.619) 6.731 ======================= Grid point 457 (182/489) ======================= q-point: ( 0.53 0.53 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.280 ( 0.000 1.822 -0.058) 1.823 2.577 ( 0.000 2.201 -0.311) 2.223 3.588 ( 0.000 0.766 -0.434) 0.881 3.694 ( 0.000 2.115 0.144) 2.120 4.946 ( -0.000 -1.828 1.303) 2.245 5.823 ( 0.000 3.632 -0.467) 3.662 6.735 ( -0.000 0.688 0.556) 0.884 8.892 ( -0.000 -2.045 1.912) 2.800 9.450 ( -0.000 0.641 0.087) 0.646 9.836 ( 0.000 3.361 0.204) 3.368 11.739 ( -0.000 1.711 0.976) 1.970 12.752 ( 0.000 0.259 -1.545) 1.567 ======================= Grid point 458 (183/489) ======================= q-point: (-0.41 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.293 ( -0.158 0.754 1.096) 1.340 2.666 ( 8.756 0.229 -0.030) 8.759 3.642 ( 7.146 -1.042 -2.355) 7.596 3.699 ( -2.269 1.969 3.440) 4.567 4.910 ( -2.335 -1.658 -0.541) 2.914 5.799 ( -4.142 -0.555 -1.618) 4.481 6.904 ( 18.293 0.309 1.189) 18.334 8.774 ( -10.403 -1.658 0.566) 10.550 9.450 ( -2.017 2.448 2.617) 4.111 10.001 ( 15.511 -0.348 0.391) 15.520 11.716 ( -3.449 -0.809 0.370) 3.562 12.716 ( -4.223 0.712 -1.169) 4.439 ======================= Grid point 459 (184/489) ======================= q-point: (-0.35 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.295 ( -0.114 -0.718 1.619) 1.774 2.854 ( 13.628 -2.129 -0.128) 13.794 3.688 ( -2.995 2.046 6.531) 7.470 3.797 ( 13.864 -2.349 -2.816) 14.341 4.833 ( -4.324 -1.128 -2.442) 5.092 5.669 ( -7.445 -3.951 -2.168) 8.703 7.329 ( 29.075 0.451 1.915) 29.141 8.570 ( -10.758 -0.955 -0.623) 10.818 9.439 ( -3.249 1.402 5.060) 6.175 10.302 ( 20.760 -3.402 -0.202) 21.038 11.615 ( -6.289 -2.175 -0.536) 6.676 12.615 ( -8.242 1.026 -0.799) 8.344 ======================= Grid point 460 (185/489) ======================= q-point: (-0.29 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.289 ( 0.531 -2.001 1.636) 2.639 3.061 ( 14.180 -4.959 -0.496) 15.031 3.681 ( -2.820 1.763 8.507) 9.133 4.036 ( 17.885 -3.979 -2.159) 18.449 4.734 ( -5.377 0.441 -4.299) 6.898 5.469 ( -9.081 -5.646 -1.897) 10.860 7.853 ( 27.905 1.747 2.261) 28.051 8.421 ( -4.755 0.128 0.048) 4.757 9.388 ( -3.374 -4.304 5.549) 7.791 10.600 ( 19.347 -7.418 -0.298) 20.723 11.483 ( -6.144 -0.063 -2.423) 6.605 12.457 ( -11.219 1.653 -0.163) 11.341 ======================= Grid point 461 (186/489) ======================= q-point: (-0.24 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.290 ( 1.739 -2.441 1.471) 3.339 3.208 ( 10.165 -8.866 -0.853) 13.516 3.691 ( -0.335 1.353 9.463) 9.565 4.264 ( 14.638 -8.377 -1.480) 16.930 4.649 ( -4.388 3.755 -6.335) 8.573 5.268 ( -6.930 -4.166 -0.849) 8.131 8.161 ( 5.164 0.141 -3.970) 6.515 8.523 ( 11.479 5.264 9.220) 15.636 9.272 ( 0.271 -14.843 2.913) 15.128 10.776 ( 11.237 -10.726 1.081) 15.572 11.426 ( -0.615 3.328 -5.899) 6.801 12.291 ( -10.622 4.014 1.216) 11.420 ======================= Grid point 462 (187/489) ======================= q-point: (-0.18 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.313 ( 2.914 -1.931 1.229) 3.706 3.194 ( 1.442 -13.242 -0.723) 13.340 3.779 ( 5.263 0.714 8.800) 10.279 4.297 ( 2.698 -13.603 0.129) 13.868 4.619 ( -2.957 5.700 -8.637) 10.762 5.205 ( 2.404 0.938 0.123) 2.583 8.172 ( 1.723 -5.196 -3.974) 6.765 8.630 ( -9.205 -1.465 8.128) 12.367 9.267 ( 15.457 -9.164 2.929) 18.206 10.787 ( 2.240 -11.168 1.175) 11.451 11.462 ( 3.230 2.715 -7.222) 8.365 12.224 ( -4.074 7.689 2.497) 9.052 ======================= Grid point 463 (188/489) ======================= q-point: (-0.12 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( 3.276 -0.866 0.854) 3.495 3.030 ( -3.218 -14.703 -0.244) 15.053 3.833 ( -1.372 -8.803 2.578) 9.275 4.218 ( 4.837 -7.706 6.944) 11.446 4.585 ( -4.658 6.902 -9.803) 12.862 5.327 ( 7.511 3.104 -0.163) 8.129 7.967 ( -10.280 -24.857 0.181) 26.899 8.509 ( -1.372 5.645 -0.543) 5.835 9.512 ( 11.773 3.106 5.236) 13.254 10.628 ( -6.328 -13.828 -0.705) 15.224 11.557 ( 6.631 3.689 -4.380) 8.762 12.299 ( 1.516 8.159 2.200) 8.586 ======================= Grid point 475 (189/489) ======================= q-point: (-0.41 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( -0.000 -0.424 2.183) 2.224 2.582 ( -0.000 -1.735 0.214) 1.749 3.545 ( 0.000 -3.318 -4.730) 5.778 3.757 ( -0.000 2.096 6.636) 6.959 4.910 ( 0.000 -1.438 -2.446) 2.837 5.800 ( 0.000 -4.914 -2.804) 5.658 6.748 ( -0.000 -0.160 1.828) 1.835 8.863 ( 0.000 -1.214 -0.914) 1.520 9.510 ( -0.000 3.468 5.963) 6.898 9.839 ( -0.000 -3.329 0.483) 3.364 11.726 ( 0.000 -3.271 -0.334) 3.288 12.758 ( 0.000 1.180 -0.884) 1.474 ======================= Grid point 476 (190/489) ======================= q-point: (-0.35 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.293 ( -0.515 -2.260 2.395) 3.333 2.630 ( 8.453 -4.057 0.083) 9.376 3.557 ( 8.082 -4.651 -5.129) 10.642 3.783 ( -2.128 1.914 9.392) 9.818 4.868 ( -2.155 -0.928 -4.354) 4.946 5.691 ( -3.466 -8.666 -3.519) 9.975 6.915 ( 18.590 -0.310 2.269) 18.730 8.747 ( -10.197 -0.534 -2.042) 10.413 9.535 ( -3.530 1.582 8.721) 9.540 9.946 ( 15.602 -4.719 0.219) 16.301 11.655 ( -2.923 -4.904 -1.291) 5.853 12.732 ( -4.326 1.457 -0.644) 4.610 ======================= Grid point 477 (191/489) ======================= q-point: (-0.29 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.260 ( -0.110 -4.252 1.986) 4.694 2.765 ( 12.991 -6.918 -0.644) 14.732 3.693 ( 14.115 -5.067 -1.888) 15.115 3.787 ( -2.348 0.889 9.546) 9.871 4.798 ( -3.544 0.521 -5.947) 6.942 5.502 ( -5.454 -11.019 -3.564) 12.801 7.353 ( 30.387 0.456 2.661) 30.506 8.552 ( -10.347 0.036 -2.108) 10.560 9.461 ( -6.600 -5.795 9.230) 12.741 10.214 ( 19.076 -3.777 0.640) 19.457 11.539 ( -4.014 -4.293 -2.925) 6.565 12.638 ( -8.146 1.610 -0.259) 8.308 ======================= Grid point 478 (192/489) ======================= q-point: (-0.24 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( 1.542 -5.397 1.595) 5.836 2.908 ( 13.210 -10.189 -1.104) 16.719 3.758 ( -2.715 -1.297 11.896) 12.270 3.917 ( 16.303 -6.316 -2.482) 17.659 4.732 ( -3.646 3.382 -6.891) 8.498 5.288 ( -4.830 -11.136 -2.995) 12.502 7.903 ( 28.044 2.182 0.818) 28.141 8.429 ( -1.172 -0.196 1.637) 2.023 9.245 ( -9.537 -15.343 6.820) 19.310 10.486 ( 15.168 -2.655 2.240) 15.561 11.435 ( -2.172 -2.581 -5.791) 6.702 12.500 ( -9.732 2.474 0.756) 10.070 ======================= Grid point 479 (193/489) ======================= q-point: (-0.18 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.225 ( 3.753 -5.239 1.357) 6.586 2.971 ( 8.017 -14.520 -1.175) 16.628 3.756 ( 0.807 -1.977 10.659) 10.871 4.062 ( 9.783 -10.850 -1.342) 14.671 4.703 ( -2.826 6.414 -7.797) 10.485 5.143 ( 1.083 -7.664 -1.764) 7.938 8.116 ( -0.402 -3.148 -4.218) 5.278 8.667 ( 15.456 1.046 10.820) 18.896 8.936 ( -0.137 -18.022 1.250) 18.066 10.662 ( 5.901 -1.549 3.661) 7.115 11.382 ( 2.152 -3.055 -8.971) 9.718 12.391 ( -6.949 4.760 2.471) 8.778 ======================= Grid point 480 (194/489) ======================= q-point: (-0.12 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.262 ( 5.396 -4.061 1.117) 6.846 2.886 ( 1.625 -17.428 -0.728) 17.519 3.773 ( -0.149 -7.890 4.661) 9.165 4.061 ( 6.012 -9.315 4.256) 11.875 4.694 ( -3.545 7.484 -9.175) 12.359 5.184 ( 9.274 -2.909 -0.721) 9.746 7.906 ( -9.872 -21.466 0.147) 23.627 8.578 ( -4.308 -1.779 -1.442) 4.878 9.254 ( 23.825 1.174 7.131) 24.897 10.645 ( -6.431 -3.345 1.368) 7.377 11.410 ( 8.392 -3.077 -7.931) 11.950 12.386 ( -1.758 6.552 3.653) 7.705 ======================= Grid point 493 (195/489) ======================= q-point: (-0.35 -0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.276 ( -0.000 -4.173 2.491) 4.860 2.505 ( -0.000 -6.371 -0.148) 6.373 3.411 ( 0.000 -6.067 -6.902) 9.189 3.850 ( -0.000 0.640 12.168) 12.185 4.862 ( 0.000 -0.383 -6.162) 6.174 5.599 ( 0.000 -12.905 -4.443) 13.649 6.753 ( -0.000 -0.663 2.582) 2.666 8.836 ( 0.000 0.000 -3.448) 3.448 9.649 ( -0.000 4.126 12.107) 12.791 9.713 ( -0.000 -9.689 0.461) 9.700 11.615 ( 0.000 -6.568 -2.279) 6.952 12.784 ( 0.000 1.797 -0.565) 1.884 ======================= Grid point 494 (196/489) ======================= q-point: (-0.29 -0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.222 ( -0.788 -6.610 1.760) 6.885 2.499 ( 8.015 -9.201 -1.189) 12.260 3.412 ( 9.677 -6.084 -5.386) 12.636 3.869 ( -2.153 -1.668 13.302) 13.577 4.828 ( -1.612 1.232 -7.294) 7.571 5.421 ( -2.253 -15.843 -4.710) 16.681 6.924 ( 19.194 -0.319 2.695) 19.385 8.730 ( -9.847 0.661 -3.700) 10.540 9.519 ( -6.348 -11.564 7.818) 15.334 9.905 ( 15.731 0.509 6.504) 17.030 11.525 ( -1.871 -5.895 -3.754) 7.235 12.762 ( -4.453 1.833 -0.445) 4.836 ======================= Grid point 495 (197/489) ======================= q-point: (-0.24 -0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( 0.543 -8.620 1.090) 8.705 2.570 ( 12.542 -12.100 -2.059) 17.548 3.566 ( 15.552 -5.969 -2.427) 16.834 3.829 ( -3.155 -4.974 12.202) 13.550 4.796 ( -2.279 4.179 -7.125) 8.569 5.198 ( -2.544 -17.007 -4.575) 17.795 7.382 ( 31.794 0.979 2.403) 31.899 8.544 ( -10.428 0.356 -2.027) 10.629 9.258 ( -9.001 -20.095 6.890) 23.072 10.227 ( 17.063 2.307 6.884) 18.543 11.421 ( -2.700 -4.072 -6.083) 7.802 12.672 ( -7.703 1.886 0.171) 7.932 ======================= Grid point 496 (198/489) ======================= q-point: (-0.18 -0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.093 ( 3.633 -9.174 0.902) 9.908 2.645 ( 11.919 -15.514 -2.050) 19.671 3.738 ( 6.333 -7.741 4.471) 10.955 3.780 ( 6.168 -7.096 4.934) 10.618 4.790 ( -2.443 7.015 -6.548) 9.902 5.002 ( 1.059 -15.370 -3.954) 15.905 7.944 ( 25.100 1.726 -1.200) 25.188 8.411 ( 1.315 -5.111 5.167) 7.386 8.890 ( -9.976 -21.196 2.545) 23.564 10.547 ( 13.125 4.200 7.969) 15.919 11.308 ( -2.786 -4.606 -9.722) 11.113 12.561 ( -7.644 2.747 1.744) 8.308 ======================= Grid point 497 (199/489) ======================= q-point: (-0.12 -0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( 6.839 -8.122 0.948) 10.660 2.628 ( 6.777 -19.255 -1.572) 20.473 3.708 ( 0.192 -9.203 4.194) 10.115 3.858 ( 8.562 -9.269 3.887) 13.204 4.799 ( -3.107 8.126 -7.216) 11.303 4.952 ( 9.688 -10.162 -2.327) 14.231 7.891 ( -12.152 -20.256 0.653) 23.630 8.602 ( -1.783 -4.498 -2.069) 5.262 8.794 ( 29.805 -2.078 6.383) 30.551 10.763 ( 0.032 7.286 7.985) 10.810 11.191 ( 3.559 -9.269 -12.641) 16.074 12.502 ( -4.046 4.304 3.752) 6.998 ======================= Grid point 511 (200/489) ======================= q-point: (-0.29 -0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.158 ( -0.000 -9.113 0.833) 9.151 2.319 ( 0.000 -11.887 -2.522) 12.152 3.244 ( 0.000 -6.289 -5.239) 8.185 3.895 ( -0.000 -5.985 13.353) 14.633 4.838 ( 0.000 3.257 -7.474) 8.153 5.249 ( 0.000 -19.145 -4.909) 19.764 6.758 ( -0.000 -0.389 2.647) 2.675 8.818 ( 0.000 0.640 -4.751) 4.794 9.471 ( -0.000 -14.866 0.005) 14.866 9.785 ( -0.000 -1.377 17.477) 17.531 11.477 ( 0.000 -3.851 -4.790) 6.146 12.818 ( 0.000 1.946 -0.679) 2.061 ======================= Grid point 512 (201/489) ======================= q-point: (-0.24 -0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( -0.584 -11.596 -0.175) 11.612 2.249 ( 8.043 -14.453 -3.821) 16.976 3.269 ( 10.741 -5.476 -2.525) 12.317 3.833 ( -1.701 -11.211 10.805) 15.662 4.853 ( -0.992 6.113 -5.936) 8.579 5.025 ( -1.155 -20.599 -4.773) 21.177 6.941 ( 19.999 0.469 2.355) 20.142 8.723 ( -9.051 1.038 -3.926) 9.920 9.213 ( -8.889 -21.625 3.789) 23.686 9.975 ( 16.300 -2.938 13.740) 21.520 11.423 ( -2.277 0.150 -6.006) 6.425 12.795 ( -4.433 1.781 -0.572) 4.812 ======================= Grid point 513 (202/489) ======================= q-point: (-0.18 -0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( 2.183 -13.084 -0.434) 13.272 2.266 ( 12.333 -16.691 -3.611) 21.065 3.440 ( 14.522 -5.750 -0.272) 15.622 3.710 ( -0.514 -14.182 7.932) 16.258 4.793 ( 0.571 -20.599 -4.675) 21.131 4.887 ( -2.057 8.668 -4.352) 9.915 7.425 ( 32.796 2.173 1.513) 32.903 8.512 ( -14.333 -6.086 1.379) 15.632 8.832 ( -7.719 -21.984 1.424) 23.344 10.304 ( 19.860 -2.926 10.529) 22.668 11.351 ( -6.017 3.017 -7.661) 10.198 12.711 ( -6.809 1.714 0.564) 7.044 ======================= Grid point 514 (203/489) ======================= q-point: (-0.12 -0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( 6.880 -12.518 0.021) 14.284 2.278 ( 10.478 -19.900 -2.645) 22.645 3.576 ( 7.083 -8.895 -0.298) 11.374 3.632 ( 6.197 -12.946 6.708) 15.843 4.653 ( 7.953 -16.879 -3.697) 19.021 4.920 ( -3.207 9.334 -4.365) 10.792 7.883 ( -0.741 -12.479 -0.050) 12.501 8.238 ( 19.314 -11.587 6.334) 23.397 8.630 ( -2.546 -3.614 -2.161) 4.921 10.628 ( 19.028 -5.317 6.762) 20.882 11.212 ( -11.615 4.426 -8.570) 15.098 12.627 ( -5.383 2.416 2.915) 6.582 ======================= Grid point 529 (204/489) ======================= q-point: (-0.24 -0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( 0.000 -14.120 -1.739) 14.226 2.007 ( 0.000 -16.769 -5.824) 17.752 3.116 ( 0.000 -4.513 -0.691) 4.566 3.729 ( -0.000 -18.248 6.947) 19.526 4.800 ( 0.000 -21.437 -3.809) 21.773 4.928 ( 0.000 7.904 -3.691) 8.723 6.775 ( -0.000 0.572 1.948) 2.030 8.784 ( 0.000 -2.017 -4.192) 4.652 9.140 ( -0.000 -18.189 -0.742) 18.204 9.772 ( -0.000 -12.053 19.108) 22.592 11.459 ( 0.000 6.165 -5.449) 8.228 12.848 ( 0.000 1.673 -1.206) 2.063 ======================= Grid point 530 (205/489) ======================= q-point: (-0.18 -0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( 0.219 -16.533 -2.820) 16.773 1.897 ( 8.696 -17.763 -5.619) 20.560 3.174 ( 10.336 -3.795 1.478) 11.109 3.542 ( 0.895 -22.911 3.523) 23.197 4.564 ( -0.371 -22.460 -3.654) 22.759 5.001 ( -1.383 10.305 -1.675) 10.531 6.975 ( 21.084 1.863 1.301) 21.207 8.706 ( -6.958 -1.314 -2.762) 7.601 8.754 ( -14.599 -26.578 2.714) 30.445 9.913 ( 20.101 -11.736 13.167) 26.742 11.491 ( -4.219 10.240 -5.039) 12.167 12.821 ( -4.185 1.300 -0.940) 4.482 ======================= Grid point 531 (206/489) ======================= q-point: (-0.12 -0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 5.198 -16.917 -2.127) 17.825 1.882 ( 11.520 -19.461 -3.937) 22.955 3.328 ( 10.233 -10.221 2.848) 14.741 3.390 ( 7.284 -17.330 1.149) 18.834 4.354 ( 3.515 -20.671 -3.464) 21.252 5.062 ( -3.078 10.398 -1.484) 10.945 7.490 ( 32.964 3.826 0.282) 33.187 8.131 ( -20.669 -30.164 4.978) 36.903 8.637 ( -1.775 -1.828 -1.999) 3.239 10.196 ( 21.638 -12.711 5.764) 25.748 11.470 ( -9.606 12.141 -3.913) 15.969 12.745 ( -5.416 1.141 1.144) 5.652 ======================= Grid point 547 (207/489) ======================= q-point: (-0.18 -0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( 0.000 -18.156 -4.464) 18.697 1.605 ( 0.000 -19.284 -7.446) 20.671 3.060 ( -0.000 -2.212 3.582) 4.210 3.272 ( -0.000 -29.936 0.164) 29.936 4.338 ( 0.000 -22.384 -2.784) 22.556 5.118 ( 0.000 11.038 0.171) 11.039 6.807 ( -0.000 1.854 0.601) 1.949 8.630 ( -0.000 -13.514 -0.855) 13.541 8.761 ( -0.000 -19.283 -1.382) 19.332 9.619 ( -0.000 -12.147 15.717) 19.863 11.636 ( 0.000 13.763 -3.628) 14.233 12.864 ( 0.000 0.993 -2.075) 2.300 ======================= Grid point 548 (208/489) ======================= q-point: (-0.12 -0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( 1.751 -20.238 -5.334) 21.003 1.500 ( 9.144 -18.777 -5.411) 21.575 2.995 ( 5.200 -31.841 -0.665) 32.270 3.143 ( 9.030 -2.182 3.714) 10.005 4.110 ( 0.136 -21.376 -2.750) 21.553 5.210 ( -2.035 10.703 0.471) 10.905 7.032 ( 22.727 3.570 -0.253) 23.008 8.221 ( -21.254 -29.051 3.191) 36.137 8.607 ( 1.157 -8.250 -1.326) 8.436 9.747 ( 17.610 -10.589 9.517) 22.645 11.723 ( -5.335 14.691 -2.660) 15.854 12.832 ( -3.574 0.459 -1.316) 3.836 ======================= Grid point 565 (209/489) ======================= q-point: (-0.12 -0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( 0.000 -20.391 -6.756) 21.481 1.172 ( 0.000 -19.739 -6.912) 20.915 2.588 ( -0.000 -38.110 -2.096) 38.168 3.069 ( -0.000 -0.160 5.843) 5.845 3.895 ( 0.000 -20.682 -2.815) 20.873 5.335 ( -0.000 10.141 1.034) 10.194 6.854 ( 0.000 3.091 -0.988) 3.245 8.228 ( -0.000 -26.945 3.445) 27.164 8.381 ( 0.000 -18.074 -1.466) 18.133 9.559 ( -0.000 -3.196 11.903) 12.325 11.910 ( 0.000 15.126 -2.217) 15.287 12.858 ( 0.000 0.020 -3.099) 3.099 ======================= Grid point 620 (210/489) ======================= q-point: ( 0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.406 ( -0.000 0.000 20.738) 20.738 0.406 ( -0.000 0.000 20.738) 20.738 0.806 ( -0.000 0.000 40.786) 40.786 3.104 ( 0.000 -0.000 -4.555) 4.555 3.104 ( 0.000 -0.000 -4.555) 4.555 6.237 ( 0.000 -0.000 -6.309) 6.309 7.029 ( -0.000 0.000 0.318) 0.318 7.029 ( -0.000 0.000 0.318) 0.318 7.717 ( -0.000 0.000 0.009) 0.009 7.717 ( -0.000 0.000 0.009) 0.009 12.492 ( -0.000 0.000 1.072) 1.072 12.765 ( -0.000 0.000 1.258) 1.258 ======================= Grid point 621 (211/489) ======================= q-point: ( 0.18 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.564 ( 9.206 5.315 15.647) 18.916 0.649 ( 6.917 3.993 21.963) 23.370 1.246 ( 26.262 15.163 23.924) 38.626 3.133 ( 6.821 3.938 -6.335) 10.108 3.149 ( 2.475 1.429 -2.481) 3.784 5.731 ( -13.429 -7.753 4.379) 16.113 6.951 ( -4.691 -2.708 -1.306) 5.572 7.279 ( 17.968 10.374 1.050) 20.774 7.811 ( 7.700 4.445 0.257) 8.894 8.989 ( 46.300 26.731 -36.963) 64.996 12.391 ( -9.053 -5.226 0.729) 10.478 12.717 ( -2.747 -1.586 -0.370) 3.193 ======================= Grid point 622 (212/489) ======================= q-point: ( 0.24 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( 13.366 7.717 10.877) 18.881 0.887 ( 9.365 5.407 17.290) 20.393 1.961 ( 29.899 17.262 9.805) 35.890 3.198 ( 2.140 1.236 -0.160) 2.476 3.376 ( 15.851 9.151 -4.058) 18.747 5.529 ( -7.051 -4.071 -0.221) 8.144 6.836 ( -4.344 -2.508 -2.748) 5.719 7.758 ( 22.238 12.839 -0.759) 25.689 8.044 ( 12.409 7.165 0.609) 14.342 9.599 ( 20.780 11.998 -9.570) 25.833 12.119 ( -14.027 -8.099 -1.914) 16.310 12.658 ( -2.088 -1.206 -3.904) 4.589 ======================= Grid point 623 (213/489) ======================= q-point: ( 0.29 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( 13.196 7.619 9.526) 17.970 1.223 ( 14.793 8.541 8.061) 18.888 2.617 ( 26.021 15.023 0.424) 30.050 3.243 ( 1.598 0.923 1.979) 2.706 3.802 ( 21.434 12.375 0.585) 24.757 5.379 ( -6.321 -3.649 0.253) 7.303 6.750 ( -2.267 -1.309 -3.466) 4.344 8.206 ( 16.791 9.694 -3.952) 19.787 8.365 ( 15.401 8.892 0.759) 17.800 10.023 ( 18.382 10.613 6.664) 22.247 11.762 ( -16.326 -9.426 -4.455) 19.371 12.597 ( -1.790 -1.033 -6.102) 6.443 ======================= Grid point 624 (214/489) ======================= q-point: ( 0.35 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( 14.448 8.342 3.684) 17.085 1.583 ( 14.773 8.529 5.854) 18.035 3.137 ( 20.601 11.894 -5.967) 24.525 3.282 ( 0.957 0.553 3.669) 3.832 4.314 ( 22.193 12.813 3.858) 25.915 5.246 ( -5.692 -3.286 2.674) 7.095 6.715 ( 0.182 0.105 -3.426) 3.432 8.482 ( 9.106 5.257 -3.843) 11.195 8.737 ( 16.889 9.751 0.672) 19.514 10.488 ( 19.714 11.382 9.849) 24.803 11.360 ( -17.511 -10.110 -4.603) 20.737 12.543 ( -0.995 -0.575 -6.687) 6.785 ======================= Grid point 625 (215/489) ======================= q-point: ( 0.41 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( 13.287 7.671 -0.071) 15.343 1.922 ( 13.536 7.815 3.766) 16.077 3.309 ( 0.195 0.113 4.859) 4.864 3.521 ( 15.665 9.044 -9.524) 20.443 4.799 ( 18.554 10.712 4.434) 21.878 5.142 ( -4.459 -2.575 5.648) 7.643 6.732 ( 2.083 1.202 -2.911) 3.776 8.627 ( 5.154 2.976 -1.060) 6.045 9.121 ( 16.482 9.516 0.385) 19.036 10.844 ( -3.568 -2.060 -16.946) 17.440 11.053 ( 4.227 2.440 18.834) 19.456 12.511 ( -0.104 -0.060 -5.585) 5.586 ======================= Grid point 626 (216/489) ======================= q-point: ( 0.47 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.120 ( 10.439 6.027 -2.133) 12.241 2.214 ( 11.213 6.474 1.847) 13.078 3.320 ( -0.751 -0.433 5.619) 5.685 3.799 ( 12.073 6.970 -11.496) 18.069 5.022 ( -3.264 -1.885 6.456) 7.476 5.221 ( 12.329 7.118 5.229) 15.166 6.782 ( 2.857 1.649 -2.340) 4.045 8.737 ( 4.873 2.814 1.417) 5.803 9.471 ( 13.910 8.031 -0.010) 16.062 10.467 ( -16.638 -9.606 -12.534) 22.939 11.411 ( 14.392 8.309 9.591) 19.187 12.501 ( 0.427 0.247 -3.222) 3.260 ======================= Grid point 627 (217/489) ======================= q-point: ( 0.53 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.308 ( 6.749 3.896 -2.744) 8.262 2.436 ( 7.904 4.564 0.378) 9.135 3.310 ( -1.787 -1.032 5.939) 6.287 4.009 ( 10.176 5.875 -12.687) 17.292 4.934 ( -5.909 -3.412 7.881) 10.424 5.478 ( 8.177 4.721 4.116) 10.300 6.837 ( 2.398 1.385 -2.001) 3.417 8.863 ( 5.421 3.130 2.077) 6.595 9.737 ( 9.319 5.381 -0.395) 10.768 10.077 ( -13.721 -7.922 -10.162) 18.823 11.704 ( 9.208 5.316 3.411) 11.166 12.509 ( 0.772 0.446 -0.157) 0.905 ======================= Grid point 628 (218/489) ======================= q-point: ( 0.59 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.410 ( 2.954 1.705 -2.330) 4.131 2.567 ( 3.476 2.007 -0.263) 4.023 3.279 ( -2.467 -1.424 5.558) 6.245 4.187 ( 9.226 5.327 -13.570) 17.252 4.808 ( -7.436 -4.293 8.292) 11.937 5.609 ( 2.169 1.253 3.613) 4.396 6.871 ( 1.091 0.630 -1.897) 2.277 8.960 ( 1.605 0.926 0.095) 1.855 9.832 ( -3.993 -2.306 -6.918) 8.314 9.880 ( 3.310 1.911 -0.654) 3.878 11.835 ( 1.735 1.002 -1.001) 2.240 12.539 ( 1.539 0.889 2.872) 3.377 ======================= Grid point 629 (219/489) ======================= q-point: (-0.35 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.427 ( -0.962 -0.555 -1.536) 1.896 2.583 ( -2.250 -1.299 0.276) 2.613 3.239 ( -2.226 -1.285 4.036) 4.785 4.337 ( 7.598 4.387 -14.571) 17.009 4.658 ( -7.808 -4.508 9.343) 12.984 5.597 ( -4.167 -2.406 3.060) 5.702 6.873 ( -0.358 -0.207 -1.809) 1.855 8.912 ( -4.659 -2.690 -2.068) 5.764 9.879 ( 8.786 5.073 -4.932) 11.281 9.879 ( -3.198 -1.846 -0.696) 3.758 11.778 ( -5.960 -3.441 -2.674) 7.383 12.594 ( 2.105 1.215 4.600) 5.203 ======================= Grid point 630 (220/489) ======================= q-point: (-0.29 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.352 ( -5.404 -3.120 -0.764) 6.286 2.465 ( -8.252 -4.765 1.596) 9.662 3.206 ( -1.570 -0.906 1.640) 2.444 4.360 ( -4.821 -2.784 -6.731) 8.735 4.593 ( 2.678 1.546 2.508) 3.982 5.440 ( -10.421 -6.017 2.311) 12.253 6.848 ( -1.244 -0.718 -1.501) 2.078 8.796 ( -4.203 -2.427 -0.970) 4.949 9.735 ( -9.179 -5.300 -0.472) 10.610 10.124 ( 13.018 7.516 -8.440) 17.240 11.567 ( -11.375 -6.568 -1.049) 13.177 12.658 ( 2.045 1.180 5.283) 5.787 ======================= Grid point 631 (221/489) ======================= q-point: (-0.24 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( -10.106 -5.835 0.084) 11.670 2.229 ( -12.957 -7.481 2.784) 15.219 3.175 ( -1.366 -0.788 -0.722) 1.734 4.138 ( -12.843 -7.415 0.646) 14.844 4.727 ( 7.943 4.586 -3.246) 9.730 5.145 ( -15.831 -9.140 1.617) 18.352 6.815 ( -1.185 -0.684 -0.902) 1.639 8.731 ( -1.646 -0.950 1.339) 2.325 9.471 ( -13.743 -7.935 0.000) 15.869 10.330 ( 6.167 3.560 -17.708) 19.086 11.319 ( -8.479 -4.895 5.295) 11.131 12.720 ( 1.903 1.098 5.657) 6.069 ======================= Grid point 632 (222/489) ======================= q-point: (-0.18 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( -14.195 -8.195 1.331) 16.444 1.908 ( -15.900 -9.180 3.785) 18.746 3.138 ( -1.336 -0.771 -2.780) 3.180 3.781 ( -19.188 -11.078 1.534) 22.209 4.749 ( -19.085 -11.019 1.737) 22.106 4.916 ( 9.383 5.417 -2.886) 11.213 6.796 ( -0.236 -0.136 -0.145) 0.309 8.711 ( -1.608 -0.928 3.251) 3.743 9.127 ( -16.342 -9.435 0.619) 18.880 10.186 ( -12.085 -6.977 -23.108) 26.995 11.330 ( 7.104 4.101 8.130) 11.549 12.780 ( 1.705 0.984 5.673) 6.005 ======================= Grid point 633 (223/489) ======================= q-point: (-0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( -17.175 -9.916 5.018) 20.457 1.550 ( -16.927 -9.773 3.334) 19.828 3.099 ( -0.973 -0.562 -4.543) 4.680 3.266 ( -26.706 -15.419 1.288) 30.864 4.313 ( -19.461 -11.236 2.445) 22.605 5.127 ( 9.710 5.606 -1.768) 11.351 6.807 ( 1.223 0.706 0.540) 1.512 8.615 ( -9.669 -5.583 2.291) 11.398 8.749 ( -16.884 -9.748 1.190) 19.532 9.789 ( -13.371 -7.720 -19.111) 24.569 11.597 ( 13.025 7.520 4.535) 15.709 12.830 ( 1.153 0.666 4.945) 5.121 ======================= Grid point 638 (224/489) ======================= q-point: ( 0.18 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( -0.000 12.233 17.660) 21.483 0.738 ( -0.000 14.608 17.195) 22.562 1.292 ( -0.000 24.261 27.281) 36.508 3.008 ( 0.000 -2.671 -7.157) 7.639 3.233 ( 0.000 12.388 -3.122) 12.776 5.751 ( -0.000 -17.048 3.591) 17.422 7.016 ( -0.000 -3.109 0.559) 3.159 7.135 ( 0.000 14.474 -2.422) 14.676 7.822 ( 0.000 9.903 0.620) 9.922 8.827 ( 0.000 48.110 -31.640) 57.581 12.409 ( -0.000 -8.376 1.156) 8.456 12.770 ( 0.000 1.569 -1.033) 1.879 ======================= Grid point 639 (225/489) ======================= q-point: ( 0.24 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( 3.008 14.623 15.982) 21.870 0.943 ( 2.058 11.982 17.073) 20.959 1.798 ( 17.436 26.840 13.960) 34.918 3.051 ( 9.301 -1.671 -5.540) 10.954 3.375 ( 1.883 16.318 -1.844) 16.530 5.570 ( -4.751 -8.769 -0.201) 9.976 7.092 ( -13.611 15.935 -3.174) 21.195 7.268 ( 24.558 -5.064 -0.439) 25.079 8.051 ( 8.608 16.160 0.805) 18.328 9.308 ( 21.205 18.427 -16.958) 32.814 12.240 ( -9.068 -9.856 0.241) 13.395 12.725 ( -5.435 2.310 -2.775) 6.525 ======================= Grid point 640 (226/489) ======================= q-point: ( 0.29 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( 6.081 10.635 15.706) 19.919 1.206 ( 7.047 17.449 8.795) 20.772 2.399 ( 20.294 22.089 2.848) 30.131 3.197 ( 7.713 1.053 -1.566) 7.941 3.648 ( 11.571 17.489 1.073) 20.998 5.418 ( -4.308 -6.538 -0.728) 7.863 6.979 ( -15.742 17.609 -3.643) 23.899 7.711 ( 32.563 -7.259 -2.248) 33.438 8.354 ( 7.085 15.637 0.119) 17.168 9.783 ( 22.570 10.050 -1.542) 24.754 11.934 ( -14.798 -9.327 -1.492) 17.556 12.639 ( -5.144 1.466 -4.718) 7.132 ======================= Grid point 641 (227/489) ======================= q-point: ( 0.35 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( 9.785 10.543 7.803) 16.364 1.545 ( 8.623 18.017 7.283) 21.260 2.916 ( 18.524 16.196 -4.571) 25.027 3.304 ( 2.131 4.382 1.043) 4.983 4.095 ( 19.437 15.280 4.513) 25.133 5.288 ( -3.877 -5.802 1.090) 7.063 6.900 ( -12.426 17.707 -3.706) 21.947 8.180 ( 28.590 -2.836 -4.076) 29.018 8.586 ( 7.378 7.372 1.048) 10.482 10.270 ( 21.890 9.975 4.359) 24.447 11.565 ( -17.478 -7.902 -1.515) 19.241 12.557 ( -3.464 0.494 -5.847) 6.815 ======================= Grid point 642 (228/489) ======================= q-point: ( 0.41 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( 11.275 9.376 2.374) 14.855 1.885 ( 8.060 17.644 5.208) 20.084 3.316 ( 14.637 10.181 -8.371) 19.697 3.374 ( -0.024 7.006 2.791) 7.542 4.588 ( 19.848 11.801 5.391) 23.713 5.182 ( -3.062 -5.194 3.739) 7.094 6.881 ( -9.185 17.904 -3.344) 20.398 8.535 ( 11.779 3.564 -3.274) 12.734 8.828 ( 19.527 -1.156 1.706) 19.635 10.695 ( 15.138 5.090 -5.742) 16.971 11.221 ( -14.241 -2.027 7.670) 16.301 12.498 ( -1.268 -0.358 -5.456) 5.613 ======================= Grid point 643 (229/489) ======================= q-point: ( 0.47 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( 10.499 7.343 -0.899) 12.844 2.189 ( 6.280 16.212 3.052) 17.652 3.407 ( -2.657 6.487 3.654) 7.905 3.621 ( 12.266 7.714 -9.855) 17.524 4.994 ( 11.868 5.350 4.410) 13.745 5.121 ( 2.105 -2.548 6.301) 7.115 6.910 ( -7.082 17.870 -2.829) 19.430 8.677 ( 4.651 1.767 1.274) 5.135 9.198 ( 22.398 -0.656 -1.472) 22.456 10.622 ( -12.859 -5.247 -15.413) 20.747 11.310 ( 10.042 8.663 13.893) 19.207 12.472 ( 0.726 -1.249 -3.521) 3.806 ======================= Grid point 644 (230/489) ======================= q-point: ( 0.53 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.213 ( 8.108 4.831 -2.488) 9.761 2.431 ( 3.829 13.785 1.302) 14.366 3.425 ( -4.789 7.277 4.942) 10.015 3.842 ( 10.649 5.106 -11.487) 16.475 4.995 ( -3.547 -4.868 6.405) 8.792 5.357 ( 12.147 3.339 4.676) 13.438 6.962 ( -6.497 17.450 -2.466) 18.783 8.773 ( 5.717 -1.213 2.881) 6.516 9.518 ( 16.716 -1.949 -4.090) 17.319 10.292 ( -16.121 0.822 -9.655) 18.809 11.598 ( 10.267 5.192 5.849) 12.906 12.474 ( 2.103 -2.000 -0.607) 2.965 ======================= Grid point 645 (231/489) ======================= q-point: ( 0.59 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.351 ( 4.982 2.224 -2.743) 6.107 2.594 ( 0.756 10.700 0.267) 10.730 3.419 ( -6.788 7.985 5.449) 11.812 4.021 ( 10.082 3.707 -12.727) 16.654 4.888 ( -5.191 -5.972 6.864) 10.475 5.551 ( 6.842 0.060 4.148) 8.001 7.007 ( -7.231 16.735 -2.329) 18.379 8.852 ( 6.034 -6.024 1.521) 8.661 9.676 ( 8.638 -5.400 -7.328) 12.549 10.088 ( -11.587 10.978 -2.919) 16.227 11.772 ( 5.585 0.157 0.347) 5.598 12.500 ( 3.163 -2.184 2.394) 4.528 ======================= Grid point 646 (232/489) ======================= q-point: (-0.35 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.409 ( 1.604 -0.241 -2.255) 2.778 2.662 ( -3.417 7.328 0.112) 8.086 3.389 ( -8.150 8.632 4.992) 12.879 4.177 ( 9.457 2.680 -13.922) 17.043 4.751 ( -6.171 -6.398 7.602) 11.697 5.612 ( 0.559 -3.317 3.803) 5.077 7.026 ( -8.618 15.992 -2.253) 18.305 8.842 ( 2.583 -10.975 -1.443) 11.367 9.747 ( 7.915 -0.392 -6.247) 10.091 10.038 ( -9.041 11.567 -0.455) 14.688 11.787 ( -0.807 -4.613 -2.283) 5.210 12.552 ( 3.972 -2.002 4.211) 6.125 ======================= Grid point 647 (233/489) ======================= q-point: (-0.29 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.384 ( -2.309 -2.613 -1.599) 3.836 2.616 ( -8.878 4.108 0.807) 9.815 3.347 ( -8.438 9.079 3.510) 12.882 4.287 ( 5.878 -0.139 -14.365) 15.522 4.624 ( -4.133 -4.393 8.618) 10.519 5.528 ( -6.051 -6.613 3.335) 9.564 7.016 ( -9.850 15.569 -2.018) 18.534 8.750 ( 0.868 -10.466 -1.827) 10.660 9.829 ( -1.358 -3.706 -2.221) 4.529 10.034 ( 0.803 13.197 -5.152) 14.190 11.651 ( -6.861 -7.618 -1.727) 10.396 12.617 ( 4.140 -1.958 4.705) 6.566 ======================= Grid point 648 (234/489) ======================= q-point: (-0.24 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( -6.915 -4.858 -0.889) 8.497 2.448 ( -14.479 1.587 1.930) 14.693 3.303 ( -8.190 8.956 1.432) 12.220 4.222 ( -5.497 -6.553 -6.640) 10.828 4.638 ( 5.089 1.451 2.415) 5.817 5.301 ( -12.299 -9.488 2.760) 15.777 6.991 ( -10.358 15.839 -1.518) 18.986 8.681 ( 2.234 -7.699 -0.193) 8.019 9.618 ( -13.072 -8.515 -0.174) 15.602 10.234 ( 7.363 11.250 -12.693) 18.491 11.424 ( -9.299 -7.870 2.322) 12.402 12.683 ( 4.000 -1.885 4.712) 6.461 ======================= Grid point 649 (235/489) ======================= q-point: (-0.18 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( -11.704 -6.762 0.130) 13.518 2.178 ( -18.654 -0.010 3.138) 18.916 3.252 ( -7.875 8.280 -0.707) 11.448 3.965 ( -13.576 -9.344 -1.855) 16.585 4.793 ( 9.095 3.424 -0.633) 9.739 4.952 ( -17.057 -11.406 2.475) 20.668 6.973 ( -10.054 16.987 -0.845) 19.757 8.671 ( 3.580 -5.553 1.585) 6.794 9.248 ( -15.554 -16.457 -0.267) 22.646 10.306 ( -6.838 8.036 -19.593) 22.254 11.288 ( 0.743 -3.148 8.027) 8.654 12.746 ( 3.751 -1.791 4.382) 6.040 ======================= Grid point 650 (236/489) ======================= q-point: (-0.12 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( -16.062 -8.107 2.012) 18.104 1.849 ( -20.517 -0.855 4.281) 20.976 3.195 ( -7.218 7.401 -2.673) 10.678 3.560 ( -22.015 -11.094 -0.344) 24.654 4.534 ( -19.017 -11.760 2.648) 22.516 4.996 ( 10.449 3.928 -0.649) 11.182 6.982 ( -9.218 18.907 -0.209) 21.036 8.680 ( 0.705 -3.776 2.632) 4.657 8.775 ( -14.514 -26.390 -1.557) 30.158 10.056 ( -20.953 7.269 -16.434) 27.603 11.439 ( 12.520 1.974 5.869) 13.968 12.800 ( 3.213 -2.000 3.373) 5.070 ======================= Grid point 656 (237/489) ======================= q-point: ( 0.24 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( -0.000 15.420 14.657) 21.274 1.113 ( -0.000 12.874 16.779) 21.149 2.000 ( -0.000 32.678 11.988) 34.808 2.929 ( 0.000 -0.308 -6.596) 6.603 3.533 ( 0.000 19.113 -1.078) 19.143 5.511 ( 0.000 -10.187 -0.860) 10.223 6.933 ( 0.000 -4.754 -0.810) 4.823 7.535 ( 0.000 27.058 -4.685) 27.461 8.085 ( -0.000 15.507 1.400) 15.570 9.241 ( 0.000 14.545 -11.841) 18.756 12.207 ( -0.000 -12.362 0.696) 12.382 12.797 ( 0.000 2.414 -3.920) 4.603 ======================= Grid point 657 (238/489) ======================= q-point: ( 0.29 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( 0.020 12.776 16.537) 20.897 1.321 ( 4.149 17.128 10.117) 20.321 2.418 ( 8.152 29.173 3.537) 30.496 3.019 ( 10.712 1.763 -3.763) 11.490 3.745 ( 2.101 21.154 1.218) 21.293 5.393 ( -1.995 -8.672 -0.968) 8.951 7.108 ( 24.449 -6.050 -2.122) 25.275 7.544 ( -22.009 27.289 -4.295) 35.320 8.376 ( 8.583 15.563 0.602) 17.783 9.496 ( 18.706 8.557 -3.706) 20.902 12.020 ( -7.269 -12.350 0.377) 14.335 12.749 ( -5.884 2.432 -4.878) 8.021 ======================= Grid point 658 (239/489) ======================= q-point: ( 0.35 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( 3.037 12.155 10.460) 16.321 1.632 ( 7.169 19.213 8.316) 22.129 2.833 ( 10.851 21.806 -4.143) 24.706 3.237 ( 10.596 4.099 -1.535) 11.465 4.049 ( 8.328 20.801 5.106) 22.981 5.276 ( -2.264 -7.592 0.507) 7.939 7.418 ( -21.734 28.008 -4.220) 35.702 7.554 ( 34.303 -6.219 -3.494) 35.037 8.588 ( 2.839 8.093 1.098) 8.646 9.964 ( 24.807 8.198 0.567) 26.133 11.742 ( -12.177 -9.688 1.042) 15.596 12.640 ( -6.831 1.866 -5.636) 9.051 ======================= Grid point 659 (240/489) ======================= q-point: ( 0.41 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( 6.528 10.914 4.847) 13.610 1.975 ( 7.133 20.228 6.158) 22.315 3.181 ( 11.020 14.453 -8.230) 19.952 3.422 ( 5.193 7.215 -0.077) 8.889 4.447 ( 13.598 16.479 6.674) 22.383 5.174 ( -1.909 -6.810 2.743) 7.585 7.339 ( -18.142 27.791 -3.700) 33.394 8.093 ( 34.793 -2.855 -5.044) 35.272 8.673 ( 1.928 1.160 3.049) 3.789 10.427 ( 20.190 4.837 -3.390) 21.037 11.459 ( -12.847 -3.658 5.676) 14.514 12.531 ( -4.983 0.505 -5.629) 7.534 ======================= Grid point 660 (241/489) ======================= q-point: ( 0.47 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( 8.052 8.761 0.860) 11.930 2.296 ( 5.026 20.074 3.945) 21.067 3.419 ( 7.923 6.408 -9.157) 13.700 3.582 ( 2.860 12.178 0.877) 12.540 4.842 ( 14.178 10.282 5.553) 18.373 5.095 ( -1.134 -6.318 4.831) 8.034 7.321 ( -14.766 27.449 -3.192) 31.332 8.590 ( 18.422 4.069 -3.817) 19.248 8.748 ( 15.028 -7.166 2.043) 16.774 10.625 ( 3.060 -2.536 -12.504) 13.120 11.363 ( -1.524 5.950 13.494) 14.826 12.451 ( -1.984 -1.436 -4.358) 4.999 ======================= Grid point 661 (242/489) ======================= q-point: ( 0.53 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.124 ( 7.547 6.027 -1.527) 9.779 2.557 ( 1.955 18.576 2.086) 18.795 3.543 ( 3.452 5.281 -4.351) 7.664 3.748 ( 2.865 11.439 -3.337) 12.255 5.008 ( -1.859 -5.217 5.343) 7.695 5.181 ( 13.016 3.105 4.759) 14.203 7.347 ( -12.653 26.919 -2.880) 29.884 8.696 ( 2.095 -2.245 3.706) 4.813 9.114 ( 25.213 -3.673 -6.862) 26.387 10.499 ( -8.757 1.418 -9.261) 12.824 11.527 ( 6.271 5.600 9.056) 12.357 12.409 ( 1.159 -3.525 -1.798) 4.123 ======================= Grid point 662 (243/489) ======================= q-point: ( 0.59 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.276 ( 5.670 3.175 -2.484) 6.957 2.738 ( -1.211 15.980 0.945) 16.053 3.623 ( -1.531 8.676 0.464) 8.822 3.882 ( 4.539 7.342 -8.182) 11.894 4.917 ( -3.559 -6.830 5.699) 9.581 5.410 ( 10.361 -0.776 3.929) 11.108 7.391 ( -12.224 26.520 -2.869) 29.343 8.703 ( 3.351 -7.875 2.429) 8.896 9.402 ( 15.519 -3.241 -8.230) 17.863 10.378 ( -9.443 10.840 -3.287) 14.747 11.678 ( 5.175 0.165 2.603) 5.795 12.410 ( 3.808 -4.867 1.377) 6.331 ======================= Grid point 663 (244/489) ======================= q-point: ( 0.65 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.362 ( 3.092 0.663 -2.422) 3.983 2.834 ( -4.478 12.954 0.543) 13.717 3.658 ( -7.067 12.144 3.224) 14.416 4.005 ( 7.427 3.443 -11.950) 14.485 4.794 ( -4.594 -7.547 5.966) 10.661 5.535 ( 5.511 -4.308 3.738) 7.931 7.426 ( -13.237 26.196 -2.894) 29.493 8.666 ( 3.327 -11.801 -0.256) 12.264 9.560 ( 10.036 -1.647 -6.744) 12.204 10.348 ( -10.091 15.481 -0.255) 18.481 11.715 ( 2.012 -5.527 -1.381) 6.042 12.449 ( 5.453 -5.144 3.555) 8.297 ======================= Grid point 664 (245/489) ======================= q-point: (-0.29 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.377 ( -0.093 -1.385 -1.969) 2.409 2.839 ( -8.556 10.027 0.588) 13.195 3.645 ( -10.403 13.605 3.501) 17.481 4.117 ( 7.765 0.450 -13.871) 15.903 4.665 ( -4.023 -6.799 7.089) 10.614 5.531 ( -0.788 -7.122 3.622) 8.028 7.434 ( -14.615 25.696 -2.578) 29.674 8.597 ( 2.723 -11.052 -1.662) 11.503 9.684 ( 8.537 -3.022 -5.185) 10.435 10.306 ( -12.180 15.184 -0.458) 19.471 11.638 ( -1.890 -8.708 -1.959) 9.124 12.510 ( 6.035 -4.994 4.033) 8.811 ======================= Grid point 665 (246/489) ======================= q-point: (-0.24 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.315 ( -4.117 -3.044 -1.490) 5.333 2.740 ( -13.545 7.367 0.929) 15.446 3.600 ( -11.673 13.534 2.513) 18.048 4.155 ( 2.602 -4.133 -12.520) 13.438 4.603 ( 0.669 -2.776 6.848) 7.419 5.390 ( -7.605 -9.198 3.390) 12.407 7.423 ( -15.256 25.618 -1.843) 29.873 8.545 ( 2.961 -7.996 -1.423) 8.644 9.671 ( -3.213 -10.964 -3.250) 11.879 10.293 ( -3.858 15.523 -4.973) 16.750 11.479 ( -5.851 -8.803 0.551) 10.584 12.579 ( 6.036 -4.577 3.619) 8.395 ======================= Grid point 666 (247/489) ======================= q-point: (-0.18 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.166 ( -8.758 -4.210 -0.903) 9.759 2.532 ( -18.314 4.991 1.664) 19.055 3.531 ( -11.924 12.236 0.965) 17.112 4.033 ( -5.862 -7.637 -7.261) 12.058 4.682 ( 6.849 1.199 3.435) 7.756 5.120 ( -13.856 -10.293 3.207) 17.556 7.416 ( -15.086 26.793 -1.002) 30.765 8.533 ( 4.078 -6.333 -0.727) 7.568 9.343 ( -15.225 -18.815 -1.702) 24.263 10.414 ( 0.575 14.733 -11.922) 18.961 11.302 ( -5.265 -7.237 5.992) 10.770 12.647 ( 5.717 -4.029 2.745) 7.514 ======================= Grid point 667 (248/489) ======================= q-point: (-0.12 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( -13.388 -4.611 0.108) 14.160 2.235 ( -21.535 2.737 2.793) 21.887 3.442 ( -11.374 9.997 -0.594) 15.155 3.769 ( -13.979 -7.907 -4.264) 16.617 4.754 ( -18.142 -9.825 3.370) 20.905 4.856 ( 9.763 2.543 2.011) 10.287 7.435 ( -14.450 28.848 -0.447) 32.268 8.528 ( 2.986 -11.314 -1.862) 11.848 8.840 ( -17.094 -20.591 -0.177) 26.762 10.418 ( -13.082 13.392 -13.192) 22.903 11.274 ( 7.102 -4.214 8.333) 11.732 12.708 ( 4.997 -3.762 1.242) 6.377 ======================= Grid point 674 (249/489) ======================= q-point: ( 0.29 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( -0.000 12.850 12.858) 18.178 1.471 ( -0.000 16.199 11.218) 19.704 2.668 ( 0.000 29.955 0.802) 29.966 2.927 ( 0.000 3.519 -2.916) 4.570 3.952 ( 0.000 22.958 1.744) 23.024 5.319 ( -0.000 -8.921 -0.376) 8.929 6.833 ( 0.000 -4.163 -2.265) 4.740 8.072 ( 0.000 29.383 -5.953) 29.980 8.427 ( 0.000 18.007 1.389) 18.061 9.371 ( 0.000 4.152 -0.461) 4.177 11.950 ( -0.000 -13.595 0.607) 13.609 12.809 ( 0.000 1.828 -5.450) 5.748 ======================= Grid point 675 (250/489) ======================= q-point: ( 0.35 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( -1.154 12.301 9.977) 15.880 1.716 ( 6.023 16.514 8.414) 19.488 2.940 ( 2.367 22.860 -4.613) 23.441 3.084 ( 10.557 7.016 -1.095) 12.723 4.207 ( 1.994 23.623 4.238) 24.082 5.227 ( -0.958 -8.009 1.145) 8.147 6.986 ( 22.275 -4.335 -3.111) 22.905 8.086 ( -22.259 29.684 -5.001) 37.438 8.645 ( 1.519 10.756 1.211) 10.930 9.626 ( 21.953 5.684 1.313) 22.715 11.781 ( -4.845 -11.805 1.275) 12.824 12.756 ( -5.584 1.741 -5.785) 8.226 ======================= Grid point 676 (251/489) ======================= q-point: ( 0.41 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( 1.231 11.274 5.744) 12.712 2.040 ( 9.250 17.146 6.196) 20.443 3.188 ( 4.413 18.007 -7.967) 20.179 3.332 ( 11.256 6.140 -1.075) 12.867 4.507 ( 4.734 21.416 6.329) 22.828 5.140 ( -1.277 -7.068 3.058) 7.806 7.427 ( 33.951 -4.109 -3.837) 34.414 7.975 ( -22.395 30.100 -4.561) 37.793 8.707 ( -1.462 3.390 2.626) 4.531 10.091 ( 23.344 4.556 -1.272) 23.818 11.591 ( -6.751 -6.752 4.086) 10.386 12.636 ( -7.604 1.399 -5.756) 9.639 ======================= Grid point 677 (252/489) ======================= q-point: ( 0.47 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( 4.042 9.471 2.107) 10.511 2.386 ( 8.721 17.650 4.224) 20.135 3.358 ( 3.625 9.505 -10.586) 14.681 3.595 ( 9.819 10.228 0.764) 14.199 4.807 ( 6.381 15.450 5.857) 17.712 5.065 ( -1.173 -6.451 4.611) 8.016 7.872 ( -12.622 23.863 -0.976) 27.013 8.016 ( 30.488 1.503 -7.446) 31.420 8.707 ( -1.875 1.295 2.904) 3.692 10.426 ( 13.892 -0.417 -6.223) 15.228 11.487 ( -3.357 0.747 9.078) 9.707 12.502 ( -6.670 -0.018 -5.130) 8.415 ======================= Grid point 678 (253/489) ======================= q-point: ( 0.53 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( 5.276 6.954 -0.471) 8.742 2.693 ( 5.268 17.713 2.559) 18.656 3.459 ( 4.971 4.144 -9.693) 11.655 3.843 ( 4.736 13.319 0.878) 14.163 4.999 ( -1.334 -6.387 5.366) 8.448 5.054 ( 7.507 7.500 4.093) 11.374 7.851 ( -15.241 26.266 -2.076) 30.439 8.546 ( 29.259 -6.863 -6.181) 30.683 8.708 ( 1.610 4.573 1.777) 5.164 10.530 ( 2.835 0.447 -7.148) 7.703 11.544 ( 2.130 4.012 10.066) 11.043 12.384 ( -3.711 -2.712 -3.603) 5.840 ======================= Grid point 679 (254/489) ======================= q-point: ( 0.59 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.213 ( 4.918 4.179 -1.820) 6.705 2.919 ( 0.482 16.758 1.349) 16.819 3.564 ( 7.342 1.991 -8.013) 11.049 4.011 ( -1.604 14.890 0.168) 14.977 4.919 ( -2.596 -6.762 5.158) 8.892 5.240 ( 8.890 -0.009 2.967) 9.372 7.863 ( -12.387 25.446 -2.643) 28.424 8.603 ( 0.757 -8.336 -0.059) 8.371 9.052 ( 21.078 3.328 -5.295) 21.987 10.557 ( -1.306 8.198 -3.637) 9.064 11.640 ( 1.791 1.006 5.675) 6.035 12.308 ( 0.880 -5.944 -0.801) 6.062 ======================= Grid point 680 (255/489) ======================= q-point: ( 0.65 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.308 ( 3.516 1.706 -2.096) 4.434 3.049 ( -3.672 14.660 0.854) 15.137 3.695 ( 8.276 1.973 -6.697) 10.827 4.086 ( -6.270 14.793 -1.288) 16.118 4.808 ( -4.047 -7.431 4.587) 9.625 5.374 ( 8.455 -5.113 2.875) 10.290 7.903 ( -11.785 25.841 -3.721) 28.644 8.519 ( 0.879 -10.240 -0.081) 10.278 9.349 ( 12.391 2.751 -4.870) 13.595 10.628 ( -3.917 14.875 -0.548) 15.392 11.639 ( -0.593 -4.962 0.457) 5.019 12.297 ( 5.415 -7.777 2.257) 9.741 ======================= Grid point 681 (256/489) ======================= q-point: (-0.29 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.352 ( 1.374 -0.125 -1.822) 2.286 3.091 ( -7.254 12.258 0.780) 14.265 3.826 ( 5.786 3.109 -5.003) 8.257 4.092 ( -7.468 12.584 -4.009) 15.172 4.677 ( -3.830 -7.638 4.873) 9.837 5.435 ( 4.684 -7.823 3.038) 9.610 7.929 ( -13.219 24.413 -3.873) 28.031 8.458 ( 2.468 -6.901 -0.474) 7.344 9.511 ( 6.963 0.023 -4.149) 8.106 10.667 ( -10.566 16.288 0.796) 19.431 11.550 ( -0.231 -9.684 -1.853) 9.862 12.343 ( 7.513 -7.786 3.277) 11.305 ======================= Grid point 682 (257/489) ======================= q-point: (-0.24 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.338 ( -1.670 -1.286 -1.490) 2.581 3.043 ( -11.482 9.619 0.676) 14.994 3.901 ( -2.241 6.918 -0.702) 7.306 4.060 ( -4.290 5.426 -9.169) 11.486 4.584 ( -0.652 -5.599 6.104) 8.309 5.391 ( -1.468 -8.884 2.964) 9.480 7.913 ( -12.829 20.533 -1.958) 24.290 8.462 ( 0.957 1.490 -2.011) 2.680 9.547 ( 2.260 -8.114 -4.058) 9.350 10.595 ( -13.659 13.559 -0.220) 19.248 11.448 ( -0.694 -8.888 -0.354) 8.922 12.414 ( 7.947 -6.699 2.667) 10.730 ======================= Grid point 683 (258/489) ======================= q-point: (-0.18 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( -5.675 -1.778 -1.208) 6.068 2.889 ( -16.131 6.356 0.792) 17.356 3.871 ( -12.010 11.397 2.094) 16.689 3.988 ( -1.159 -4.364 -10.860) 11.761 4.603 ( 4.518 -1.359 5.951) 7.594 5.230 ( -8.375 -8.512 2.801) 12.265 7.903 ( -10.841 19.636 0.331) 22.432 8.483 ( -2.356 6.142 -3.386) 7.399 9.351 ( -8.682 -19.124 -3.430) 21.281 10.548 ( -4.649 12.607 -4.184) 14.074 11.338 ( -4.272 -6.377 3.871) 8.597 12.494 ( 7.537 -5.183 1.328) 9.243 ======================= Grid point 684 (259/489) ======================= q-point: (-0.12 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( -10.145 -1.492 -0.814) 10.287 2.627 ( -20.042 2.695 1.513) 20.279 3.744 ( -13.428 7.145 0.483) 15.218 3.856 ( -6.247 -4.171 -7.866) 10.876 4.733 ( 8.165 1.272 5.071) 9.695 4.968 ( -14.503 -6.235 3.064) 16.081 7.930 ( -9.746 19.662 1.621) 22.005 8.461 ( -5.726 3.665 -5.164) 8.538 8.908 ( -15.041 -21.765 -1.181) 26.483 10.631 ( -0.509 13.440 -9.540) 16.489 11.215 ( -3.878 -6.656 9.658) 12.354 12.572 ( 6.473 -3.975 -0.518) 7.614 ======================= Grid point 692 (260/489) ======================= q-point: ( 0.35 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( -0.000 11.244 7.680) 13.616 1.838 ( -0.000 14.959 6.468) 16.297 3.032 ( -0.000 7.125 2.317) 7.493 3.155 ( 0.000 21.744 -8.242) 23.253 4.443 ( -0.000 24.468 4.492) 24.877 5.166 ( -0.000 -7.133 2.674) 7.618 6.749 ( 0.000 -2.533 -3.044) 3.960 8.553 ( 0.000 22.185 -5.851) 22.944 8.797 ( 0.000 18.561 0.823) 18.579 9.432 ( -0.000 1.366 3.800) 4.038 11.709 ( -0.000 -10.809 1.329) 10.890 12.801 ( 0.000 1.132 -5.891) 5.999 ======================= Grid point 693 (261/489) ======================= q-point: ( 0.41 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( -1.316 10.108 4.481) 11.134 2.062 ( 7.250 14.136 4.577) 16.532 3.201 ( 9.022 8.276 3.453) 12.720 3.315 ( 0.050 15.993 -10.853) 19.328 4.705 ( 0.893 23.310 5.304) 23.922 5.105 ( -0.871 -6.028 4.302) 7.457 6.902 ( 20.755 -2.075 -3.305) 21.118 8.611 ( -17.276 26.550 -5.968) 32.233 8.808 ( -7.192 4.458 3.655) 9.217 9.731 ( 23.139 3.939 1.071) 23.497 11.603 ( -2.163 -6.883 2.664) 7.691 12.746 ( -5.165 1.047 -5.704) 7.766 ======================= Grid point 694 (262/489) ======================= q-point: ( 0.47 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.971 ( 0.462 8.884 1.849) 9.086 2.374 ( 11.286 13.591 3.209) 17.955 3.397 ( 0.329 9.067 -10.871) 14.160 3.493 ( 11.905 10.083 2.384) 15.782 4.945 ( 0.313 18.698 4.650) 19.269 5.046 ( -1.370 -4.913 5.475) 7.483 7.343 ( 33.071 -1.932 -3.624) 33.325 8.480 ( -21.317 20.439 -1.146) 29.555 8.791 ( -2.803 6.384 -0.254) 6.977 10.129 ( 19.344 0.918 -1.583) 19.430 11.541 ( -1.290 -1.636 5.363) 5.754 12.623 ( -7.994 0.831 -5.183) 9.563 ======================= Grid point 695 (263/489) ======================= q-point: ( 0.53 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( 2.405 7.061 -0.074) 7.460 2.711 ( 11.248 13.286 2.206) 17.547 3.436 ( 0.173 5.822 -9.909) 11.494 3.809 ( 12.275 9.893 1.913) 15.881 4.975 ( -1.742 -5.365 5.362) 7.782 5.119 ( -0.847 12.387 3.256) 12.836 7.906 ( 35.046 -2.794 -3.874) 35.370 8.331 ( -15.588 14.409 0.368) 21.230 8.810 ( -4.116 10.434 -2.171) 11.425 10.391 ( 11.836 1.068 -2.888) 12.230 11.565 ( 1.649 0.914 7.505) 7.738 12.467 ( -8.592 -0.352 -4.382) 9.652 ======================= Grid point 696 (264/489) ======================= q-point: ( 0.59 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.183 ( 3.187 4.791 -1.195) 5.877 3.012 ( 7.550 13.298 1.395) 15.355 3.469 ( 2.477 2.943 -7.845) 8.737 4.099 ( 8.145 11.604 1.072) 14.218 4.904 ( -1.655 -6.549 5.295) 8.583 5.193 ( -0.879 4.811 1.277) 5.055 8.235 ( -8.424 10.561 2.516) 13.742 8.362 ( 19.189 -5.625 -7.663) 21.415 8.895 ( 3.718 14.424 -1.157) 14.940 10.569 ( 6.640 6.629 -2.396) 9.684 11.633 ( 2.541 -0.835 7.117) 7.603 12.303 ( -6.930 -3.150 -3.160) 8.243 ======================= Grid point 697 (265/489) ======================= q-point: ( 0.65 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.268 ( 2.904 2.591 -1.497) 4.170 3.221 ( 0.945 13.070 0.882) 13.133 3.544 ( 6.939 0.983 -6.360) 9.464 4.299 ( 0.113 13.564 0.263) 13.567 4.820 ( -3.000 -6.100 4.265) 8.025 5.215 ( 3.207 -3.655 0.912) 4.947 8.235 ( -4.807 12.530 -1.335) 13.486 8.421 ( 1.264 -7.443 -3.491) 8.318 9.200 ( 11.943 13.286 -1.513) 17.929 10.749 ( 4.254 12.090 -1.118) 12.865 11.642 ( -1.983 -3.738 3.784) 5.677 12.169 ( -1.031 -7.482 -0.645) 7.580 ======================= Grid point 698 (266/489) ======================= q-point: ( 0.71 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( 1.880 0.923 -1.321) 2.476 3.311 ( -4.246 11.134 0.884) 11.949 3.674 ( 8.947 0.890 -6.307) 10.982 4.370 ( -6.569 12.790 0.422) 14.385 4.703 ( -5.858 -4.455 2.453) 7.758 5.251 ( 7.338 -8.804 1.807) 11.603 8.256 ( -6.956 7.513 -5.327) 11.541 8.381 ( 3.147 1.022 1.080) 3.481 9.455 ( 4.268 9.813 -1.905) 10.870 10.926 ( 0.093 14.678 0.800) 14.700 11.505 ( -6.867 -7.889 -0.695) 10.482 12.136 ( 6.656 -9.767 1.969) 11.982 ======================= Grid point 699 (267/489) ======================= q-point: (-0.24 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.340 ( 0.100 0.011 -1.097) 1.102 3.306 ( -8.168 8.387 0.850) 11.738 3.803 ( 7.346 0.665 -7.306) 10.382 4.349 ( -10.563 11.997 1.077) 16.021 4.568 ( -3.962 -5.439 2.761) 7.273 5.281 ( 5.037 -8.800 1.854) 10.307 8.160 ( -5.962 1.283 -0.803) 6.151 8.521 ( 3.521 12.574 -3.399) 13.493 9.507 ( -4.242 1.565 -2.053) 4.966 10.971 ( -13.599 12.558 1.837) 18.601 11.342 ( 1.210 -9.015 -1.261) 9.182 12.197 ( 9.600 -8.085 1.772) 12.675 ======================= Grid point 700 (268/489) ======================= q-point: (-0.18 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.315 ( -2.693 -0.116 -1.005) 2.876 3.194 ( -12.752 4.311 0.606) 13.475 3.876 ( 3.645 -0.099 -8.838) 9.561 4.235 ( -14.852 8.437 1.236) 17.126 4.531 ( 3.426 -3.351 5.521) 7.311 5.246 ( -1.209 -6.256 1.322) 6.508 8.098 ( -3.283 1.839 2.122) 4.320 8.685 ( -0.649 17.463 -6.680) 18.709 9.322 ( -11.116 -11.092 -1.970) 15.827 10.793 ( -13.608 5.711 -0.656) 14.773 11.333 ( 1.004 -2.448 3.268) 4.205 12.301 ( 9.472 -4.996 0.172) 10.710 ======================= Grid point 701 (269/489) ======================= q-point: (-0.12 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.236 ( -6.422 0.513 -0.996) 6.519 2.962 ( -16.917 -0.257 0.828) 16.939 3.854 ( -2.311 -1.461 -9.577) 9.960 4.049 ( -13.855 3.845 1.477) 14.454 4.631 ( 7.093 0.159 6.993) 9.962 5.128 ( -8.059 -2.098 1.340) 8.435 8.080 ( -2.160 -0.936 3.204) 3.975 8.762 ( -7.260 13.211 -8.663) 17.386 8.945 ( -15.906 -10.224 -0.673) 18.921 10.696 ( -1.994 3.941 -3.350) 5.544 11.302 ( -5.374 -0.492 7.506) 9.245 12.412 ( 7.939 -2.575 -1.736) 8.525 ======================= Grid point 710 (270/489) ======================= q-point: ( 0.41 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.994 ( -0.000 8.363 2.419) 8.706 2.133 ( -0.000 12.303 1.951) 12.457 3.219 ( -0.000 8.619 5.828) 10.404 3.425 ( 0.000 12.903 -11.594) 17.347 4.945 ( -0.000 22.840 4.804) 23.340 5.077 ( -0.000 -4.708 5.478) 7.223 6.699 ( 0.000 -0.562 -2.784) 2.840 8.842 ( 0.000 10.135 -2.727) 10.496 9.156 ( 0.000 17.351 0.233) 17.353 9.475 ( -0.000 0.782 2.189) 2.324 11.572 ( -0.000 -3.865 2.428) 4.565 12.781 ( 0.000 0.611 -5.486) 5.520 ======================= Grid point 711 (271/489) ======================= q-point: ( 0.47 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( -0.929 7.265 0.320) 7.331 2.326 ( 8.264 10.905 1.082) 13.725 3.382 ( 6.149 7.509 2.932) 10.138 3.499 ( 0.610 9.658 -8.464) 12.856 5.041 ( -1.383 -3.881 5.604) 6.955 5.166 ( -1.036 19.767 4.160) 20.227 6.863 ( 19.665 -0.039 -2.472) 19.820 8.867 ( -6.911 0.324 3.604) 7.801 9.038 ( -16.515 19.036 -4.924) 25.678 9.792 ( 21.345 2.161 0.926) 21.474 11.557 ( -0.454 -0.016 3.278) 3.309 12.727 ( -4.806 0.584 -4.981) 6.946 ======================= Grid point 712 (272/489) ======================= q-point: ( 0.53 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( 0.322 6.234 -0.612) 6.272 2.616 ( 12.829 9.761 0.893) 16.145 3.475 ( -0.785 5.883 -8.080) 10.026 3.686 ( 11.484 7.195 2.752) 13.829 4.985 ( -2.638 -4.082 5.318) 7.204 5.309 ( -3.655 14.884 2.313) 15.500 7.303 ( 31.297 -0.270 -2.429) 31.393 8.663 ( -14.258 -0.252 5.779) 15.387 9.029 ( -6.829 16.734 -7.340) 19.507 10.148 ( 17.728 2.180 0.780) 17.879 11.575 ( 0.095 1.285 4.387) 4.573 12.605 ( -8.212 0.538 -4.266) 9.270 ======================= Grid point 713 (273/489) ======================= q-point: ( 0.59 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.189 ( 1.404 4.752 -0.914) 5.039 2.937 ( 13.319 8.767 0.763) 15.964 3.481 ( -1.287 4.372 -6.217) 7.709 3.986 ( 14.399 6.411 1.963) 15.884 4.905 ( -3.381 -5.051 4.633) 7.643 5.343 ( -6.714 9.052 0.327) 11.275 7.836 ( 31.040 -1.835 -2.707) 31.212 8.468 ( -10.138 0.538 3.771) 10.830 9.064 ( -4.163 14.965 -4.841) 16.271 10.457 ( 13.767 6.393 0.128) 15.179 11.600 ( 0.893 -1.663 5.086) 5.425 12.436 ( -10.374 -0.116 -3.512) 10.953 ======================= Grid point 714 (274/489) ======================= q-point: ( 0.65 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.252 ( 1.759 3.045 -0.835) 3.615 3.229 ( 10.737 8.104 0.442) 13.459 3.487 ( -0.138 3.007 -3.840) 4.879 4.296 ( 12.637 7.519 0.656) 14.719 4.808 ( -2.598 -6.404 4.110) 8.041 5.268 ( -8.572 2.960 -0.987) 9.122 8.214 ( 15.655 -3.808 -1.906) 16.224 8.363 ( -3.950 1.313 0.493) 4.192 9.202 ( 5.095 15.385 -1.636) 16.289 10.744 ( 9.613 11.463 -0.870) 14.985 11.596 ( 1.613 -6.907 5.044) 8.704 12.231 ( -11.106 -1.944 -2.693) 11.592 ======================= Grid point 715 (275/489) ======================= q-point: ( 0.71 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.301 ( 1.551 1.585 -0.604) 2.299 3.443 ( 2.058 9.008 1.269) 9.327 3.526 ( 6.072 0.435 -3.638) 7.092 4.505 ( 1.256 5.675 -0.088) 5.813 4.761 ( 2.184 -1.357 3.036) 3.979 5.125 ( -5.669 -4.819 -0.814) 7.485 8.301 ( 0.543 -2.889 -2.015) 3.564 8.365 ( 2.418 3.002 0.132) 3.858 9.479 ( 8.206 13.270 -0.601) 15.614 10.990 ( 5.407 12.413 -0.937) 13.572 11.543 ( -1.173 -8.613 3.024) 9.204 12.027 ( -6.290 -5.513 -1.034) 8.428 ======================= Grid point 716 (276/489) ======================= q-point: (-0.24 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.332 ( 0.883 0.773 -0.464) 1.262 3.474 ( -3.981 3.748 0.926) 5.545 3.677 ( 7.774 3.696 -3.761) 9.394 4.483 ( -2.455 -2.136 2.080) 3.862 4.761 ( -12.434 8.931 -0.385) 15.314 5.066 ( 9.375 -9.883 0.679) 13.639 8.240 ( -4.023 -0.506 0.125) 4.057 8.486 ( 7.323 4.212 -2.197) 8.729 9.643 ( -2.469 7.433 -0.665) 7.861 11.165 ( 4.567 6.582 1.187) 8.098 11.367 ( -12.882 -3.823 -0.596) 13.450 11.967 ( 6.897 -6.740 0.617) 9.663 ======================= Grid point 717 (277/489) ======================= q-point: (-0.18 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.342 ( -0.502 0.749 -0.520) 1.041 3.392 ( -7.920 -0.956 0.530) 7.995 3.809 ( 4.121 4.922 -5.655) 8.555 4.459 ( 2.069 -2.795 4.282) 5.516 4.557 ( -15.493 1.590 0.800) 15.595 5.160 ( 6.207 -2.084 -0.273) 6.553 8.179 ( -4.138 1.796 2.612) 5.212 8.653 ( 9.053 1.488 -5.661) 10.780 9.527 ( -14.059 0.683 -0.791) 14.097 11.069 ( -15.444 -3.683 -1.623) 15.960 11.301 ( 3.603 4.634 4.423) 7.350 12.086 ( 10.695 -2.254 -0.736) 10.954 ======================= Grid point 718 (278/489) ======================= q-point: (-0.12 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( -2.916 1.417 -0.752) 3.329 3.189 ( -12.343 -5.158 0.424) 13.384 3.860 ( -0.985 3.523 -7.937) 8.740 4.297 ( -13.748 -2.875 0.349) 14.049 4.538 ( 6.247 -0.569 7.891) 10.081 5.208 ( -0.955 2.788 -0.430) 2.978 8.135 ( -4.822 -0.272 3.581) 6.013 8.699 ( 2.380 -12.625 -6.089) 14.218 9.296 ( -14.235 10.989 -2.836) 18.205 10.796 ( -10.554 -4.376 -0.751) 11.450 11.396 ( -0.281 4.623 6.241) 7.772 12.248 ( 9.134 0.763 -2.340) 9.460 ======================= Grid point 728 (279/489) ======================= q-point: ( 0.47 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.133 ( 0.000 5.675 -1.085) 5.778 2.348 ( 0.000 9.219 -0.420) 9.228 3.417 ( -0.000 7.146 5.248) 8.866 3.549 ( 0.000 7.149 -8.581) 11.169 5.037 ( -0.000 -3.290 5.553) 6.454 5.378 ( -0.000 17.999 3.099) 18.264 6.691 ( 0.000 1.007 -1.533) 1.834 8.943 ( -0.000 1.654 0.810) 1.841 9.471 ( 0.000 14.323 -0.008) 14.323 9.479 ( -0.000 -1.087 0.140) 1.097 11.584 ( -0.000 2.799 2.654) 3.857 12.757 ( 0.000 0.342 -4.595) 4.608 ======================= Grid point 729 (280/489) ======================= q-point: ( 0.53 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( -0.332 4.982 -1.320) 5.164 2.508 ( 8.809 7.595 -0.491) 11.641 3.517 ( 1.113 5.777 -1.163) 5.997 3.610 ( 4.241 4.985 -1.402) 6.693 5.006 ( -1.847 -3.302 4.746) 6.070 5.521 ( -2.975 14.125 1.524) 14.515 6.865 ( 18.812 1.195 -0.861) 18.870 8.867 ( -9.533 -2.438 4.055) 10.643 9.288 ( -10.017 9.374 -4.351) 14.393 9.860 ( 19.133 4.229 1.932) 19.690 11.620 ( -0.953 3.614 2.702) 4.612 12.708 ( -4.508 0.443 -3.996) 6.040 ======================= Grid point 730 (281/489) ======================= q-point: ( 0.59 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.217 ( 0.291 4.187 -0.714) 4.258 2.773 ( 13.739 6.042 -0.127) 15.010 3.541 ( -2.152 4.829 -3.226) 6.193 3.801 ( 12.328 2.992 1.570) 12.783 4.938 ( -3.641 -3.815 3.550) 6.358 5.556 ( -6.724 9.415 -0.223) 11.572 7.299 ( 29.439 0.737 -0.514) 29.452 8.655 ( -11.967 -3.032 4.251) 13.056 9.249 ( -4.914 9.506 -4.171) 11.485 10.232 ( 18.846 4.870 1.751) 19.543 11.626 ( -2.507 1.126 2.887) 3.986 12.592 ( -8.255 0.633 -3.311) 8.917 ======================= Grid point 731 (282/489) ======================= q-point: ( 0.65 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.260 ( 0.696 2.945 -0.095) 3.028 3.068 ( 14.379 4.391 -0.034) 15.035 3.540 ( -2.172 4.190 -0.730) 4.776 4.079 ( 16.602 2.233 0.613) 16.762 4.832 ( -4.906 -4.621 2.310) 7.125 5.478 ( -10.287 5.019 -1.382) 11.529 7.808 ( 27.853 0.013 -0.064) 27.853 8.464 ( -8.124 -2.167 2.378) 8.738 9.279 ( -0.428 8.951 -1.548) 9.094 10.608 ( 17.655 7.317 0.311) 19.114 11.567 ( -3.934 -3.994 3.055) 6.384 12.420 ( -11.460 0.549 -2.662) 11.778 ======================= Grid point 732 (283/489) ======================= q-point: ( 0.71 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.296 ( 0.859 1.649 0.255) 1.877 3.333 ( 12.590 2.469 -0.540) 12.841 3.549 ( -1.731 4.052 1.670) 4.712 4.395 ( 16.661 2.513 -0.777) 16.867 4.705 ( -3.988 -5.807 1.705) 7.248 5.306 ( -12.988 1.806 -1.537) 13.203 8.173 ( 13.266 -0.380 0.399) 13.278 8.370 ( -1.479 0.067 1.202) 1.907 9.423 ( 8.157 6.981 0.173) 10.738 10.965 ( 13.783 10.128 -1.677) 17.186 11.441 ( -2.994 -10.475 3.247) 11.368 12.199 ( -13.757 0.352 -1.899) 13.892 ======================= Grid point 733 (284/489) ======================= q-point: (-0.24 -0.53 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.324 ( 0.912 0.845 0.307) 1.281 3.498 ( 3.869 -2.153 -1.625) 4.717 3.606 ( 4.214 6.410 3.437) 8.406 4.523 ( -4.087 -1.022 -1.758) 4.565 4.747 ( 15.863 -4.869 0.815) 16.614 5.078 ( -14.551 2.102 -0.558) 14.713 8.257 ( 1.763 -1.438 -1.547) 2.751 8.433 ( 2.708 4.478 2.993) 6.028 9.632 ( 8.608 1.044 0.438) 8.682 11.194 ( -1.023 7.870 -1.681) 8.112 11.347 ( 7.631 -11.576 1.303) 13.926 11.979 ( -10.852 1.710 -0.481) 10.997 ======================= Grid point 734 (285/489) ======================= q-point: (-0.18 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.347 ( 0.677 0.807 0.114) 1.059 3.453 ( -3.329 -5.342 -0.140) 6.296 3.779 ( 5.851 6.515 0.667) 8.782 4.440 ( -2.124 -1.523 -0.157) 2.619 4.747 ( -7.925 -11.878 -0.283) 14.282 5.053 ( 5.798 8.981 -0.025) 10.690 8.266 ( -0.515 2.211 0.381) 2.302 8.515 ( 2.891 0.033 -0.028) 2.892 9.663 ( -2.691 -5.275 0.140) 5.923 11.150 ( -2.921 -6.919 0.016) 7.511 11.364 ( -1.320 1.910 -0.141) 2.326 11.953 ( 3.772 5.557 -0.081) 6.717 ======================= Grid point 735 (286/489) ======================= q-point: (-0.12 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.361 ( -0.327 1.405 -0.277) 1.469 3.287 ( -7.671 -8.927 0.081) 11.770 3.897 ( 0.461 5.135 -3.274) 6.107 4.424 ( -3.170 -2.398 -2.553) 4.724 4.489 ( -4.096 -7.665 6.368) 10.774 5.226 ( 4.034 7.514 -0.589) 8.549 8.266 ( -6.722 3.570 3.986) 8.592 8.491 ( 3.656 -13.210 -4.878) 14.549 9.530 ( -6.487 1.302 -1.184) 6.722 10.922 ( -11.228 -10.551 -0.481) 15.415 11.440 ( 3.212 6.529 3.205) 7.951 12.124 ( 7.752 6.292 -1.370) 10.077 ======================= Grid point 746 (287/489) ======================= q-point: ( 0.53 0.53 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( 0.000 4.052 -1.134) 4.207 2.493 ( 0.000 6.004 -0.844) 6.063 3.547 ( -0.000 3.594 1.523) 3.904 3.624 ( 0.000 4.676 -2.698) 5.399 5.005 ( -0.000 -3.171 3.638) 4.826 5.677 ( 0.000 11.060 0.420) 11.068 6.713 ( -0.000 1.539 0.191) 1.551 8.946 ( -0.000 -1.828 2.196) 2.857 9.453 ( -0.000 -1.229 0.883) 1.513 9.708 ( 0.000 9.554 0.163) 9.555 11.679 ( -0.000 4.352 2.079) 4.823 12.738 ( 0.000 0.431 -3.576) 3.602 ======================= Grid point 747 (288/489) ======================= q-point: ( 0.59 0.53 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.252 ( -0.062 3.442 -0.036) 3.443 2.621 ( 8.910 4.220 -0.535) 9.874 3.608 ( 1.358 3.887 -0.471) 4.145 3.670 ( 3.500 1.804 0.289) 3.948 4.964 ( -2.209 -3.363 2.188) 4.580 5.731 ( -4.035 6.923 -1.009) 8.076 6.892 ( 18.296 1.290 0.878) 18.362 8.832 ( -10.269 -3.247 2.906) 11.155 9.391 ( -4.637 4.056 -0.195) 6.164 9.963 ( 16.772 4.072 1.429) 17.319 11.701 ( -2.536 2.516 1.821) 4.010 12.696 ( -4.271 0.728 -3.039) 5.292 ======================= Grid point 748 (289/489) ======================= q-point: ( 0.65 0.53 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( 0.010 2.341 0.884) 2.502 2.853 ( 13.911 2.205 -0.264) 14.087 3.632 ( -2.837 4.720 2.595) 6.088 3.824 ( 13.339 -0.720 -0.821) 13.384 4.878 ( -4.287 -3.571 0.541) 5.605 5.672 ( -7.851 2.932 -2.003) 8.617 7.320 ( 28.641 1.004 1.436) 28.695 8.613 ( -11.320 -3.057 1.989) 11.893 9.379 ( -2.912 5.469 1.209) 6.313 10.318 ( 20.493 1.975 0.852) 20.606 11.645 ( -5.763 -0.734 1.547) 6.012 12.589 ( -8.196 1.057 -2.498) 8.633 ======================= Grid point 749 (290/489) ======================= q-point: (-0.29 -0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( 0.194 0.957 1.211) 1.556 3.109 ( 14.539 -0.127 -0.399) 14.545 3.640 ( -2.841 4.432 5.112) 7.338 4.084 ( 18.206 -1.448 -1.058) 18.294 4.756 ( -5.799 -3.436 -1.095) 6.829 5.518 ( -10.732 0.035 -2.106) 10.937 7.831 ( 27.116 1.328 2.279) 27.244 8.434 ( -6.644 -1.534 0.854) 6.872 9.404 ( 0.018 3.537 2.589) 4.383 10.687 ( 21.282 -0.276 -0.460) 21.288 11.506 ( -8.575 -2.964 0.991) 9.127 12.424 ( -11.649 1.385 -1.895) 11.883 ======================= Grid point 750 (291/489) ======================= q-point: (-0.24 -0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.318 ( 0.651 -0.020 1.107) 1.284 3.323 ( 11.773 -3.043 -0.864) 12.190 3.661 ( -1.463 4.247 6.763) 8.119 4.380 ( 18.664 -3.319 -1.653) 19.029 4.616 ( -6.186 -2.509 -2.358) 7.080 5.312 ( -11.717 -0.568 -1.212) 11.794 8.163 ( 7.919 -1.159 -0.859) 8.050 8.435 ( 5.771 5.222 4.841) 9.165 9.465 ( 5.966 -3.617 2.100) 7.286 10.998 ( 18.094 -8.025 -0.714) 19.807 11.338 ( -7.900 1.532 -0.980) 8.107 12.222 ( -13.152 2.863 -0.781) 13.483 ======================= Grid point 751 (292/489) ======================= q-point: (-0.18 -0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.335 ( 1.228 -0.162 0.771) 1.459 3.398 ( 2.759 -7.541 -0.814) 8.072 3.749 ( 4.399 4.749 6.620) 9.259 4.494 ( -4.864 -0.962 -2.448) 5.529 4.576 ( 9.697 -9.313 -3.444) 13.879 5.157 ( -5.701 4.040 0.481) 7.004 8.208 ( 3.846 -1.793 -3.458) 5.474 8.590 ( -1.854 7.028 7.320) 10.316 9.518 ( 7.930 -11.976 1.048) 14.402 11.052 ( 3.865 -14.653 1.853) 15.267 11.349 ( 2.707 6.248 -5.453) 8.723 12.078 ( -7.895 7.321 1.065) 10.819 ======================= Grid point 764 (293/489) ======================= q-point: ( 0.59 0.59 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.285 ( -0.000 2.661 1.153) 2.900 2.574 ( 0.000 2.510 -0.332) 2.532 3.571 ( 0.000 -0.601 -3.065) 3.123 3.712 ( -0.000 4.139 3.567) 5.464 4.955 ( -0.000 -3.310 0.586) 3.362 5.810 ( 0.000 2.982 -2.143) 3.673 6.746 ( -0.000 0.983 1.712) 1.974 8.910 ( -0.000 -2.990 1.843) 3.512 9.467 ( -0.000 1.801 3.493) 3.930 9.840 ( -0.000 3.424 0.531) 3.465 11.750 ( -0.000 1.092 1.298) 1.697 12.731 ( 0.000 1.006 -2.674) 2.857 ======================= Grid point 765 (294/489) ======================= q-point: (-0.35 -0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.308 ( -0.302 1.355 2.012) 2.444 2.666 ( 8.713 0.444 -0.058) 8.724 3.610 ( 7.690 -2.109 -4.342) 9.079 3.747 ( -2.262 4.017 6.639) 8.083 4.902 ( -2.347 -3.266 -1.243) 4.209 5.776 ( -4.024 -1.039 -3.060) 5.160 6.921 ( 18.240 0.558 2.174) 18.377 8.782 ( -10.399 -3.029 1.082) 10.885 9.486 ( -2.418 4.603 4.898) 7.144 10.006 ( 15.455 -0.715 0.714) 15.488 11.722 ( -3.443 -1.597 0.784) 3.876 12.699 ( -4.193 1.384 -2.295) 4.976 ======================= Grid point 766 (295/489) ======================= q-point: (-0.29 -0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.313 ( -0.354 -0.456 2.092) 2.171 2.853 ( 13.459 -2.164 -0.265) 13.635 3.753 ( 3.287 2.770 1.960) 4.725 3.776 ( 8.238 -1.721 3.570) 9.142 4.807 ( -4.305 -2.772 -3.159) 6.017 5.643 ( -7.068 -4.222 -3.255) 8.853 7.351 ( 29.200 0.685 2.627) 29.326 8.568 ( -10.647 -2.071 0.117) 10.847 9.494 ( -4.004 3.546 6.415) 8.352 10.301 ( 20.509 -3.699 -0.044) 20.840 11.612 ( -6.401 -3.305 -0.061) 7.205 12.602 ( -8.137 1.651 -1.893) 8.515 ======================= Grid point 767 (296/489) ======================= q-point: (-0.24 -0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( 0.303 -1.912 1.757) 2.614 3.056 ( 14.113 -5.083 -0.610) 15.013 3.770 ( -3.486 3.463 9.769) 10.936 4.016 ( 18.488 -4.404 -1.815) 19.091 4.690 ( -5.338 -1.090 -4.857) 7.299 5.447 ( -8.381 -5.776 -2.634) 10.514 7.875 ( 26.786 1.299 2.125) 26.901 8.427 ( -2.699 0.269 1.202) 2.967 9.444 ( -5.011 -3.012 5.970) 8.356 10.597 ( 19.395 -6.960 -0.303) 20.608 11.463 ( -6.739 -1.805 -1.761) 7.195 12.451 ( -10.860 2.377 -1.118) 11.173 ======================= Grid point 768 (297/489) ======================= q-point: (-0.18 -0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.304 ( 1.531 -2.369 1.293) 3.103 3.201 ( 10.089 -8.923 -0.766) 13.490 3.785 ( -1.038 2.390 9.884) 10.222 4.249 ( 15.047 -8.474 -1.623) 17.345 4.588 ( -4.818 2.450 -6.240) 8.255 5.258 ( -5.905 -4.274 -1.191) 7.386 8.125 ( 3.991 -0.978 -3.355) 5.305 8.610 ( 13.913 6.969 8.627) 17.793 9.300 ( -1.960 -14.912 2.704) 15.281 10.786 ( 11.641 -9.947 0.875) 15.337 11.373 ( -1.694 1.515 -4.938) 5.436 12.299 ( -9.925 4.880 0.524) 11.073 ======================= Grid point 782 (298/489) ======================= q-point: (-0.35 -0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.327 ( -0.000 -0.100 2.782) 2.783 2.584 ( -0.000 -1.616 0.157) 1.624 3.491 ( 0.000 -4.181 -6.495) 7.725 3.835 ( -0.000 4.063 9.547) 10.375 4.883 ( 0.000 -3.131 -3.184) 4.466 5.766 ( 0.000 -5.372 -4.030) 6.716 6.769 ( -0.000 -0.023 2.628) 2.628 8.858 ( -0.000 -2.769 -0.010) 2.769 9.577 ( -0.000 5.611 7.878) 9.672 9.845 ( -0.000 -3.363 0.756) 3.447 11.725 ( -0.000 -4.184 0.093) 4.185 12.744 ( 0.000 1.786 -2.100) 2.757 ======================= Grid point 783 (299/489) ======================= q-point: (-0.29 -0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.317 ( -0.733 -2.331 2.611) 3.576 2.630 ( 8.283 -4.270 -0.133) 9.320 3.502 ( 9.228 -4.856 -6.057) 12.059 3.886 ( -2.384 3.498 11.942) 12.670 4.822 ( -2.122 -2.525 -5.167) 6.131 5.652 ( -3.220 -8.997 -4.372) 10.509 6.940 ( 18.578 -0.229 2.767) 18.785 8.733 ( -9.982 -1.897 -0.924) 10.203 9.625 ( -3.946 3.160 9.646) 10.890 9.951 ( 15.269 -4.147 0.846) 15.845 11.645 ( -3.021 -6.078 -0.916) 6.849 12.720 ( -4.265 2.000 -1.933) 5.092 ======================= Grid point 784 (300/489) ======================= q-point: (-0.24 -0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.280 ( -0.273 -4.501 2.022) 4.942 2.757 ( 12.920 -7.339 -0.832) 14.883 3.663 ( 16.202 -4.766 -3.678) 17.285 3.899 ( -3.862 1.669 12.871) 13.541 4.738 ( -3.416 -0.582 -6.611) 7.464 5.465 ( -4.947 -11.300 -4.053) 12.984 7.378 ( 30.318 0.376 2.634) 30.435 8.538 ( -9.622 -0.663 -0.813) 9.679 9.548 ( -7.419 -5.687 8.711) 12.778 10.226 ( 18.449 -1.952 1.913) 18.650 11.512 ( -4.381 -5.875 -2.564) 7.764 12.629 ( -7.875 2.203 -1.513) 8.316 ======================= Grid point 785 (301/489) ======================= q-point: (-0.18 -0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.243 ( 1.458 -5.603 1.487) 5.978 2.898 ( 13.357 -10.559 -1.003) 17.056 3.873 ( -3.170 -0.587 10.579) 11.059 3.896 ( 16.449 -6.721 -0.817) 17.788 4.666 ( -3.620 2.995 -6.911) 8.356 5.258 ( -3.986 -11.464 -3.104) 12.528 7.906 ( 24.956 1.366 -0.111) 24.994 8.452 ( 3.205 0.430 3.002) 4.412 9.306 ( -11.114 -16.087 5.718) 20.372 10.512 ( 14.580 -0.354 3.263) 14.944 11.382 ( -2.972 -4.638 -5.186) 7.565 12.502 ( -9.078 3.254 -0.306) 9.648 ======================= Grid point 800 (302/489) ======================= q-point: (-0.29 -0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.300 ( -0.000 -4.654 2.438) 5.254 2.501 ( 0.000 -6.976 -0.613) 7.003 3.343 ( 0.000 -5.771 -6.910) 9.003 3.976 ( -0.000 1.708 13.900) 14.004 4.799 ( 0.000 -1.636 -6.988) 7.177 5.554 ( 0.000 -13.095 -4.812) 13.951 6.779 ( -0.000 -0.680 2.834) 2.914 8.809 ( 0.000 -1.375 -2.194) 2.590 9.718 ( -0.000 -9.887 0.586) 9.905 9.773 ( -0.000 6.622 13.444) 14.986 11.594 ( 0.000 -7.914 -2.101) 8.188 12.771 ( 0.000 2.247 -2.056) 3.045 ======================= Grid point 801 (303/489) ======================= q-point: (-0.24 -0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.238 ( -0.834 -7.286 1.694) 7.526 2.485 ( 8.018 -10.128 -1.701) 13.029 3.364 ( 10.752 -5.228 -4.641) 12.824 4.000 ( -2.521 -1.897 13.757) 14.114 4.756 ( -1.467 0.981 -7.568) 7.771 5.375 ( -2.112 -15.954 -4.636) 16.747 6.950 ( 19.144 -0.413 2.589) 19.323 8.701 ( -9.207 -0.244 -2.312) 9.496 9.579 ( -3.837 -13.646 4.605) 14.904 9.989 ( 12.062 4.557 10.855) 16.855 11.488 ( -2.074 -7.414 -3.830) 8.599 12.750 ( -4.264 2.276 -2.045) 5.248 ======================= Grid point 802 (304/489) ======================= q-point: (-0.18 -0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( 0.656 -9.221 1.121) 9.312 2.550 ( 12.931 -12.838 -2.015) 18.332 3.545 ( 16.291 -5.160 -1.872) 17.191 3.943 ( -3.628 -6.325 11.023) 13.217 4.731 ( -2.225 4.934 -6.244) 8.263 5.156 ( -2.221 -17.218 -4.147) 17.850 7.402 ( 31.334 0.748 1.738) 31.391 8.532 ( -8.935 0.378 -0.552) 8.960 9.314 ( -8.938 -21.534 4.520) 23.749 10.308 ( 15.088 4.893 9.864) 18.679 11.361 ( -3.340 -5.773 -6.298) 9.173 12.667 ( -7.113 2.498 -1.340) 7.657 ======================= Grid point 818 (305/489) ======================= q-point: (-0.24 -0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.166 ( -0.000 -10.144 0.767) 10.173 2.291 ( 0.000 -13.212 -3.225) 13.600 3.201 ( 0.000 -4.792 -3.482) 5.923 4.017 ( -0.000 -7.929 11.544) 14.005 4.770 ( 0.000 4.424 -6.292) 7.692 5.205 ( 0.000 -19.023 -4.286) 19.499 6.783 ( -0.000 -0.578 2.316) 2.387 8.777 ( 0.000 -0.064 -3.586) 3.586 9.471 ( -0.000 -15.205 0.003) 15.205 9.963 ( -0.000 0.314 19.215) 19.218 11.428 ( 0.000 -4.953 -5.414) 7.338 12.802 ( 0.000 2.291 -2.583) 3.453 ======================= Grid point 819 (306/489) ======================= q-point: (-0.18 -0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.048 ( -0.313 -12.692 -0.020) 12.696 2.212 ( 8.608 -15.501 -3.821) 18.138 3.253 ( 11.116 -4.042 -0.896) 11.862 3.921 ( -1.629 -13.825 7.194) 15.670 4.807 ( -1.161 7.891 -3.374) 8.660 4.983 ( -1.250 -20.570 -3.872) 20.968 6.961 ( 19.899 0.206 1.688) 19.971 8.692 ( -7.888 0.779 -2.692) 8.371 9.239 ( -7.273 -21.732 1.720) 22.981 10.126 ( 13.109 -2.750 17.468) 22.012 11.361 ( -2.749 -0.154 -7.002) 7.524 12.780 ( -3.996 2.196 -2.581) 5.240 ======================= Grid point 836 (307/489) ======================= q-point: (-0.18 -0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( 0.000 -15.435 -1.395) 15.498 1.953 ( 0.000 -17.854 -5.301) 18.625 3.119 ( -0.000 -2.885 1.213) 3.130 3.776 ( -0.000 -20.774 2.729) 20.952 4.770 ( 0.000 -21.810 -2.602) 21.965 4.905 ( 0.000 9.978 -0.789) 10.010 6.789 ( -0.000 0.213 1.117) 1.137 8.745 ( 0.000 -1.619 -3.828) 4.156 9.133 ( -0.000 -18.550 -0.732) 18.564 9.970 ( -0.000 -13.324 21.751) 25.508 11.401 ( 0.000 7.117 -6.651) 9.741 12.825 ( 0.000 1.976 -3.602) 4.108 ======================= Grid point 927 (308/489) ======================= q-point: ( 0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.602 ( -0.000 0.000 19.912) 19.912 0.602 ( -0.000 0.000 19.912) 19.912 1.189 ( -0.000 0.000 38.533) 38.533 3.051 ( 0.000 -0.000 -6.412) 6.412 3.051 ( 0.000 -0.000 -6.412) 6.412 6.163 ( 0.000 -0.000 -8.862) 8.862 7.033 ( -0.000 0.000 0.420) 0.420 7.033 ( -0.000 0.000 0.420) 0.420 7.718 ( -0.000 0.000 0.012) 0.012 7.718 ( -0.000 0.000 0.012) 0.012 12.505 ( -0.000 0.000 1.735) 1.735 12.778 ( -0.000 0.000 1.384) 1.384 ======================= Grid point 928 (309/489) ======================= q-point: ( 0.24 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.722 ( 6.806 3.929 16.716) 18.471 0.858 ( 8.429 4.866 21.179) 23.309 1.488 ( 17.257 9.963 25.745) 32.556 3.070 ( 7.400 4.273 -6.520) 10.749 3.114 ( 3.715 2.145 -4.745) 6.397 5.754 ( -15.030 -8.678 0.467) 17.361 6.940 ( -5.436 -3.138 -0.832) 6.331 7.281 ( 17.938 10.356 -0.558) 20.720 7.814 ( 7.901 4.562 0.419) 9.133 8.687 ( 49.696 28.692 -25.792) 62.914 12.402 ( -9.690 -5.595 1.415) 11.278 12.721 ( -4.109 -2.372 0.901) 4.829 ======================= Grid point 929 (310/489) ======================= q-point: ( 0.29 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( 11.596 6.695 12.520) 18.332 1.073 ( 6.022 3.477 21.066) 22.184 2.048 ( 24.963 14.413 7.810) 29.865 3.185 ( 3.476 2.007 -2.486) 4.721 3.347 ( 17.672 10.203 -1.858) 20.490 5.521 ( -7.270 -4.197 -1.485) 8.525 6.813 ( -4.903 -2.830 -2.156) 6.058 7.740 ( 21.201 12.240 -2.836) 24.644 8.052 ( 12.505 7.220 0.992) 14.474 9.494 ( 29.692 17.143 -11.816) 36.265 12.107 ( -15.431 -8.909 -0.643) 17.830 12.632 ( -3.622 -2.091 -1.621) 4.485 ======================= Grid point 930 (311/489) ======================= q-point: ( 0.35 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( 9.384 5.418 13.875) 17.605 1.308 ( 13.506 7.798 9.359) 18.188 2.609 ( 23.138 13.359 -2.299) 26.816 3.253 ( 2.810 1.623 -0.047) 3.245 3.821 ( 22.860 13.198 3.309) 26.603 5.377 ( -5.429 -3.134 -0.679) 6.305 6.718 ( -2.509 -1.448 -2.936) 4.125 8.163 ( 16.385 9.460 -4.860) 19.533 8.375 ( 15.348 8.861 1.224) 17.765 10.059 ( 22.746 13.132 0.759) 26.276 11.728 ( -17.060 -9.850 -2.292) 19.832 12.549 ( -2.771 -1.600 -3.821) 4.984 ======================= Grid point 931 (312/489) ======================= q-point: ( 0.41 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( 11.674 6.740 6.698) 15.052 1.645 ( 13.667 7.891 6.775) 17.174 3.073 ( 19.069 11.009 -7.187) 23.162 3.310 ( 1.912 1.104 2.202) 3.118 4.360 ( 22.504 12.993 5.438) 26.548 5.267 ( -4.382 -2.530 1.637) 5.317 6.683 ( 0.227 0.131 -3.115) 3.126 8.446 ( 10.087 5.824 -3.546) 12.176 8.745 ( 16.719 9.652 1.056) 19.334 10.530 ( 17.674 10.204 -1.474) 20.461 11.345 ( -15.393 -8.887 1.895) 17.875 12.489 ( -1.181 -0.682 -4.447) 4.652 ======================= Grid point 932 (313/489) ======================= q-point: ( 0.47 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( 11.569 6.680 1.483) 13.441 1.962 ( 12.531 7.235 4.449) 15.138 3.352 ( 0.863 0.498 4.060) 4.180 3.429 ( 14.771 8.528 -9.417) 19.483 4.845 ( 18.114 10.458 5.198) 21.553 5.189 ( -3.091 -1.785 4.163) 5.484 6.704 ( 2.274 1.313 -2.917) 3.925 8.621 ( 6.358 3.671 -0.324) 7.349 9.126 ( 16.256 9.385 0.586) 18.780 10.665 ( -6.510 -3.759 -19.922) 21.293 11.225 ( 5.857 3.382 16.537) 17.866 12.469 ( 0.399 0.230 -3.080) 3.114 ======================= Grid point 933 (314/489) ======================= q-point: ( 0.53 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( 9.641 5.566 -1.676) 11.257 2.234 ( 10.364 5.984 2.406) 12.207 3.374 ( -0.356 -0.206 5.483) 5.498 3.691 ( 11.417 6.592 -10.668) 16.959 5.075 ( -1.944 -1.122 4.560) 5.082 5.274 ( 11.455 6.614 5.619) 14.371 6.758 ( 3.047 1.759 -2.671) 4.418 8.754 ( 5.446 3.144 2.059) 6.617 9.471 ( 13.694 7.906 -0.009) 15.813 10.326 ( -14.590 -8.423 -16.512) 23.589 11.498 ( 11.196 6.464 8.252) 15.337 12.483 ( 1.267 0.731 -0.386) 1.513 ======================= Grid point 934 (315/489) ======================= q-point: ( 0.59 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.280 ( 6.680 3.857 -2.958) 8.261 2.442 ( 7.324 4.229 0.823) 8.497 3.370 ( -1.700 -0.981 6.451) 6.743 3.891 ( 9.604 5.545 -11.705) 16.124 4.997 ( -5.358 -3.093 5.297) 8.145 5.522 ( 7.850 4.532 4.953) 10.329 6.815 ( 2.526 1.459 -2.573) 3.890 8.883 ( 5.012 2.893 2.144) 6.171 9.732 ( 9.170 5.295 -0.548) 10.603 9.966 ( -11.968 -6.909 -12.755) 18.805 11.729 ( 7.195 4.154 1.609) 8.462 12.520 ( 1.656 0.956 2.436) 3.097 ======================= Grid point 935 (316/489) ======================= q-point: ( 0.65 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.384 ( 3.284 1.896 -2.906) 4.778 2.566 ( 3.336 1.926 -0.063) 3.853 3.339 ( -2.854 -1.648 6.781) 7.540 4.059 ( 8.656 4.998 -12.925) 16.338 4.875 ( -6.779 -3.914 5.836) 9.764 5.649 ( 1.853 1.070 4.651) 5.119 6.850 ( 1.198 0.692 -2.584) 2.930 8.958 ( 0.327 0.189 -0.473) 0.606 9.757 ( -2.139 -1.235 -8.529) 8.879 9.873 ( 3.266 1.886 -0.878) 3.872 11.821 ( 0.785 0.453 -1.864) 2.073 12.574 ( 2.104 1.215 4.242) 4.889 ======================= Grid point 936 (317/489) ======================= q-point: (-0.29 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.408 ( -0.536 -0.309 -2.310) 2.392 2.585 ( -1.814 -1.048 0.119) 2.098 3.288 ( -3.269 -1.888 6.025) 7.110 4.197 ( 7.079 4.087 -14.441) 16.594 4.738 ( -6.787 -3.919 7.411) 10.786 5.633 ( -4.586 -2.647 4.247) 6.788 6.852 ( -0.186 -0.108 -2.516) 2.525 8.892 ( -4.620 -2.667 -1.994) 5.695 9.820 ( 8.566 4.946 -7.260) 12.269 9.872 ( -3.119 -1.801 -0.904) 3.713 11.755 ( -5.784 -3.339 -2.122) 7.008 12.639 ( 2.306 1.331 4.690) 5.393 ======================= Grid point 937 (318/489) ======================= q-point: (-0.24 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.340 ( -4.949 -2.857 -1.566) 5.926 2.480 ( -7.564 -4.367 1.475) 8.858 3.233 ( -2.973 -1.716 3.993) 5.265 4.252 ( 0.516 0.298 -13.698) 13.711 4.651 ( -1.774 -1.024 7.817) 8.081 5.469 ( -10.919 -6.304 3.657) 13.128 6.830 ( -0.955 -0.551 -2.221) 2.480 8.790 ( -3.340 -1.929 -0.150) 3.860 9.730 ( -8.985 -5.187 -0.594) 10.392 10.025 ( 10.678 6.165 -11.726) 17.016 11.565 ( -9.884 -5.707 0.544) 11.427 12.706 ( 2.203 1.272 4.584) 5.243 ======================= Grid point 938 (319/489) ======================= q-point: (-0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.172 ( -9.520 -5.496 -0.473) 11.003 2.259 ( -12.402 -7.160 3.349) 14.707 3.178 ( -2.702 -1.560 1.373) 3.409 4.107 ( -9.882 -5.705 -6.776) 13.271 4.725 ( 5.939 3.429 2.677) 7.361 5.169 ( -16.212 -9.360 3.140) 18.982 6.802 ( -0.795 -0.459 -1.707) 1.938 8.749 ( -0.814 -0.470 2.388) 2.566 9.471 ( -13.471 -7.778 -0.002) 15.555 10.150 ( 2.622 1.514 -19.438) 19.673 11.373 ( -5.871 -3.390 5.755) 8.893 12.768 ( 2.055 1.187 4.309) 4.919 ======================= Grid point 945 (320/489) ======================= q-point: ( 0.24 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( -0.000 10.658 17.583) 20.560 0.901 ( -0.000 14.915 16.751) 22.429 1.562 ( -0.000 15.335 28.027) 31.948 2.936 ( 0.000 -2.673 -7.696) 8.147 3.194 ( 0.000 13.960 -4.800) 14.763 5.765 ( -0.000 -17.579 -0.702) 17.593 7.019 ( -0.000 -3.489 -0.026) 3.489 7.116 ( 0.000 12.825 -1.389) 12.900 7.828 ( 0.000 10.360 0.624) 10.379 8.577 ( 0.000 49.574 -20.863) 53.785 12.423 ( -0.000 -8.810 1.591) 8.952 12.764 ( 0.000 -0.446 -0.291) 0.533 ======================= Grid point 946 (321/489) ======================= q-point: ( 0.29 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( 1.914 14.988 13.528) 20.281 1.133 ( 2.584 8.453 20.911) 22.703 1.928 ( 12.406 21.237 12.554) 27.614 2.998 ( 11.074 -1.198 -5.281) 12.327 3.355 ( 2.615 18.087 -2.327) 18.422 5.561 ( -5.142 -9.201 -1.766) 10.687 7.065 ( -13.569 14.841 -2.316) 20.241 7.258 ( 24.034 -5.370 -1.645) 24.682 8.059 ( 8.385 16.167 0.791) 18.229 9.155 ( 24.699 25.604 -14.462) 38.402 12.244 ( -9.750 -10.286 0.613) 14.186 12.704 ( -5.490 0.373 -1.690) 5.757 ======================= Grid point 947 (322/489) ======================= q-point: ( 0.35 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( 5.299 13.102 10.361) 17.524 1.321 ( 4.153 10.745 17.965) 21.342 2.411 ( 17.191 19.407 -0.547) 25.932 3.177 ( 9.246 1.324 -2.600) 9.695 3.667 ( 12.885 19.177 2.959) 23.293 5.407 ( -3.859 -5.979 -1.560) 7.285 6.948 ( -15.701 16.906 -2.737) 23.234 7.683 ( 31.870 -7.298 -3.520) 32.884 8.356 ( 6.982 15.591 0.378) 17.087 9.757 ( 26.419 13.754 -3.788) 30.025 11.925 ( -15.698 -8.968 -0.496) 18.086 12.601 ( -5.529 0.102 -3.199) 6.389 ======================= Grid point 948 (323/489) ======================= q-point: ( 0.41 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( 7.104 8.178 9.782) 14.595 1.623 ( 7.450 16.954 8.893) 20.543 2.863 ( 17.035 14.923 -6.364) 23.524 3.307 ( 3.710 4.341 -0.614) 5.743 4.147 ( 19.632 16.121 6.073) 26.118 5.295 ( -2.936 -4.872 0.270) 5.694 6.867 ( -12.349 17.384 -2.974) 21.531 8.139 ( 28.160 -2.984 -4.536) 28.678 8.599 ( 8.046 8.115 1.530) 11.530 10.282 ( 21.993 9.218 -1.832) 23.917 11.564 ( -16.977 -5.970 1.497) 18.059 12.509 ( -3.568 -0.215 -4.047) 5.399 ======================= Grid point 949 (324/489) ======================= q-point: ( 0.47 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( 9.222 7.768 4.217) 12.774 1.939 ( 7.018 16.843 5.793) 19.144 3.232 ( 14.505 9.732 -8.706) 19.517 3.397 ( 0.772 6.630 1.752) 6.900 4.644 ( 19.353 11.866 6.033) 23.490 5.212 ( -1.992 -4.280 2.497) 5.341 6.850 ( -9.028 17.812 -2.927) 20.183 8.505 ( 14.455 3.446 -2.849) 15.130 8.845 ( 17.689 -0.770 1.796) 17.796 10.595 ( 7.382 1.723 -13.886) 15.820 11.320 ( -7.736 1.729 11.695) 14.128 12.456 ( -0.745 -0.551 -3.228) 3.358 ======================= Grid point 950 (325/489) ======================= q-point: ( 0.53 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( 9.189 6.518 0.095) 11.266 2.220 ( 5.424 15.552 3.380) 16.814 3.430 ( 1.434 4.729 0.269) 4.949 3.539 ( 8.715 8.766 -6.265) 13.858 5.037 ( 10.975 4.916 4.404) 12.807 5.174 ( 3.349 -1.740 4.759) 6.074 6.883 ( -6.919 17.866 -2.790) 19.361 8.691 ( 5.690 2.876 1.764) 6.615 9.183 ( 22.063 -2.840 -1.653) 22.307 10.465 ( -11.565 -1.984 -16.978) 20.638 11.431 ( 6.897 6.762 11.087) 14.705 12.451 ( 1.727 -1.171 -0.784) 2.229 ======================= Grid point 951 (326/489) ======================= q-point: ( 0.59 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.190 ( 7.527 4.627 -2.234) 9.114 2.445 ( 3.199 13.360 1.600) 13.830 3.471 ( -3.306 6.319 4.395) 8.377 3.739 ( 9.375 5.229 -9.756) 14.506 5.045 ( -3.053 -4.397 4.047) 6.711 5.404 ( 11.940 2.922 5.042) 13.286 6.937 ( -6.376 17.439 -2.752) 18.771 8.802 ( 5.386 -0.848 3.063) 6.253 9.474 ( 16.806 -5.280 -5.058) 18.328 10.193 ( -14.534 5.224 -10.660) 18.767 11.644 ( 7.630 4.021 3.634) 9.359 12.481 ( 3.153 -1.808 2.091) 4.193 ======================= Grid point 952 (327/489) ======================= q-point: ( 0.65 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.323 ( 4.964 2.393 -2.951) 6.251 2.598 ( 0.363 10.624 0.493) 10.641 3.473 ( -6.120 7.123 5.816) 11.046 3.904 ( 9.219 3.419 -11.458) 15.098 4.942 ( -4.693 -5.576 4.358) 8.491 5.595 ( 6.780 -0.300 4.765) 8.292 6.982 ( -7.128 16.722 -2.809) 18.394 8.864 ( 4.781 -6.681 0.951) 8.270 9.601 ( 8.637 -6.257 -8.116) 13.402 10.058 ( -9.867 13.551 -3.183) 17.062 11.769 ( 4.155 -0.442 -0.955) 4.286 12.532 ( 3.855 -2.048 4.021) 5.934 ======================= Grid point 953 (328/489) ======================= q-point: (-0.29 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.385 ( 1.842 0.037 -2.727) 3.291 2.663 ( -3.461 7.570 0.113) 8.325 3.442 ( -8.105 7.552 6.044) 12.619 4.047 ( 8.686 2.301 -13.157) 15.933 4.814 ( -5.246 -5.835 5.468) 9.563 5.653 ( 0.430 -3.652 4.581) 5.875 7.002 ( -8.483 16.046 -2.804) 18.366 8.827 ( 1.865 -11.213 -1.700) 11.493 9.681 ( 8.399 0.252 -7.302) 11.132 10.032 ( -9.057 11.927 -0.761) 14.995 11.765 ( -1.001 -4.626 -2.181) 5.211 12.595 ( 4.201 -2.073 4.472) 6.476 ======================= Grid point 954 (329/489) ======================= q-point: (-0.24 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.365 ( -1.980 -2.362 -2.198) 3.786 2.623 ( -8.436 4.392 0.625) 9.531 3.389 ( -9.025 7.896 5.117) 13.038 4.147 ( 6.033 0.277 -14.579) 15.781 4.702 ( -3.636 -4.354 7.507) 9.409 5.565 ( -6.325 -6.902 4.287) 10.296 6.994 ( -9.649 15.752 -2.593) 18.654 8.736 ( 1.438 -10.315 -1.129) 10.476 9.789 ( 2.844 -2.973 -6.046) 7.313 9.990 ( -5.070 12.620 -3.741) 14.106 11.640 ( -5.950 -7.060 -0.596) 9.252 12.660 ( 4.252 -2.144 4.109) 6.290 ======================= Grid point 955 (330/489) ======================= q-point: (-0.18 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( -6.419 -4.656 -1.419) 8.056 2.467 ( -13.677 1.604 1.992) 13.915 3.325 ( -9.209 7.966 3.220) 12.594 4.127 ( -1.813 -4.308 -12.230) 13.092 4.686 ( 2.313 -0.173 6.704) 7.094 5.333 ( -12.648 -9.668 3.947) 16.402 6.973 ( -10.098 16.147 -2.172) 19.167 8.685 ( 3.297 -7.928 0.971) 8.641 9.609 ( -12.149 -8.894 -1.867) 15.173 10.107 ( 3.024 11.501 -13.226) 17.786 11.453 ( -7.090 -6.613 3.473) 10.298 12.723 ( 4.165 -2.196 3.518) 5.878 ======================= Grid point 963 (331/489) ======================= q-point: ( 0.29 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( -0.000 13.925 13.933) 19.698 1.276 ( -0.000 11.846 17.035) 20.749 2.111 ( -0.000 26.184 10.497) 28.210 2.870 ( 0.000 0.825 -5.462) 5.523 3.520 ( 0.000 20.794 -1.668) 20.861 5.498 ( 0.000 -10.221 -1.971) 10.409 6.921 ( 0.000 -5.263 -1.665) 5.520 7.496 ( 0.000 25.785 -3.238) 25.988 8.098 ( 0.000 15.714 1.170) 15.757 9.142 ( 0.000 20.880 -8.592) 22.579 12.213 ( -0.000 -12.636 0.464) 12.644 12.759 ( 0.000 1.043 -3.909) 4.046 ======================= Grid point 964 (332/489) ======================= q-point: ( 0.35 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( 1.100 14.121 10.057) 17.371 1.444 ( 1.891 11.580 17.226) 20.842 2.437 ( 5.569 25.212 0.136) 25.820 2.988 ( 11.470 2.936 -2.576) 12.117 3.759 ( 3.413 22.766 1.673) 23.082 5.382 ( -1.834 -7.881 -1.457) 8.222 7.082 ( 23.770 -6.214 -3.099) 24.763 7.508 ( -21.465 26.392 -3.058) 34.156 8.381 ( 8.348 15.508 0.507) 17.619 9.470 ( 19.649 12.548 -1.768) 23.381 12.022 ( -7.386 -12.119 0.024) 14.192 12.701 ( -5.711 1.423 -4.960) 7.696 ======================= Grid point 965 (333/489) ======================= q-point: ( 0.41 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( 1.455 9.675 10.438) 14.306 1.719 ( 6.304 17.493 9.905) 21.068 2.782 ( 9.583 20.157 -6.198) 23.163 3.220 ( 10.746 4.516 -2.077) 11.840 4.102 ( 9.510 21.603 5.825) 24.312 5.279 ( -1.783 -6.375 0.111) 6.621 7.381 ( -20.820 27.539 -3.345) 34.685 7.518 ( 33.067 -6.381 -3.992) 33.913 8.600 ( 3.317 8.802 1.278) 9.492 9.967 ( 24.258 8.532 0.108) 25.714 11.753 ( -11.548 -8.414 1.286) 14.346 12.587 ( -6.634 1.205 -5.262) 8.553 ======================= Grid point 966 (334/489) ======================= q-point: ( 0.47 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( 4.777 8.931 5.950) 11.747 2.037 ( 6.283 19.040 6.616) 21.113 3.098 ( 10.340 13.381 -8.703) 19.019 3.418 ( 6.394 7.611 -0.826) 9.975 4.513 ( 13.384 16.441 6.760) 22.251 5.197 ( -1.309 -5.630 1.964) 6.105 7.307 ( -18.051 27.733 -2.855) 33.213 8.044 ( 34.482 -3.232 -5.105) 35.008 8.702 ( 2.593 1.713 3.054) 4.357 10.381 ( 16.336 3.454 -5.872) 17.700 11.519 ( -9.893 -1.463 6.578) 11.970 12.481 ( -4.425 0.146 -4.590) 6.377 ======================= Grid point 967 (335/489) ======================= q-point: ( 0.53 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( 6.642 7.553 1.851) 10.227 2.335 ( 4.243 19.242 4.011) 20.109 3.330 ( 9.066 6.145 -8.979) 14.163 3.592 ( 2.700 11.870 0.810) 12.200 4.896 ( 13.463 9.783 5.480) 17.521 5.135 ( -0.502 -5.413 3.377) 6.400 7.292 ( -14.729 27.482 -2.683) 31.295 8.551 ( 24.372 2.755 -4.102) 24.868 8.770 ( 9.279 -6.679 2.366) 11.675 10.505 ( 0.618 -0.347 -12.312) 12.333 11.480 ( -0.599 5.360 10.759) 12.035 12.417 ( -0.838 -1.697 -2.472) 3.113 ======================= Grid point 968 (336/489) ======================= q-point: ( 0.59 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( 6.670 5.528 -0.978) 8.718 2.577 ( 1.376 18.071 2.096) 18.244 3.488 ( 7.515 3.243 -6.566) 10.494 3.735 ( -0.585 12.827 -0.079) 12.841 5.049 ( -1.536 -4.541 3.317) 5.830 5.228 ( 12.725 2.360 4.775) 13.795 7.320 ( -12.671 26.883 -2.745) 29.846 8.731 ( 2.098 -2.147 3.537) 4.639 9.048 ( 24.740 -5.293 -6.828) 26.205 10.410 ( -7.485 4.938 -9.108) 12.782 11.600 ( 3.710 4.532 5.985) 8.374 12.403 ( 2.630 -3.741 0.672) 4.622 ======================= Grid point 969 (337/489) ======================= q-point: ( 0.65 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.252 ( 5.329 3.211 -2.322) 6.641 2.747 ( -1.545 15.823 1.006) 15.930 3.613 ( 4.017 4.922 -2.674) 6.893 3.825 ( -0.984 10.180 -3.557) 10.828 4.960 ( -3.295 -6.461 3.265) 7.953 5.450 ( 10.457 -1.354 4.259) 11.372 7.362 ( -12.186 26.323 -3.014) 29.163 8.722 ( 2.675 -8.999 1.422) 9.495 9.327 ( 15.247 -2.640 -7.279) 17.100 10.345 ( -7.994 13.115 -3.626) 15.781 11.693 ( 3.134 -0.415 0.540) 3.207 12.432 ( 4.889 -4.985 3.269) 7.709 ======================= Grid point 970 (338/489) ======================= q-point: ( 0.71 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.337 ( 3.083 0.963 -2.532) 4.103 2.840 ( -4.653 13.076 0.568) 13.891 3.687 ( -4.226 9.881 2.457) 11.024 3.899 ( 4.134 4.549 -9.607) 11.405 4.841 ( -3.905 -7.173 3.770) 8.995 5.573 ( 5.662 -4.780 4.137) 8.487 7.396 ( -13.018 25.961 -3.193) 29.217 8.660 ( 2.545 -12.131 -0.922) 12.429 9.497 ( 10.065 -0.518 -6.273) 11.871 10.343 ( -9.693 16.320 -0.673) 18.993 11.699 ( 1.342 -5.674 -1.872) 6.123 12.486 ( 5.820 -5.364 4.095) 8.911 ======================= Grid point 971 (339/489) ======================= q-point: (-0.24 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.357 ( 0.008 -1.050 -2.268) 2.499 2.845 ( -8.546 10.196 0.525) 13.315 3.682 ( -10.104 12.582 4.131) 16.658 3.987 ( 6.774 0.492 -13.074) 14.733 4.726 ( -2.922 -6.440 5.484) 8.949 5.569 ( -0.706 -7.538 4.065) 8.593 7.407 ( -14.269 25.733 -2.958) 29.572 8.583 ( 2.582 -10.893 -1.327) 11.273 9.626 ( 8.264 -2.086 -6.654) 10.813 10.303 ( -12.992 15.243 -0.210) 20.030 11.622 ( -1.381 -8.345 -1.240) 8.548 12.547 ( 6.063 -5.374 3.631) 8.879 ======================= Grid point 972 (340/489) ======================= q-point: (-0.18 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.299 ( -3.923 -2.769 -1.861) 5.150 2.749 ( -13.191 7.369 0.941) 15.139 3.628 ( -12.089 12.682 3.358) 17.840 4.027 ( 3.569 -2.949 -13.581) 14.348 4.671 ( 0.473 -3.383 7.146) 7.921 5.426 ( -7.585 -9.570 3.991) 12.847 7.403 ( -14.987 26.089 -2.337) 30.178 8.536 ( 3.477 -8.322 -0.399) 9.028 9.623 ( -1.761 -10.123 -6.601) 12.213 10.252 ( -7.816 15.362 -3.540) 17.596 11.491 ( -4.322 -7.824 1.819) 9.122 12.609 ( 6.041 -5.150 2.667) 8.374 ======================= Grid point 981 (341/489) ======================= q-point: ( 0.35 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( -0.000 14.530 9.082) 17.135 1.590 ( -0.000 10.185 13.516) 16.924 2.659 ( 0.000 25.888 -2.870) 26.047 2.911 ( 0.000 5.317 -0.414) 5.333 3.971 ( -0.000 24.500 2.126) 24.592 5.315 ( -0.000 -7.687 -0.478) 7.702 6.808 ( 0.000 -4.451 -2.945) 5.337 8.020 ( 0.000 28.394 -4.793) 28.796 8.439 ( 0.000 17.938 0.940) 17.962 9.385 ( -0.000 7.038 3.405) 7.819 11.953 ( -0.000 -13.295 -0.200) 13.296 12.751 ( 0.000 1.511 -6.473) 6.647 ======================= Grid point 982 (342/489) ======================= q-point: ( 0.41 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( -1.618 9.923 8.650) 13.263 1.797 ( 5.897 14.394 8.353) 17.656 2.886 ( 1.621 22.166 -6.679) 23.207 3.078 ( 9.909 6.668 0.115) 11.944 4.249 ( 2.940 24.519 4.412) 25.086 5.238 ( -0.823 -6.482 1.097) 6.626 6.954 ( 21.891 -4.358 -3.649) 22.617 8.042 ( -21.551 28.936 -3.956) 36.296 8.655 ( 1.961 11.543 0.913) 11.744 9.655 ( 20.421 5.775 4.745) 21.746 11.790 ( -4.262 -11.004 0.464) 11.809 12.695 ( -5.392 1.748 -6.772) 8.831 ======================= Grid point 983 (343/489) ======================= q-point: ( 0.47 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( 0.443 9.083 5.576) 10.667 2.099 ( 9.009 15.584 5.882) 18.937 3.104 ( 3.470 16.738 -9.180) 19.403 3.327 ( 11.278 7.372 0.187) 13.475 4.565 ( 5.270 21.166 5.688) 22.542 5.168 ( -1.124 -5.654 2.644) 6.342 7.387 ( 33.727 -3.922 -4.282) 34.223 7.939 ( -22.270 29.869 -3.062) 37.383 8.731 ( -1.096 3.734 2.371) 4.557 10.087 ( 20.753 3.541 0.497) 21.058 11.628 ( -4.914 -5.520 3.489) 8.173 12.578 ( -7.248 1.548 -6.182) 9.651 ======================= Grid point 984 (344/489) ======================= q-point: ( 0.53 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( 3.116 7.948 2.485) 8.891 2.426 ( 8.362 16.593 3.923) 18.991 3.260 ( 3.916 9.063 -9.563) 13.746 3.603 ( 9.628 10.972 0.694) 14.614 4.860 ( 6.275 14.539 4.965) 16.596 5.105 ( -1.095 -5.416 3.561) 6.574 7.861 ( -17.995 28.027 -1.246) 33.330 7.952 ( 35.244 -2.077 -5.824) 35.782 8.734 ( -1.439 0.369 2.600) 2.995 10.372 ( 10.931 0.312 -4.945) 12.002 11.568 ( -1.246 1.006 7.581) 7.748 12.453 ( -5.944 0.036 -4.736) 7.600 ======================= Grid point 985 (345/489) ======================= q-point: ( 0.59 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.072 ( 4.496 6.168 0.006) 7.633 2.717 ( 4.829 17.113 2.279) 17.927 3.374 ( 5.584 4.207 -7.914) 10.560 3.850 ( 4.566 13.461 0.607) 14.228 5.041 ( -1.635 -5.186 3.440) 6.434 5.092 ( 7.631 5.884 3.815) 10.364 7.832 ( -15.919 27.061 -1.820) 31.449 8.487 ( 30.241 -6.409 -5.736) 31.441 8.727 ( 0.670 2.647 2.172) 3.489 10.467 ( 2.260 2.948 -5.907) 6.977 11.628 ( 1.465 3.344 7.179) 8.054 12.355 ( -2.306 -3.022 -2.208) 4.396 ======================= Grid point 986 (346/489) ======================= q-point: ( 0.65 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.197 ( 4.456 4.035 -1.433) 6.180 2.931 ( 0.212 16.487 1.136) 16.528 3.493 ( 7.762 1.963 -6.407) 10.255 4.014 ( -2.027 14.886 0.304) 15.027 4.958 ( -2.814 -6.309 2.763) 7.440 5.270 ( 9.241 -1.026 3.195) 9.831 7.838 ( -13.076 25.630 -2.552) 28.886 8.597 ( 2.604 -10.491 -1.323) 10.890 9.012 ( 19.021 5.190 -3.006) 19.945 10.524 ( -0.527 10.061 -3.260) 10.589 11.680 ( -0.498 0.742 2.670) 2.815 12.309 ( 2.696 -6.430 1.162) 7.068 ======================= Grid point 987 (347/489) ======================= q-point: ( 0.71 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.289 ( 3.333 1.956 -1.884) 4.299 3.057 ( -3.722 14.639 0.756) 15.124 3.632 ( 8.681 1.420 -6.219) 10.772 4.080 ( -7.328 15.166 -0.088) 16.843 4.841 ( -3.754 -7.317 2.317) 8.544 5.404 ( 8.837 -5.769 3.193) 11.026 7.867 ( -11.983 25.257 -3.651) 28.193 8.515 ( 1.125 -10.282 -0.755) 10.371 9.309 ( 11.543 4.082 -3.513) 12.738 10.622 ( -3.213 15.844 -0.627) 16.179 11.636 ( -2.044 -5.107 -1.105) 5.611 12.324 ( 6.317 -8.163 3.245) 10.819 ======================= Grid point 988 (348/489) ======================= q-point: (-0.24 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.334 ( 1.307 0.240 -1.836) 2.266 3.098 ( -7.319 12.330 0.720) 14.356 3.766 ( 7.757 1.093 -7.046) 10.536 4.071 ( -10.462 14.532 -0.570) 17.915 4.716 ( -2.769 -7.594 3.267) 8.718 5.465 ( 4.957 -8.366 3.164) 10.226 7.891 ( -12.566 24.208 -3.747) 27.532 8.451 ( 1.898 -6.673 -0.802) 6.983 9.471 ( 6.150 1.042 -4.121) 7.476 10.675 ( -10.675 16.918 0.773) 20.020 11.532 ( -0.086 -9.593 -1.732) 9.749 12.374 ( 7.596 -8.306 3.149) 11.688 ======================= Grid point 989 (349/489) ======================= q-point: (-0.18 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( -1.696 -0.955 -1.703) 2.586 3.049 ( -11.492 9.614 0.675) 14.998 3.860 ( 4.956 0.158 -7.936) 9.358 4.009 ( -12.244 12.560 -1.244) 17.585 4.640 ( 0.418 -5.629 5.490) 7.874 5.420 ( -1.201 -9.518 3.006) 10.054 7.894 ( -12.388 22.136 -1.981) 25.444 8.443 ( 1.027 -0.140 -1.899) 2.164 9.500 ( 1.448 -6.881 -5.530) 8.946 10.595 ( -14.919 13.479 0.153) 20.106 11.450 ( 0.509 -7.955 0.834) 8.015 12.436 ( 7.802 -7.471 1.974) 10.981 ======================= Grid point 999 (350/489) ======================= q-point: ( 0.41 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( -0.000 8.420 7.310) 11.150 1.887 ( -0.000 13.384 3.756) 13.901 3.066 ( -0.000 8.547 4.590) 9.701 3.067 ( 0.000 19.765 -9.879) 22.097 4.486 ( -0.000 25.143 4.250) 25.500 5.191 ( -0.000 -5.525 2.615) 6.112 6.718 ( 0.000 -2.467 -3.246) 4.077 8.495 ( 0.000 22.423 -5.998) 23.212 8.803 ( 0.000 18.408 0.370) 18.411 9.497 ( -0.000 0.551 9.607) 9.623 11.716 ( -0.000 -9.956 0.201) 9.958 12.736 ( 0.000 1.600 -7.362) 7.534 ======================= Grid point 1000 (351/489) ======================= q-point: ( 0.47 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( -1.551 7.996 3.422) 8.835 2.099 ( 7.804 12.547 3.050) 15.087 3.210 ( 0.181 14.744 -10.464) 18.081 3.241 ( 7.768 9.699 4.604) 13.252 4.752 ( 1.110 23.162 4.266) 23.578 5.145 ( -0.896 -4.664 3.913) 6.153 6.870 ( 20.462 -1.779 -3.224) 20.790 8.556 ( -15.395 25.405 -5.339) 30.182 8.841 ( -7.782 6.275 3.085) 10.462 9.765 ( 20.877 2.036 5.887) 21.786 11.624 ( -1.250 -5.960 1.548) 6.284 12.684 ( -4.970 1.687 -6.976) 8.730 ======================= Grid point 1001 (352/489) ======================= q-point: ( 0.53 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.987 ( 0.308 7.364 1.402) 7.502 2.401 ( 11.604 12.456 2.310) 17.180 3.297 ( -0.010 9.781 -9.386) 13.556 3.520 ( 11.376 10.114 3.037) 15.522 4.983 ( 0.354 17.378 3.088) 17.654 5.095 ( -1.549 -3.576 4.617) 6.042 7.309 ( 32.595 -1.494 -3.328) 32.798 8.470 ( -21.018 24.006 -0.921) 31.920 8.793 ( -2.857 2.452 0.661) 3.823 10.128 ( 17.254 0.728 1.347) 17.321 11.587 ( 0.328 -1.338 4.201) 4.421 12.569 ( -7.652 1.437 -5.930) 9.787 ======================= Grid point 1002 (353/489) ======================= q-point: ( 0.59 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( 2.099 6.215 0.050) 6.560 2.731 ( 11.326 12.570 1.715) 17.006 3.352 ( 0.540 6.446 -7.356) 9.796 3.827 ( 11.554 10.237 1.721) 15.532 5.020 ( -1.681 -4.844 4.073) 6.548 5.144 ( -1.142 11.155 1.866) 11.368 7.867 ( 34.437 -2.380 -3.867) 34.735 8.342 ( -17.271 17.226 1.826) 24.461 8.792 ( -2.482 7.078 -1.588) 7.666 10.371 ( 10.306 2.358 -1.158) 10.636 11.630 ( 2.693 0.356 5.899) 6.494 12.424 ( -8.037 -0.010 -4.461) 9.192 ======================= Grid point 1003 (354/489) ======================= q-point: ( 0.65 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( 2.875 4.577 -0.766) 5.459 3.024 ( 7.435 12.916 1.035) 14.939 3.406 ( 2.649 3.675 -5.188) 6.887 4.108 ( 7.640 11.725 0.720) 14.014 4.947 ( -1.942 -6.231 3.464) 7.389 5.203 ( -0.540 3.591 0.728) 3.704 8.241 ( -9.281 12.615 -1.560) 15.739 8.315 ( 18.013 -6.093 -1.795) 19.100 8.886 ( 4.896 13.225 -0.722) 14.120 10.550 ( 6.200 7.788 -1.538) 10.072 11.691 ( 1.884 -1.090 4.827) 5.295 12.275 ( -5.731 -3.379 -2.388) 7.068 ======================= Grid point 1004 (355/489) ======================= q-point: ( 0.71 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.255 ( 2.678 2.794 -1.059) 4.013 3.228 ( 0.921 13.046 0.587) 13.092 3.493 ( 6.435 1.545 -4.167) 7.821 4.302 ( -0.028 13.581 0.177) 13.582 4.849 ( -3.724 -5.842 1.840) 7.169 5.226 ( 4.274 -4.745 1.346) 6.527 8.214 ( -6.954 12.845 -2.452) 14.811 8.400 ( 3.075 -7.077 -1.289) 7.823 9.188 ( 11.274 13.580 -0.766) 17.666 10.740 ( 4.713 12.576 -0.666) 13.446 11.666 ( -4.277 -3.337 1.098) 5.535 12.169 ( 0.986 -8.210 0.747) 8.303 ======================= Grid point 1005 (356/489) ======================= q-point: ( 0.76 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.310 ( 1.707 1.273 -1.095) 2.394 3.319 ( -4.217 11.313 0.829) 12.102 3.618 ( 7.797 1.267 -5.248) 9.484 4.377 ( -6.563 13.665 0.871) 15.184 4.718 ( -5.417 -5.311 0.684) 7.617 5.269 ( 7.855 -9.429 2.059) 12.444 8.212 ( -6.277 8.941 -3.768) 11.556 8.386 ( 2.038 0.182 -0.075) 2.048 9.439 ( 3.556 10.421 -1.447) 11.105 10.936 ( 0.981 15.235 1.203) 15.314 11.493 ( -8.055 -7.810 -1.884) 11.377 12.157 ( 7.291 -10.426 2.324) 12.933 ======================= Grid point 1006 (357/489) ======================= q-point: (-0.18 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.329 ( -0.064 0.343 -1.155) 1.207 3.314 ( -8.324 8.449 0.893) 11.894 3.730 ( 6.070 1.023 -7.553) 9.743 4.363 ( -11.569 13.586 1.782) 17.933 4.593 ( -1.584 -6.523 2.433) 7.139 5.298 ( 5.233 -9.620 1.655) 11.076 8.158 ( -5.360 3.569 0.225) 6.443 8.481 ( 2.566 10.500 -4.635) 11.761 9.486 ( -5.042 2.560 -2.237) 6.081 10.987 ( -14.784 12.428 1.504) 19.372 11.335 ( 3.009 -7.965 -0.230) 8.518 12.212 ( 9.421 -9.038 1.350) 13.125 ======================= Grid point 1017 (358/489) ======================= q-point: ( 0.47 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( -0.000 6.349 1.306) 6.482 2.143 ( 0.000 11.426 0.141) 11.427 3.277 ( -0.000 8.739 6.031) 10.618 3.322 ( 0.000 13.130 -9.552) 16.237 4.984 ( -0.000 22.139 3.115) 22.357 5.128 ( -0.000 -3.405 5.084) 6.119 6.674 ( 0.000 -0.150 -2.346) 2.351 8.801 ( 0.000 12.428 -5.428) 13.561 9.157 ( 0.000 17.275 -0.031) 17.275 9.538 ( -0.000 -2.870 10.512) 10.897 11.590 ( -0.000 -3.046 1.228) 3.284 12.721 ( 0.000 1.479 -6.905) 7.062 ======================= Grid point 1018 (359/489) ======================= q-point: ( 0.53 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( -0.780 6.125 -0.411) 6.188 2.331 ( 8.853 10.184 -0.072) 13.494 3.371 ( -0.699 8.601 -4.720) 9.835 3.468 ( 6.646 9.193 1.691) 11.469 5.087 ( -1.447 -2.535 3.932) 4.897 5.201 ( -1.247 18.130 3.066) 18.429 6.843 ( 19.405 0.509 -1.739) 19.489 8.870 ( -1.774 6.038 -3.154) 7.039 9.026 ( -21.426 13.742 2.383) 25.565 9.822 ( 20.319 0.773 5.248) 21.000 11.583 ( 0.221 0.361 2.227) 2.266 12.673 ( -4.633 1.464 -6.163) 7.849 ======================= Grid point 1019 (360/489) ======================= q-point: ( 0.59 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( 0.475 5.742 -0.615) 5.794 2.621 ( 13.322 9.253 0.231) 16.222 3.411 ( -1.503 7.133 -5.048) 8.867 3.712 ( 11.558 6.872 2.391) 13.657 5.030 ( -2.722 -4.049 3.983) 6.298 5.324 ( -3.980 13.977 0.667) 14.547 7.284 ( 30.720 0.359 -1.467) 30.757 8.720 ( -14.597 -0.694 5.825) 15.732 8.966 ( -6.544 16.989 -5.542) 19.031 10.165 ( 16.632 2.266 2.792) 17.016 11.613 ( 1.016 0.978 3.486) 3.760 12.560 ( -7.950 1.284 -5.083) 9.523 ======================= Grid point 1020 (361/489) ======================= q-point: ( 0.65 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( 1.357 4.734 -0.411) 4.942 2.943 ( 13.524 8.384 0.400) 15.917 3.436 ( -1.340 5.747 -3.030) 6.633 4.002 ( 14.008 6.166 1.372) 15.366 4.943 ( -3.347 -5.377 3.292) 7.138 5.340 ( -6.909 8.352 -0.963) 10.882 7.815 ( 30.209 -0.964 -1.514) 30.262 8.507 ( -11.280 -0.003 4.163) 12.024 9.024 ( -2.993 15.492 -3.345) 16.129 10.462 ( 12.716 6.642 0.923) 14.376 11.644 ( 1.594 -2.275 4.110) 4.961 12.400 ( -10.048 0.392 -3.932) 10.797 ======================= Grid point 1021 (362/489) ======================= q-point: ( 0.71 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.247 ( 1.588 3.301 -0.231) 3.671 3.232 ( 10.824 7.725 0.138) 13.299 3.463 ( -0.565 4.499 -1.177) 4.684 4.300 ( 12.191 7.158 0.339) 14.141 4.840 ( -2.448 -6.655 2.557) 7.537 5.256 ( -8.315 2.424 -1.456) 8.783 8.197 ( 15.356 -2.448 -1.147) 15.592 8.376 ( -5.428 0.893 1.595) 5.728 9.189 ( 5.866 15.734 -0.871) 16.814 10.738 ( 9.170 11.267 -0.433) 14.533 11.638 ( 1.452 -7.129 3.610) 8.122 12.205 ( -10.453 -1.812 -2.606) 10.924 ======================= Grid point 1022 (363/489) ======================= q-point: ( 0.76 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.297 ( 1.327 1.915 -0.214) 2.340 3.454 ( 3.497 9.602 0.801) 10.250 3.500 ( 3.569 1.036 -1.611) 4.050 4.504 ( 2.292 5.161 -0.028) 5.647 4.781 ( 0.510 -1.022 1.074) 1.568 5.119 ( -4.339 -5.654 -0.321) 7.134 8.283 ( -0.080 -1.324 -1.084) 1.713 8.371 ( 1.853 2.646 0.439) 3.260 9.475 ( 8.007 13.542 -0.209) 15.733 10.984 ( 6.253 11.869 -0.327) 13.419 11.563 ( -3.248 -8.004 1.069) 8.704 12.020 ( -4.645 -6.062 -0.388) 7.647 ======================= Grid point 1023 (364/489) ======================= q-point: (-0.18 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.328 ( 0.633 1.070 -0.405) 1.307 3.484 ( -3.925 3.153 1.227) 5.182 3.641 ( 5.797 5.461 -3.707) 8.785 4.504 ( -0.678 -3.002 2.121) 3.738 4.755 ( -12.592 9.702 -0.757) 15.914 5.072 ( 9.438 -10.680 0.697) 14.270 8.245 ( -3.133 0.428 0.941) 3.299 8.462 ( 5.135 4.358 -2.837) 7.309 9.637 ( -2.885 7.798 -0.586) 8.335 11.178 ( 6.301 5.272 1.585) 8.367 11.359 ( -13.980 -2.105 -1.071) 14.178 11.973 ( 7.071 -7.633 0.603) 10.422 ======================= Grid point 1035 (365/489) ======================= q-point: ( 0.53 0.53 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( 0.000 5.163 -1.394) 5.348 2.340 ( 0.000 9.064 -1.176) 9.140 3.459 ( -0.000 6.121 3.453) 7.028 3.484 ( 0.000 8.583 -4.766) 9.817 5.084 ( -0.000 -3.273 4.132) 5.271 5.400 ( -0.000 17.137 1.530) 17.205 6.680 ( 0.000 1.577 -0.561) 1.674 8.931 ( 0.000 4.268 -3.119) 5.287 9.470 ( 0.000 14.377 -0.008) 14.377 9.524 ( -0.000 -4.602 8.915) 10.033 11.606 ( -0.000 3.051 1.852) 3.569 12.707 ( 0.000 1.284 -5.779) 5.920 ======================= Grid point 1036 (366/489) ======================= q-point: ( 0.59 0.53 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( -0.110 5.124 -0.909) 5.205 2.501 ( 9.142 7.562 -0.943) 11.902 3.501 ( -1.722 6.663 -1.331) 7.010 3.611 ( 6.801 4.612 0.661) 8.244 5.046 ( -1.894 -3.772 3.447) 5.449 5.527 ( -3.233 13.360 -0.206) 13.747 6.862 ( 18.593 1.762 0.246) 18.678 8.892 ( -7.225 -1.225 0.934) 7.387 9.271 ( -13.086 8.823 0.979) 15.813 9.888 ( 19.331 3.182 3.861) 19.968 11.643 ( -0.628 3.518 2.210) 4.202 12.664 ( -4.379 1.307 -5.016) 6.786 ======================= Grid point 1037 (367/489) ======================= q-point: ( 0.65 0.53 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( 0.358 4.583 0.087) 4.598 2.770 ( 14.036 5.979 -0.423) 15.262 3.526 ( -2.489 6.405 0.054) 6.872 3.811 ( 12.565 2.291 0.455) 12.781 4.967 ( -3.661 -4.602 2.338) 6.328 5.547 ( -6.920 8.914 -1.721) 11.415 7.300 ( 29.051 1.364 0.719) 29.092 8.693 ( -11.859 -3.824 3.488) 12.939 9.224 ( -5.463 10.882 -1.102) 12.226 10.252 ( 18.283 4.261 2.428) 18.929 11.652 ( -2.055 0.678 2.606) 3.387 12.556 ( -8.075 1.346 -4.146) 9.176 ======================= Grid point 1038 (368/489) ======================= q-point: ( 0.71 0.53 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.263 ( 0.551 3.347 0.670) 3.457 3.067 ( 14.444 4.220 -0.280) 15.051 3.547 ( -2.507 6.000 2.090) 6.830 4.082 ( 16.651 1.629 0.046) 16.731 4.849 ( -4.712 -5.627 1.169) 7.432 5.460 ( -10.254 4.877 -2.355) 11.597 7.815 ( 27.558 0.909 1.446) 27.611 8.486 ( -8.707 -3.046 2.151) 9.472 9.273 ( -0.458 10.326 0.163) 10.338 10.611 ( 16.822 6.821 0.433) 18.158 11.595 ( -3.419 -4.672 2.796) 6.429 12.391 ( -11.241 1.116 -3.301) 11.768 ======================= Grid point 1039 (369/489) ======================= q-point: ( 0.76 0.53 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.301 ( 0.598 1.966 0.718) 2.177 3.327 ( 12.192 2.205 -0.733) 12.412 3.575 ( -2.102 5.946 3.669) 7.296 4.386 ( 15.838 1.808 -0.975) 15.971 4.717 ( -2.895 -6.839 0.727) 7.462 5.289 ( -12.673 2.019 -1.957) 12.982 8.184 ( 12.045 -0.328 1.977) 12.211 8.381 ( -1.148 0.763 0.949) 1.674 9.428 ( 7.859 7.725 0.849) 11.053 10.949 ( 13.069 9.414 -1.528) 16.179 11.470 ( -2.583 -11.040 2.754) 11.668 12.179 ( -13.343 0.878 -2.275) 13.564 ======================= Grid point 1053 (370/489) ======================= q-point: ( 0.59 0.59 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.212 ( 0.000 4.724 -0.159) 4.726 2.484 ( 0.000 6.258 -1.042) 6.344 3.549 ( 0.000 2.157 -1.043) 2.396 3.616 ( -0.000 6.424 1.032) 6.506 5.035 ( -0.000 -3.999 2.468) 4.699 5.673 ( 0.000 10.309 -1.345) 10.396 6.720 ( -0.000 2.010 1.307) 2.397 8.955 ( 0.000 -0.197 -0.258) 0.325 9.491 ( -0.000 -3.241 7.028) 7.739 9.711 ( 0.000 9.681 0.367) 9.688 11.699 ( -0.000 4.203 1.937) 4.628 12.698 ( 0.000 1.277 -4.584) 4.759 ======================= Grid point 1054 (371/489) ======================= q-point: ( 0.65 0.59 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.257 ( -0.059 4.170 1.066) 4.305 2.615 ( 9.015 4.486 -0.619) 10.089 3.600 ( 3.639 2.551 -1.561) 4.710 3.682 ( 1.557 3.728 2.681) 4.848 4.980 ( -2.245 -4.461 1.106) 5.115 5.713 ( -4.082 6.364 -2.581) 7.989 6.905 ( 18.156 1.673 1.910) 18.333 8.856 ( -9.675 -3.237 1.887) 10.376 9.407 ( -6.198 4.767 3.412) 8.531 9.979 ( 17.157 3.329 2.009) 17.592 11.719 ( -2.420 2.157 1.933) 3.775 12.662 ( -4.190 1.473 -3.989) 5.970 ======================= Grid point 1055 (372/489) ======================= q-point: ( 0.71 0.59 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.295 ( -0.174 2.818 1.698) 3.294 2.849 ( 13.891 2.293 -0.395) 14.085 3.666 ( -2.035 6.260 4.103) 7.757 3.816 ( 13.039 -1.174 -0.496) 13.102 4.879 ( -4.272 -4.877 -0.497) 6.503 5.647 ( -7.692 2.679 -3.160) 8.736 7.339 ( 28.627 1.403 2.412) 28.763 8.632 ( -11.495 -3.903 1.879) 12.284 9.401 ( -3.552 7.162 3.319) 8.656 10.327 ( 20.075 1.323 0.956) 20.141 11.662 ( -5.606 -1.384 1.808) 6.051 12.561 ( -8.063 1.679 -3.378) 8.901 ======================= Grid point 1056 (373/489) ======================= q-point: (-0.24 -0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.317 ( -0.100 1.203 1.622) 2.022 3.104 ( 14.440 -0.165 -0.580) 14.453 3.698 ( -3.230 6.236 6.793) 9.771 4.074 ( 18.414 -1.918 -0.859) 18.534 4.741 ( -5.551 -4.938 -2.001) 7.694 5.494 ( -10.285 0.068 -2.829) 10.668 7.858 ( 27.073 1.465 3.173) 27.298 8.443 ( -6.578 -1.804 0.957) 6.888 9.434 ( -0.963 4.939 3.558) 6.162 10.682 ( 20.662 -0.511 -0.650) 20.678 11.517 ( -8.389 -4.124 1.419) 9.455 12.402 ( -11.380 1.981 -2.650) 11.851 ======================= Grid point 1071 (374/489) ======================= q-point: ( 0.65 0.65 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.301 ( -0.000 3.369 2.184) 4.015 2.570 ( 0.000 2.854 -0.315) 2.871 3.531 ( 0.000 -1.810 -5.219) 5.524 3.761 ( -0.000 5.998 6.721) 9.008 4.956 ( 0.000 -4.651 -0.411) 4.669 5.783 ( 0.000 2.445 -3.588) 4.342 6.767 ( -0.000 1.226 2.563) 2.841 8.927 ( -0.000 -3.058 1.581) 3.443 9.516 ( -0.000 1.920 6.401) 6.682 9.846 ( -0.000 3.508 0.791) 3.596 11.764 ( -0.000 0.615 1.645) 1.756 12.701 ( 0.000 1.697 -3.665) 4.038 ======================= Grid point 1072 (375/489) ======================= q-point: (-0.29 -0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.331 ( -0.503 1.705 2.618) 3.165 2.665 ( 8.626 0.627 -0.082) 8.649 3.561 ( 8.530 -2.896 -5.715) 10.668 3.825 ( -2.277 5.875 9.428) 11.340 4.885 ( -2.368 -4.787 -2.244) 5.793 5.741 ( -3.842 -1.383 -4.142) 5.816 6.945 ( 18.181 0.707 2.803) 18.409 8.795 ( -10.428 -3.916 1.486) 11.238 9.542 ( -2.964 6.242 6.561) 9.529 10.014 ( 15.339 -1.109 0.908) 15.406 11.732 ( -3.442 -2.319 1.262) 4.338 12.672 ( -4.134 1.969 -3.309) 5.649 ======================= Grid point 1073 (376/489) ======================= q-point: (-0.24 -0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.334 ( -0.635 -0.399 2.309) 2.427 2.849 ( 13.278 -2.223 -0.405) 13.469 3.723 ( 14.526 -2.263 -4.180) 15.284 3.868 ( -2.245 4.654 11.473) 12.583 4.772 ( -4.245 -4.340 -4.152) 7.355 5.608 ( -6.626 -4.375 -3.928) 8.859 7.379 ( 29.306 0.696 2.980) 29.465 8.572 ( -10.628 -2.840 0.797) 11.030 9.560 ( -4.935 5.221 7.022) 10.046 10.301 ( 20.136 -3.821 0.072) 20.496 11.614 ( -6.478 -4.411 0.535) 7.856 12.579 ( -7.954 2.180 -2.872) 8.733 ======================= Grid point 1089 (377/489) ======================= q-point: (-0.29 -0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.355 ( -0.000 -0.057 2.988) 2.988 2.585 ( -0.000 -1.612 0.092) 1.615 3.423 ( 0.000 -4.594 -7.350) 8.667 3.939 ( -0.000 5.782 11.887) 13.218 4.848 ( 0.000 -4.800 -4.224) 6.394 5.724 ( 0.000 -5.609 -4.753) 7.352 6.797 ( -0.000 0.004 3.003) 3.003 8.862 ( -0.000 -4.010 0.883) 4.106 9.658 ( -0.000 7.490 8.793) 11.550 9.853 ( -0.000 -3.425 0.933) 3.550 11.728 ( -0.000 -5.134 0.660) 5.176 12.718 ( 0.000 2.267 -3.230) 3.947 ======================= Grid point 1090 (378/489) ======================= q-point: (-0.24 -0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.342 ( -0.924 -2.560 2.540) 3.723 2.628 ( 8.130 -4.630 -0.379) 9.363 3.444 ( 10.350 -4.596 -6.024) 12.827 4.010 ( -2.572 4.704 13.680) 14.693 4.768 ( -2.062 -4.055 -6.225) 7.710 5.608 ( -2.995 -9.091 -4.649) 10.640 6.967 ( 18.529 -0.294 2.865) 18.751 8.729 ( -9.804 -3.040 0.184) 10.266 9.716 ( -4.364 3.400 8.936) 10.509 9.963 ( 14.796 -2.324 1.889) 15.096 11.638 ( -3.092 -7.380 -0.305) 8.007 12.695 ( -4.152 2.394 -3.129) 5.724 ======================= Grid point 1107 (379/489) ======================= q-point: (-0.24 -0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( -0.000 -5.183 2.132) 5.604 2.493 ( 0.000 -7.809 -1.095) 7.885 3.281 ( 0.000 -4.845 -5.872) 7.613 4.114 ( -0.000 1.965 14.625) 14.757 4.728 ( 0.000 -2.505 -7.782) 8.175 5.509 ( 0.000 -12.987 -4.537) 13.757 6.806 ( -0.000 -0.838 2.694) 2.821 8.794 ( 0.000 -2.683 -0.931) 2.840 9.724 ( -0.000 -10.126 0.633) 10.146 9.903 ( -0.000 9.415 13.371) 16.353 11.576 ( 0.000 -9.567 -1.578) 9.696 12.745 ( 0.000 2.500 -3.445) 4.257 ======================= Grid point 1234 (380/489) ======================= q-point: ( 0.24 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( -0.000 0.000 18.580) 18.580 0.788 ( -0.000 0.000 18.580) 18.580 1.544 ( -0.000 0.000 35.139) 35.139 2.982 ( 0.000 -0.000 -7.724) 7.724 2.982 ( 0.000 -0.000 -7.724) 7.724 6.069 ( 0.000 -0.000 -10.609) 10.609 7.037 ( -0.000 0.000 0.464) 0.464 7.037 ( -0.000 0.000 0.464) 0.464 7.718 ( -0.000 0.000 0.014) 0.014 7.718 ( -0.000 0.000 0.014) 0.014 12.525 ( -0.000 0.000 2.364) 2.364 12.791 ( -0.000 0.000 1.134) 1.134 ======================= Grid point 1235 (381/489) ======================= q-point: ( 0.29 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( 5.215 3.011 16.258) 17.337 1.053 ( 10.864 6.272 19.399) 23.102 1.729 ( 8.528 4.923 23.822) 25.777 3.011 ( 8.978 5.183 -5.493) 11.732 3.059 ( 4.751 2.743 -6.680) 8.644 5.741 ( -14.376 -8.300 -3.046) 16.878 6.935 ( -6.055 -3.496 -0.248) 6.996 7.269 ( 17.283 9.978 -1.920) 20.048 7.818 ( 8.195 4.732 0.532) 9.478 8.486 ( 46.913 27.085 -16.386) 56.594 12.418 ( -10.165 -5.869 1.986) 11.905 12.731 ( -4.616 -2.665 1.129) 5.449 ======================= Grid point 1236 (382/489) ======================= q-point: ( 0.35 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( 10.062 5.809 12.725) 17.232 1.285 ( 4.230 2.442 22.691) 23.211 2.103 ( 19.571 11.299 3.449) 22.860 3.150 ( 4.798 2.770 -4.757) 7.303 3.343 ( 19.866 11.470 1.196) 22.970 5.501 ( -7.129 -4.116 -2.668) 8.653 6.796 ( -5.455 -3.150 -1.246) 6.421 7.705 ( 20.365 11.758 -4.452) 23.933 8.063 ( 12.676 7.319 1.243) 14.690 9.379 ( 35.355 20.412 -11.663) 42.458 12.108 ( -16.442 -9.493 0.822) 19.003 12.624 ( -4.769 -2.753 -0.214) 5.510 ======================= Grid point 1237 (383/489) ======================= q-point: ( 0.41 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( 12.265 7.081 9.581) 17.099 1.452 ( 5.647 3.260 16.845) 18.063 2.573 ( 21.057 12.157 -5.082) 24.840 3.242 ( 4.194 2.422 -2.300) 5.361 3.863 ( 23.842 13.765 5.277) 28.031 5.366 ( -4.540 -2.621 -1.499) 5.452 6.695 ( -2.860 -1.651 -1.950) 3.835 8.114 ( 16.517 9.536 -5.227) 19.775 8.388 ( 15.315 8.842 1.517) 17.749 10.037 ( 25.212 14.556 -5.203) 29.573 11.721 ( -17.019 -9.826 0.978) 19.676 12.522 ( -3.633 -2.098 -1.753) 4.547 ======================= Grid point 1238 (384/489) ======================= q-point: ( 0.47 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( 8.466 4.888 9.260) 13.465 1.711 ( 12.596 7.272 6.903) 16.099 3.001 ( 18.179 10.496 -7.605) 22.327 3.323 ( 3.164 1.827 0.284) 3.664 4.415 ( 22.496 12.988 5.979) 26.655 5.277 ( -3.234 -1.867 0.514) 3.769 6.657 ( 0.076 0.044 -2.321) 2.323 8.415 ( 11.316 6.533 -2.912) 13.387 8.757 ( 16.517 9.536 1.289) 19.116 10.462 ( 12.922 7.461 -12.027) 19.165 11.395 ( -10.976 -6.337 7.885) 14.927 12.459 ( -1.280 -0.739 -1.838) 2.358 ======================= Grid point 1239 (385/489) ======================= q-point: ( 0.53 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( 9.352 5.399 3.186) 11.259 2.006 ( 11.582 6.687 4.572) 14.133 3.343 ( 14.184 8.189 -8.445) 18.427 3.385 ( 1.879 1.085 2.659) 3.432 4.896 ( 17.614 10.170 5.221) 20.998 5.221 ( -1.925 -1.111 2.372) 3.251 6.677 ( 2.244 1.296 -2.498) 3.599 8.622 ( 7.577 4.375 0.626) 8.772 9.132 ( 15.970 9.221 0.705) 18.455 10.465 ( -6.775 -3.912 -21.630) 23.002 11.367 ( 4.695 2.710 13.024) 14.107 12.454 ( 0.975 0.563 0.029) 1.126 ======================= Grid point 1240 (386/489) ======================= q-point: ( 0.59 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( 8.432 4.868 -0.781) 9.768 2.259 ( 9.567 5.523 2.610) 11.351 3.423 ( 0.397 0.229 4.651) 4.674 3.596 ( 10.821 6.248 -9.036) 15.420 5.110 ( -1.510 -0.872 2.831) 3.325 5.326 ( 11.414 6.590 4.980) 14.089 6.732 ( 3.048 1.760 -2.649) 4.405 8.777 ( 5.836 3.369 2.810) 7.301 9.470 ( 13.417 7.746 -0.007) 15.492 10.156 ( -12.563 -7.253 -18.509) 23.516 11.565 ( 8.256 4.766 5.531) 11.021 12.494 ( 1.998 1.153 2.610) 3.483 ======================= Grid point 1241 (387/489) ======================= q-point: ( 0.65 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.253 ( 6.321 3.649 -2.688) 7.778 2.451 ( 6.740 3.891 1.089) 7.858 3.431 ( -1.238 -0.715 6.195) 6.358 3.787 ( 8.869 5.121 -9.976) 14.297 5.036 ( -4.886 -2.821 2.866) 6.328 5.571 ( 7.762 4.481 5.007) 10.266 6.789 ( 2.528 1.460 -2.837) 4.071 8.904 ( 4.261 2.460 2.219) 5.398 9.727 ( 8.975 5.181 -0.624) 10.382 9.836 ( -9.910 -5.722 -13.927) 18.026 11.736 ( 5.527 3.191 -0.037) 6.382 12.554 ( 2.143 1.237 4.331) 4.988 ======================= Grid point 1242 (388/489) ======================= q-point: ( 0.71 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.355 ( 3.420 1.975 -3.105) 5.024 2.566 ( 3.085 1.781 0.117) 3.565 3.406 ( -2.808 -1.621 7.159) 7.860 3.941 ( 7.774 4.488 -11.524) 14.607 4.920 ( -5.980 -3.453 3.609) 7.792 5.696 ( 1.723 0.995 4.993) 5.375 6.823 ( 1.238 0.714 -2.979) 3.304 8.951 ( -0.940 -0.543 -0.924) 1.426 9.672 ( -0.430 -0.248 -9.037) 9.051 9.864 ( 3.200 1.847 -0.980) 3.822 11.801 ( 0.339 0.196 -2.112) 2.148 12.618 ( 2.202 1.271 4.677) 5.324 ======================= Grid point 1243 (389/489) ======================= q-point: (-0.24 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.383 ( -0.216 -0.125 -2.815) 2.826 2.585 ( -1.526 -0.881 -0.005) 1.762 3.353 ( -3.870 -2.234 7.184) 8.461 4.062 ( 6.207 3.584 -13.538) 15.318 4.801 ( -5.537 -3.197 5.644) 8.528 5.677 ( -4.833 -2.790 4.840) 7.387 6.826 ( -0.058 -0.034 -2.945) 2.946 8.874 ( -4.221 -2.437 -1.586) 5.126 9.743 ( 7.761 4.481 -8.593) 12.416 9.862 ( -3.038 -1.754 -0.985) 3.644 11.738 ( -5.215 -3.011 -1.370) 6.175 12.682 ( 2.234 1.290 4.154) 4.890 ======================= Grid point 1252 (390/489) ======================= q-point: ( 0.29 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( -0.000 9.477 16.031) 18.623 1.059 ( -0.000 14.796 16.010) 21.800 1.819 ( -0.000 8.197 24.975) 26.285 2.862 ( 0.000 -2.124 -7.337) 7.638 3.143 ( 0.000 15.720 -5.729) 16.732 5.741 ( 0.000 -16.002 -4.075) 16.513 7.016 ( 0.000 -4.099 -0.590) 4.141 7.108 ( 0.000 11.618 -0.372) 11.624 7.833 ( 0.000 10.761 0.532) 10.774 8.416 ( 0.000 47.197 -13.040) 48.965 12.440 ( -0.000 -9.451 1.922) 9.645 12.763 ( -0.000 -2.005 -0.046) 2.005 ======================= Grid point 1253 (391/489) ======================= q-point: ( 0.35 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( 0.873 13.346 12.668) 18.421 1.332 ( 4.959 8.142 20.283) 22.412 2.030 ( 6.192 15.224 8.427) 18.470 2.951 ( 12.238 -0.410 -4.461) 13.032 3.333 ( 4.312 20.102 -1.867) 20.644 5.537 ( -5.115 -8.937 -3.093) 10.752 7.048 ( -13.093 13.603 -1.223) 18.920 7.238 ( 22.565 -5.185 -2.553) 23.294 8.066 ( 8.246 16.123 0.686) 18.123 9.033 ( 25.909 30.464 -10.867) 41.442 12.252 ( -10.051 -11.048 0.940) 14.965 12.692 ( -5.147 -1.572 -0.939) 5.463 ======================= Grid point 1254 (392/489) ======================= q-point: ( 0.41 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( 5.266 13.035 9.465) 16.948 1.507 ( 1.606 6.610 19.957) 21.084 2.388 ( 14.712 17.430 -4.247) 23.201 3.146 ( 9.681 2.040 -3.858) 10.619 3.703 ( 14.733 20.323 4.405) 25.485 5.389 ( -3.416 -5.251 -2.144) 6.621 6.928 ( -15.790 16.254 -1.438) 22.706 7.645 ( 31.308 -7.177 -4.371) 32.416 8.361 ( 7.127 15.577 0.632) 17.142 9.713 ( 27.656 17.456 -5.322) 33.134 11.926 ( -15.625 -9.112 0.726) 18.103 12.577 ( -5.475 -1.522 -1.824) 5.968 ======================= Grid point 1255 (393/489) ======================= q-point: ( 0.47 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( 5.869 6.612 9.520) 12.992 1.717 ( 5.141 14.793 10.690) 18.961 2.797 ( 16.301 14.175 -7.239) 22.782 3.292 ( 5.132 4.693 -2.388) 7.353 4.208 ( 19.658 16.586 6.341) 26.490 5.294 ( -2.201 -3.930 -0.468) 4.529 6.844 ( -12.467 17.009 -1.783) 21.164 8.095 ( 28.311 -3.111 -4.477) 28.831 8.615 ( 8.562 8.731 1.759) 12.355 10.237 ( 19.209 9.483 -7.432) 22.675 11.593 ( -14.735 -4.703 4.312) 16.057 12.480 ( -3.252 -1.222 -2.009) 4.013 ======================= Grid point 1256 (394/489) ======================= q-point: ( 0.53 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( 7.276 5.849 5.521) 10.846 1.995 ( 5.832 15.999 5.849) 18.006 3.152 ( 14.290 9.226 -7.800) 18.712 3.406 ( 2.192 6.870 0.136) 7.212 4.701 ( 18.851 11.876 5.708) 22.999 5.230 ( -1.249 -3.437 1.114) 3.822 6.826 ( -9.118 17.620 -2.060) 19.946 8.482 ( 17.086 3.098 -2.048) 17.485 8.862 ( 16.121 -0.497 1.610) 16.208 10.444 ( 1.992 2.097 -17.081) 17.324 11.431 ( -4.356 2.374 10.929) 12.002 12.438 ( 0.160 -0.987 -0.444) 1.095 ======================= Grid point 1257 (395/489) ======================= q-point: ( 0.59 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.001 ( 7.668 5.380 1.203) 9.444 2.253 ( 4.646 14.884 3.325) 15.943 3.400 ( 9.323 3.678 -5.520) 11.442 3.514 ( 1.751 9.459 0.078) 9.620 5.077 ( 9.271 4.005 3.750) 10.773 5.212 ( 5.221 -0.424 2.972) 6.023 6.858 ( -7.000 17.762 -2.343) 19.235 8.712 ( 6.875 3.638 2.465) 8.159 9.165 ( 21.518 -5.229 -2.113) 22.244 10.300 ( -11.109 1.809 -17.056) 20.435 11.521 ( 4.411 5.125 7.420) 10.039 12.458 ( 2.834 -1.301 2.251) 3.846 ======================= Grid point 1258 (396/489) ======================= q-point: ( 0.65 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.171 ( 6.696 4.191 -1.558) 8.052 2.461 ( 2.657 12.907 1.676) 13.284 3.505 ( -0.206 4.901 2.375) 5.450 3.659 ( 6.706 5.987 -6.453) 11.066 5.074 ( -2.792 -4.078 1.855) 5.279 5.451 ( 11.982 2.792 4.592) 13.132 6.911 ( -6.447 17.364 -2.662) 18.713 8.832 ( 4.889 -0.958 3.178) 5.909 9.421 ( 16.462 -8.321 -6.027) 19.405 10.092 ( -12.719 9.926 -10.039) 19.003 11.667 ( 5.521 2.997 1.335) 6.423 12.512 ( 3.881 -1.857 4.244) 6.043 ======================= Grid point 1259 (397/489) ======================= q-point: ( 0.71 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.295 ( 4.720 2.426 -2.708) 5.958 2.603 ( -0.021 10.473 0.617) 10.491 3.528 ( -4.920 6.379 5.358) 9.674 3.803 ( 7.936 3.054 -9.386) 12.665 4.973 ( -4.144 -5.145 2.138) 6.944 5.641 ( 6.889 -0.505 4.650) 8.327 6.955 ( -7.152 16.681 -2.927) 18.384 8.870 ( 3.524 -7.664 0.228) 8.438 9.523 ( 8.452 -5.874 -7.861) 12.951 10.028 ( -8.215 15.253 -2.990) 17.581 11.756 ( 3.309 -0.810 -1.683) 3.800 12.575 ( 4.051 -2.176 4.712) 6.584 ======================= Grid point 1260 (398/489) ======================= q-point: (-0.24 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.357 ( 1.897 0.273 -2.858) 3.441 2.664 ( -3.591 7.724 0.101) 8.518 3.502 ( -7.621 6.617 6.301) 11.898 3.927 ( 7.601 1.726 -11.639) 14.008 4.857 ( -4.166 -5.173 3.646) 7.576 5.698 ( 0.484 -3.899 4.691) 6.119 6.973 ( -8.428 16.084 -3.009) 18.406 8.810 ( 1.588 -11.220 -1.709) 11.460 9.610 ( 8.009 0.557 -7.399) 10.918 10.023 ( -8.885 12.353 -0.928) 15.244 11.746 ( -0.775 -4.441 -1.768) 4.842 12.636 ( 4.101 -2.294 4.094) 6.232 ======================= Grid point 1270 (399/489) ======================= q-point: ( 0.35 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( -0.000 12.397 11.356) 16.812 1.438 ( -0.000 11.624 16.661) 20.315 2.192 ( -0.000 19.238 6.029) 20.160 2.827 ( 0.000 2.429 -3.258) 4.064 3.504 ( 0.000 22.771 -1.427) 22.816 5.474 ( 0.000 -9.577 -2.800) 9.978 6.902 ( 0.000 -5.810 -2.308) 6.251 7.474 ( 0.000 24.534 -1.454) 24.577 8.107 ( 0.000 15.835 0.776) 15.854 9.077 ( 0.000 26.318 -5.066) 26.801 12.215 ( -0.000 -13.246 0.077) 13.246 12.723 ( 0.000 -0.862 -3.394) 3.502 ======================= Grid point 1271 (400/489) ======================= q-point: ( 0.41 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( 1.067 13.491 7.910) 15.675 1.612 ( 2.015 8.053 17.338) 19.223 2.419 ( 3.335 22.000 -3.769) 22.568 2.969 ( 11.039 4.145 -1.474) 11.883 3.777 ( 5.006 24.300 2.211) 24.908 5.366 ( -1.687 -6.818 -1.714) 7.230 7.049 ( 23.035 -6.353 -3.672) 24.176 7.486 ( -21.031 25.445 -1.424) 33.042 8.386 ( 8.306 15.447 0.319) 17.542 9.462 ( 19.218 16.829 0.234) 25.546 12.020 ( -7.182 -12.192 -0.474) 14.158 12.656 ( -5.140 -0.237 -4.412) 6.778 ======================= Grid point 1272 (401/489) ======================= q-point: ( 0.47 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( 1.360 8.674 8.069) 11.924 1.822 ( 4.972 14.026 11.322) 18.698 2.716 ( 8.907 19.218 -7.404) 22.438 3.198 ( 10.259 5.380 -2.380) 11.826 4.157 ( 10.623 21.998 5.452) 25.030 5.278 ( -1.485 -5.115 -0.211) 5.330 7.355 ( -18.805 26.068 -2.005) 32.206 7.479 ( 30.726 -5.497 -4.000) 31.469 8.612 ( 3.930 9.353 1.226) 10.219 9.966 ( 21.709 9.901 -0.240) 23.862 11.766 ( -10.159 -7.574 1.315) 12.740 12.541 ( -5.873 -0.065 -4.282) 7.268 ======================= Grid point 1273 (402/489) ======================= q-point: ( 0.53 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( 3.631 7.030 5.856) 9.844 2.100 ( 5.361 17.515 6.444) 19.417 3.017 ( 10.232 12.597 -7.894) 18.047 3.406 ( 7.103 8.509 -1.507) 11.186 4.574 ( 13.322 16.215 5.725) 21.753 5.211 ( -1.022 -4.518 1.073) 4.755 7.285 ( -18.117 27.512 -1.524) 32.976 7.997 ( 34.468 -3.512 -4.625) 34.954 8.730 ( 3.094 2.118 2.616) 4.572 10.318 ( 11.474 4.014 -7.103) 14.079 11.582 ( -7.017 -0.440 6.103) 9.310 12.445 ( -3.224 -0.738 -2.825) 4.349 ======================= Grid point 1274 (403/489) ======================= q-point: ( 0.59 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.951 ( 5.386 6.161 2.429) 8.536 2.372 ( 3.535 18.352 3.578) 19.029 3.251 ( 9.578 5.944 -7.010) 13.274 3.596 ( 3.244 11.989 -0.071) 12.420 4.945 ( 12.980 9.278 4.625) 16.612 5.159 ( -0.178 -4.544 1.694) 4.853 7.271 ( -14.938 27.403 -1.701) 31.256 8.514 ( 27.751 1.172 -3.462) 27.990 8.790 ( 6.075 -5.968 1.803) 8.705 10.391 ( -1.513 2.667 -11.308) 11.716 11.567 ( -0.685 4.566 7.185) 8.541 12.405 ( 0.831 -2.376 0.110) 2.520 ======================= Grid point 1275 (404/489) ======================= q-point: ( 0.65 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( 5.731 4.835 -0.288) 7.504 2.596 ( 0.938 17.539 1.819) 17.658 3.428 ( 8.827 2.748 -5.476) 10.745 3.738 ( -1.247 12.934 0.391) 13.000 5.072 ( -1.560 -4.286 1.350) 4.756 5.271 ( 12.756 2.163 4.024) 13.549 7.296 ( -12.931 26.779 -2.130) 29.814 8.762 ( 1.918 -3.062 3.000) 4.696 8.984 ( 24.266 -5.618 -6.183) 25.663 10.327 ( -6.675 8.368 -8.124) 13.438 11.642 ( 1.678 3.637 2.616) 4.783 12.422 ( 4.045 -4.223 3.079) 6.609 ======================= Grid point 1276 (405/489) ======================= q-point: ( 0.71 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.232 ( 4.834 3.105 -1.774) 6.013 2.757 ( -1.786 15.624 0.914) 15.752 3.577 ( 7.498 2.501 -4.235) 8.967 3.809 ( -4.442 11.765 -0.276) 12.579 4.981 ( -3.018 -6.125 1.062) 6.910 5.490 ( 10.632 -1.688 3.928) 11.459 7.335 ( -12.346 26.099 -2.669) 28.994 8.729 ( 2.187 -10.389 -0.078) 10.617 9.266 ( 14.629 -1.385 -5.245) 15.602 10.310 ( -6.828 15.126 -3.488) 16.958 11.690 ( 1.892 -0.856 -1.061) 2.332 12.470 ( 5.458 -5.323 4.345) 8.775 ======================= Grid point 1277 (406/489) ======================= q-point: ( 0.76 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.314 ( 2.895 1.177 -2.277) 3.867 2.845 ( -4.823 13.153 0.506) 14.018 3.696 ( 2.280 5.421 -1.176) 5.997 3.830 ( -2.836 7.797 -4.241) 9.318 4.868 ( -3.073 -6.697 1.922) 7.615 5.612 ( 5.888 -5.133 3.921) 8.740 7.366 ( -12.955 25.716 -3.030) 28.953 8.648 ( 2.199 -12.179 -1.496) 12.466 9.442 ( 9.334 0.238 -5.076) 10.628 10.336 ( -9.278 17.217 -0.907) 19.578 11.680 ( 1.255 -5.661 -1.960) 6.121 12.525 ( 5.790 -5.724 3.970) 9.058 ======================= Grid point 1288 (407/489) ======================= q-point: ( 0.41 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( -0.000 12.911 5.544) 14.051 1.719 ( -0.000 7.455 13.015) 14.999 2.612 ( 0.000 22.663 -6.829) 23.670 2.921 ( -0.000 7.106 2.581) 7.560 3.993 ( -0.000 25.934 2.241) 26.030 5.310 ( -0.000 -6.294 -0.485) 6.312 6.778 ( 0.000 -4.657 -3.286) 5.699 7.982 ( 0.000 26.945 -2.978) 27.109 8.445 ( 0.000 17.864 0.378) 17.868 9.435 ( -0.000 10.660 6.823) 12.656 11.945 ( 0.000 -13.135 -1.354) 13.204 12.687 ( 0.000 0.512 -6.533) 6.554 ======================= Grid point 1289 (408/489) ======================= q-point: ( 0.47 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( -1.095 9.338 4.875) 10.591 1.877 ( 5.771 10.479 8.227) 14.519 2.812 ( 1.677 21.162 -8.361) 22.816 3.089 ( 8.212 7.634 2.290) 11.444 4.289 ( 3.720 25.090 3.678) 25.630 5.248 ( -0.791 -5.001 0.971) 5.155 6.918 ( 21.477 -4.251 -3.733) 22.210 8.012 ( -20.624 27.875 -2.348) 34.755 8.662 ( 2.493 12.161 0.420) 12.421 9.716 ( 17.744 6.774 7.821) 20.540 11.789 ( -3.446 -10.295 -0.728) 10.881 12.629 ( -4.863 1.171 -6.860) 8.490 ======================= Grid point 1290 (409/489) ======================= q-point: ( 0.53 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( 0.355 7.308 3.990) 8.334 2.151 ( 9.063 13.672 4.826) 17.098 3.017 ( 3.505 15.756 -8.434) 18.212 3.334 ( 10.152 9.060 1.205) 13.660 4.613 ( 5.756 20.726 4.054) 21.889 5.190 ( -1.177 -4.379 2.021) 4.964 7.346 ( 33.323 -3.597 -4.047) 33.760 7.918 ( -21.872 29.465 -1.279) 36.717 8.751 ( -0.671 4.043 1.700) 4.437 10.101 ( 16.931 3.457 2.420) 17.449 11.656 ( -2.941 -4.551 2.329) 5.898 12.520 ( -6.343 1.162 -5.782) 8.661 ======================= Grid point 1291 (410/489) ======================= q-point: ( 0.59 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.954 ( 2.628 6.509 2.054) 7.314 2.459 ( 8.170 15.547 2.984) 17.814 3.179 ( 4.412 8.943 -6.945) 12.152 3.608 ( 9.025 11.820 0.488) 14.880 4.900 ( 6.474 13.653 3.327) 15.472 5.133 ( -1.298 -4.512 2.236) 5.200 7.848 ( -18.183 28.295 -1.280) 33.658 7.907 ( 34.780 -1.871 -3.442) 35.000 8.756 ( -1.066 -0.319 1.831) 2.142 10.333 ( 7.683 1.690 -3.209) 8.496 11.630 ( 0.104 1.152 5.177) 5.304 12.413 ( -4.511 -0.474 -3.467) 5.709 ======================= Grid point 1292 (411/489) ======================= q-point: ( 0.65 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( 3.899 5.362 0.288) 6.636 2.736 ( 4.504 16.575 1.552) 17.246 3.311 ( 5.981 4.368 -4.831) 8.842 3.854 ( 4.396 13.714 0.043) 14.402 5.064 ( -2.039 -4.096 1.340) 4.768 5.126 ( 7.992 4.480 2.962) 9.629 7.819 ( -16.512 27.354 -0.784) 31.961 8.437 ( 29.447 -5.965 -4.766) 30.420 8.747 ( 1.187 1.548 1.936) 2.749 10.418 ( 1.338 5.272 -4.342) 6.959 11.680 ( 0.331 3.105 3.515) 4.702 12.344 ( -0.295 -3.841 -0.096) 3.854 ======================= Grid point 1293 (412/489) ======================= q-point: ( 0.71 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( 3.981 3.824 -0.844) 5.584 2.940 ( 0.093 16.227 0.692) 16.242 3.444 ( 7.522 2.063 -3.754) 8.656 4.015 ( -2.001 14.834 -0.059) 14.969 4.973 ( -3.025 -5.953 0.437) 6.692 5.300 ( 9.690 -1.719 2.915) 10.264 7.817 ( -13.827 25.546 -1.639) 29.094 8.577 ( 4.198 -11.230 -2.724) 12.295 8.995 ( 16.969 6.144 -0.573) 18.056 10.496 ( -0.169 11.752 -2.590) 12.035 11.691 ( -2.194 0.618 -0.279) 2.296 12.329 ( 4.254 -7.123 2.858) 8.775 ======================= Grid point 1294 (413/489) ======================= q-point: ( 0.76 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.273 ( 3.022 2.112 -1.374) 3.935 3.063 ( -3.687 14.620 0.541) 15.088 3.579 ( 7.889 1.172 -4.536) 9.175 4.081 ( -7.348 15.179 0.219) 16.866 4.853 ( -3.254 -7.139 0.366) 7.854 5.434 ( 9.138 -6.229 3.004) 11.460 7.836 ( -12.339 24.698 -2.809) 27.751 8.504 ( 1.361 -9.827 -1.529) 10.038 9.283 ( 10.412 4.773 -1.890) 11.609 10.616 ( -2.736 16.913 -0.563) 17.142 11.619 ( -2.583 -5.198 -2.183) 6.202 12.358 ( 6.672 -8.661 3.557) 11.497 ======================= Grid point 1306 (414/489) ======================= q-point: ( 0.47 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( -0.000 5.563 5.176) 7.599 1.909 ( 0.000 12.288 0.829) 12.316 2.972 ( 0.000 19.158 -9.382) 21.332 3.118 ( -0.000 9.283 6.120) 11.119 4.522 ( -0.000 25.487 3.051) 25.669 5.215 ( -0.000 -4.093 2.345) 4.718 6.688 ( 0.000 -2.236 -3.043) 3.776 8.442 ( 0.000 21.499 -4.857) 22.041 8.804 ( 0.000 18.337 -0.121) 18.337 9.612 ( -0.000 1.011 14.095) 14.131 11.711 ( 0.000 -9.061 -1.378) 9.166 12.662 ( 0.000 1.656 -7.926) 8.097 ======================= Grid point 1307 (415/489) ======================= q-point: ( 0.53 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( -1.500 6.517 1.156) 6.786 2.119 ( 8.712 11.004 1.157) 14.083 3.119 ( 0.131 15.288 -8.031) 17.270 3.288 ( 6.651 9.669 5.069) 12.783 4.785 ( 1.216 22.775 2.381) 22.931 5.179 ( -1.010 -3.470 3.259) 4.867 6.842 ( 20.165 -1.313 -2.681) 20.384 8.510 ( -13.385 23.873 -3.999) 27.660 8.866 ( -7.780 8.155 2.044) 11.455 9.843 ( 17.373 0.648 10.312) 20.213 11.632 ( -0.249 -4.973 -0.001) 4.979 12.614 ( -4.539 2.005 -7.439) 8.942 ======================= Grid point 1308 (416/489) ======================= q-point: ( 0.59 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( 0.550 6.267 0.262) 6.296 2.417 ( 12.195 11.531 0.958) 16.810 3.223 ( 0.023 10.529 -5.899) 12.069 3.549 ( 10.372 10.193 2.852) 14.819 5.003 ( 0.568 16.275 1.069) 16.320 5.133 ( -1.958 -2.571 3.356) 4.659 7.281 ( 32.062 -0.921 -2.434) 32.167 8.465 ( -19.596 25.765 -0.132) 32.371 8.801 ( -3.767 0.542 0.798) 3.889 10.155 ( 14.376 0.522 4.277) 15.008 11.620 ( 1.782 -0.907 2.518) 3.215 12.511 ( -6.909 1.689 -5.931) 9.261 ======================= Grid point 1309 (417/489) ======================= q-point: ( 0.65 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( 2.062 5.639 -0.070) 6.005 2.743 ( 11.528 12.062 0.825) 16.705 3.298 ( 0.746 7.103 -3.664) 8.027 3.842 ( 10.814 10.475 1.267) 15.109 5.052 ( -1.716 -4.352 2.487) 5.298 5.154 ( -1.183 10.091 0.173) 10.162 7.836 ( 33.325 -1.765 -2.628) 33.475 8.364 ( -18.137 19.551 2.820) 26.817 8.778 ( -1.241 4.426 -1.365) 4.795 10.369 ( 8.424 3.268 0.673) 9.061 11.676 ( 3.189 0.295 3.558) 4.787 12.383 ( -6.908 -0.160 -3.774) 7.873 ======================= Grid point 1310 (418/489) ======================= q-point: ( 0.71 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( 2.646 4.457 -0.262) 5.190 3.031 ( 7.337 12.694 0.393) 14.667 3.372 ( 2.616 4.216 -1.829) 5.288 4.112 ( 7.163 11.902 0.254) 13.893 4.969 ( -2.669 -5.723 1.216) 6.431 5.208 ( 0.454 2.453 0.225) 2.505 8.222 ( -0.159 7.351 -1.388) 7.482 8.312 ( 6.561 0.804 0.221) 6.614 8.882 ( 6.127 12.186 -0.242) 13.642 10.540 ( 5.545 8.618 -0.532) 10.262 11.723 ( 0.601 -0.687 1.734) 1.959 12.259 ( -3.844 -4.197 -0.911) 5.764 ======================= Grid point 1311 (419/489) ======================= q-point: ( 0.76 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( 2.385 2.942 -0.443) 3.813 3.232 ( 1.023 13.104 0.214) 13.146 3.465 ( 5.487 1.831 -1.565) 5.992 4.302 ( 0.002 13.760 -0.043) 13.760 4.855 ( -4.337 -5.583 -0.538) 7.090 5.241 ( 5.375 -5.581 1.585) 7.909 8.196 ( -8.269 12.276 -1.020) 14.837 8.389 ( 3.402 -5.538 -1.208) 6.610 9.185 ( 10.861 13.448 0.048) 17.287 10.736 ( 5.029 13.077 -0.113) 14.011 11.664 ( -6.061 -2.772 -1.526) 6.837 12.183 ( 2.695 -9.123 1.954) 9.711 ======================= Grid point 1324 (420/489) ======================= q-point: ( 0.53 0.53 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.016 ( 0.000 4.931 -0.718) 4.984 2.137 ( 0.000 11.079 -1.409) 11.169 3.247 ( 0.000 13.993 -5.822) 15.156 3.332 ( -0.000 8.091 5.195) 9.615 5.004 ( 0.000 20.953 0.936) 20.974 5.173 ( -0.000 -1.936 4.288) 4.705 6.655 ( 0.000 0.431 -1.559) 1.617 8.746 ( 0.000 12.892 -5.701) 14.096 9.155 ( 0.000 17.325 -0.287) 17.327 9.668 ( -0.000 -4.878 16.108) 16.830 11.594 ( 0.000 -2.004 -0.339) 2.032 12.650 ( 0.000 2.158 -7.589) 7.890 ======================= Grid point 1325 (421/489) ======================= q-point: ( 0.59 0.53 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.053 ( -0.462 5.681 -1.357) 5.859 2.324 ( 9.469 9.874 -1.198) 13.732 3.330 ( -1.959 10.345 -2.900) 10.921 3.493 ( 7.315 7.728 2.687) 10.975 5.115 ( -1.369 0.101 1.796) 2.261 5.224 ( -1.660 15.145 1.809) 15.342 6.831 ( 19.162 1.176 -0.710) 19.211 8.825 ( -1.164 9.542 -5.215) 10.936 9.064 ( -20.846 11.269 4.750) 24.168 9.893 ( 18.002 -1.371 9.405) 20.357 11.599 ( 0.882 1.050 0.851) 1.614 12.610 ( -4.321 2.174 -6.702) 8.265 ======================= Grid point 1326 (422/489) ======================= q-point: ( 0.65 0.53 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.110 ( 0.751 5.761 -0.566) 5.838 2.620 ( 13.871 9.029 -0.530) 16.559 3.381 ( -1.912 8.272 -1.194) 8.574 3.730 ( 11.509 6.308 1.422) 13.201 5.061 ( -2.780 -3.901 2.374) 5.346 5.322 ( -4.254 13.151 -1.090) 13.865 7.276 ( 30.197 1.051 -0.201) 30.216 8.769 ( -12.470 -2.100 3.807) 13.207 8.927 ( -8.671 18.687 -2.049) 20.703 10.201 ( 15.040 1.632 4.745) 15.855 11.640 ( 1.766 1.097 2.179) 3.012 12.509 ( -7.454 1.790 -5.322) 9.332 ======================= Grid point 1327 (423/489) ======================= q-point: ( 0.71 0.53 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.181 ( 1.339 4.942 0.193) 5.124 2.944 ( 13.775 8.173 -0.121) 16.017 3.423 ( -1.622 6.872 0.442) 7.074 4.012 ( 13.835 5.887 0.685) 15.051 4.967 ( -3.414 -5.548 1.603) 6.709 5.325 ( -6.799 7.826 -2.119) 10.581 7.808 ( 29.482 -0.043 0.128) 29.482 8.546 ( -11.954 -0.868 3.767) 12.564 9.000 ( -2.548 16.450 -1.571) 16.720 10.475 ( 11.529 6.421 1.770) 13.314 11.677 ( 1.880 -2.308 2.567) 3.931 12.362 ( -9.371 0.531 -3.789) 10.122 ======================= Grid point 1342 (424/489) ======================= q-point: ( 0.59 0.59 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( 0.000 5.431 -1.498) 5.634 2.326 ( 0.000 9.220 -1.781) 9.390 3.459 ( 0.000 9.928 -0.600) 9.946 3.482 ( -0.000 4.714 1.206) 4.866 5.116 ( -0.000 -3.011 2.476) 3.898 5.406 ( 0.000 16.101 -0.241) 16.103 6.680 ( -0.000 2.220 0.509) 2.277 8.891 ( 0.000 5.955 -4.618) 7.536 9.470 ( 0.000 14.548 -0.006) 14.548 9.640 ( -0.000 -7.584 14.661) 16.507 11.619 ( -0.000 3.704 0.829) 3.795 12.648 ( 0.000 2.117 -6.406) 6.746 ======================= Grid point 1343 (425/489) ======================= q-point: ( 0.65 0.59 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.159 ( 0.091 5.774 -0.237) 5.779 2.490 ( 9.435 7.767 -1.311) 12.291 3.499 ( -1.968 7.301 0.924) 7.618 3.615 ( 7.115 4.102 0.177) 8.215 5.072 ( -1.948 -4.067 1.898) 4.893 5.517 ( -3.444 12.651 -1.945) 13.255 6.870 ( 18.410 2.329 1.319) 18.604 8.886 ( -4.881 0.949 -1.875) 5.314 9.303 ( -15.854 8.137 5.093) 18.534 9.935 ( 18.942 1.009 6.020) 19.901 11.662 ( -0.353 3.837 1.512) 4.139 12.613 ( -4.181 2.042 -5.562) 7.252 ======================= Grid point 1344 (426/489) ======================= q-point: (-0.29 -0.41 -0.76) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( 0.355 5.145 0.970) 5.248 2.764 ( 14.275 6.057 -0.703) 15.523 3.541 ( -2.542 7.561 2.865) 8.476 3.811 ( 12.843 1.763 -0.276) 12.967 4.982 ( -3.705 -5.207 0.809) 6.441 5.524 ( -6.947 8.549 -3.022) 11.423 7.313 ( 28.817 1.930 1.858) 28.942 8.719 ( -11.154 -3.961 1.906) 11.989 9.229 ( -6.802 11.748 2.257) 13.761 10.279 ( 17.502 3.196 3.040) 18.049 11.675 ( -1.752 0.656 2.059) 2.782 12.513 ( -7.776 1.877 -4.567) 9.212 ======================= Grid point 1360 (427/489) ======================= q-point: (-0.35 -0.35 -0.76) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.216 ( -0.000 5.636 0.946) 5.715 2.474 ( 0.000 6.652 -1.166) 6.753 3.528 ( 0.000 0.733 -3.365) 3.444 3.643 ( -0.000 7.935 4.526) 9.135 5.052 ( -0.000 -4.638 1.014) 4.748 5.652 ( 0.000 9.648 -2.991) 10.101 6.738 ( -0.000 2.440 2.194) 3.282 8.945 ( 0.000 1.863 -1.732) 2.544 9.582 ( -0.000 -6.028 11.368) 12.867 9.715 ( 0.000 9.876 0.524) 9.890 11.716 ( -0.000 4.415 1.673) 4.722 12.651 ( 0.000 2.009 -5.203) 5.578 ======================= Grid point 1361 (428/489) ======================= q-point: (-0.29 -0.35 -0.76) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.272 ( -0.133 4.837 2.042) 5.252 2.609 ( 9.076 4.827 -0.653) 10.300 3.573 ( 6.360 0.279 -3.943) 7.489 3.726 ( -0.532 6.513 6.456) 9.186 4.984 ( -2.302 -5.381 -0.318) 5.861 5.682 ( -4.031 5.940 -3.863) 8.152 6.928 ( 18.058 1.971 2.624) 18.354 8.868 ( -8.944 -2.274 0.726) 9.257 9.454 ( -7.965 4.695 6.279) 11.176 10.001 ( 17.401 2.187 2.554) 17.722 11.738 ( -2.350 2.101 1.939) 3.701 12.620 ( -4.072 2.084 -4.616) 6.499 ======================= Grid point 1378 (429/489) ======================= q-point: (-0.29 -0.29 -0.76) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.326 ( -0.000 3.816 2.864) 4.771 2.568 ( 0.000 3.214 -0.246) 3.224 3.473 ( 0.000 -2.725 -6.631) 7.169 3.839 ( -0.000 7.629 9.423) 12.123 4.946 ( 0.000 -5.847 -1.790) 6.115 5.743 ( 0.000 2.095 -4.601) 5.055 6.794 ( -0.000 1.379 2.991) 3.293 8.941 ( -0.000 -2.326 1.275) 2.653 9.587 ( -0.000 1.062 8.323) 8.391 9.854 ( -0.000 3.602 0.948) 3.725 11.781 ( -0.000 0.344 1.963) 1.993 12.662 ( 0.000 2.248 -4.398) 4.939 ======================= Grid point 1541 (430/489) ======================= q-point: ( 0.29 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( -0.000 0.000 16.526) 16.526 0.957 ( -0.000 0.000 16.526) 16.526 1.860 ( -0.000 0.000 30.344) 30.344 2.905 ( 0.000 -0.000 -8.232) 8.232 2.905 ( 0.000 -0.000 -8.232) 8.232 5.963 ( 0.000 -0.000 -11.159) 11.159 7.041 ( -0.000 0.000 0.445) 0.445 7.041 ( -0.000 0.000 0.445) 0.445 7.718 ( 0.000 0.000 0.013) 0.013 7.718 ( -0.000 0.000 0.013) 0.013 12.550 ( -0.000 0.000 2.781) 2.781 12.799 ( -0.000 0.000 0.628) 0.628 ======================= Grid point 1542 (431/489) ======================= q-point: ( 0.35 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( 4.160 2.402 14.767) 15.528 1.227 ( 13.289 7.672 16.544) 22.565 1.936 ( 0.309 0.179 18.973) 18.976 2.969 ( 11.688 6.748 -3.022) 13.831 2.988 ( 5.439 3.140 -7.997) 10.169 5.701 ( -12.728 -7.348 -5.106) 15.558 6.936 ( -6.462 -3.731 0.357) 7.471 7.246 ( 16.022 9.250 -2.791) 18.710 7.824 ( 8.545 4.934 0.583) 9.884 8.362 ( 43.097 24.882 -9.965) 50.752 12.439 ( -10.530 -6.080 2.281) 12.371 12.741 ( -4.633 -2.675 0.880) 5.422 ======================= Grid point 1543 (432/489) ======================= q-point: ( 0.41 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( 8.816 5.090 11.843) 15.617 1.504 ( 3.988 2.302 22.647) 23.110 2.112 ( 14.451 8.343 -1.771) 16.780 3.095 ( 5.939 3.429 -6.679) 9.573 3.368 ( 21.744 12.554 3.765) 25.388 5.472 ( -6.706 -3.872 -3.269) 8.405 6.789 ( -5.909 -3.412 -0.169) 6.826 7.657 ( 19.781 11.421 -5.370) 23.464 8.076 ( 12.894 7.445 1.339) 14.949 9.274 ( 37.756 21.798 -10.226) 44.780 12.121 ( -16.782 -9.689 1.943) 19.475 12.626 ( -5.411 -3.124 0.479) 6.267 ======================= Grid point 1544 (433/489) ======================= q-point: ( 0.47 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( 11.157 6.441 8.937) 15.679 1.620 ( 2.304 1.330 17.719) 17.917 2.515 ( 20.179 11.650 -6.769) 24.264 3.209 ( 5.589 3.227 -4.516) 7.877 3.918 ( 24.273 14.014 5.751) 28.612 5.349 ( -3.768 -2.175 -1.940) 4.763 6.682 ( -3.259 -1.881 -0.671) 3.822 8.064 ( 17.090 9.867 -5.021) 20.363 8.403 ( 15.302 8.834 1.612) 17.742 9.964 ( 25.238 14.571 -9.732) 30.724 11.745 ( -15.985 -9.229 3.852) 18.856 12.514 ( -4.099 -2.367 -0.053) 4.734 ======================= Grid point 1545 (434/489) ======================= q-point: ( 0.53 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( 5.340 3.083 10.357) 12.054 1.775 ( 11.635 6.717 6.393) 14.878 2.931 ( 17.872 10.319 -6.717) 21.703 3.315 ( 4.589 2.650 -1.899) 5.629 4.471 ( 22.335 12.895 5.361) 26.341 5.277 ( -2.384 -1.376 -0.486) 2.795 6.640 ( -0.249 -0.144 -1.164) 1.199 8.392 ( 12.722 7.345 -1.903) 14.813 8.769 ( 16.312 9.418 1.351) 18.883 10.315 ( 8.612 4.972 -17.793) 20.383 11.482 ( -7.652 -4.418 9.686) 13.111 12.454 ( -1.071 -0.618 0.900) 1.529 ======================= Grid point 1546 (435/489) ======================= q-point: ( 0.59 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( 7.001 4.042 4.374) 9.192 2.048 ( 10.755 6.209 4.256) 13.128 3.270 ( 13.815 7.976 -6.417) 17.194 3.402 ( 3.165 1.827 0.754) 3.732 4.943 ( 17.207 9.935 4.504) 20.374 5.235 ( -1.070 -0.618 0.465) 1.320 6.657 ( 1.983 1.145 -1.696) 2.849 8.633 ( 8.756 5.055 1.821) 10.273 9.139 ( 15.665 9.044 0.730) 18.104 10.253 ( -6.487 -3.745 -22.245) 23.472 11.474 ( 2.919 1.685 9.126) 9.729 12.470 ( 1.587 0.916 3.220) 3.705 ======================= Grid point 1547 (436/489) ======================= q-point: ( 0.65 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( 6.987 4.034 0.277) 8.072 2.284 ( 8.879 5.126 2.531) 10.561 3.461 ( 1.461 0.843 3.148) 3.572 3.520 ( 10.226 5.904 -6.586) 13.521 5.129 ( -1.728 -0.998 1.106) 2.282 5.368 ( 12.034 6.948 3.681) 14.375 6.708 ( 2.841 1.640 -2.247) 3.976 8.808 ( 5.989 3.458 3.654) 7.822 9.470 ( 13.115 7.572 -0.003) 15.144 9.975 ( -10.624 -6.134 -18.906) 22.537 11.605 ( 5.905 3.409 2.771) 7.360 12.532 ( 2.386 1.377 4.968) 5.681 ======================= Grid point 1548 (437/489) ======================= q-point: ( 0.71 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.230 ( 5.686 3.283 -1.968) 6.854 2.462 ( 6.208 3.584 1.192) 7.266 3.486 ( -0.437 -0.252 5.144) 5.168 3.702 ( 7.966 4.599 -7.555) 11.903 5.053 ( -4.464 -2.577 0.756) 5.210 5.616 ( 7.943 4.586 4.290) 10.125 6.761 ( 2.388 1.379 -2.720) 3.874 8.925 ( 3.136 1.810 2.196) 4.235 9.703 ( -7.646 -4.414 -13.548) 16.171 9.721 ( 8.759 5.057 -0.615) 10.133 11.730 ( 4.415 2.549 -1.111) 5.218 12.600 ( 2.138 1.234 5.209) 5.765 ======================= Grid point 1559 (438/489) ======================= q-point: ( 0.35 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( -0.000 8.346 13.003) 15.451 1.206 ( -0.000 14.854 14.480) 20.744 2.033 ( -0.000 1.807 18.973) 19.058 2.798 ( 0.000 -0.972 -5.804) 5.884 3.088 ( 0.000 17.710 -5.426) 18.522 5.692 ( 0.000 -13.800 -5.665) 14.918 7.008 ( 0.000 -4.854 -1.067) 4.970 7.109 ( 0.000 11.006 0.566) 11.021 7.838 ( 0.000 11.047 0.358) 11.053 8.318 ( 0.000 44.535 -7.785) 45.210 12.459 ( -0.000 -10.241 1.961) 10.427 12.762 ( -0.000 -3.020 -0.125) 3.022 ======================= Grid point 1560 (439/489) ======================= q-point: ( 0.41 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( 0.492 11.587 10.744) 15.810 1.517 ( 8.337 9.282 17.849) 21.777 2.086 ( -0.225 9.095 3.262) 9.665 2.911 ( 11.947 0.674 -3.876) 12.578 3.322 ( 6.858 21.868 -0.396) 22.921 5.504 ( -4.789 -8.246 -3.570) 10.182 7.042 ( -11.901 12.210 -0.166) 17.052 7.211 ( 20.056 -4.415 -2.929) 20.744 8.072 ( 8.264 16.021 0.530) 18.035 8.946 ( 25.629 33.585 -7.312) 42.875 12.262 ( -9.950 -11.995 1.041) 15.619 12.685 ( -4.621 -3.130 -0.531) 5.606 ======================= Grid point 1561 (440/489) ======================= q-point: ( 0.47 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( 5.082 11.547 8.183) 15.037 1.698 ( 0.167 3.955 19.406) 19.806 2.332 ( 13.482 16.592 -7.009) 22.499 3.103 ( 9.320 3.172 -5.058) 11.068 3.748 ( 16.350 20.792 4.665) 26.859 5.368 ( -3.048 -4.500 -2.197) 5.862 6.921 ( -15.963 15.752 0.041) 22.426 7.601 ( 30.920 -6.932 -4.662) 32.029 8.368 ( 7.461 15.551 0.781) 17.266 9.658 ( 26.444 20.626 -6.021) 34.073 11.938 ( -14.563 -9.620 1.740) 17.540 12.565 ( -5.052 -2.967 -0.693) 5.900 ======================= Grid point 1562 (441/489) ======================= q-point: ( 0.53 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( 6.161 6.609 7.381) 11.667 1.825 ( 2.039 11.173 11.355) 16.060 2.730 ( 16.334 13.874 -6.448) 22.380 3.261 ( 6.199 5.473 -3.988) 9.181 4.265 ( 19.612 16.771 5.271) 26.337 5.287 ( -1.762 -3.120 -0.945) 3.706 6.834 ( -12.750 16.646 -0.324) 20.970 8.054 ( 28.974 -3.225 -3.890) 29.412 8.632 ( 8.926 9.162 1.707) 12.905 10.146 ( 14.629 10.653 -11.051) 21.204 11.643 ( -11.838 -4.353 5.697) 13.840 12.471 ( -2.459 -2.184 0.136) 3.291 ======================= Grid point 1563 (442/489) ======================= q-point: ( 0.59 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( 5.916 4.026 5.563) 9.064 2.049 ( 4.581 15.077 5.300) 16.625 3.087 ( 14.303 8.860 -5.465) 17.690 3.399 ( 3.563 7.481 -1.670) 8.452 4.750 ( 18.518 11.913 4.452) 22.464 5.234 ( -0.915 -2.774 -0.240) 2.931 6.811 ( -9.447 17.360 -0.861) 19.783 8.467 ( 19.690 2.591 -0.875) 19.879 8.875 ( 14.762 -0.485 1.108) 14.812 10.275 ( -1.717 4.330 -17.709) 18.311 11.524 ( -3.273 1.627 8.236) 9.010 12.448 ( 1.375 -1.485 2.543) 3.250 ======================= Grid point 1564 (443/489) ======================= q-point: ( 0.65 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.017 ( 6.262 4.132 1.960) 7.754 2.283 ( 4.027 14.246 2.923) 15.090 3.349 ( 11.032 3.890 -4.475) 12.525 3.518 ( 1.069 9.221 0.166) 9.285 5.107 ( 6.855 2.628 2.408) 7.726 5.232 ( 7.710 1.400 1.188) 7.926 6.839 ( -7.334 17.582 -1.523) 19.111 8.740 ( 8.047 4.040 3.415) 9.630 9.141 ( 20.839 -7.812 -2.948) 22.450 10.141 ( -10.928 6.139 -15.738) 20.119 11.575 ( 2.471 3.663 3.892) 5.888 12.492 ( 3.722 -1.609 4.818) 6.297 ======================= Grid point 1565 (444/489) ======================= q-point: ( 0.71 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( 5.762 3.593 -0.650) 6.822 2.476 ( 2.246 12.465 1.567) 12.762 3.512 ( 5.098 2.868 -0.984) 5.932 3.620 ( 1.889 7.561 -1.693) 7.975 5.082 ( -2.669 -3.880 -0.124) 4.711 5.490 ( 12.253 2.954 3.481) 13.076 6.887 ( -6.725 17.245 -2.168) 18.636 8.862 ( 4.177 -1.797 2.999) 5.447 9.360 ( 15.754 -10.112 -6.427) 19.792 10.004 ( -10.664 14.067 -8.264) 19.491 11.671 ( 4.164 2.196 -0.399) 4.725 12.559 ( 4.098 -2.143 5.390) 7.103 ======================= Grid point 1577 (445/489) ======================= q-point: ( 0.41 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( -0.000 10.844 7.138) 12.983 1.594 ( -0.000 12.090 15.763) 19.866 2.220 ( 0.000 12.547 -0.555) 12.560 2.811 ( 0.000 4.349 -0.047) 4.349 3.494 ( 0.000 24.643 -0.751) 24.654 5.446 ( 0.000 -8.554 -2.861) 9.020 6.878 ( 0.000 -6.339 -2.675) 6.881 7.469 ( 0.000 23.497 0.435) 23.501 8.112 ( 0.000 15.859 0.287) 15.862 9.044 ( 0.000 30.995 -1.736) 31.043 12.213 ( -0.000 -14.209 -0.510) 14.218 12.694 ( 0.000 -2.772 -2.732) 3.892 ======================= Grid point 1578 (446/489) ======================= q-point: ( 0.47 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( 1.351 11.967 4.883) 12.996 1.772 ( 2.887 5.328 15.688) 16.818 2.365 ( 2.277 20.127 -7.300) 21.531 2.961 ( 9.129 5.585 -0.021) 10.702 3.799 ( 6.501 25.355 2.081) 26.258 5.350 ( -1.577 -5.715 -1.480) 6.111 7.013 ( 22.380 -6.468 -3.790) 23.602 7.481 ( -20.787 24.613 0.355) 32.218 8.387 ( 8.463 15.346 0.045) 17.525 9.474 ( 17.597 21.134 2.142) 27.585 12.013 ( -6.564 -12.670 -1.108) 14.313 12.618 ( -4.351 -2.110 -3.501) 5.970 ======================= Grid point 1579 (447/489) ======================= q-point: ( 0.53 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( 2.361 8.462 4.829) 10.025 1.929 ( 3.657 9.813 10.207) 14.624 2.645 ( 9.083 18.868 -6.928) 22.057 3.177 ( 9.002 6.864 -1.956) 11.488 4.203 ( 11.520 22.041 3.890) 25.173 5.275 ( -1.404 -4.020 -0.304) 4.269 7.343 ( -14.281 23.047 -0.653) 27.121 7.443 ( 25.930 -2.928 -3.267) 26.299 8.622 ( 4.601 9.664 0.894) 10.741 9.963 ( 17.543 12.156 -0.323) 21.345 11.778 ( -8.178 -7.357 1.010) 11.046 12.507 ( -4.650 -1.613 -2.808) 5.667 ======================= Grid point 1580 (448/489) ======================= q-point: ( 0.59 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( 3.351 5.533 4.317) 7.777 2.157 ( 4.559 15.793 4.998) 17.181 2.953 ( 10.604 12.083 -5.141) 16.878 3.389 ( 7.112 9.784 -1.988) 12.258 4.620 ( 13.472 15.930 3.732) 21.194 5.217 ( -1.076 -3.626 0.199) 3.788 7.278 ( -18.353 27.232 0.100) 32.839 7.957 ( 34.722 -3.713 -3.652) 35.111 8.751 ( 3.449 2.303 1.758) 4.505 10.249 ( 6.416 6.088 -7.090) 11.336 11.633 ( -4.866 -0.438 4.387) 6.566 12.429 ( -1.443 -1.917 -0.434) 2.438 ======================= Grid point 1581 (449/489) ======================= q-point: ( 0.65 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( 4.618 4.857 2.202) 7.055 2.401 ( 3.082 17.475 2.497) 17.919 3.200 ( 9.833 5.800 -3.496) 11.939 3.590 ( 3.721 12.468 -1.162) 13.063 4.982 ( 12.837 8.852 3.094) 15.897 5.167 ( -0.177 -3.784 -0.074) 3.789 7.260 ( -15.394 27.291 -0.361) 31.336 8.485 ( 29.990 -0.454 -2.359) 30.086 8.803 ( 3.998 -5.210 0.831) 6.619 10.290 ( -3.452 6.095 -9.516) 11.816 11.618 ( -1.229 3.605 3.330) 5.059 12.420 ( 2.656 -3.292 2.841) 5.095 ======================= Grid point 1582 (450/489) ======================= q-point: ( 0.71 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( 4.973 4.102 0.280) 6.453 2.611 ( 0.744 17.009 1.267) 17.072 3.388 ( 8.840 2.616 -2.582) 9.573 3.739 ( -0.871 12.936 -0.337) 12.970 5.075 ( -1.765 -4.290 -0.565) 4.673 5.303 ( 13.050 2.396 2.725) 13.545 7.280 ( -13.449 26.686 -1.088) 29.903 8.783 ( 1.775 -6.663 0.838) 6.946 8.935 ( 23.715 -2.877 -3.552) 24.151 10.256 ( -6.221 11.411 -6.585) 14.570 11.653 ( 0.452 2.833 -0.201) 2.876 12.460 ( 4.970 -4.862 4.711) 8.398 ======================= Grid point 1595 (451/489) ======================= q-point: ( 0.47 0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( -0.000 11.677 1.430) 11.764 1.834 ( -0.000 4.194 10.584) 11.384 2.532 ( 0.000 21.453 -9.250) 23.362 2.960 ( -0.000 8.463 5.323) 9.998 4.011 ( 0.000 26.956 1.497) 26.998 5.306 ( -0.000 -5.002 -0.195) 5.006 6.746 ( 0.000 -4.752 -3.233) 5.747 7.963 ( 0.000 25.308 -0.886) 25.324 8.446 ( 0.000 17.796 -0.217) 17.797 9.515 ( -0.000 14.745 9.653) 17.624 11.926 ( 0.000 -13.230 -2.824) 13.528 12.628 ( 0.000 -0.969 -5.786) 5.866 ======================= Grid point 1596 (452/489) ======================= q-point: ( 0.53 0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( 0.218 9.385 0.919) 9.432 1.946 ( 5.654 6.331 5.384) 10.052 2.733 ( 2.253 20.875 -7.511) 22.300 3.121 ( 5.993 8.869 4.223) 11.507 4.316 ( 4.266 25.330 1.935) 25.759 5.257 ( -0.865 -3.780 0.936) 3.990 6.883 ( 21.111 -4.013 -3.322) 21.744 7.998 ( -19.647 26.663 -0.501) 33.123 8.663 ( 2.997 12.555 -0.210) 12.909 9.804 ( 14.243 8.626 10.361) 19.612 11.775 ( -2.366 -9.791 -2.316) 10.336 12.566 ( -4.065 0.083 -6.033) 7.275 ======================= Grid point 1597 (453/489) ======================= q-point: ( 0.59 0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( 0.963 6.153 1.305) 6.363 2.187 ( 9.452 11.855 2.288) 15.333 2.950 ( 3.974 15.485 -5.123) 16.788 3.349 ( 8.425 10.394 1.879) 13.511 4.641 ( 6.211 20.234 1.650) 21.230 5.206 ( -1.442 -3.394 1.324) 3.918 7.311 ( 32.957 -3.182 -3.150) 33.260 7.914 ( -21.393 28.986 0.559) 36.030 8.763 ( -0.249 4.257 0.646) 4.313 10.134 ( 12.228 4.295 4.375) 13.679 11.670 ( -1.029 -3.886 0.479) 4.048 12.470 ( -4.908 0.259 -4.424) 6.613 ======================= Grid point 1598 (454/489) ======================= q-point: ( 0.65 0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.968 ( 2.732 5.470 0.802) 6.167 2.480 ( 8.234 14.751 1.163) 16.934 3.132 ( 4.918 8.930 -2.598) 10.521 3.612 ( 8.073 12.643 0.176) 15.002 4.922 ( 6.975 12.936 1.171) 14.743 5.147 ( -1.759 -3.827 0.761) 4.280 7.838 ( -3.600 19.336 -0.624) 19.678 7.886 ( 19.534 7.494 -1.036) 20.947 8.768 ( -0.714 -0.762 0.663) 1.237 10.312 ( 4.276 3.459 -1.116) 5.612 11.665 ( 0.672 1.279 1.865) 2.359 12.390 ( -2.433 -1.525 -1.295) 3.150 ======================= Grid point 1599 (455/489) ======================= q-point: ( 0.71 0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( 3.669 4.772 0.268) 6.025 2.745 ( 4.421 16.183 0.401) 16.780 3.284 ( 6.062 4.419 -0.710) 7.536 3.851 ( 4.107 14.107 -0.635) 14.707 5.067 ( -2.462 -3.655 -0.660) 4.456 5.148 ( 8.557 3.908 1.540) 9.533 7.819 ( -17.230 27.554 0.856) 32.509 8.396 ( 27.952 -5.758 -3.753) 28.785 8.764 ( 2.429 1.115 1.552) 3.090 10.385 ( 0.116 7.298 -2.550) 7.732 11.695 ( -0.808 3.060 -0.324) 3.182 12.354 ( 1.797 -4.959 2.157) 5.699 ======================= Grid point 1613 (456/489) ======================= q-point: ( 0.53 0.53 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( 0.000 11.828 -1.769) 11.959 1.934 ( -0.000 3.148 0.835) 3.257 2.896 ( 0.000 19.707 -6.097) 20.629 3.180 ( -0.000 9.179 6.492) 11.243 4.542 ( 0.000 25.571 1.023) 25.591 5.236 ( -0.000 -2.986 2.040) 3.616 6.661 ( 0.000 -1.851 -2.418) 3.046 8.403 ( 0.000 19.995 -3.092) 20.233 8.800 ( 0.000 18.354 -0.587) 18.363 9.764 ( -0.000 2.244 17.383) 17.527 11.688 ( 0.000 -8.132 -3.511) 8.858 12.587 ( 0.000 1.225 -7.445) 7.545 ======================= Grid point 1614 (457/489) ======================= q-point: ( 0.59 0.53 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.936 ( -1.077 5.870 -1.654) 6.193 2.119 ( 9.646 10.016 -1.323) 13.968 3.062 ( 0.159 16.052 -3.583) 16.448 3.336 ( 5.631 9.216 4.589) 11.734 4.796 ( 1.237 22.320 -0.015) 22.354 5.207 ( -1.229 -2.562 2.440) 3.746 6.820 ( 19.927 -0.721 -1.721) 20.014 8.480 ( -11.381 22.131 -2.320) 24.994 8.880 ( -7.563 9.853 0.826) 12.449 9.961 ( 13.178 -0.106 13.998) 19.226 11.622 ( 0.817 -3.864 -2.177) 4.510 12.545 ( -3.880 1.878 -6.874) 8.114 ======================= Grid point 1615 (458/489) ======================= q-point: ( 0.65 0.53 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.991 ( 1.135 5.904 -1.156) 6.122 2.418 ( 12.919 11.116 -0.814) 17.062 3.188 ( 0.025 11.185 -1.188) 11.248 3.574 ( 9.499 9.966 2.168) 13.937 5.003 ( 0.897 15.651 -1.099) 15.715 5.158 ( -2.533 -2.066 1.800) 3.731 7.264 ( 31.617 -0.284 -1.113) 31.638 8.469 ( -17.629 26.183 1.064) 31.583 8.806 ( -5.053 0.194 0.179) 5.060 10.210 ( 10.878 0.273 7.085) 12.985 11.633 ( 2.942 -0.216 0.040) 2.950 12.458 ( -5.739 1.441 -4.926) 7.699 ======================= Grid point 1631 (459/489) ======================= q-point: ( 0.59 0.59 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.998 ( 0.000 4.677 -2.969) 5.540 2.117 ( 0.000 11.193 -2.651) 11.503 3.213 ( 0.000 14.923 -1.193) 14.971 3.375 ( -0.000 6.856 3.540) 7.716 5.002 ( 0.000 20.041 -1.250) 20.080 5.209 ( -0.000 -0.967 3.027) 3.178 6.645 ( 0.000 1.104 -0.515) 1.219 8.696 ( 0.000 12.356 -4.662) 13.207 9.151 ( 0.000 17.494 -0.505) 17.501 9.841 ( -0.000 -6.053 19.631) 20.543 11.581 ( 0.000 -0.601 -2.505) 2.576 12.578 ( 0.000 2.489 -7.291) 7.705 ======================= Grid point 1632 (460/489) ======================= q-point: (-0.35 -0.41 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.036 ( -0.018 6.156 -2.009) 6.476 2.308 ( 9.973 10.033 -2.192) 14.315 3.321 ( -2.151 11.308 1.079) 11.561 3.513 ( 7.274 6.483 1.313) 9.832 5.121 ( -1.229 3.718 -0.465) 3.943 5.235 ( -2.178 11.200 0.418) 11.417 6.829 ( 18.984 1.859 0.445) 19.080 8.778 ( -0.903 9.785 -4.506) 10.810 9.108 ( -19.113 12.284 4.056) 23.080 10.002 ( 14.622 -3.895 13.081) 20.002 11.598 ( 1.476 2.205 -1.110) 2.876 12.547 ( -3.862 2.542 -6.329) 7.838 ======================= Grid point 1649 (461/489) ======================= q-point: (-0.35 -0.35 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.094 ( 0.000 6.492 -1.128) 6.589 2.307 ( 0.000 9.631 -2.238) 9.888 3.472 ( -0.000 10.997 3.322) 11.488 3.482 ( 0.000 3.162 -1.111) 3.352 5.131 ( -0.000 -2.531 0.688) 2.623 5.395 ( 0.000 14.968 -2.034) 15.106 6.690 ( -0.000 2.823 1.499) 3.196 8.847 ( 0.000 6.719 -4.426) 8.046 9.470 ( 0.000 14.815 -0.002) 14.815 9.797 ( -0.000 -10.025 17.723) 20.362 11.621 ( 0.000 4.904 -0.637) 4.945 12.586 ( 0.000 2.666 -6.222) 6.769 ======================= Grid point 1849 (462/489) ======================= q-point: ( 0.35 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( -0.000 0.000 13.439) 13.439 1.102 ( -0.000 0.000 13.439) 13.439 2.122 ( -0.000 0.000 23.836) 23.836 2.828 ( 0.000 -0.000 -7.608) 7.608 2.828 ( 0.000 -0.000 -7.608) 7.608 5.860 ( 0.000 -0.000 -10.102) 10.102 7.045 ( -0.000 0.000 0.367) 0.367 7.045 ( -0.000 0.000 0.367) 0.367 7.718 ( -0.000 0.000 0.011) 0.011 7.718 ( 0.000 0.000 0.011) 0.011 12.577 ( -0.000 0.000 2.781) 2.781 12.803 ( -0.000 0.000 0.069) 0.069 ======================= Grid point 1850 (463/489) ======================= q-point: ( 0.41 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( 3.561 2.056 12.249) 12.921 1.366 ( 15.240 8.799 12.052) 21.329 2.089 ( -6.660 -3.845 12.675) 14.826 2.908 ( 5.635 3.254 -8.339) 10.577 2.956 ( 14.922 8.615 0.218) 17.232 5.649 ( -10.938 -6.315 -5.281) 13.690 6.942 ( -6.608 -3.815 0.898) 7.683 7.217 ( 14.385 8.305 -3.138) 16.904 7.829 ( 8.909 5.143 0.564) 10.302 8.287 ( 39.937 23.058 -5.766) 46.475 12.461 ( -10.787 -6.228 2.146) 12.640 12.748 ( -4.390 -2.535 0.521) 5.096 ======================= Grid point 1851 (464/489) ======================= q-point: ( 0.47 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( 7.905 4.564 9.991) 13.533 1.716 ( 5.708 3.296 20.952) 21.964 2.072 ( 9.598 5.541 -6.195) 12.697 3.024 ( 6.720 3.880 -7.872) 11.053 3.410 ( 22.806 13.167 4.586) 26.731 5.441 ( -6.210 -3.585 -2.935) 7.748 6.793 ( -6.194 -3.576 0.899) 7.209 7.604 ( 19.432 11.219 -5.512) 23.105 8.088 ( 13.130 7.581 1.273) 15.215 9.184 ( 37.708 21.771 -8.284) 44.322 12.143 ( -16.471 -9.509 2.500) 19.183 12.632 ( -5.593 -3.229 0.822) 6.510 ======================= Grid point 1852 (465/489) ======================= q-point: ( 0.53 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( 10.265 5.926 7.539) 14.047 1.782 ( -0.593 -0.342 15.303) 15.318 2.450 ( 20.585 11.885 -6.032) 24.523 3.156 ( 6.801 3.926 -6.324) 10.083 3.969 ( 24.313 14.037 4.687) 28.463 5.330 ( -3.257 -1.880 -1.838) 4.185 6.682 ( -3.631 -2.096 0.677) 4.247 8.019 ( 18.003 10.394 -4.238) 21.216 8.418 ( 15.307 8.837 1.507) 17.739 9.857 ( 23.277 13.439 -12.167) 29.503 11.791 ( -14.409 -8.319 5.351) 17.478 12.521 ( -4.024 -2.323 1.456) 4.870 ======================= Grid point 1853 (466/489) ======================= q-point: ( 0.59 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( 10.858 6.269 5.359) 13.635 1.847 ( 2.907 1.679 8.977) 9.584 2.878 ( 17.883 10.325 -3.957) 21.025 3.286 ( 6.010 3.470 -4.028) 8.024 4.515 ( 22.188 12.810 3.726) 25.890 5.269 ( -1.956 -1.130 -1.230) 2.572 6.635 ( -0.691 -0.399 0.157) 0.813 8.380 ( 14.241 8.222 -0.513) 16.453 8.782 ( 16.125 9.310 1.241) 18.661 10.132 ( 5.617 3.243 -19.780) 20.816 11.572 ( -6.342 -3.662 8.511) 11.229 12.476 ( -0.477 -0.276 3.592) 3.634 ======================= Grid point 1854 (467/489) ======================= q-point: ( 0.65 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( 5.051 2.916 4.380) 7.294 2.086 ( 10.105 5.834 3.599) 12.211 3.223 ( 13.472 7.778 -3.154) 15.873 3.399 ( 4.582 2.645 -1.425) 5.480 4.981 ( 17.066 9.853 3.132) 19.954 5.230 ( -0.659 -0.380 -1.390) 1.585 6.646 ( 1.527 0.881 -0.633) 1.873 8.658 ( 9.830 5.676 3.223) 11.800 9.146 ( 15.380 8.880 0.659) 17.772 10.041 ( -5.956 -3.439 -21.613) 22.681 11.544 ( 1.068 0.617 5.460) 5.598 12.514 ( 2.047 1.182 5.810) 6.272 ======================= Grid point 1867 (468/489) ======================= q-point: ( 0.41 0.41 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( -0.000 7.065 8.410) 10.984 1.334 ( -0.000 15.424 11.817) 19.430 2.177 ( -0.000 -4.210 10.742) 11.537 2.755 ( 0.000 0.756 -2.936) 3.032 3.042 ( 0.000 19.719 -3.853) 20.092 5.638 ( 0.000 -11.825 -5.213) 12.923 6.996 ( 0.000 -5.663 -1.404) 5.834 7.118 ( -0.000 11.038 1.404) 11.127 7.840 ( 0.000 11.182 0.134) 11.183 8.261 ( 0.000 42.699 -4.191) 42.904 12.476 ( -0.000 -11.091 1.559) 11.200 12.760 ( -0.000 -3.611 -0.273) 3.622 ======================= Grid point 1868 (469/489) ======================= q-point: ( 0.47 0.41 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( 1.034 9.700 7.428) 12.261 1.669 ( 12.030 12.502 13.248) 21.830 2.097 ( -5.379 2.533 -0.553) 5.971 2.876 ( 9.671 2.359 -3.272) 10.478 3.325 ( 9.606 22.659 0.828) 24.625 5.472 ( -4.370 -7.493 -2.868) 9.136 7.044 ( -9.019 10.163 0.511) 13.597 7.184 ( 15.739 -2.543 -2.534) 16.143 8.076 ( 8.458 15.860 0.339) 17.978 8.891 ( 24.456 35.664 -4.156) 43.443 12.271 ( -9.470 -12.968 0.819) 16.078 12.681 ( -4.017 -4.233 -0.296) 5.843 ======================= Grid point 1869 (470/489) ======================= q-point: ( 0.53 0.41 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( 5.367 9.966 5.937) 12.782 1.870 ( -1.539 1.082 15.539) 15.653 2.260 ( 14.388 17.198 -7.253) 23.567 3.051 ( 8.248 4.754 -5.413) 10.951 3.788 ( 17.436 20.725 3.479) 27.306 5.349 ( -2.860 -3.910 -1.598) 5.101 6.928 ( -16.173 15.473 1.468) 22.431 7.557 ( 30.746 -6.621 -4.336) 31.748 8.376 ( 7.895 15.480 0.761) 17.394 9.600 ( 23.373 23.055 -5.918) 33.360 11.958 ( -12.814 -10.289 2.259) 16.588 12.563 ( -4.279 -4.027 0.316) 5.885 ======================= Grid point 1870 (471/489) ======================= q-point: ( 0.59 0.41 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( 6.705 6.532 4.976) 10.601 1.922 ( -0.012 8.210 8.113) 11.542 2.682 ( 16.858 13.741 -3.000) 21.955 3.217 ( 6.637 6.653 -5.040) 10.664 4.306 ( 19.602 16.782 3.157) 25.997 5.276 ( -1.702 -2.585 -1.099) 3.284 6.838 ( -13.145 16.368 1.160) 21.025 8.022 ( 30.042 -3.346 -2.802) 30.357 8.647 ( 9.171 9.354 1.387) 13.173 10.031 ( 9.510 12.409 -12.454) 19.988 11.697 ( -9.422 -4.793 5.444) 11.891 12.482 ( -1.182 -2.884 2.339) 3.897 ======================= Grid point 1871 (472/489) ======================= q-point: ( 0.65 0.41 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.908 ( 5.405 2.700 4.130) 7.319 2.094 ( 3.688 14.103 3.791) 15.062 3.052 ( 14.253 8.546 -1.471) 16.684 3.374 ( 4.625 8.390 -3.358) 10.152 4.784 ( 18.471 12.031 2.446) 22.179 5.226 ( -1.040 -2.393 -1.442) 2.981 6.810 ( -9.965 17.097 0.474) 19.795 8.466 ( 22.282 1.958 0.622) 22.377 8.882 ( 13.533 -0.850 0.279) 13.563 10.109 ( -4.526 7.556 -16.568) 18.764 11.588 ( -3.327 0.292 5.035) 6.042 12.486 ( 2.626 -1.954 5.170) 6.119 ======================= Grid point 1885 (473/489) ======================= q-point: ( 0.47 0.47 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.470 ( -0.000 9.489 1.971) 9.692 1.739 ( -0.000 13.464 14.316) 19.652 2.180 ( 0.000 6.551 -7.572) 10.013 2.828 ( -0.000 6.206 3.541) 7.145 3.488 ( 0.000 25.937 -0.672) 25.946 5.422 ( 0.000 -7.551 -1.936) 7.795 6.852 ( 0.000 -6.795 -2.723) 7.320 7.482 ( -0.000 22.772 2.241) 22.881 8.112 ( 0.000 15.790 -0.223) 15.792 9.042 ( 0.000 35.105 1.228) 35.126 12.205 ( 0.000 -15.456 -1.255) 15.507 12.671 ( 0.000 -4.361 -2.076) 4.830 ======================= Grid point 1886 (474/489) ======================= q-point: ( 0.53 0.47 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( 2.510 10.560 1.069) 10.906 1.906 ( 3.081 1.615 11.542) 12.055 2.284 ( 3.104 20.584 -9.004) 22.681 2.971 ( 6.061 7.313 2.200) 9.749 3.814 ( 7.670 25.822 0.806) 26.949 5.340 ( -1.554 -4.837 -0.672) 5.125 6.978 ( 21.881 -6.520 -3.441) 23.090 7.493 ( -20.737 23.969 2.042) 31.761 8.386 ( 8.761 15.169 -0.278) 17.519 9.503 ( 15.045 25.259 3.823) 29.648 11.999 ( -5.506 -13.589 -1.762) 14.767 12.589 ( -3.453 -3.796 -2.427) 5.677 ======================= Grid point 1887 (475/489) ======================= q-point: ( 0.59 0.47 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( 3.681 7.944 1.605) 8.901 2.003 ( 3.170 6.659 4.427) 8.601 2.594 ( 10.141 18.826 -3.157) 21.616 3.163 ( 6.850 8.687 -0.760) 11.089 4.229 ( 12.225 21.853 1.412) 25.080 5.273 ( -1.583 -3.279 -0.140) 3.644 7.341 ( -2.889 16.207 0.028) 16.463 7.420 ( 14.377 3.670 -1.388) 14.903 8.628 ( 5.242 9.675 0.328) 11.009 9.961 ( 12.354 15.043 -0.144) 19.467 11.785 ( -5.936 -7.868 0.382) 9.864 12.488 ( -3.047 -3.073 -0.981) 4.437 ======================= Grid point 1888 (476/489) ======================= q-point: ( 0.65 0.47 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( 3.850 4.504 1.710) 6.167 2.190 ( 4.466 14.444 1.669) 15.211 2.926 ( 11.097 11.667 -0.227) 16.103 3.369 ( 6.320 11.211 -2.139) 13.046 4.643 ( 13.853 15.679 1.116) 20.951 5.215 ( -1.484 -3.080 -0.594) 3.471 7.287 ( -18.739 27.014 1.752) 32.924 7.928 ( 35.190 -3.874 -2.257) 35.474 8.763 ( 3.684 2.228 0.597) 4.347 10.185 ( 1.671 9.157 -6.062) 11.108 11.664 ( -3.558 -1.293 1.942) 4.255 12.438 ( 0.669 -3.109 2.195) 3.864 ======================= Grid point 1903 (477/489) ======================= q-point: ( 0.53 0.53 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( 0.000 11.097 -2.368) 11.347 1.910 ( -0.000 0.006 4.094) 4.094 2.448 ( 0.000 22.959 -7.185) 24.057 3.020 ( -0.000 9.050 7.008) 11.446 4.018 ( 0.000 27.555 -0.257) 27.556 5.307 ( -0.000 -4.060 0.447) 4.084 6.717 ( 0.000 -4.712 -2.756) 5.459 7.965 ( 0.000 23.664 1.159) 23.692 8.441 ( 0.000 17.740 -0.769) 17.757 9.618 ( -0.000 19.050 11.702) 22.357 11.891 ( 0.000 -13.772 -4.339) 14.440 12.578 ( 0.000 -2.572 -4.487) 5.171 ======================= Grid point 1904 (478/489) ======================= q-point: ( 0.59 0.53 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( 1.445 9.269 -2.310) 9.661 1.969 ( 6.102 3.727 -1.127) 7.238 2.680 ( 2.923 21.417 -2.898) 21.809 3.167 ( 3.939 9.402 5.186) 11.437 4.324 ( 4.589 25.373 -0.534) 25.791 5.266 ( -1.062 -3.000 1.027) 3.344 6.855 ( 20.856 -3.652 -2.433) 21.313 8.002 ( -18.724 25.443 1.290) 31.617 8.658 ( 3.359 12.704 -0.855) 13.169 9.912 ( 10.226 11.233 12.052) 19.391 11.744 ( -1.012 -9.754 -4.074) 10.619 12.515 ( -3.062 -1.258 -4.421) 5.522 ======================= Grid point 1921 (479/489) ======================= q-point: (-0.41 -0.41 -0.65) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( 0.000 11.957 -3.830) 12.555 1.915 ( 0.000 2.190 -4.743) 5.224 2.862 ( 0.000 20.449 -0.825) 20.466 3.239 ( -0.000 8.322 5.698) 10.086 4.540 ( 0.000 25.563 -1.424) 25.603 5.254 ( -0.000 -2.341 1.710) 2.899 6.642 ( 0.000 -1.349 -1.416) 1.956 8.383 ( 0.000 18.249 -1.202) 18.289 8.793 ( 0.000 18.453 -0.976) 18.478 9.942 ( -0.000 4.045 19.394) 19.811 11.642 ( 0.000 -7.373 -6.077) 9.555 12.522 ( 0.000 0.391 -5.916) 5.929 ======================= Grid point 2158 (480/489) ======================= q-point: ( 0.41 0.41 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( -0.000 0.000 8.998) 8.998 1.211 ( -0.000 0.000 8.998) 8.998 2.312 ( -0.000 0.000 15.422) 15.422 2.763 ( 0.000 -0.000 -5.542) 5.542 2.763 ( 0.000 -0.000 -5.542) 5.542 5.775 ( 0.000 -0.000 -7.179) 7.179 7.048 ( -0.000 0.000 0.241) 0.241 7.048 ( -0.000 0.000 0.241) 0.241 7.718 ( -0.000 0.000 0.007) 0.007 7.718 ( -0.000 0.000 0.007) 0.007 12.601 ( -0.000 0.000 2.161) 2.161 12.801 ( 0.000 -0.000 -0.270) 0.270 ======================= Grid point 2159 (481/489) ======================= q-point: ( 0.47 0.41 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( 3.465 2.000 8.504) 9.398 1.453 ( 16.126 9.311 5.696) 19.473 2.183 ( -10.602 -6.121 7.326) 14.267 2.832 ( 5.208 3.007 -7.313) 9.468 2.969 ( 17.316 9.997 2.234) 20.119 5.605 ( -9.549 -5.513 -3.539) 11.580 6.952 ( -6.484 -3.744 1.305) 7.600 7.187 ( 12.690 7.326 -3.065) 14.970 7.834 ( 9.242 5.336 0.473) 10.682 8.247 ( 37.774 21.809 -2.896) 43.713 12.479 ( -10.883 -6.283 1.505) 12.656 12.752 ( -4.039 -2.332 0.290) 4.673 ======================= Grid point 2160 (482/489) ======================= q-point: ( 0.53 0.41 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( 7.427 4.288 7.096) 11.131 1.894 ( 15.461 8.926 13.417) 22.332 2.005 ( -1.202 -0.694 -5.106) 5.291 2.947 ( 6.962 4.019 -7.908) 11.276 3.451 ( 23.135 13.357 3.584) 26.953 5.418 ( -5.899 -3.406 -1.633) 7.005 6.806 ( -6.277 -3.624 1.802) 7.469 7.553 ( 19.294 11.139 -4.940) 22.820 8.100 ( 13.355 7.711 1.048) 15.457 9.115 ( 36.084 20.833 -6.147) 42.117 12.168 ( -15.668 -9.046 2.477) 18.260 12.641 ( -5.371 -3.101 1.113) 6.301 ======================= Grid point 2161 (483/489) ======================= q-point: ( 0.59 0.41 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( 9.701 5.601 5.376) 12.425 1.896 ( -2.169 -1.252 7.246) 7.666 2.414 ( 21.318 12.308 -0.579) 24.623 3.090 ( 7.618 4.398 -7.288) 11.424 4.004 ( 24.155 13.946 2.586) 28.011 5.315 ( -3.147 -1.817 -1.245) 3.841 6.694 ( -3.917 -2.261 1.875) 4.896 7.985 ( 19.163 11.064 -2.919) 22.320 8.431 ( 15.328 8.850 1.215) 17.741 9.736 ( 20.143 11.629 -12.674) 26.488 11.844 ( -12.929 -7.465 5.378) 15.868 12.542 ( -3.371 -1.946 2.966) 4.894 ======================= Grid point 2176 (484/489) ======================= q-point: ( 0.47 0.47 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( -0.000 5.690 2.593) 6.252 1.428 ( -0.000 16.614 7.572) 18.258 2.239 ( -0.000 -9.271 2.529) 9.610 2.745 ( -0.000 2.821 0.921) 2.967 3.014 ( 0.000 21.031 -2.355) 21.163 5.598 ( 0.000 -10.561 -2.916) 10.956 6.981 ( 0.000 -6.430 -1.566) 6.618 7.136 ( -0.000 11.703 2.124) 11.894 7.840 ( 0.000 11.155 -0.102) 11.155 8.234 ( 0.000 41.932 -1.561) 41.961 12.487 ( -0.000 -11.862 0.690) 11.882 12.757 ( 0.000 -3.963 -0.315) 3.976 ======================= Grid point 2177 (485/489) ======================= q-point: ( 0.53 0.47 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( 2.758 7.768 2.697) 8.673 1.761 ( 13.382 18.167 5.296) 23.177 2.086 ( -6.581 -5.010 -1.055) 8.338 2.853 ( 5.805 4.773 -1.396) 7.644 3.333 ( 11.822 22.412 0.557) 25.345 5.452 ( -4.073 -7.020 -1.102) 8.191 7.049 ( -2.560 6.317 0.376) 6.827 7.166 ( 7.907 1.570 -1.078) 8.133 8.078 ( 8.785 15.654 0.117) 17.951 8.865 ( 22.771 37.172 -1.343) 43.613 12.276 ( -8.667 -13.816 0.311) 16.312 12.679 ( -3.362 -4.953 -0.100) 5.987 ======================= Grid point 2178 (486/489) ======================= q-point: ( 0.59 0.47 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( 6.315 8.502 2.760) 10.945 1.965 ( -3.693 -0.485 1.811) 4.142 2.222 ( 17.451 17.410 1.444) 24.693 3.003 ( 6.230 6.753 -4.378) 10.177 3.812 ( 18.106 20.308 1.339) 27.241 5.339 ( -2.963 -3.641 -0.502) 4.721 6.948 ( -16.385 15.453 2.646) 22.678 7.520 ( 30.810 -6.292 -3.426) 31.632 8.382 ( 8.350 15.349 0.574) 17.482 9.546 ( 19.137 24.727 -5.134) 31.686 11.979 ( -10.823 -10.967 2.223) 15.568 12.571 ( -3.125 -4.654 1.342) 5.764 ======================= Grid point 2194 (487/489) ======================= q-point: ( 0.53 0.53 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( 0.000 8.674 -3.044) 9.193 1.866 ( -0.000 17.506 11.592) 20.996 2.079 ( 0.000 -0.215 -12.836) 12.838 2.877 ( -0.000 7.527 6.443) 9.908 3.477 ( 0.000 26.567 -1.823) 26.630 5.412 ( -0.000 -6.915 -0.230) 6.919 6.826 ( 0.000 -7.116 -2.429) 7.519 7.511 ( -0.000 22.376 3.796) 22.696 8.108 ( 0.000 15.639 -0.686) 15.654 9.067 ( -0.000 38.712 3.827) 38.901 12.189 ( 0.000 -16.824 -1.991) 16.941 12.654 ( 0.000 -5.507 -1.519) 5.713 ======================= Grid point 2467 (488/489) ======================= q-point: ( 0.47 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( -0.000 0.000 3.203) 3.203 1.271 ( -0.000 0.000 3.203) 3.203 2.413 ( -0.000 0.000 5.365) 5.365 2.726 ( 0.000 -0.000 -2.058) 2.058 2.726 ( 0.000 -0.000 -2.058) 2.058 5.727 ( 0.000 -0.000 -2.618) 2.618 7.050 ( -0.000 0.000 0.084) 0.084 7.050 ( -0.000 0.000 0.084) 0.084 7.718 ( -0.000 0.000 0.003) 0.003 7.718 ( -0.000 0.000 0.003) 0.003 12.616 ( -0.000 0.000 0.838) 0.838 12.799 ( 0.000 -0.000 -0.176) 0.176 ======================= Grid point 2468 (489/489) ======================= q-point: ( 0.53 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( 3.945 2.278 3.414) 5.692 1.473 ( 15.622 9.019 -1.466) 18.098 2.234 ( -10.718 -6.188 3.174) 12.777 2.773 ( 4.096 2.365 -4.708) 6.673 2.992 ( 18.316 10.575 2.282) 21.273 5.586 ( -8.900 -5.138 -0.425) 10.285 6.966 ( -6.119 -3.533 1.534) 7.230 7.159 ( 11.212 6.473 -2.696) 13.225 7.838 ( 9.505 5.487 0.313) 10.979 8.230 ( 36.581 21.120 -0.639) 42.245 12.488 ( -10.726 -6.193 0.456) 12.393 12.754 ( -3.705 -2.139 0.262) 4.286 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/58956 10.0 577.099 577.099 1858.128 0.000 -0.000 -0.000 3/58956 20.0 303.714 303.714 634.554 0.000 -0.000 -0.000 3/58956 30.0 152.531 152.531 215.513 0.000 -0.000 -0.000 3/58956 40.0 93.832 93.832 97.109 0.000 -0.000 -0.000 3/58956 50.0 65.221 65.221 55.751 0.000 -0.000 -0.000 3/58956 60.0 48.286 48.286 37.173 0.000 -0.000 -0.000 3/58956 70.0 37.280 37.280 27.171 0.000 -0.000 -0.000 3/58956 80.0 29.774 29.774 21.099 0.000 -0.000 -0.000 3/58956 90.0 24.478 24.478 17.099 0.000 -0.000 -0.000 3/58956 100.0 20.626 20.626 14.305 0.000 -0.000 -0.000 3/58956 110.0 17.744 17.744 12.263 0.000 -0.000 -0.000 3/58956 120.0 15.532 15.532 10.717 0.000 -0.000 -0.000 3/58956 130.0 13.794 13.794 9.511 0.000 -0.000 -0.000 3/58956 140.0 12.400 12.400 8.549 0.000 -0.000 -0.000 3/58956 150.0 11.261 11.261 7.764 0.000 -0.000 -0.000 3/58956 160.0 10.315 10.315 7.113 0.000 -0.000 -0.000 3/58956 170.0 9.517 9.517 6.564 0.000 -0.000 -0.000 3/58956 180.0 8.837 8.837 6.096 0.000 -0.000 -0.000 3/58956 190.0 8.250 8.250 5.692 0.000 -0.000 -0.000 3/58956 200.0 7.738 7.738 5.340 0.000 -0.000 -0.000 3/58956 210.0 7.288 7.288 5.031 0.000 -0.000 -0.000 3/58956 220.0 6.890 6.890 4.756 0.000 -0.000 -0.000 3/58956 230.0 6.534 6.534 4.511 0.000 -0.000 -0.000 3/58956 240.0 6.214 6.214 4.291 0.000 -0.000 -0.000 3/58956 250.0 5.926 5.926 4.092 0.000 -0.000 -0.000 3/58956 260.0 5.664 5.664 3.911 0.000 -0.000 -0.000 3/58956 270.0 5.425 5.425 3.746 0.000 -0.000 -0.000 3/58956 280.0 5.206 5.206 3.595 0.000 -0.000 -0.000 3/58956 290.0 5.004 5.004 3.456 0.000 -0.000 -0.000 3/58956 300.0 4.818 4.818 3.328 0.000 -0.000 -0.000 3/58956 310.0 4.646 4.646 3.209 0.000 -0.000 -0.000 3/58956 320.0 4.486 4.486 3.099 0.000 -0.000 -0.000 3/58956 330.0 4.338 4.338 2.996 0.000 -0.000 -0.000 3/58956 340.0 4.198 4.198 2.900 0.000 -0.000 -0.000 3/58956 350.0 4.068 4.068 2.810 0.000 -0.000 -0.000 3/58956 360.0 3.946 3.946 2.726 0.000 -0.000 -0.000 3/58956 370.0 3.832 3.832 2.646 0.000 -0.000 -0.000 3/58956 380.0 3.723 3.723 2.572 0.000 -0.000 -0.000 3/58956 390.0 3.621 3.621 2.501 0.000 -0.000 -0.000 3/58956 400.0 3.525 3.525 2.435 0.000 -0.000 -0.000 3/58956 410.0 3.434 3.434 2.372 0.000 -0.000 -0.000 3/58956 420.0 3.347 3.347 2.312 0.000 -0.000 -0.000 3/58956 430.0 3.265 3.265 2.255 0.000 -0.000 -0.000 3/58956 440.0 3.187 3.187 2.201 0.000 -0.000 -0.000 3/58956 450.0 3.112 3.112 2.150 0.000 -0.000 -0.000 3/58956 460.0 3.041 3.041 2.101 0.000 -0.000 -0.000 3/58956 470.0 2.974 2.974 2.054 0.000 -0.000 -0.000 3/58956 480.0 2.909 2.909 2.009 0.000 -0.000 -0.000 3/58956 490.0 2.847 2.847 1.966 0.000 -0.000 -0.000 3/58956 500.0 2.788 2.788 1.925 0.000 -0.000 -0.000 3/58956 510.0 2.731 2.731 1.886 0.000 -0.000 -0.000 3/58956 520.0 2.676 2.676 1.848 0.000 -0.000 -0.000 3/58956 530.0 2.624 2.624 1.812 0.000 -0.000 -0.000 3/58956 540.0 2.574 2.574 1.777 0.000 -0.000 -0.000 3/58956 550.0 2.525 2.525 1.744 0.000 -0.000 -0.000 3/58956 560.0 2.479 2.479 1.712 0.000 -0.000 -0.000 3/58956 570.0 2.434 2.434 1.681 0.000 -0.000 -0.000 3/58956 580.0 2.390 2.390 1.651 0.000 -0.000 -0.000 3/58956 590.0 2.349 2.349 1.622 0.000 -0.000 -0.000 3/58956 600.0 2.308 2.308 1.594 0.000 -0.000 -0.000 3/58956 610.0 2.270 2.270 1.567 0.000 -0.000 -0.000 3/58956 620.0 2.232 2.232 1.541 0.000 -0.000 -0.000 3/58956 630.0 2.196 2.196 1.516 0.000 -0.000 -0.000 3/58956 640.0 2.160 2.160 1.492 0.000 -0.000 -0.000 3/58956 650.0 2.126 2.126 1.468 0.000 -0.000 -0.000 3/58956 660.0 2.093 2.093 1.446 0.000 -0.000 -0.000 3/58956 670.0 2.061 2.061 1.424 0.000 -0.000 -0.000 3/58956 680.0 2.030 2.030 1.402 0.000 -0.000 -0.000 3/58956 690.0 2.000 2.000 1.381 0.000 -0.000 -0.000 3/58956 700.0 1.971 1.971 1.361 0.000 -0.000 -0.000 3/58956 710.0 1.943 1.943 1.342 0.000 -0.000 -0.000 3/58956 720.0 1.915 1.915 1.323 0.000 -0.000 -0.000 3/58956 730.0 1.889 1.889 1.304 0.000 -0.000 -0.000 3/58956 740.0 1.863 1.863 1.286 0.000 -0.000 -0.000 3/58956 750.0 1.837 1.837 1.269 0.000 -0.000 -0.000 3/58956 760.0 1.813 1.813 1.252 0.000 -0.000 -0.000 3/58956 770.0 1.789 1.789 1.235 0.000 -0.000 -0.000 3/58956 780.0 1.766 1.766 1.219 0.000 -0.000 -0.000 3/58956 790.0 1.743 1.743 1.203 0.000 -0.000 -0.000 3/58956 800.0 1.721 1.721 1.188 0.000 -0.000 -0.000 3/58956 810.0 1.699 1.699 1.173 0.000 -0.000 -0.000 3/58956 820.0 1.678 1.678 1.159 0.000 -0.000 -0.000 3/58956 830.0 1.658 1.658 1.144 0.000 -0.000 -0.000 3/58956 840.0 1.638 1.638 1.131 0.000 -0.000 -0.000 3/58956 850.0 1.618 1.618 1.117 0.000 -0.000 -0.000 3/58956 860.0 1.599 1.599 1.104 0.000 -0.000 -0.000 3/58956 870.0 1.580 1.580 1.091 0.000 -0.000 -0.000 3/58956 880.0 1.562 1.562 1.079 0.000 -0.000 -0.000 3/58956 890.0 1.544 1.544 1.066 0.000 -0.000 -0.000 3/58956 900.0 1.527 1.527 1.054 0.000 -0.000 -0.000 3/58956 910.0 1.510 1.510 1.043 0.000 -0.000 -0.000 3/58956 920.0 1.493 1.493 1.031 0.000 -0.000 -0.000 3/58956 930.0 1.477 1.477 1.020 0.000 -0.000 -0.000 3/58956 940.0 1.461 1.461 1.009 0.000 -0.000 -0.000 3/58956 950.0 1.446 1.446 0.998 0.000 -0.000 -0.000 3/58956 960.0 1.430 1.430 0.988 0.000 -0.000 -0.000 3/58956 970.0 1.416 1.416 0.977 0.000 -0.000 -0.000 3/58956 980.0 1.401 1.401 0.967 0.000 -0.000 -0.000 3/58956 990.0 1.387 1.387 0.957 0.000 -0.000 -0.000 3/58956 1000.0 1.373 1.373 0.948 0.000 -0.000 -0.000 3/58956 Thermal conductivity related properties were written into "kappa-m171717.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:45:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|