----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 01:43:34]------------------------- 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 1.996564051046705 1.152716792326142 6.373305406666660 b -1.996564051046700 1.152716792326142 6.373305406666660 c 0.000000000000002 -2.305433584652288 6.373305406666660 Atomic positions (fractional): *1 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 *2 Se 0.75144144614331 0.75144144614331 0.75144144614331 78.960 3 Se 0.24855855385669 0.24855855385669 0.24855855385669 78.960 *4 Ho 0.00000000000000 0.00000000000000 0.00000000000000 164.930 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.993128102093405 0.000000000000000 0.000000000000000 b -1.996564051046702 3.458150376978430 0.000000000000000 c 0.000000000000000 0.000000000000000 19.119916220000000 Atomic positions (fractional): *1 Li 0.33333333333333 0.66666666666667 0.16666666666667 6.941 > 1 2 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 1 3 Li 0.66666666666667 0.33333333333333 0.83333333333333 6.941 > 1 *4 Se 0.66666666666667 0.33333333333333 0.08477477947664 78.960 > 2 5 Se 0.00000000000000 0.00000000000000 0.24855855385669 78.960 > 3 6 Se 0.33333333333333 0.66666666666667 0.41810811280998 78.960 > 2 7 Se 0.66666666666667 0.33333333333333 0.58189188719002 78.960 > 3 8 Se 0.00000000000000 0.00000000000000 0.75144144614331 78.960 > 2 9 Se 0.33333333333333 0.66666666666667 0.91522522052336 78.960 > 3 *10 Ho 0.00000000000000 0.00000000000000 0.00000000000000 164.930 > 4 11 Ho 0.66666666666667 0.33333333333333 0.33333333333333 164.930 > 4 12 Ho 0.33333333333333 0.66666666666667 0.66666666666667 164.930 > 4 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.979384306280215 0.000000000000000 0.000000000000000 b -5.989692153140106 10.374451130935290 0.000000000000000 c 0.000000000000000 0.000000000000000 19.119916220000000 Atomic positions (fractional): *1 Li 0.11111111111111 0.22222222222222 0.16666666666667 6.941 > 1 2 Li 0.44444444444444 0.22222222222222 0.16666666666667 6.941 > 1 3 Li 0.77777777777778 0.22222222222222 0.16666666666667 6.941 > 1 4 Li 0.11111111111111 0.55555555555556 0.16666666666667 6.941 > 1 5 Li 0.44444444444444 0.55555555555556 0.16666666666667 6.941 > 1 6 Li 0.77777777777778 0.55555555555556 0.16666666666667 6.941 > 1 7 Li 0.11111111111111 0.88888888888889 0.16666666666667 6.941 > 1 8 Li 0.44444444444444 0.88888888888889 0.16666666666667 6.941 > 1 9 Li 0.77777777777778 0.88888888888889 0.16666666666667 6.941 > 1 10 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 1 11 Li 0.33333333333333 0.00000000000000 0.50000000000000 6.941 > 1 12 Li 0.66666666666667 0.00000000000000 0.50000000000000 6.941 > 1 13 Li 0.00000000000000 0.33333333333333 0.50000000000000 6.941 > 1 14 Li 0.33333333333333 0.33333333333333 0.50000000000000 6.941 > 1 15 Li 0.66666666666667 0.33333333333333 0.50000000000000 6.941 > 1 16 Li 0.00000000000000 0.66666666666667 0.50000000000000 6.941 > 1 17 Li 0.33333333333333 0.66666666666667 0.50000000000000 6.941 > 1 18 Li 0.66666666666667 0.66666666666667 0.50000000000000 6.941 > 1 19 Li 0.22222222222222 0.11111111111111 0.83333333333333 6.941 > 1 20 Li 0.55555555555556 0.11111111111111 0.83333333333333 6.941 > 1 21 Li 0.88888888888889 0.11111111111111 0.83333333333333 6.941 > 1 22 Li 0.22222222222222 0.44444444444444 0.83333333333333 6.941 > 1 23 Li 0.55555555555556 0.44444444444444 0.83333333333333 6.941 > 1 24 Li 0.88888888888889 0.44444444444444 0.83333333333333 6.941 > 1 25 Li 0.22222222222222 0.77777777777778 0.83333333333333 6.941 > 1 26 Li 0.55555555555556 0.77777777777778 0.83333333333333 6.941 > 1 27 Li 0.88888888888889 0.77777777777778 0.83333333333333 6.941 > 1 *28 Se 0.22222222222222 0.11111111111111 0.08477477947664 78.960 > 2 29 Se 0.55555555555556 0.11111111111111 0.08477477947664 78.960 > 2 30 Se 0.88888888888889 0.11111111111111 0.08477477947664 78.960 > 2 31 Se 0.22222222222222 0.44444444444444 0.08477477947664 78.960 > 2 32 Se 0.55555555555556 0.44444444444444 0.08477477947664 78.960 > 2 33 Se 0.88888888888889 0.44444444444444 0.08477477947664 78.960 > 2 34 Se 0.22222222222222 0.77777777777778 0.08477477947664 78.960 > 2 35 Se 0.55555555555556 0.77777777777778 0.08477477947664 78.960 > 2 36 Se 0.88888888888889 0.77777777777778 0.08477477947664 78.960 > 2 37 Se 0.00000000000000 0.00000000000000 0.24855855385669 78.960 > 3 38 Se 0.33333333333333 0.00000000000000 0.24855855385669 78.960 > 3 39 Se 0.66666666666667 0.00000000000000 0.24855855385669 78.960 > 3 40 Se 0.00000000000000 0.33333333333333 0.24855855385669 78.960 > 3 41 Se 0.33333333333333 0.33333333333333 0.24855855385669 78.960 > 3 42 Se 0.66666666666667 0.33333333333333 0.24855855385669 78.960 > 3 43 Se 0.00000000000000 0.66666666666667 0.24855855385669 78.960 > 3 44 Se 0.33333333333333 0.66666666666667 0.24855855385669 78.960 > 3 45 Se 0.66666666666667 0.66666666666667 0.24855855385669 78.960 > 3 46 Se 0.11111111111111 0.22222222222222 0.41810811280998 78.960 > 2 47 Se 0.44444444444444 0.22222222222222 0.41810811280998 78.960 > 2 48 Se 0.77777777777778 0.22222222222222 0.41810811280998 78.960 > 2 49 Se 0.11111111111111 0.55555555555556 0.41810811280998 78.960 > 2 50 Se 0.44444444444444 0.55555555555556 0.41810811280998 78.960 > 2 51 Se 0.77777777777778 0.55555555555556 0.41810811280998 78.960 > 2 52 Se 0.11111111111111 0.88888888888889 0.41810811280998 78.960 > 2 53 Se 0.44444444444444 0.88888888888889 0.41810811280998 78.960 > 2 54 Se 0.77777777777778 0.88888888888889 0.41810811280998 78.960 > 2 55 Se 0.22222222222222 0.11111111111111 0.58189188719002 78.960 > 3 56 Se 0.55555555555556 0.11111111111111 0.58189188719002 78.960 > 3 57 Se 0.88888888888889 0.11111111111111 0.58189188719002 78.960 > 3 58 Se 0.22222222222222 0.44444444444444 0.58189188719002 78.960 > 3 59 Se 0.55555555555556 0.44444444444444 0.58189188719002 78.960 > 3 60 Se 0.88888888888889 0.44444444444444 0.58189188719002 78.960 > 3 61 Se 0.22222222222222 0.77777777777778 0.58189188719002 78.960 > 3 62 Se 0.55555555555556 0.77777777777778 0.58189188719002 78.960 > 3 63 Se 0.88888888888889 0.77777777777778 0.58189188719002 78.960 > 3 64 Se 0.00000000000000 0.00000000000000 0.75144144614331 78.960 > 2 65 Se 0.33333333333333 0.00000000000000 0.75144144614331 78.960 > 2 66 Se 0.66666666666667 0.00000000000000 0.75144144614331 78.960 > 2 67 Se 0.00000000000000 0.33333333333333 0.75144144614331 78.960 > 2 68 Se 0.33333333333333 0.33333333333333 0.75144144614331 78.960 > 2 69 Se 0.66666666666667 0.33333333333333 0.75144144614331 78.960 > 2 70 Se 0.00000000000000 0.66666666666667 0.75144144614331 78.960 > 2 71 Se 0.33333333333333 0.66666666666667 0.75144144614331 78.960 > 2 72 Se 0.66666666666667 0.66666666666667 0.75144144614331 78.960 > 2 73 Se 0.11111111111111 0.22222222222222 0.91522522052336 78.960 > 3 74 Se 0.44444444444444 0.22222222222222 0.91522522052336 78.960 > 3 75 Se 0.77777777777778 0.22222222222222 0.91522522052336 78.960 > 3 76 Se 0.11111111111111 0.55555555555556 0.91522522052336 78.960 > 3 77 Se 0.44444444444444 0.55555555555556 0.91522522052336 78.960 > 3 78 Se 0.77777777777778 0.55555555555556 0.91522522052336 78.960 > 3 79 Se 0.11111111111111 0.88888888888889 0.91522522052336 78.960 > 3 80 Se 0.44444444444444 0.88888888888889 0.91522522052336 78.960 > 3 81 Se 0.77777777777778 0.88888888888889 0.91522522052336 78.960 > 3 *82 Ho 0.00000000000000 0.00000000000000 0.00000000000000 164.930 > 4 83 Ho 0.33333333333333 0.00000000000000 0.00000000000000 164.930 > 4 84 Ho 0.66666666666667 0.00000000000000 0.00000000000000 164.930 > 4 85 Ho 0.00000000000000 0.33333333333333 0.00000000000000 164.930 > 4 86 Ho 0.33333333333333 0.33333333333333 0.00000000000000 164.930 > 4 87 Ho 0.66666666666667 0.33333333333333 0.00000000000000 164.930 > 4 88 Ho 0.00000000000000 0.66666666666667 0.00000000000000 164.930 > 4 89 Ho 0.33333333333333 0.66666666666667 0.00000000000000 164.930 > 4 90 Ho 0.66666666666667 0.66666666666667 0.00000000000000 164.930 > 4 91 Ho 0.22222222222222 0.11111111111111 0.33333333333333 164.930 > 4 92 Ho 0.55555555555556 0.11111111111111 0.33333333333333 164.930 > 4 93 Ho 0.88888888888889 0.11111111111111 0.33333333333333 164.930 > 4 94 Ho 0.22222222222222 0.44444444444444 0.33333333333333 164.930 > 4 95 Ho 0.55555555555556 0.44444444444444 0.33333333333333 164.930 > 4 96 Ho 0.88888888888889 0.44444444444444 0.33333333333333 164.930 > 4 97 Ho 0.22222222222222 0.77777777777778 0.33333333333333 164.930 > 4 98 Ho 0.55555555555556 0.77777777777778 0.33333333333333 164.930 > 4 99 Ho 0.88888888888889 0.77777777777778 0.33333333333333 164.930 > 4 100 Ho 0.11111111111111 0.22222222222222 0.66666666666667 164.930 > 4 101 Ho 0.44444444444444 0.22222222222222 0.66666666666667 164.930 > 4 102 Ho 0.77777777777778 0.22222222222222 0.66666666666667 164.930 > 4 103 Ho 0.11111111111111 0.55555555555556 0.66666666666667 164.930 > 4 104 Ho 0.44444444444444 0.55555555555556 0.66666666666667 164.930 > 4 105 Ho 0.77777777777778 0.55555555555556 0.66666666666667 164.930 > 4 106 Ho 0.11111111111111 0.88888888888889 0.66666666666667 164.930 > 4 107 Ho 0.44444444444444 0.88888888888889 0.66666666666667 164.930 > 4 108 Ho 0.77777777777778 0.88888888888889 0.66666666666667 164.930 > 4 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.2221936 0.0000000 0.0000000 0.0000000 8.2221936 0.0000000 0.0000000 0.0000000 6.3085727 -------------------------- Born effective charges -------------------------- 1 Li 1.2810014 0.0000000 0.0000000 0.0000000 1.2810014 0.0000000 0.0000000 0.0000000 1.7279062 2 Se -2.9026845 0.0000000 0.0000000 0.0000000 -2.9026845 0.0000000 0.0000000 0.0000000 -2.0310926 3 Se -2.9026845 0.0000000 0.0000000 0.0000000 -2.9026845 0.0000000 0.0000000 0.0000000 -2.0310926 4 Ho 4.5243675 0.0000000 0.0000000 0.0000000 4.5243675 0.0000000 0.0000000 0.0000000 2.3342791 ---------------------------------------------------------------------------- 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: 214 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: 0.127 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.134 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) 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: 214 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 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 01:43:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 01:43:38]------------------------- 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 1.996564051046705 1.152716792326142 6.373305406666660 b -1.996564051046700 1.152716792326142 6.373305406666660 c 0.000000000000002 -2.305433584652288 6.373305406666660 Atomic positions (fractional): 1 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 2 Se 0.75144144614331 0.75144144614331 0.75144144614331 78.960 3 Se 0.24855855385669 0.24855855385669 0.24855855385669 78.960 4 Ho 0.00000000000000 0.00000000000000 0.00000000000000 164.930 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.979384306280215 0.000000000000000 0.000000000000000 b -5.989692153140106 10.374451130935290 0.000000000000000 c 0.000000000000000 0.000000000000000 19.119916220000000 Atomic positions (fractional): 1 Li 0.11111111111111 0.22222222222222 0.16666666666667 6.941 > 1 2 Li 0.44444444444444 0.22222222222222 0.16666666666667 6.941 > 1 3 Li 0.77777777777778 0.22222222222222 0.16666666666667 6.941 > 1 4 Li 0.11111111111111 0.55555555555556 0.16666666666667 6.941 > 1 5 Li 0.44444444444444 0.55555555555556 0.16666666666667 6.941 > 1 6 Li 0.77777777777778 0.55555555555556 0.16666666666667 6.941 > 1 7 Li 0.11111111111111 0.88888888888889 0.16666666666667 6.941 > 1 8 Li 0.44444444444444 0.88888888888889 0.16666666666667 6.941 > 1 9 Li 0.77777777777778 0.88888888888889 0.16666666666667 6.941 > 1 10 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 1 11 Li 0.33333333333333 0.00000000000000 0.50000000000000 6.941 > 1 12 Li 0.66666666666667 0.00000000000000 0.50000000000000 6.941 > 1 13 Li 0.00000000000000 0.33333333333333 0.50000000000000 6.941 > 1 14 Li 0.33333333333333 0.33333333333333 0.50000000000000 6.941 > 1 15 Li 0.66666666666667 0.33333333333333 0.50000000000000 6.941 > 1 16 Li 0.00000000000000 0.66666666666667 0.50000000000000 6.941 > 1 17 Li 0.33333333333333 0.66666666666667 0.50000000000000 6.941 > 1 18 Li 0.66666666666667 0.66666666666667 0.50000000000000 6.941 > 1 19 Li 0.22222222222222 0.11111111111111 0.83333333333333 6.941 > 1 20 Li 0.55555555555556 0.11111111111111 0.83333333333333 6.941 > 1 21 Li 0.88888888888889 0.11111111111111 0.83333333333333 6.941 > 1 22 Li 0.22222222222222 0.44444444444444 0.83333333333333 6.941 > 1 23 Li 0.55555555555556 0.44444444444444 0.83333333333333 6.941 > 1 24 Li 0.88888888888889 0.44444444444444 0.83333333333333 6.941 > 1 25 Li 0.22222222222222 0.77777777777778 0.83333333333333 6.941 > 1 26 Li 0.55555555555556 0.77777777777778 0.83333333333333 6.941 > 1 27 Li 0.88888888888889 0.77777777777778 0.83333333333333 6.941 > 1 28 Se 0.22222222222222 0.11111111111111 0.08477477947664 78.960 > 28 29 Se 0.55555555555556 0.11111111111111 0.08477477947664 78.960 > 28 30 Se 0.88888888888889 0.11111111111111 0.08477477947664 78.960 > 28 31 Se 0.22222222222222 0.44444444444444 0.08477477947664 78.960 > 28 32 Se 0.55555555555556 0.44444444444444 0.08477477947664 78.960 > 28 33 Se 0.88888888888889 0.44444444444444 0.08477477947664 78.960 > 28 34 Se 0.22222222222222 0.77777777777778 0.08477477947664 78.960 > 28 35 Se 0.55555555555556 0.77777777777778 0.08477477947664 78.960 > 28 36 Se 0.88888888888889 0.77777777777778 0.08477477947664 78.960 > 28 37 Se 0.00000000000000 0.00000000000000 0.24855855385669 78.960 > 37 38 Se 0.33333333333333 0.00000000000000 0.24855855385669 78.960 > 37 39 Se 0.66666666666667 0.00000000000000 0.24855855385669 78.960 > 37 40 Se 0.00000000000000 0.33333333333333 0.24855855385669 78.960 > 37 41 Se 0.33333333333333 0.33333333333333 0.24855855385669 78.960 > 37 42 Se 0.66666666666667 0.33333333333333 0.24855855385669 78.960 > 37 43 Se 0.00000000000000 0.66666666666667 0.24855855385669 78.960 > 37 44 Se 0.33333333333333 0.66666666666667 0.24855855385669 78.960 > 37 45 Se 0.66666666666667 0.66666666666667 0.24855855385669 78.960 > 37 46 Se 0.11111111111111 0.22222222222222 0.41810811280998 78.960 > 28 47 Se 0.44444444444444 0.22222222222222 0.41810811280998 78.960 > 28 48 Se 0.77777777777778 0.22222222222222 0.41810811280998 78.960 > 28 49 Se 0.11111111111111 0.55555555555556 0.41810811280998 78.960 > 28 50 Se 0.44444444444444 0.55555555555556 0.41810811280998 78.960 > 28 51 Se 0.77777777777778 0.55555555555556 0.41810811280998 78.960 > 28 52 Se 0.11111111111111 0.88888888888889 0.41810811280998 78.960 > 28 53 Se 0.44444444444444 0.88888888888889 0.41810811280998 78.960 > 28 54 Se 0.77777777777778 0.88888888888889 0.41810811280998 78.960 > 28 55 Se 0.22222222222222 0.11111111111111 0.58189188719002 78.960 > 37 56 Se 0.55555555555556 0.11111111111111 0.58189188719002 78.960 > 37 57 Se 0.88888888888889 0.11111111111111 0.58189188719002 78.960 > 37 58 Se 0.22222222222222 0.44444444444444 0.58189188719002 78.960 > 37 59 Se 0.55555555555556 0.44444444444444 0.58189188719002 78.960 > 37 60 Se 0.88888888888889 0.44444444444444 0.58189188719002 78.960 > 37 61 Se 0.22222222222222 0.77777777777778 0.58189188719002 78.960 > 37 62 Se 0.55555555555556 0.77777777777778 0.58189188719002 78.960 > 37 63 Se 0.88888888888889 0.77777777777778 0.58189188719002 78.960 > 37 64 Se 0.00000000000000 0.00000000000000 0.75144144614331 78.960 > 28 65 Se 0.33333333333333 0.00000000000000 0.75144144614331 78.960 > 28 66 Se 0.66666666666667 0.00000000000000 0.75144144614331 78.960 > 28 67 Se 0.00000000000000 0.33333333333333 0.75144144614331 78.960 > 28 68 Se 0.33333333333333 0.33333333333333 0.75144144614331 78.960 > 28 69 Se 0.66666666666667 0.33333333333333 0.75144144614331 78.960 > 28 70 Se 0.00000000000000 0.66666666666667 0.75144144614331 78.960 > 28 71 Se 0.33333333333333 0.66666666666667 0.75144144614331 78.960 > 28 72 Se 0.66666666666667 0.66666666666667 0.75144144614331 78.960 > 28 73 Se 0.11111111111111 0.22222222222222 0.91522522052336 78.960 > 37 74 Se 0.44444444444444 0.22222222222222 0.91522522052336 78.960 > 37 75 Se 0.77777777777778 0.22222222222222 0.91522522052336 78.960 > 37 76 Se 0.11111111111111 0.55555555555556 0.91522522052336 78.960 > 37 77 Se 0.44444444444444 0.55555555555556 0.91522522052336 78.960 > 37 78 Se 0.77777777777778 0.55555555555556 0.91522522052336 78.960 > 37 79 Se 0.11111111111111 0.88888888888889 0.91522522052336 78.960 > 37 80 Se 0.44444444444444 0.88888888888889 0.91522522052336 78.960 > 37 81 Se 0.77777777777778 0.88888888888889 0.91522522052336 78.960 > 37 82 Ho 0.00000000000000 0.00000000000000 0.00000000000000 164.930 > 82 83 Ho 0.33333333333333 0.00000000000000 0.00000000000000 164.930 > 82 84 Ho 0.66666666666667 0.00000000000000 0.00000000000000 164.930 > 82 85 Ho 0.00000000000000 0.33333333333333 0.00000000000000 164.930 > 82 86 Ho 0.33333333333333 0.33333333333333 0.00000000000000 164.930 > 82 87 Ho 0.66666666666667 0.33333333333333 0.00000000000000 164.930 > 82 88 Ho 0.00000000000000 0.66666666666667 0.00000000000000 164.930 > 82 89 Ho 0.33333333333333 0.66666666666667 0.00000000000000 164.930 > 82 90 Ho 0.66666666666667 0.66666666666667 0.00000000000000 164.930 > 82 91 Ho 0.22222222222222 0.11111111111111 0.33333333333333 164.930 > 82 92 Ho 0.55555555555556 0.11111111111111 0.33333333333333 164.930 > 82 93 Ho 0.88888888888889 0.11111111111111 0.33333333333333 164.930 > 82 94 Ho 0.22222222222222 0.44444444444444 0.33333333333333 164.930 > 82 95 Ho 0.55555555555556 0.44444444444444 0.33333333333333 164.930 > 82 96 Ho 0.88888888888889 0.44444444444444 0.33333333333333 164.930 > 82 97 Ho 0.22222222222222 0.77777777777778 0.33333333333333 164.930 > 82 98 Ho 0.55555555555556 0.77777777777778 0.33333333333333 164.930 > 82 99 Ho 0.88888888888889 0.77777777777778 0.33333333333333 164.930 > 82 100 Ho 0.11111111111111 0.22222222222222 0.66666666666667 164.930 > 82 101 Ho 0.44444444444444 0.22222222222222 0.66666666666667 164.930 > 82 102 Ho 0.77777777777778 0.22222222222222 0.66666666666667 164.930 > 82 103 Ho 0.11111111111111 0.55555555555556 0.66666666666667 164.930 > 82 104 Ho 0.44444444444444 0.55555555555556 0.66666666666667 164.930 > 82 105 Ho 0.77777777777778 0.55555555555556 0.66666666666667 164.930 > 82 106 Ho 0.11111111111111 0.88888888888889 0.66666666666667 164.930 > 82 107 Ho 0.44444444444444 0.88888888888889 0.66666666666667 164.930 > 82 108 Ho 0.77777777777778 0.88888888888889 0.66666666666667 164.930 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.2221936 0.0000000 0.0000000 0.0000000 8.2221936 0.0000000 0.0000000 0.0000000 6.3085727 -------------------------- Born effective charges -------------------------- 1 Li 1.2810014 0.0000000 0.0000000 0.0000000 1.2810014 0.0000000 0.0000000 0.0000000 1.7279062 2 Se -2.9026845 0.0000000 0.0000000 0.0000000 -2.9026845 0.0000000 0.0000000 0.0000000 -2.0310926 3 Se -2.9026845 0.0000000 0.0000000 0.0000000 -2.9026845 0.0000000 0.0000000 0.0000000 -2.0310926 4 Ho 4.5243675 0.0000000 0.0000000 0.0000000 4.5243675 0.0000000 0.0000000 0.0000000 2.3342791 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 28, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 01:43:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 01:43:43]------------------------- 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 1.996564051046705 1.152716792326142 6.373305406666660 b -1.996564051046700 1.152716792326142 6.373305406666660 c 0.000000000000002 -2.305433584652288 6.373305406666660 Atomic positions (fractional): 1 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 2 Se 0.75144144614331 0.75144144614331 0.75144144614331 78.960 3 Se 0.24855855385669 0.24855855385669 0.24855855385669 78.960 4 Ho 0.00000000000000 0.00000000000000 0.00000000000000 164.930 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.979384306280215 0.000000000000000 0.000000000000000 b -5.989692153140106 10.374451130935290 0.000000000000000 c 0.000000000000000 0.000000000000000 19.119916220000000 Atomic positions (fractional): 1 Li 0.11111111111111 0.22222222222222 0.16666666666667 6.941 > 1 2 Li 0.44444444444444 0.22222222222222 0.16666666666667 6.941 > 1 3 Li 0.77777777777778 0.22222222222222 0.16666666666667 6.941 > 1 4 Li 0.11111111111111 0.55555555555556 0.16666666666667 6.941 > 1 5 Li 0.44444444444444 0.55555555555556 0.16666666666667 6.941 > 1 6 Li 0.77777777777778 0.55555555555556 0.16666666666667 6.941 > 1 7 Li 0.11111111111111 0.88888888888889 0.16666666666667 6.941 > 1 8 Li 0.44444444444444 0.88888888888889 0.16666666666667 6.941 > 1 9 Li 0.77777777777778 0.88888888888889 0.16666666666667 6.941 > 1 10 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 1 11 Li 0.33333333333333 0.00000000000000 0.50000000000000 6.941 > 1 12 Li 0.66666666666667 0.00000000000000 0.50000000000000 6.941 > 1 13 Li 0.00000000000000 0.33333333333333 0.50000000000000 6.941 > 1 14 Li 0.33333333333333 0.33333333333333 0.50000000000000 6.941 > 1 15 Li 0.66666666666667 0.33333333333333 0.50000000000000 6.941 > 1 16 Li 0.00000000000000 0.66666666666667 0.50000000000000 6.941 > 1 17 Li 0.33333333333333 0.66666666666667 0.50000000000000 6.941 > 1 18 Li 0.66666666666667 0.66666666666667 0.50000000000000 6.941 > 1 19 Li 0.22222222222222 0.11111111111111 0.83333333333333 6.941 > 1 20 Li 0.55555555555556 0.11111111111111 0.83333333333333 6.941 > 1 21 Li 0.88888888888889 0.11111111111111 0.83333333333333 6.941 > 1 22 Li 0.22222222222222 0.44444444444444 0.83333333333333 6.941 > 1 23 Li 0.55555555555556 0.44444444444444 0.83333333333333 6.941 > 1 24 Li 0.88888888888889 0.44444444444444 0.83333333333333 6.941 > 1 25 Li 0.22222222222222 0.77777777777778 0.83333333333333 6.941 > 1 26 Li 0.55555555555556 0.77777777777778 0.83333333333333 6.941 > 1 27 Li 0.88888888888889 0.77777777777778 0.83333333333333 6.941 > 1 28 Se 0.22222222222222 0.11111111111111 0.08477477947664 78.960 > 28 29 Se 0.55555555555556 0.11111111111111 0.08477477947664 78.960 > 28 30 Se 0.88888888888889 0.11111111111111 0.08477477947664 78.960 > 28 31 Se 0.22222222222222 0.44444444444444 0.08477477947664 78.960 > 28 32 Se 0.55555555555556 0.44444444444444 0.08477477947664 78.960 > 28 33 Se 0.88888888888889 0.44444444444444 0.08477477947664 78.960 > 28 34 Se 0.22222222222222 0.77777777777778 0.08477477947664 78.960 > 28 35 Se 0.55555555555556 0.77777777777778 0.08477477947664 78.960 > 28 36 Se 0.88888888888889 0.77777777777778 0.08477477947664 78.960 > 28 37 Se 0.00000000000000 0.00000000000000 0.24855855385669 78.960 > 37 38 Se 0.33333333333333 0.00000000000000 0.24855855385669 78.960 > 37 39 Se 0.66666666666667 0.00000000000000 0.24855855385669 78.960 > 37 40 Se 0.00000000000000 0.33333333333333 0.24855855385669 78.960 > 37 41 Se 0.33333333333333 0.33333333333333 0.24855855385669 78.960 > 37 42 Se 0.66666666666667 0.33333333333333 0.24855855385669 78.960 > 37 43 Se 0.00000000000000 0.66666666666667 0.24855855385669 78.960 > 37 44 Se 0.33333333333333 0.66666666666667 0.24855855385669 78.960 > 37 45 Se 0.66666666666667 0.66666666666667 0.24855855385669 78.960 > 37 46 Se 0.11111111111111 0.22222222222222 0.41810811280998 78.960 > 28 47 Se 0.44444444444444 0.22222222222222 0.41810811280998 78.960 > 28 48 Se 0.77777777777778 0.22222222222222 0.41810811280998 78.960 > 28 49 Se 0.11111111111111 0.55555555555556 0.41810811280998 78.960 > 28 50 Se 0.44444444444444 0.55555555555556 0.41810811280998 78.960 > 28 51 Se 0.77777777777778 0.55555555555556 0.41810811280998 78.960 > 28 52 Se 0.11111111111111 0.88888888888889 0.41810811280998 78.960 > 28 53 Se 0.44444444444444 0.88888888888889 0.41810811280998 78.960 > 28 54 Se 0.77777777777778 0.88888888888889 0.41810811280998 78.960 > 28 55 Se 0.22222222222222 0.11111111111111 0.58189188719002 78.960 > 37 56 Se 0.55555555555556 0.11111111111111 0.58189188719002 78.960 > 37 57 Se 0.88888888888889 0.11111111111111 0.58189188719002 78.960 > 37 58 Se 0.22222222222222 0.44444444444444 0.58189188719002 78.960 > 37 59 Se 0.55555555555556 0.44444444444444 0.58189188719002 78.960 > 37 60 Se 0.88888888888889 0.44444444444444 0.58189188719002 78.960 > 37 61 Se 0.22222222222222 0.77777777777778 0.58189188719002 78.960 > 37 62 Se 0.55555555555556 0.77777777777778 0.58189188719002 78.960 > 37 63 Se 0.88888888888889 0.77777777777778 0.58189188719002 78.960 > 37 64 Se 0.00000000000000 0.00000000000000 0.75144144614331 78.960 > 28 65 Se 0.33333333333333 0.00000000000000 0.75144144614331 78.960 > 28 66 Se 0.66666666666667 0.00000000000000 0.75144144614331 78.960 > 28 67 Se 0.00000000000000 0.33333333333333 0.75144144614331 78.960 > 28 68 Se 0.33333333333333 0.33333333333333 0.75144144614331 78.960 > 28 69 Se 0.66666666666667 0.33333333333333 0.75144144614331 78.960 > 28 70 Se 0.00000000000000 0.66666666666667 0.75144144614331 78.960 > 28 71 Se 0.33333333333333 0.66666666666667 0.75144144614331 78.960 > 28 72 Se 0.66666666666667 0.66666666666667 0.75144144614331 78.960 > 28 73 Se 0.11111111111111 0.22222222222222 0.91522522052336 78.960 > 37 74 Se 0.44444444444444 0.22222222222222 0.91522522052336 78.960 > 37 75 Se 0.77777777777778 0.22222222222222 0.91522522052336 78.960 > 37 76 Se 0.11111111111111 0.55555555555556 0.91522522052336 78.960 > 37 77 Se 0.44444444444444 0.55555555555556 0.91522522052336 78.960 > 37 78 Se 0.77777777777778 0.55555555555556 0.91522522052336 78.960 > 37 79 Se 0.11111111111111 0.88888888888889 0.91522522052336 78.960 > 37 80 Se 0.44444444444444 0.88888888888889 0.91522522052336 78.960 > 37 81 Se 0.77777777777778 0.88888888888889 0.91522522052336 78.960 > 37 82 Ho 0.00000000000000 0.00000000000000 0.00000000000000 164.930 > 82 83 Ho 0.33333333333333 0.00000000000000 0.00000000000000 164.930 > 82 84 Ho 0.66666666666667 0.00000000000000 0.00000000000000 164.930 > 82 85 Ho 0.00000000000000 0.33333333333333 0.00000000000000 164.930 > 82 86 Ho 0.33333333333333 0.33333333333333 0.00000000000000 164.930 > 82 87 Ho 0.66666666666667 0.33333333333333 0.00000000000000 164.930 > 82 88 Ho 0.00000000000000 0.66666666666667 0.00000000000000 164.930 > 82 89 Ho 0.33333333333333 0.66666666666667 0.00000000000000 164.930 > 82 90 Ho 0.66666666666667 0.66666666666667 0.00000000000000 164.930 > 82 91 Ho 0.22222222222222 0.11111111111111 0.33333333333333 164.930 > 82 92 Ho 0.55555555555556 0.11111111111111 0.33333333333333 164.930 > 82 93 Ho 0.88888888888889 0.11111111111111 0.33333333333333 164.930 > 82 94 Ho 0.22222222222222 0.44444444444444 0.33333333333333 164.930 > 82 95 Ho 0.55555555555556 0.44444444444444 0.33333333333333 164.930 > 82 96 Ho 0.88888888888889 0.44444444444444 0.33333333333333 164.930 > 82 97 Ho 0.22222222222222 0.77777777777778 0.33333333333333 164.930 > 82 98 Ho 0.55555555555556 0.77777777777778 0.33333333333333 164.930 > 82 99 Ho 0.88888888888889 0.77777777777778 0.33333333333333 164.930 > 82 100 Ho 0.11111111111111 0.22222222222222 0.66666666666667 164.930 > 82 101 Ho 0.44444444444444 0.22222222222222 0.66666666666667 164.930 > 82 102 Ho 0.77777777777778 0.22222222222222 0.66666666666667 164.930 > 82 103 Ho 0.11111111111111 0.55555555555556 0.66666666666667 164.930 > 82 104 Ho 0.44444444444444 0.55555555555556 0.66666666666667 164.930 > 82 105 Ho 0.77777777777778 0.55555555555556 0.66666666666667 164.930 > 82 106 Ho 0.11111111111111 0.88888888888889 0.66666666666667 164.930 > 82 107 Ho 0.44444444444444 0.88888888888889 0.66666666666667 164.930 > 82 108 Ho 0.77777777777778 0.88888888888889 0.66666666666667 164.930 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 8.2221936 0.0000000 0.0000000 0.0000000 8.2221936 0.0000000 0.0000000 0.0000000 6.3085727 -------------------------- Born effective charges -------------------------- 1 Li 1.2810014 0.0000000 0.0000000 0.0000000 1.2810014 0.0000000 0.0000000 0.0000000 1.7279062 2 Se -2.9026845 0.0000000 0.0000000 0.0000000 -2.9026845 0.0000000 0.0000000 0.0000000 -2.0310926 3 Se -2.9026845 0.0000000 0.0000000 0.0000000 -2.9026845 0.0000000 0.0000000 0.0000000 -2.0310926 4 Ho 4.5243675 0.0000000 0.0000000 0.0000000 4.5243675 0.0000000 0.0000000 0.0000000 2.3342791 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 15 15 15 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.93, Number of G-points: 317, Lambda: 0.27 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/344) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 3.514 ( 0.000 0.000 0.000) 0.000 3.514 ( 0.000 0.000 0.000) 0.000 3.995 ( 0.000 0.000 0.000) 0.000 3.995 ( 0.000 0.000 0.000) 0.000 4.657 ( 0.000 0.000 0.000) 0.000 5.073 ( 0.000 0.000 0.000) 0.000 5.548 ( 0.000 0.000 0.000) 0.000 5.548 ( 0.000 0.000 0.000) 0.000 7.637 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/344) ======================= q-point: ( 0.07 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.391 ( 16.967 9.796 4.568) 20.117 0.407 ( 17.830 10.294 1.765) 20.663 0.750 ( 32.349 18.677 4.250) 37.594 3.522 ( 0.607 0.351 0.963) 1.191 3.956 ( 1.689 0.975 -10.547) 10.726 3.993 ( -0.030 -0.017 -0.842) 0.843 4.123 ( 7.498 4.329 -0.628) 8.681 4.676 ( -2.904 -1.677 13.994) 14.390 5.061 ( -0.978 -0.565 -0.059) 1.131 5.565 ( 0.995 0.574 2.537) 2.785 7.451 ( 4.600 2.656 -51.820) 52.092 7.957 ( -14.396 -8.312 52.201) 54.784 ======================= Grid point 2 (3/344) ======================= q-point: ( 0.13 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( 17.252 9.960 3.711) 20.264 0.801 ( 17.010 9.821 0.855) 19.660 1.455 ( 29.678 17.135 1.827) 34.318 3.548 ( 1.324 0.765 1.804) 2.365 3.990 ( 0.153 0.088 -1.220) 1.233 3.992 ( 3.980 2.298 -6.101) 7.638 4.317 ( 8.894 5.135 4.742) 11.312 4.647 ( -2.725 -1.573 5.394) 6.245 5.034 ( -1.275 -0.736 -0.151) 1.480 5.602 ( 1.176 0.679 3.482) 3.738 7.318 ( -7.057 -4.075 -11.346) 13.969 7.772 ( -10.853 -6.266 6.848) 14.280 ======================= Grid point 3 (4/344) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( 15.111 8.724 -0.429) 17.454 1.178 ( 16.649 9.612 2.393) 19.373 2.067 ( 24.844 14.343 -1.203) 28.712 3.595 ( 2.279 1.316 2.444) 3.591 3.992 ( 0.427 0.246 -1.090) 1.196 4.079 ( 4.759 2.748 -1.545) 5.709 4.519 ( 4.446 2.567 9.380) 10.693 4.616 ( 1.308 0.755 1.379) 2.045 5.008 ( -0.631 -0.364 -1.801) 1.943 5.632 ( 0.399 0.231 2.433) 2.476 7.046 ( -16.437 -9.490 5.446) 19.746 7.548 ( -7.478 -4.318 -16.065) 18.239 ======================= Grid point 4 (5/344) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( 11.666 6.735 -1.775) 13.587 1.533 ( 14.420 8.326 0.927) 16.677 2.538 ( 17.966 10.373 -2.902) 20.948 3.668 ( 3.456 1.995 2.798) 4.874 4.001 ( 0.555 0.320 -0.667) 0.925 4.184 ( 4.138 2.389 3.654) 6.015 4.529 ( -1.100 -0.635 2.204) 2.544 4.746 ( 3.634 2.098 9.418) 10.311 5.018 ( 3.423 1.976 -3.844) 5.513 5.631 ( -0.854 -0.493 0.220) 1.010 6.644 ( -20.707 -11.955 5.593) 24.556 7.330 ( -6.032 -3.483 -22.892) 23.928 ======================= Grid point 5 (6/344) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( 6.929 4.000 -2.565) 8.402 1.816 ( 10.733 6.196 -0.142) 12.394 2.850 ( 11.052 6.381 -1.567) 12.857 3.765 ( 4.299 2.482 2.611) 5.609 4.011 ( 0.441 0.254 -0.150) 0.531 4.282 ( 2.708 1.563 7.564) 8.185 4.535 ( 1.195 0.690 0.363) 1.426 4.792 ( -0.206 -0.119 3.614) 3.622 5.138 ( 6.339 3.660 1.403) 7.453 5.597 ( -1.833 -1.058 -1.742) 2.741 6.191 ( -20.190 -11.657 -0.300) 23.315 7.124 ( -5.280 -3.048 -21.301) 22.156 ======================= Grid point 6 (7/344) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( 2.640 1.524 -2.107) 3.705 2.006 ( 6.448 3.723 -0.452) 7.459 3.037 ( 6.242 3.604 0.806) 7.253 3.867 ( 3.872 2.235 1.647) 4.765 4.018 ( 0.118 0.068 0.326) 0.353 4.346 ( 0.494 0.285 7.788) 7.809 4.576 ( 2.161 1.247 -0.153) 2.500 4.818 ( 2.772 1.600 -0.125) 3.203 5.245 ( 1.160 0.670 2.839) 3.139 5.547 ( -1.871 -1.080 -2.245) 3.116 5.785 ( -14.145 -8.166 -4.369) 16.907 6.958 ( -3.713 -2.144 -14.972) 15.573 ======================= Grid point 7 (8/344) ======================= q-point: ( 0.47 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( 0.480 0.277 -0.749) 0.932 2.100 ( 2.139 1.235 -0.203) 2.478 3.136 ( 2.209 1.275 0.837) 2.684 3.936 ( 1.728 0.998 0.393) 2.034 4.018 ( -0.159 -0.092 0.358) 0.402 4.364 ( -0.298 -0.172 3.091) 3.110 4.613 ( 0.941 0.543 0.077) 1.090 4.926 ( 6.252 3.609 1.029) 7.292 5.162 ( -7.407 -4.277 -1.336) 8.657 5.509 ( -0.794 -0.458 -1.010) 1.364 5.595 ( -2.467 -1.424 -1.483) 3.211 6.865 ( -1.319 -0.761 -5.374) 5.586 ======================= Grid point 16 (9/344) ======================= q-point: ( 0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.394 ( -0.000 18.723 5.057) 19.394 0.422 ( -0.000 19.758 5.061) 20.396 0.784 ( -0.000 36.205 10.139) 37.597 3.512 ( 0.000 0.239 -0.824) 0.858 3.974 ( 0.000 7.641 -13.139) 15.200 3.992 ( 0.000 0.051 -0.925) 0.926 4.036 ( 0.000 6.176 -6.018) 8.623 4.735 ( -0.000 -8.587 20.008) 21.773 5.061 ( -0.000 -1.142 0.340) 1.191 5.543 ( 0.000 0.159 -1.420) 1.429 7.239 ( 0.000 13.881 -50.613) 52.482 8.210 ( -0.000 -24.720 57.815) 62.878 ======================= Grid point 17 (10/344) ======================= q-point: ( 0.13 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.689 ( 10.337 16.431 4.067) 19.833 0.711 ( 9.535 16.611 4.140) 19.595 1.302 ( 16.008 30.282 6.143) 34.799 3.534 ( 1.909 0.500 0.253) 1.990 3.908 ( -1.022 0.508 -3.727) 3.898 4.071 ( -1.073 7.927 -5.978) 9.986 4.189 ( 12.052 3.699 -1.057) 12.651 4.693 ( -2.563 -4.724 9.083) 10.554 5.044 ( -0.824 -1.115 0.556) 1.494 5.572 ( 2.851 -0.734 0.502) 2.986 7.222 ( 3.190 -1.328 -24.475) 24.718 8.012 ( -15.920 -11.954 26.917) 33.479 ======================= Grid point 18 (11/344) ======================= q-point: ( 0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( 11.892 13.426 0.816) 17.954 1.062 ( 12.571 14.551 4.087) 19.659 1.871 ( 18.698 22.971 1.324) 29.648 3.582 ( 2.259 1.529 1.605) 3.165 3.919 ( 3.297 -1.026 -1.315) 3.694 4.119 ( -0.422 8.647 -4.462) 9.739 4.434 ( 11.900 3.682 4.649) 13.296 4.628 ( -2.691 -3.375 3.104) 5.316 5.018 ( -1.394 -0.699 -0.297) 1.588 5.607 ( 2.135 -1.827 1.411) 3.144 7.117 ( -3.135 -9.570 -8.091) 12.918 7.689 ( -17.962 -5.737 3.440) 19.167 ======================= Grid point 19 (12/344) ======================= q-point: ( 0.27 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( 10.933 9.770 -1.186) 14.710 1.421 ( 12.272 13.507 2.399) 18.406 2.354 ( 16.642 15.488 -2.000) 22.822 3.650 ( 2.734 2.565 2.384) 4.443 3.971 ( 3.039 0.401 -0.245) 3.075 4.198 ( 1.542 7.623 -0.454) 7.790 4.551 ( -1.951 -2.409 3.327) 4.548 4.690 ( 9.583 2.355 7.122) 12.170 4.989 ( -0.375 0.434 -3.369) 3.417 5.611 ( 0.772 -3.177 0.459) 3.301 6.865 ( -13.578 -12.320 3.436) 18.653 7.359 ( -12.990 -3.149 -15.747) 20.655 ======================= Grid point 20 (13/344) ======================= q-point: ( 0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( 8.098 6.017 -2.588) 10.415 1.735 ( 9.640 11.940 0.761) 15.364 2.708 ( 12.807 8.604 -2.155) 15.579 3.739 ( 3.490 3.284 2.579) 5.442 4.015 ( 0.765 2.203 -0.434) 2.372 4.308 ( 2.180 6.467 4.555) 8.205 4.523 ( 0.155 -1.030 0.962) 1.418 4.807 ( 0.160 -1.131 5.601) 5.716 5.052 ( 7.459 2.932 -1.197) 8.103 5.578 ( -0.243 -4.124 -1.009) 4.253 6.470 ( -21.669 -8.783 2.924) 23.563 7.097 ( -6.457 -4.259 -21.004) 22.383 ======================= Grid point 21 (14/344) ======================= q-point: ( 0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( 4.452 2.710 -2.827) 5.929 1.970 ( 5.703 9.871 -0.154) 11.401 2.943 ( 8.942 3.889 -0.322) 9.757 3.842 ( 3.610 3.583 2.043) 5.481 4.037 ( -0.659 2.537 -0.036) 2.621 4.401 ( -0.695 4.626 7.012) 8.429 4.546 ( 2.543 0.682 -0.466) 2.674 4.799 ( 0.442 0.065 0.111) 0.460 5.195 ( 5.720 -0.663 1.531) 5.959 5.530 ( -0.282 -2.762 -1.030) 2.962 6.038 ( -21.899 -3.119 -2.154) 22.225 6.914 ( -2.328 -4.854 -16.053) 16.931 ======================= Grid point 22 (15/344) ======================= q-point: ( 0.47 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.761 ( 1.745 0.788 -1.893) 2.693 2.113 ( 1.443 7.530 -0.216) 7.670 3.082 ( 5.111 0.763 -0.044) 5.168 3.933 ( 2.191 3.710 0.711) 4.367 4.041 ( -1.485 1.683 0.569) 2.315 4.416 ( -3.090 2.410 3.112) 5.004 4.599 ( 1.902 1.136 0.332) 2.240 4.862 ( 5.355 3.022 0.632) 6.181 5.186 ( -2.181 -7.009 -2.318) 7.697 5.531 ( 0.318 2.446 1.399) 2.836 5.715 ( -13.595 1.600 -3.040) 14.022 6.820 ( 1.065 -4.000 -6.947) 8.087 ======================= Grid point 23 (16/344) ======================= q-point: (-0.47 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( 0.525 0.039 -0.553) 0.764 2.162 ( -2.837 5.118 0.192) 5.855 3.123 ( 0.901 -1.987 -1.912) 2.901 3.977 ( -1.785 3.052 -0.343) 3.552 4.028 ( -0.800 0.543 0.007) 0.967 4.391 ( -2.778 2.901 -1.991) 4.483 4.620 ( -0.168 -0.053 -0.003) 0.176 4.976 ( -1.538 -1.389 0.435) 2.118 5.075 ( 3.771 -0.909 -0.318) 3.892 5.559 ( -4.196 4.512 0.150) 6.164 5.609 ( 0.157 3.416 1.247) 3.640 6.825 ( 4.072 -2.651 3.371) 5.914 ======================= Grid point 24 (17/344) ======================= q-point: (-0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( -0.725 -0.798 0.781) 1.332 2.117 ( -7.206 2.623 0.656) 7.697 3.067 ( -2.761 -4.111 -2.856) 5.717 3.923 ( -4.783 -0.567 -1.182) 4.959 4.034 ( -0.612 2.187 -0.811) 2.411 4.367 ( -2.700 4.125 -5.790) 7.604 4.595 ( -1.622 -1.251 -0.580) 2.129 4.862 ( -4.780 -2.704 0.738) 5.541 5.198 ( 4.918 -0.801 0.082) 4.983 5.529 ( -0.750 -0.065 1.004) 1.255 5.748 ( 6.096 12.121 3.084) 13.914 6.924 ( 6.604 -1.307 12.532) 14.226 ======================= Grid point 25 (18/344) ======================= q-point: (-0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( -4.066 -2.526 1.593) 5.045 1.975 ( -11.682 -0.127 0.714) 11.704 2.940 ( -6.258 -5.565 -0.874) 8.420 3.820 ( -5.231 -1.593 -2.141) 5.872 4.034 ( -1.603 2.068 -0.690) 2.705 4.330 ( -4.275 4.457 -6.450) 8.930 4.547 ( -1.812 -1.817 -0.309) 2.585 4.790 ( -1.941 -1.221 -1.447) 2.712 5.178 ( -3.099 -3.822 -1.459) 5.132 5.549 ( 3.016 -1.803 2.428) 4.271 6.054 ( 12.770 15.292 1.065) 19.951 7.099 ( 8.193 -0.029 18.441) 20.179 ======================= Grid point 26 (19/344) ======================= q-point: (-0.27 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( -9.281 -4.384 1.317) 10.349 1.731 ( -15.802 -2.821 0.065) 16.052 2.729 ( -12.754 -6.841 1.871) 14.593 3.713 ( -4.742 -1.222 -2.358) 5.435 4.013 ( -2.095 0.323 -0.840) 2.280 4.269 ( -5.789 4.227 -2.897) 7.731 4.514 ( -0.052 -0.859 -0.872) 1.225 4.735 ( -1.903 -2.254 -7.604) 8.156 5.071 ( -4.148 -3.109 2.014) 5.562 5.589 ( 2.901 -2.258 1.091) 3.834 6.439 ( 16.352 13.334 -2.957) 21.305 7.313 ( 8.422 1.210 19.690) 21.450 ======================= Grid point 27 (20/344) ======================= q-point: (-0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( -14.254 -5.100 0.484) 15.147 1.403 ( -18.744 -4.359 -0.913) 19.266 2.376 ( -22.313 -7.415 2.121) 23.608 3.626 ( -3.602 -0.631 -2.059) 4.196 3.968 ( -1.317 -2.547 -0.758) 2.966 4.210 ( -6.257 5.086 1.877) 8.279 4.508 ( -0.545 -0.908 -5.004) 5.115 4.623 ( -2.948 -3.909 -5.392) 7.283 5.020 ( -1.153 -0.489 2.473) 2.772 5.604 ( 1.349 -2.060 -0.848) 2.604 6.817 ( 17.445 8.884 -5.178) 20.250 7.528 ( 7.541 2.308 15.839) 17.694 ======================= Grid point 28 (21/344) ======================= q-point: (-0.13 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( -19.670 -3.892 -0.549) 20.058 1.034 ( -18.373 -3.850 -0.919) 18.795 1.867 ( -30.831 -5.954 0.541) 31.405 3.566 ( -2.361 -0.294 -1.284) 2.704 3.928 ( 0.311 -3.147 0.306) 3.177 4.167 ( -6.697 5.696 4.432) 9.846 4.370 ( -6.929 -5.424 -7.245) 11.398 4.607 ( 1.935 0.070 -0.839) 2.110 5.023 ( 0.648 0.227 0.558) 0.885 5.591 ( -0.235 -1.332 -1.604) 2.098 7.146 ( 16.143 3.667 -2.596) 16.756 7.708 ( 6.062 2.532 7.087) 9.664 ======================= Grid point 29 (22/344) ======================= q-point: (-0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.665 ( -20.404 0.000 0.000) 20.404 0.692 ( -19.999 0.000 0.000) 19.999 1.268 ( -36.119 0.000 0.000) 36.119 3.532 ( -1.300 0.000 0.000) 1.300 3.928 ( 1.526 -0.000 -0.000) 1.526 4.110 ( -5.990 0.000 0.000) 5.990 4.195 ( -7.204 0.000 0.000) 7.204 4.634 ( 1.392 -0.000 -0.000) 1.392 5.043 ( 1.358 -0.000 -0.000) 1.358 5.569 ( -0.966 0.000 0.000) 0.966 7.405 ( 12.919 -0.000 -0.000) 12.919 7.815 ( 3.770 -0.000 -0.000) 3.770 ======================= Grid point 32 (23/344) ======================= q-point: ( 0.13 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( -0.000 19.309 4.169) 19.754 0.825 ( -0.000 18.525 4.295) 19.017 1.520 ( -0.000 33.483 6.987) 34.204 3.515 ( 0.000 0.885 -1.112) 1.421 3.984 ( 0.000 0.062 -1.849) 1.850 4.048 ( 0.000 5.467 -2.749) 6.119 4.136 ( 0.000 8.628 -7.104) 11.176 4.689 ( -0.000 -5.739 6.388) 8.587 5.044 ( -0.000 -0.955 1.127) 1.477 5.540 ( 0.000 0.936 -1.994) 2.203 7.101 ( 0.000 -4.472 -15.705) 16.329 8.114 ( -0.000 -13.762 22.043) 25.986 ======================= Grid point 33 (24/344) ======================= q-point: ( 0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( 5.255 17.373 2.422) 18.312 1.065 ( 7.008 17.165 4.323) 19.038 1.915 ( 7.397 28.606 3.243) 29.724 3.552 ( 3.053 1.528 -0.091) 3.415 3.909 ( -2.812 1.346 -1.675) 3.539 4.191 ( -0.143 8.030 -4.798) 9.356 4.254 ( 13.202 3.579 -0.435) 13.685 4.637 ( -1.675 -4.908 2.784) 5.886 5.033 ( -0.951 -0.342 0.633) 1.192 5.561 ( 1.649 0.194 -1.068) 1.975 6.995 ( 0.586 -11.073 -8.186) 13.783 7.936 ( -13.635 -8.671 10.552) 19.299 ======================= Grid point 34 (25/344) ======================= q-point: ( 0.27 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( 6.615 12.753 0.400) 14.372 1.393 ( 9.919 16.758 3.429) 19.773 2.300 ( 9.399 20.281 -0.920) 22.372 3.633 ( 3.463 2.723 1.641) 4.701 3.924 ( 2.870 1.922 -0.943) 3.581 4.253 ( 0.357 7.959 -3.138) 8.563 4.519 ( 13.646 1.551 4.674) 14.508 4.571 ( -1.474 -3.490 0.483) 3.820 5.007 ( -1.976 0.333 -1.508) 2.508 5.573 ( 0.511 -1.477 -0.173) 1.573 6.840 ( -1.803 -14.676 -3.822) 15.272 7.604 ( -19.984 -3.953 -1.158) 20.404 ======================= Grid point 35 (26/344) ======================= q-point: ( 0.33 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( 6.294 8.351 -1.667) 10.590 1.722 ( 8.942 15.815 2.153) 18.295 2.605 ( 9.462 11.605 -2.014) 15.108 3.726 ( 3.193 3.426 2.694) 5.402 4.006 ( 3.447 3.147 -1.684) 4.962 4.346 ( 2.501 7.601 0.524) 8.019 4.521 ( -1.036 -1.691 0.915) 2.184 4.753 ( 9.307 -1.293 6.729) 11.557 4.981 ( 0.622 1.489 -4.728) 4.995 5.550 ( -0.845 -2.226 0.231) 2.393 6.626 ( -6.918 -13.253 -0.451) 14.957 7.216 ( -19.282 -1.954 -11.292) 22.431 ======================= Grid point 36 (27/344) ======================= q-point: ( 0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( 4.547 4.398 -2.720) 6.886 1.997 ( 5.623 14.474 0.840) 15.551 2.833 ( 8.723 5.340 -0.333) 10.233 3.825 ( 3.496 3.540 3.001) 5.810 4.068 ( 0.864 3.627 -2.053) 4.256 4.478 ( 3.109 7.193 3.474) 8.572 4.508 ( 0.128 -0.235 0.117) 0.292 4.804 ( -0.733 -1.061 1.594) 2.050 5.059 ( 7.643 -2.058 -3.155) 8.520 5.523 ( -0.598 0.093 1.435) 1.558 6.343 ( -15.823 -6.101 0.995) 16.988 6.889 ( -9.730 -3.957 -14.942) 18.265 ======================= Grid point 37 (28/344) ======================= q-point: ( 0.47 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( 2.534 1.816 -2.439) 3.959 2.188 ( 1.415 12.518 0.221) 12.600 2.995 ( 6.394 1.447 0.520) 6.577 3.928 ( 3.325 3.693 2.432) 5.532 4.091 ( -1.348 2.916 -1.081) 3.390 4.505 ( -1.787 2.147 -1.092) 2.999 4.585 ( 1.440 3.616 3.580) 5.288 4.819 ( 2.806 2.396 -0.136) 3.692 5.091 ( 3.177 -7.251 -5.207) 9.476 5.558 ( 1.053 4.096 2.962) 5.163 6.015 ( -19.253 1.172 -0.854) 19.307 6.725 ( 0.217 -5.787 -8.281) 10.106 ======================= Grid point 38 (29/344) ======================= q-point: ( 0.53 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( 1.170 0.647 -1.448) 1.971 2.287 ( -2.832 10.262 0.484) 10.657 3.069 ( 2.557 -1.573 -1.164) 3.219 4.016 ( 1.921 3.897 0.828) 4.423 4.067 ( -3.439 0.835 -0.632) 3.595 4.483 ( -3.533 4.765 -2.926) 6.615 4.622 ( -0.232 0.541 1.473) 1.586 4.936 ( 6.100 2.874 1.839) 6.989 5.020 ( -0.299 -6.010 -4.288) 7.389 5.640 ( 1.734 5.824 2.098) 6.429 5.758 ( -13.689 4.444 -0.715) 14.410 6.711 ( 5.505 -5.289 1.274) 7.740 ======================= Grid point 39 (30/344) ======================= q-point: (-0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( 0.249 -0.045 -0.352) 0.433 2.294 ( -7.225 7.852 1.140) 10.731 3.045 ( -0.966 -3.918 -3.304) 5.215 3.986 ( -4.357 -2.287 -1.743) 5.220 4.075 ( -0.475 5.090 -0.230) 5.117 4.465 ( -3.922 6.935 -4.145) 8.981 4.603 ( -1.408 -1.490 -0.642) 2.149 4.914 ( -3.581 -2.898 0.175) 4.610 5.095 ( 6.677 -0.081 2.285) 7.057 5.601 ( -6.800 1.408 -0.740) 6.984 5.788 ( 3.906 11.538 1.749) 12.306 6.805 ( 8.767 -4.263 9.289) 13.466 ======================= Grid point 40 (31/344) ======================= q-point: (-0.33 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.761 ( -1.681 -1.097 0.489) 2.066 2.201 ( -11.964 4.850 1.412) 12.987 2.954 ( -2.978 -5.005 -3.073) 6.585 3.877 ( -4.638 -2.631 -2.091) 5.727 4.100 ( -2.221 4.941 -0.673) 5.459 4.450 ( -4.668 7.504 -4.701) 10.010 4.554 ( -1.702 -2.347 -0.655) 2.972 4.830 ( -4.322 -1.489 1.109) 4.704 5.152 ( 1.345 -3.726 0.545) 3.999 5.531 ( -2.058 -0.273 1.026) 2.316 6.024 ( 8.787 13.680 0.052) 16.259 6.978 ( 11.040 -2.909 13.886) 17.976 ======================= Grid point 41 (32/344) ======================= q-point: (-0.27 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( -5.779 -2.165 0.615) 6.202 1.997 ( -16.361 1.383 0.803) 16.439 2.830 ( -5.973 -4.576 -0.598) 7.548 3.773 ( -4.541 -1.596 -1.653) 5.089 4.085 ( -4.308 3.409 -0.821) 5.555 4.414 ( -5.765 5.706 -2.170) 8.397 4.510 ( -1.008 -0.749 -0.121) 1.262 4.739 ( -4.362 -2.499 -3.430) 6.086 5.098 ( -2.256 -3.629 0.666) 4.325 5.529 ( 1.705 -1.545 1.573) 2.787 6.320 ( 11.918 11.171 -1.700) 16.424 7.201 ( 11.810 -1.159 13.540) 18.004 ======================= Grid point 42 (33/344) ======================= q-point: (-0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( -10.952 -2.047 0.213) 11.144 1.699 ( -19.354 -0.707 0.044) 19.367 2.637 ( -13.657 -3.030 0.819) 14.013 3.684 ( -4.338 -0.536 -0.945) 4.472 4.014 ( -5.570 0.468 -0.844) 5.653 4.368 ( -5.210 4.257 2.007) 7.021 4.507 ( -0.722 1.730 -0.393) 1.916 4.609 ( -3.879 -5.213 -5.943) 8.805 5.045 ( -1.691 -1.019 1.352) 2.392 5.553 ( 2.250 -1.379 0.365) 2.664 6.613 ( 14.168 5.668 -2.045) 15.397 7.428 ( 10.872 0.232 8.296) 13.678 ======================= Grid point 43 (34/344) ======================= q-point: (-0.13 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( -15.319 0.000 0.000) 15.319 1.357 ( -20.674 0.000 0.000) 20.674 2.308 ( -23.958 0.000 0.000) 23.958 3.613 ( -3.578 0.000 0.000) 3.578 3.935 ( -3.007 0.000 0.000) 3.007 4.317 ( -5.431 0.000 0.000) 5.431 4.431 ( -6.471 0.000 0.000) 6.471 4.570 ( 2.039 -0.000 -0.000) 2.039 5.025 ( -0.651 0.000 0.000) 0.651 5.575 ( 1.096 -0.000 -0.000) 1.096 6.888 ( 16.018 -0.000 -0.000) 16.018 7.610 ( 8.660 -0.000 -0.000) 8.660 ======================= Grid point 48 (35/344) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( -0.000 15.991 2.753) 16.226 1.191 ( -0.000 19.128 3.063) 19.371 2.149 ( -0.000 27.636 2.353) 27.736 3.535 ( 0.000 2.034 -0.905) 2.226 3.973 ( 0.000 0.394 -2.125) 2.161 4.131 ( -0.000 3.086 1.668) 3.508 4.260 ( 0.000 8.945 -5.930) 10.732 4.610 ( -0.000 -4.766 1.168) 4.907 5.045 ( -0.000 0.429 0.390) 0.580 5.557 ( 0.000 2.146 -1.665) 2.716 6.845 ( 0.000 -14.797 -3.940) 15.313 7.999 ( -0.000 -8.681 7.575) 11.521 ======================= Grid point 49 (36/344) ======================= q-point: ( 0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( 2.209 13.324 1.216) 13.561 1.436 ( 6.135 17.976 2.726) 19.189 2.413 ( 1.996 21.337 -0.811) 21.445 3.596 ( 4.209 3.083 0.094) 5.218 3.929 ( -2.013 1.566 -1.057) 2.761 4.273 ( 7.947 0.966 0.711) 8.037 4.348 ( 4.747 7.867 -2.261) 9.462 4.564 ( -0.931 -3.166 0.472) 3.333 5.040 ( -1.423 1.113 -1.111) 2.121 5.572 ( -0.324 1.733 -0.817) 1.943 6.681 ( 0.301 -17.238 -2.572) 17.431 7.838 ( -12.091 -5.943 1.996) 13.620 ======================= Grid point 50 (37/344) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( 2.973 9.339 -0.825) 9.836 1.742 ( 8.711 16.825 2.439) 19.102 2.613 ( 3.154 13.030 -2.264) 13.596 3.711 ( 4.226 3.990 2.013) 6.151 3.956 ( 3.494 1.825 -2.123) 4.477 4.373 ( 2.663 5.019 -0.579) 5.711 4.509 ( 3.216 -2.547 -0.764) 4.173 4.577 ( 8.306 2.567 3.792) 9.485 5.010 ( -2.710 1.683 -3.269) 4.568 5.568 ( -1.588 1.003 0.736) 2.017 6.512 ( 0.349 -16.303 -3.057) 16.591 7.519 ( -19.819 -3.150 -3.493) 20.369 ======================= Grid point 51 (38/344) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( 2.926 5.415 -2.311) 6.575 2.047 ( 7.330 16.070 1.718) 17.746 2.769 ( 5.261 6.322 -0.616) 8.248 3.817 ( 3.008 3.696 3.738) 6.057 4.040 ( 4.790 2.145 -3.977) 6.585 4.453 ( 1.883 0.948 0.469) 2.160 4.541 ( 2.795 4.131 0.397) 5.003 4.747 ( 7.086 -1.299 2.549) 7.642 4.971 ( -1.343 1.338 -5.476) 5.795 5.560 ( -1.324 2.208 2.529) 3.609 6.365 ( -0.230 -12.244 -2.136) 12.431 7.119 ( -22.179 -1.511 -7.619) 23.500 ======================= Grid point 52 (39/344) ======================= q-point: ( 0.47 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( 2.356 2.661 -2.524) 4.359 2.291 ( 3.142 14.935 0.771) 15.281 2.908 ( 6.178 2.030 1.326) 6.637 3.916 ( 3.276 3.223 4.285) 6.283 4.112 ( 2.002 2.769 -3.234) 4.705 4.475 ( 2.313 -1.178 -2.014) 3.285 4.650 ( 1.746 5.475 3.246) 6.600 4.809 ( 1.770 1.370 0.057) 2.239 4.948 ( 1.793 -3.469 -7.659) 8.597 5.595 ( 0.543 4.226 2.941) 5.177 6.243 ( -5.363 -5.005 1.732) 7.537 6.744 ( -14.838 -2.545 -8.717) 17.396 ======================= Grid point 53 (40/344) ======================= q-point: ( 0.53 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( 1.563 1.266 -1.824) 2.715 2.442 ( -1.387 13.053 0.698) 13.145 3.004 ( 3.707 -0.957 0.690) 3.890 4.014 ( 2.702 2.993 2.887) 4.959 4.125 ( -1.883 1.613 -1.181) 2.746 4.504 ( 2.671 0.537 -4.291) 5.083 4.692 ( -3.322 4.169 3.284) 6.261 4.876 ( 3.970 0.705 -1.505) 4.304 4.920 ( 3.199 -2.863 -5.373) 6.878 5.667 ( 1.814 4.568 1.044) 5.025 6.064 ( -15.524 3.571 2.096) 16.066 6.578 ( 1.941 -5.929 -1.878) 6.514 ======================= Grid point 54 (41/344) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( 0.753 0.573 -0.902) 1.307 2.502 ( -5.738 10.882 1.507) 12.394 3.010 ( -0.150 -3.474 -1.732) 3.885 4.018 ( -3.467 -2.018 -2.252) 4.601 4.134 ( 0.073 4.691 2.083) 5.133 4.529 ( 0.919 1.231 -5.120) 5.345 4.658 ( -5.187 3.643 0.418) 6.352 4.898 ( 2.367 -2.705 -2.051) 4.138 5.003 ( 5.494 0.911 2.116) 5.958 5.722 ( -2.552 2.404 -0.904) 3.621 5.898 ( -7.459 8.755 1.047) 11.549 6.630 ( 8.959 -5.766 5.719) 12.092 ======================= Grid point 55 (42/344) ======================= q-point: (-0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( -0.348 -0.060 -0.160) 0.388 2.463 ( -10.877 7.776 2.072) 13.530 2.937 ( -2.053 -4.653 -3.167) 5.991 3.914 ( -4.227 -2.773 -2.228) 5.524 4.182 ( -1.220 5.147 0.882) 5.363 4.518 ( -0.355 -1.148 -3.992) 4.169 4.615 ( -4.984 5.206 -0.657) 7.237 4.884 ( -2.017 -0.852 0.792) 2.328 5.084 ( 3.396 -2.337 2.115) 4.633 5.618 ( -7.465 0.777 -0.340) 7.513 6.011 ( 6.113 9.796 -0.746) 11.571 6.785 ( 12.118 -4.233 8.658) 15.483 ======================= Grid point 56 (43/344) ======================= q-point: (-0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( -2.688 -0.529 0.143) 2.743 2.295 ( -15.906 2.941 1.036) 16.209 2.855 ( -2.279 -2.782 -1.552) 3.917 3.821 ( -3.754 -1.366 -1.091) 4.141 4.188 ( -3.478 3.356 0.090) 4.835 4.478 ( -1.227 -1.576 -1.661) 2.598 4.581 ( -4.333 4.324 -0.678) 6.159 4.812 ( -6.125 -0.928 0.293) 6.202 5.086 ( -0.050 -2.659 0.534) 2.713 5.533 ( -2.916 -0.103 0.466) 2.955 6.222 ( 9.550 6.149 -1.026) 11.405 7.003 ( 13.843 -1.833 6.467) 15.388 ======================= Grid point 57 (44/344) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( -6.621 0.000 0.000) 6.621 2.017 ( -18.515 0.000 0.000) 18.515 2.780 ( -5.647 0.000 0.000) 5.647 3.749 ( -4.024 0.000 0.000) 4.024 4.123 ( -6.076 0.000 0.000) 6.076 4.442 ( -2.047 0.000 0.000) 2.047 4.551 ( -1.841 0.000 0.000) 1.841 4.673 ( -8.552 0.000 0.000) 8.552 5.063 ( -0.994 0.000 0.000) 0.994 5.518 ( 0.878 -0.000 -0.000) 0.878 6.426 ( 11.463 -0.000 -0.000) 11.463 7.237 ( 13.346 -0.000 -0.000) 13.346 ======================= Grid point 64 (45/344) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( 0.000 11.734 0.327) 11.739 1.560 ( -0.000 16.893 1.862) 16.995 2.588 ( 0.000 17.296 -2.468) 17.471 3.585 ( 0.000 3.675 -0.439) 3.701 3.975 ( 0.000 1.195 -1.338) 1.794 4.167 ( -0.000 -1.707 3.140) 3.574 4.406 ( 0.000 8.874 -1.931) 9.081 4.550 ( -0.000 -0.726 0.059) 0.728 5.062 ( 0.000 1.849 -1.895) 2.647 5.598 ( 0.000 2.985 -0.987) 3.144 6.494 ( 0.000 -18.810 -1.564) 18.875 7.886 ( -0.000 -6.135 0.620) 6.166 ======================= Grid point 65 (46/344) ======================= q-point: ( 0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( 0.507 8.350 -1.221) 8.454 1.775 ( 6.296 15.166 1.498) 16.489 2.706 ( -0.554 10.639 -3.455) 11.200 3.672 ( 5.078 4.626 0.209) 6.872 3.949 ( -1.879 0.808 -0.257) 2.061 4.252 ( 9.655 -3.532 1.447) 10.382 4.468 ( 0.104 2.357 -0.488) 2.409 4.586 ( 1.209 7.957 1.283) 8.150 5.059 ( -1.814 2.325 -3.099) 4.278 5.614 ( -1.229 2.700 0.034) 2.967 6.319 ( 1.310 -17.617 -2.509) 17.843 7.735 ( -10.958 -4.845 -1.892) 12.130 ======================= Grid point 66 (47/344) ======================= q-point: ( 0.40 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( 1.019 4.767 -2.483) 5.471 2.058 ( 9.480 14.082 1.432) 17.036 2.772 ( 1.070 5.137 -1.795) 5.546 3.812 ( 4.621 4.899 2.434) 7.161 3.955 ( 3.187 -0.132 -2.038) 3.786 4.394 ( 10.091 -3.004 0.689) 10.551 4.466 ( 0.186 -0.831 -1.422) 1.658 4.718 ( 2.084 9.425 1.870) 9.832 5.026 ( -3.378 2.547 -3.987) 5.813 5.617 ( -1.505 2.736 1.895) 3.653 6.193 ( 3.260 -13.818 -3.213) 14.556 7.433 ( -18.744 -3.045 -4.040) 19.414 ======================= Grid point 67 (48/344) ======================= q-point: ( 0.47 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( 1.638 2.379 -2.676) 3.937 2.347 ( 7.812 13.632 0.793) 15.732 2.843 ( 3.990 1.360 0.969) 4.325 3.917 ( 2.222 3.089 5.372) 6.583 4.044 ( 6.726 1.841 -4.099) 8.089 4.439 ( -0.212 -1.128 -1.194) 1.656 4.544 ( 10.276 -4.094 -1.105) 11.117 4.822 ( 0.366 7.527 -0.008) 7.536 4.968 ( -4.526 2.052 -4.484) 6.693 5.638 ( -0.279 3.040 2.140) 3.728 6.149 ( 5.300 -8.503 -0.516) 10.033 7.047 ( -22.215 -1.386 -5.012) 22.815 ======================= Grid point 68 (49/344) ======================= q-point: ( 0.53 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( 1.815 1.243 -1.963) 2.948 2.565 ( 2.666 12.685 0.062) 12.962 2.928 ( 4.756 -1.289 2.168) 5.383 4.008 ( 3.138 2.822 5.370) 6.830 4.137 ( 2.229 2.018 -2.423) 3.861 4.432 ( 2.359 -1.192 -3.038) 4.027 4.655 ( 8.903 -4.762 -1.320) 10.183 4.874 ( -4.666 4.577 -4.129) 7.731 4.901 ( -0.256 3.123 -0.970) 3.280 5.676 ( 1.249 2.319 0.109) 2.636 6.192 ( 4.159 -2.252 4.451) 6.495 6.662 ( -18.886 -1.350 -4.626) 19.491 ======================= Grid point 69 (50/344) ======================= q-point: ( 0.60 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( 1.360 0.689 -1.018) 1.833 2.683 ( -2.115 10.965 0.742) 11.192 2.965 ( 1.453 -3.644 0.479) 3.953 4.061 ( -3.052 0.612 0.048) 3.113 4.162 ( 1.753 2.113 2.426) 3.664 4.466 ( 3.448 -1.295 -4.207) 5.591 4.760 ( 7.866 -2.456 1.152) 8.320 4.799 ( -4.639 3.583 -5.038) 7.729 4.956 ( 2.093 1.867 0.722) 2.896 5.728 ( 2.528 1.899 -0.957) 3.303 6.177 ( -12.760 5.725 2.946) 14.292 6.462 ( 3.464 -5.823 0.580) 6.800 ======================= Grid point 70 (51/344) ======================= q-point: (-0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.771 ( 0.518 0.238 -0.304) 0.646 2.706 ( -7.471 7.984 1.851) 11.090 2.913 ( -1.467 -4.904 -1.757) 5.413 3.965 ( -5.473 -1.333 -1.310) 5.783 4.231 ( 1.072 2.983 1.960) 3.727 4.476 ( 1.482 -1.955 -2.897) 3.796 4.742 ( -4.904 3.473 -0.770) 6.059 4.864 ( 4.205 -0.441 -0.378) 4.245 5.013 ( 3.737 -0.695 1.285) 4.012 5.744 ( -4.151 0.695 -0.477) 4.236 6.044 ( -4.543 4.837 -0.343) 6.645 6.572 ( 11.218 -3.222 3.553) 12.201 ======================= Grid point 71 (52/344) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.771 ( -0.667 0.000 0.000) 0.667 2.567 ( -13.672 0.000 0.000) 13.672 2.862 ( -1.097 0.000 0.000) 1.097 3.875 ( -4.111 0.000 0.000) 4.111 4.248 ( -1.375 0.000 0.000) 1.375 4.473 ( 0.124 -0.000 -0.000) 0.124 4.679 ( -4.756 0.000 0.000) 4.756 4.881 ( -1.727 0.000 0.000) 1.727 5.061 ( 1.835 -0.000 -0.000) 1.835 5.625 ( -7.689 0.000 0.000) 7.689 6.110 ( 6.810 -0.000 -0.000) 6.810 6.771 ( 13.446 -0.000 -0.000) 13.446 ======================= Grid point 80 (53/344) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( 0.000 5.766 -2.514) 6.290 1.853 ( -0.000 12.287 0.685) 12.306 2.778 ( 0.000 5.511 -4.458) 7.088 3.673 ( -0.000 5.486 0.252) 5.491 3.999 ( 0.000 1.693 -0.251) 1.711 4.112 ( -0.000 -5.493 3.049) 6.283 4.478 ( 0.000 0.061 -0.872) 0.874 4.684 ( -0.000 12.390 2.363) 12.614 5.087 ( 0.000 2.661 -3.445) 4.353 5.652 ( 0.000 2.894 -0.421) 2.924 6.130 ( 0.000 -16.680 -2.482) 16.864 7.770 ( 0.000 -5.229 -2.318) 5.720 ======================= Grid point 81 (54/344) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( -0.095 2.701 -3.315) 4.278 2.028 ( 7.620 10.170 0.465) 12.717 2.792 ( -0.075 1.477 -3.205) 3.530 3.775 ( 5.003 5.690 0.274) 7.581 3.956 ( -2.918 -0.389 1.660) 3.380 4.183 ( 9.492 -3.842 0.711) 10.265 4.467 ( -0.539 -0.569 -1.299) 1.517 4.818 ( 0.023 12.121 2.610) 12.399 5.085 ( -1.955 2.728 -3.576) 4.905 5.668 ( -0.948 2.399 0.584) 2.645 5.996 ( 2.804 -13.175 -3.014) 13.803 7.628 ( -9.945 -4.321 -3.051) 11.264 ======================= Grid point 82 (55/344) ======================= q-point: ( 0.47 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( 0.947 0.969 -2.993) 3.285 2.290 ( 11.747 9.158 0.423) 14.901 2.802 ( 1.899 -0.482 -0.712) 2.085 3.931 ( 7.199 3.795 -2.003) 8.381 3.940 ( 0.117 1.252 4.627) 4.795 4.312 ( 10.430 -4.486 -1.287) 11.427 4.442 ( -1.028 -0.738 -1.675) 2.100 4.916 ( -1.417 8.835 1.092) 9.014 5.050 ( -3.774 2.593 -3.293) 5.640 5.674 ( -0.835 1.191 1.100) 1.824 5.963 ( 6.430 -7.577 -1.547) 10.057 7.351 ( -17.297 -2.620 -3.228) 17.790 ======================= Grid point 83 (56/344) ======================= q-point: ( 0.53 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( 1.944 0.506 -1.914) 2.775 2.567 ( 9.979 8.676 -0.451) 13.231 2.844 ( 3.955 -1.786 1.653) 4.644 3.985 ( 3.930 0.263 3.400) 5.203 4.089 ( 5.232 4.817 -0.201) 7.115 4.405 ( -0.162 -1.714 -0.487) 1.789 4.431 ( 9.222 -4.473 -4.163) 11.063 4.953 ( -1.963 4.195 0.177) 4.635 4.989 ( -4.996 3.292 -2.848) 6.627 5.673 ( 0.256 -0.089 -0.293) 0.399 6.049 ( 9.039 -2.584 1.791) 9.570 6.997 ( -21.239 -0.941 -2.599) 21.418 ======================= Grid point 84 (57/344) ======================= q-point: ( 0.60 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( 2.048 0.328 -0.770) 2.213 2.764 ( 4.286 8.001 -1.093) 9.143 2.890 ( 3.219 -4.021 2.021) 5.533 4.090 ( 5.073 1.640 3.873) 6.589 4.152 ( -1.288 0.814 -1.461) 2.111 4.396 ( 1.693 -0.524 -1.679) 2.442 4.552 ( 11.207 -2.938 -2.193) 11.792 4.904 ( -4.717 1.318 -1.190) 5.040 4.973 ( -1.350 2.399 -0.141) 2.757 5.691 ( 2.259 0.138 -0.612) 2.345 6.203 ( 9.527 -0.095 2.700) 9.903 6.623 ( -21.408 -0.485 -1.621) 21.475 ======================= Grid point 85 (58/344) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( 1.388 -0.000 -0.000) 1.388 2.854 ( -2.935 0.000 0.000) 2.935 2.872 ( 1.510 -0.000 -0.000) 1.510 4.062 ( -6.551 0.000 0.000) 6.551 4.204 ( 4.439 -0.000 -0.000) 4.439 4.427 ( 2.400 -0.000 -0.000) 2.400 4.728 ( 10.838 -0.000 -0.000) 10.838 4.835 ( -4.512 0.000 0.000) 4.512 4.975 ( 0.710 -0.000 -0.000) 0.710 5.740 ( 3.021 -0.000 -0.000) 3.021 6.275 ( -18.197 0.000 0.000) 18.197 6.380 ( 10.431 -0.000 -0.000) 10.431 ======================= Grid point 96 (59/344) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( 0.000 0.315 -3.860) 3.872 2.039 ( 0.000 6.836 -0.044) 6.836 2.777 ( 0.000 -1.692 -3.074) 3.509 3.790 ( -0.000 5.791 0.750) 5.839 4.028 ( -0.000 1.138 0.208) 1.157 4.031 ( -0.000 -4.152 2.380) 4.785 4.459 ( 0.000 -0.871 -1.424) 1.669 4.946 ( -0.000 11.255 2.785) 11.595 5.115 ( 0.000 2.612 -3.027) 3.998 5.698 ( 0.000 1.968 -0.112) 1.972 5.843 ( 0.000 -10.779 -2.498) 11.065 7.658 ( 0.000 -4.232 -2.724) 5.033 ======================= Grid point 97 (60/344) ======================= q-point: ( 0.47 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( 0.520 -0.604 -2.980) 3.084 2.172 ( 9.097 4.808 -0.046) 10.289 2.757 ( 1.310 -2.245 -1.601) 3.053 3.872 ( 3.074 3.451 -0.369) 4.636 3.977 ( -0.707 1.394 3.576) 3.903 4.121 ( 7.254 -2.638 -1.056) 7.791 4.442 ( -0.449 -0.767 -1.259) 1.541 5.030 ( -1.814 7.022 1.219) 7.354 5.115 ( -2.078 2.750 -1.881) 3.927 5.695 ( -1.249 -0.747 0.117) 1.460 5.799 ( 5.023 -4.665 -1.483) 7.014 7.536 ( -9.079 -2.883 -2.211) 9.779 ======================= Grid point 98 (61/344) ======================= q-point: ( 0.53 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( 1.775 -0.220 -1.365) 2.250 2.412 ( 13.893 3.217 -0.059) 14.261 2.774 ( 3.060 -1.247 -0.068) 3.305 3.925 ( 2.874 -0.175 -0.136) 2.882 4.069 ( 4.274 5.162 3.549) 7.584 4.211 ( 8.665 -4.346 -2.730) 10.071 4.420 ( -1.149 -0.404 -0.834) 1.476 5.033 ( -3.127 2.323 0.119) 3.897 5.083 ( -3.950 2.302 -1.104) 4.703 5.667 ( -0.468 -1.194 -0.242) 1.305 5.887 ( 8.240 -0.933 0.276) 8.297 7.297 ( -16.191 -1.100 -1.250) 16.276 ======================= Grid point 99 (62/344) ======================= q-point: (-0.40 -0.60 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( 2.343 -0.000 -0.000) 2.343 2.656 ( 12.129 -0.000 -0.000) 12.129 2.824 ( 3.195 -0.000 -0.000) 3.195 3.995 ( 5.780 -0.000 -0.000) 5.780 4.163 ( 2.000 -0.000 -0.000) 2.000 4.343 ( 10.820 -0.000 -0.000) 10.820 4.393 ( -1.327 0.000 0.000) 1.327 4.980 ( -4.118 0.000 0.000) 4.118 5.029 ( -3.482 0.000 0.000) 3.482 5.663 ( 0.824 -0.000 -0.000) 0.824 6.038 ( 9.904 -0.000 -0.000) 9.904 6.978 ( -20.714 0.000 0.000) 20.714 ======================= Grid point 113 (63/344) ======================= q-point: ( 0.47 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( 0.000 -0.906 -1.880) 2.087 2.122 ( 0.000 2.105 -0.112) 2.108 2.718 ( 0.000 -1.870 -1.009) 2.124 3.883 ( -0.000 2.792 0.456) 2.829 3.994 ( -0.000 -1.102 0.892) 1.418 4.041 ( -0.000 0.109 0.075) 0.133 4.436 ( 0.000 -0.507 -0.710) 0.872 5.093 ( 0.000 2.379 -0.331) 2.402 5.162 ( -0.000 3.112 0.239) 3.121 5.691 ( 0.000 -3.636 -0.971) 3.763 5.723 ( 0.000 0.674 -0.012) 0.674 7.583 ( 0.000 -1.749 -1.193) 2.118 ======================= Grid point 114 (64/344) ======================= q-point: (-0.47 -0.53 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( 1.069 -0.000 -0.000) 1.069 2.218 ( 9.717 -0.000 -0.000) 9.717 2.723 ( 1.955 -0.000 -0.000) 1.955 3.898 ( 0.449 -0.000 -0.000) 0.449 4.045 ( 5.971 -0.000 -0.000) 5.971 4.061 ( 2.306 -0.000 -0.000) 2.306 4.429 ( -0.394 0.000 0.000) 0.394 5.087 ( -1.820 0.000 0.000) 1.820 5.154 ( -2.871 0.000 0.000) 2.871 5.667 ( -0.469 0.000 0.000) 0.469 5.770 ( 5.018 -0.000 -0.000) 5.018 7.499 ( -8.709 0.000 0.000) 8.709 ======================= Grid point 245 (65/344) ======================= q-point: ( 0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.203 ( -0.000 0.000 19.163) 19.163 0.203 ( -0.000 0.000 19.163) 19.163 0.351 ( -0.000 0.000 33.241) 33.241 3.514 ( -0.000 0.000 0.025) 0.025 3.514 ( -0.000 0.000 0.025) 0.025 3.986 ( 0.000 -0.000 -1.753) 1.753 3.986 ( 0.000 -0.000 -1.753) 1.753 5.052 ( 0.000 -0.000 -3.905) 3.905 5.554 ( -0.000 0.000 1.212) 1.212 5.554 ( -0.000 0.000 1.212) 1.212 6.016 ( -0.000 0.000 1.514) 1.514 9.443 ( -0.000 0.000 0.319) 0.319 ======================= Grid point 246 (66/344) ======================= q-point: ( 0.13 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.461 ( 14.629 8.446 8.825) 19.058 0.477 ( 13.998 8.082 11.090) 19.603 0.859 ( 26.544 15.325 15.227) 34.225 3.532 ( 1.035 0.597 0.841) 1.461 3.810 ( 8.940 5.161 -13.922) 17.332 3.976 ( -0.034 -0.020 -2.313) 2.314 4.090 ( 10.058 5.807 -3.347) 12.087 4.868 ( -12.229 -7.060 13.710) 19.682 5.077 ( -3.034 -1.752 5.358) 6.402 5.595 ( 1.624 0.938 3.141) 3.658 6.928 ( 24.781 14.307 -40.201) 49.345 8.509 ( -38.187 -22.047 43.739) 62.108 ======================= Grid point 247 (67/344) ======================= q-point: ( 0.20 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( 15.402 8.893 3.555) 18.137 0.843 ( 15.683 9.054 6.696) 19.307 1.496 ( 26.568 15.339 5.637) 31.192 3.566 ( 1.700 0.982 1.578) 2.519 3.927 ( 6.438 3.717 -5.901) 9.491 3.971 ( 0.352 0.203 -2.389) 2.423 4.340 ( 12.206 7.047 0.296) 14.098 4.718 ( -6.128 -3.538 6.680) 9.731 5.039 ( -2.007 -1.159 1.350) 2.682 5.638 ( 0.991 0.572 3.276) 3.470 7.113 ( 5.051 2.916 -22.696) 23.433 7.939 ( -26.332 -15.203 19.948) 36.365 ======================= Grid point 248 (68/344) ======================= q-point: ( 0.27 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( 14.022 8.096 0.056) 16.191 1.211 ( 15.466 8.929 3.807) 18.260 2.060 ( 22.977 13.266 -0.142) 26.532 3.620 ( 2.560 1.478 2.188) 3.678 3.976 ( 0.780 0.451 -2.043) 2.233 4.069 ( 7.099 4.098 -0.250) 8.201 4.614 ( 0.948 0.547 8.413) 8.484 4.625 ( 6.360 3.672 0.341) 7.352 4.990 ( -2.275 -1.314 -1.407) 2.980 5.654 ( -0.411 -0.237 1.791) 1.853 7.047 ( -6.635 -3.831 -6.825) 10.261 7.435 ( -20.784 -11.999 -3.661) 24.277 ======================= Grid point 249 (69/344) ======================= q-point: ( 0.33 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( 11.055 6.382 -2.478) 13.003 1.546 ( 13.554 7.826 1.606) 15.733 2.509 ( 17.687 10.211 -2.549) 20.581 3.696 ( 3.546 2.047 2.502) 4.799 3.990 ( 0.979 0.565 -1.368) 1.774 4.228 ( 6.187 3.572 4.724) 8.565 4.553 ( -2.181 -1.259 2.215) 3.354 4.839 ( 1.750 1.011 7.641) 7.904 4.977 ( 5.781 3.338 -3.373) 7.479 5.631 ( -1.774 -1.024 -0.220) 2.060 6.707 ( -23.196 -13.392 6.244) 27.503 7.084 ( -6.270 -3.620 -23.607) 24.692 ======================= Grid point 250 (70/344) ======================= q-point: ( 0.40 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( 6.985 4.033 -3.610) 8.837 1.816 ( 10.298 5.945 0.258) 11.894 2.831 ( 11.991 6.923 -2.006) 13.991 3.791 ( 4.041 2.333 2.133) 5.130 4.008 ( 0.856 0.494 -0.429) 1.077 4.365 ( 3.706 2.139 8.265) 9.307 4.537 ( 0.341 0.197 0.154) 0.423 4.809 ( -1.840 -1.063 -0.647) 2.221 5.166 ( 7.506 4.333 3.817) 9.470 5.581 ( -2.318 -1.338 -1.421) 3.031 6.180 ( -22.999 -13.279 -2.146) 26.644 6.916 ( -2.925 -1.689 -17.546) 17.868 ======================= Grid point 251 (71/344) ======================= q-point: ( 0.47 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( 3.310 1.911 -3.144) 4.949 2.003 ( 6.398 3.694 -0.168) 7.389 3.033 ( 6.809 3.931 -1.588) 8.022 3.880 ( 3.311 1.912 0.885) 3.924 4.022 ( 0.384 0.221 0.583) 0.732 4.418 ( -1.444 -0.834 5.631) 5.873 4.572 ( 2.608 1.506 -0.248) 3.022 4.816 ( 3.259 1.882 -0.405) 3.785 5.270 ( -0.559 -0.323 1.513) 1.645 5.529 ( -1.664 -0.961 -0.978) 2.156 5.737 ( -13.640 -7.875 -4.516) 16.385 6.833 ( -0.328 -0.189 -8.322) 8.331 ======================= Grid point 252 (72/344) ======================= q-point: ( 0.53 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( 1.339 0.773 -1.860) 2.418 2.099 ( 2.274 1.313 -0.015) 2.626 3.122 ( 1.990 1.149 -3.329) 4.045 3.935 ( 1.355 0.782 -0.534) 1.653 4.026 ( -0.388 -0.224 1.014) 1.109 4.373 ( -2.531 -1.461 -1.391) 3.236 4.615 ( 0.800 0.462 0.258) 0.959 4.945 ( 6.792 3.921 2.448) 8.215 5.136 ( -7.709 -4.451 -3.439) 9.542 5.508 ( -0.135 -0.078 0.822) 0.837 5.590 ( -1.142 -0.659 0.509) 1.413 6.846 ( 2.511 1.450 1.937) 3.487 ======================= Grid point 253 (73/344) ======================= q-point: (-0.40 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( 0.402 0.232 -0.416) 0.623 2.103 ( -1.977 -1.141 0.357) 2.311 3.106 ( -1.912 -1.104 -4.774) 5.260 3.927 ( -1.958 -1.131 -1.297) 2.607 4.018 ( -0.267 -0.154 0.429) 0.528 4.313 ( -1.519 -0.877 -6.225) 6.468 4.609 ( -1.025 -0.592 -0.956) 1.521 4.926 ( -5.924 -3.420 1.121) 6.931 5.166 ( 6.595 3.807 -0.307) 7.621 5.528 ( 1.298 0.749 2.638) 3.034 5.618 ( 3.773 2.179 2.753) 5.154 6.953 ( 4.888 2.822 11.169) 12.514 ======================= Grid point 254 (74/344) ======================= q-point: (-0.33 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.770 ( -1.978 -1.142 0.855) 2.438 2.012 ( -6.438 -3.717 0.658) 7.463 3.017 ( -4.723 -2.727 -2.972) 6.211 3.847 ( -4.295 -2.480 -2.091) 5.382 4.016 ( -0.133 -0.077 -0.014) 0.155 4.261 ( -0.976 -0.564 -8.243) 8.320 4.572 ( -1.855 -1.071 -1.002) 2.365 4.821 ( -3.925 -2.266 0.565) 4.567 5.217 ( -1.564 -0.903 -2.254) 2.888 5.575 ( 1.726 0.996 3.083) 3.671 5.825 ( 13.501 7.795 3.351) 15.946 7.132 ( 6.346 3.664 17.607) 19.071 ======================= Grid point 255 (75/344) ======================= q-point: (-0.27 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( -6.831 -3.944 1.131) 7.968 1.819 ( -11.061 -6.386 0.514) 12.782 2.862 ( -9.505 -5.488 0.797) 11.004 3.737 ( -4.489 -2.592 -2.674) 5.833 4.011 ( -0.286 -0.165 -0.112) 0.348 4.209 ( -1.481 -0.855 -6.399) 6.624 4.529 ( -1.459 -0.842 -0.734) 1.838 4.744 ( -2.684 -1.549 -5.052) 5.926 5.133 ( -4.519 -2.609 0.211) 5.223 5.616 ( 1.014 0.586 1.753) 2.108 6.190 ( 17.825 10.291 -0.443) 20.588 7.345 ( 6.562 3.788 20.241) 21.613 ======================= Grid point 256 (76/344) ======================= q-point: (-0.20 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( -11.915 -6.879 0.565) 13.770 1.527 ( -15.035 -8.680 -0.091) 17.361 2.568 ( -17.894 -10.331 2.772) 20.847 3.639 ( -3.383 -1.953 -2.666) 4.730 4.004 ( -0.306 -0.177 -0.103) 0.368 4.153 ( -2.116 -1.222 -2.178) 3.273 4.506 ( -0.611 -0.353 -2.403) 2.505 4.653 ( -3.227 -1.863 -8.019) 8.843 5.052 ( -2.849 -1.645 2.620) 4.206 5.627 ( -0.223 -0.129 -0.611) 0.664 6.590 ( 18.614 10.747 -4.708) 22.003 7.553 ( 5.717 3.301 19.441) 20.531 ======================= Grid point 257 (77/344) ======================= q-point: (-0.13 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( -17.300 -9.988 -0.516) 19.983 1.165 ( -15.410 -8.897 0.168) 17.795 2.087 ( -25.791 -14.891 2.624) 29.897 3.570 ( -2.060 -1.189 -2.253) 3.276 3.998 ( -0.174 -0.100 -0.090) 0.220 4.098 ( -2.822 -1.630 1.828) 3.737 4.422 ( -5.659 -3.267 -9.041) 11.156 4.602 ( 0.591 0.341 -0.898) 1.128 5.026 ( -0.366 -0.211 1.505) 1.563 5.605 ( -1.137 -0.656 -2.631) 2.941 6.971 ( 17.169 9.912 -7.689) 21.264 7.728 ( 4.257 2.458 17.127) 17.819 ======================= Grid point 258 (78/344) ======================= q-point: (-0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( -17.682 -10.209 0.312) 20.419 0.800 ( -17.194 -9.927 0.850) 19.872 1.463 ( -30.569 -17.649 3.459) 35.467 3.530 ( -1.003 -0.579 -1.615) 1.988 3.995 ( -0.033 -0.019 -0.302) 0.304 4.043 ( -2.760 -1.594 3.086) 4.437 4.235 ( -7.433 -4.292 -10.091) 13.248 4.633 ( 1.565 0.903 2.977) 3.482 5.037 ( 0.948 0.547 0.369) 1.155 5.567 ( -1.118 -0.645 -3.028) 3.292 7.272 ( 12.102 6.987 -15.238) 20.675 7.874 ( 3.896 2.249 21.468) 21.934 ======================= Grid point 261 (79/344) ======================= q-point: ( 0.13 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.483 ( -0.000 14.267 11.147) 18.106 0.517 ( -0.000 15.113 12.686) 19.732 0.934 ( -0.000 29.309 17.209) 33.988 3.505 ( 0.000 -0.092 -0.531) 0.539 3.807 ( 0.000 15.891 -12.901) 20.468 3.974 ( 0.000 0.168 -2.569) 2.574 4.014 ( 0.000 3.888 -1.879) 4.318 4.902 ( -0.000 -12.764 6.190) 14.186 5.106 ( -0.000 -7.630 10.793) 13.218 5.536 ( -0.000 -0.901 -0.030) 0.902 6.821 ( 0.000 28.708 -29.196) 40.946 8.700 ( -0.000 -39.233 34.754) 52.412 ======================= Grid point 262 (80/344) ======================= q-point: ( 0.20 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( 8.628 14.315 7.278) 18.230 0.782 ( 8.550 14.395 8.926) 18.973 1.385 ( 13.096 26.753 9.113) 31.149 3.537 ( 2.985 0.159 0.312) 3.006 3.859 ( 0.101 4.277 -5.045) 6.615 4.010 ( 0.184 6.608 -5.248) 8.440 4.174 ( 13.258 4.933 -1.800) 14.260 4.776 ( -3.988 -7.706 5.147) 10.089 5.065 ( -1.760 -2.440 3.868) 4.901 5.580 ( 4.570 -2.311 1.011) 5.220 6.984 ( 5.092 8.475 -20.037) 22.344 8.280 ( -21.853 -21.906 22.863) 38.473 ======================= Grid point 263 (81/344) ======================= q-point: ( 0.27 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( 10.048 12.210 3.028) 16.100 1.115 ( 11.450 13.693 5.759) 18.755 1.890 ( 16.440 21.034 1.880) 26.762 3.598 ( 2.950 1.501 1.461) 3.618 3.904 ( 4.017 -0.122 -1.451) 4.273 4.077 ( 1.204 8.841 -3.381) 9.541 4.464 ( 14.946 5.216 0.996) 15.862 4.665 ( -3.672 -5.133 3.520) 7.227 5.018 ( -2.619 -1.582 0.485) 3.098 5.620 ( 2.676 -3.098 1.041) 4.224 7.001 ( 0.886 -2.765 -12.617) 12.947 7.757 ( -26.803 -12.933 8.209) 30.872 ======================= Grid point 264 (82/344) ======================= q-point: ( 0.33 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( 9.595 9.281 -0.813) 13.374 1.451 ( 11.064 13.042 3.285) 17.415 2.334 ( 15.772 14.878 -1.890) 21.765 3.674 ( 3.014 2.668 2.151) 4.564 3.962 ( 2.879 0.785 -1.355) 3.277 4.203 ( 4.463 7.494 1.448) 8.842 4.578 ( -2.331 -3.193 1.734) 4.317 4.764 ( 12.875 3.273 6.522) 14.799 4.952 ( -2.643 -0.679 -3.507) 4.443 5.614 ( 0.433 -3.836 0.102) 3.861 6.876 ( -6.100 -10.648 -2.034) 12.438 7.218 ( -24.829 -5.040 -9.973) 27.227 ======================= Grid point 265 (83/344) ======================= q-point: ( 0.40 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( 7.498 6.044 -3.167) 10.138 1.746 ( 8.722 11.731 1.388) 14.684 2.685 ( 13.117 9.255 -2.139) 16.195 3.765 ( 3.376 3.366 2.250) 5.272 4.005 ( 1.157 2.168 -1.351) 2.804 4.361 ( 4.708 5.926 5.401) 9.298 4.536 ( -0.617 -1.774 1.479) 2.391 4.836 ( -3.214 -1.776 -0.575) 3.717 5.055 ( 10.953 2.402 1.628) 11.331 5.569 ( -0.796 -3.903 -0.413) 4.005 6.499 ( -24.946 -10.112 2.323) 27.018 6.887 ( -5.598 -2.022 -18.422) 19.360 ======================= Grid point 266 (84/344) ======================= q-point: ( 0.47 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( 4.634 3.156 -3.628) 6.678 1.971 ( 5.290 9.847 0.387) 11.185 2.933 ( 9.103 4.793 -1.572) 10.407 3.861 ( 2.996 3.638 1.485) 4.941 4.034 ( 0.091 2.387 -0.412) 2.424 4.474 ( -1.405 2.113 6.401) 6.885 4.539 ( 2.963 1.331 -0.504) 3.287 4.789 ( 0.500 0.520 -1.917) 2.048 5.202 ( 5.786 -4.008 -0.551) 7.060 5.531 ( -0.373 -0.899 1.142) 1.500 6.007 ( -23.934 -2.286 -3.707) 24.327 6.779 ( 0.735 -2.967 -8.981) 9.487 ======================= Grid point 267 (85/344) ======================= q-point: ( 0.53 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( 2.358 1.365 -2.800) 3.907 2.113 ( 1.385 7.680 0.232) 7.807 3.066 ( 4.333 1.216 -2.990) 5.403 3.937 ( 1.370 3.742 0.087) 3.986 4.046 ( -1.051 1.344 0.463) 1.768 4.426 ( -4.457 0.330 -1.262) 4.644 4.607 ( 1.379 1.417 1.220) 2.323 4.873 ( 6.646 3.673 1.203) 7.688 5.151 ( -2.264 -8.552 -4.213) 9.798 5.554 ( -0.048 3.741 2.807) 4.677 5.687 ( -12.509 2.236 -2.049) 12.871 6.787 ( 4.612 -2.030 0.726) 5.091 ======================= Grid point 268 (86/344) ======================= q-point: (-0.40 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( 1.272 0.561 -1.594) 2.115 2.166 ( -2.790 5.427 0.559) 6.128 3.085 ( 0.234 -1.560 -5.296) 5.525 3.971 ( -2.070 3.398 -0.838) 4.067 4.027 ( -1.065 -0.624 -0.124) 1.241 4.353 ( -4.218 2.511 -4.853) 6.903 4.615 ( -0.737 -0.291 -1.067) 1.329 4.985 ( -3.711 -3.548 1.243) 5.283 5.071 ( 7.348 2.124 -0.199) 7.652 5.566 ( -4.285 2.790 1.354) 5.289 5.629 ( 1.452 4.898 2.411) 5.649 6.892 ( 7.531 -1.089 9.171) 11.917 ======================= Grid point 269 (87/344) ======================= q-point: (-0.33 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( 0.033 -0.451 -0.384) 0.593 2.126 ( -7.255 2.973 1.013) 7.905 3.025 ( -1.928 -3.345 -5.097) 6.394 3.909 ( -5.309 -0.699 -1.338) 5.519 4.023 ( -0.280 1.471 -1.321) 1.997 4.302 ( -3.983 4.961 -6.375) 9.007 4.583 ( -1.394 -1.143 -1.828) 2.568 4.878 ( -4.944 -2.828 2.238) 6.120 5.192 ( 3.163 -0.380 -1.006) 3.340 5.550 ( 0.505 -0.694 2.958) 3.080 5.777 ( 6.320 11.158 2.535) 13.072 7.071 ( 9.474 -0.616 14.988) 17.742 ======================= Grid point 270 (88/344) ======================= q-point: (-0.27 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( -3.660 -2.533 0.232) 4.457 1.984 ( -11.981 -0.005 1.122) 12.034 2.925 ( -4.297 -4.837 -1.941) 6.755 3.799 ( -5.599 -1.456 -1.829) 6.068 4.022 ( -1.211 1.607 -1.692) 2.629 4.268 ( -4.198 6.384 -5.285) 9.291 4.539 ( -1.504 -1.558 -1.144) 2.449 4.774 ( -4.857 -2.450 -1.210) 5.572 5.165 ( -2.474 -2.950 -1.003) 3.979 5.578 ( 2.573 -2.190 2.944) 4.481 6.061 ( 11.860 13.489 0.192) 17.963 7.288 ( 10.068 -0.697 17.226) 19.964 ======================= Grid point 271 (89/344) ======================= q-point: (-0.20 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( -9.243 -4.589 0.045) 10.320 1.735 ( -16.292 -2.968 0.749) 16.577 2.745 ( -11.414 -6.854 1.026) 13.353 3.691 ( -5.068 -0.690 -1.732) 5.400 3.998 ( -1.723 -0.127 -1.837) 2.521 4.247 ( -4.759 7.062 -1.271) 8.610 4.504 ( -0.682 -0.997 -1.079) 1.620 4.660 ( -4.035 -2.872 -6.365) 8.065 5.089 ( -2.838 -2.548 1.165) 3.987 5.599 ( 1.744 -2.554 0.916) 3.226 6.408 ( 14.868 12.339 -2.982) 19.550 7.501 ( 9.395 -1.320 15.977) 18.581 ======================= Grid point 272 (90/344) ======================= q-point: (-0.13 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( -14.263 -5.227 -0.043) 15.191 1.401 ( -19.207 -4.461 0.502) 19.725 2.397 ( -22.075 -8.225 1.845) 23.630 3.608 ( -3.866 0.133 -1.360) 4.101 3.957 ( -0.725 -2.518 -1.305) 2.927 4.234 ( -5.623 7.315 2.407) 9.535 4.449 ( -4.475 -2.499 -6.048) 7.928 4.581 ( 0.630 -1.059 -2.678) 2.948 5.039 ( -1.357 -1.197 1.252) 2.201 5.594 ( 0.278 -1.788 -1.070) 2.102 6.763 ( 16.172 9.869 -5.064) 19.610 7.679 ( 8.122 -2.638 12.701) 15.305 ======================= Grid point 273 (91/344) ======================= q-point: (-0.07 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( -20.190 -3.577 1.200) 20.539 1.036 ( -17.790 -3.813 1.041) 18.223 1.883 ( -30.508 -7.139 2.508) 31.433 3.556 ( -2.515 0.797 -0.690) 2.727 3.924 ( 0.660 -3.076 -1.006) 3.303 4.204 ( -6.558 4.552 2.224) 8.287 4.293 ( -7.619 -1.020 -6.791) 10.257 4.612 ( 2.697 0.249 1.727) 3.212 5.028 ( 0.425 -0.329 0.483) 0.723 5.575 ( -0.771 0.121 -1.494) 1.685 7.083 ( 14.002 7.074 -8.175) 17.690 7.815 ( 8.201 -5.077 11.976) 15.378 ======================= Grid point 277 (92/344) ======================= q-point: ( 0.20 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( -0.000 17.136 6.806) 18.438 0.895 ( -0.000 15.622 8.975) 18.017 1.599 ( -0.000 29.853 7.556) 30.795 3.507 ( 0.000 0.738 -0.460) 0.870 3.958 ( 0.000 0.268 -3.044) 3.056 3.991 ( 0.000 11.215 -6.352) 12.889 4.098 ( 0.000 5.742 -1.472) 5.928 4.741 ( -0.000 -8.027 2.662) 8.457 5.068 ( -0.000 -2.653 3.776) 4.614 5.527 ( 0.000 0.348 -0.608) 0.700 6.957 ( 0.000 2.987 -11.652) 12.029 8.315 ( -0.000 -21.912 16.029) 27.149 ======================= Grid point 278 (93/344) ======================= q-point: ( 0.27 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( 4.259 15.642 5.033) 16.975 1.122 ( 6.773 15.212 6.364) 17.826 1.945 ( 5.769 26.130 2.311) 26.859 3.553 ( 3.946 1.456 0.326) 4.219 3.892 ( -2.319 1.972 -1.548) 3.415 4.138 ( 0.756 9.463 -4.703) 10.595 4.255 ( 14.022 4.022 0.139) 14.588 4.662 ( -1.655 -6.273 1.614) 6.686 5.043 ( -1.646 -1.598 1.216) 2.596 5.554 ( 2.292 -0.323 -0.312) 2.335 6.917 ( 0.254 -6.152 -6.671) 9.078 8.028 ( -16.331 -14.434 6.871) 22.853 ======================= Grid point 279 (94/344) ======================= q-point: ( 0.33 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( 5.089 11.669 1.638) 12.836 1.435 ( 9.486 15.679 4.352) 18.835 2.286 ( 8.467 19.258 -1.785) 21.113 3.650 ( 4.235 2.878 1.557) 5.352 3.913 ( 2.790 1.680 -1.040) 3.419 4.230 ( 1.832 8.459 -1.266) 8.747 4.539 ( 12.128 1.291 -0.718) 12.218 4.597 ( 2.160 -3.307 4.239) 5.794 4.989 ( -3.236 -0.756 -1.847) 3.802 5.572 ( 0.815 -1.503 0.178) 1.719 6.799 ( -1.116 -12.509 -3.758) 13.109 7.583 ( -24.613 -6.662 -2.776) 25.649 ======================= Grid point 280 (95/344) ======================= q-point: ( 0.40 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( 5.195 7.979 -1.645) 9.662 1.748 ( 8.165 15.310 2.773) 17.571 2.583 ( 9.799 12.087 -2.187) 15.713 3.753 ( 3.386 3.865 2.468) 5.700 3.984 ( 3.382 2.273 -2.307) 4.683 4.360 ( 4.286 7.307 2.044) 8.714 4.532 ( -0.650 -2.306 1.233) 2.694 4.813 ( 10.217 -2.313 4.560) 11.425 4.924 ( -0.549 1.171 -5.942) 6.081 5.557 ( -0.877 -1.377 1.233) 2.046 6.622 ( -3.926 -14.332 0.011) 14.860 7.096 ( -25.114 -0.357 -11.590) 27.662 ======================= Grid point 281 (96/344) ======================= q-point: ( 0.47 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( 4.225 4.649 -3.137) 7.022 2.010 ( 4.959 14.266 1.451) 15.173 2.827 ( 9.074 6.471 -0.859) 11.178 3.855 ( 3.063 4.181 2.616) 5.806 4.045 ( 1.800 2.952 -2.277) 4.140 4.494 ( 2.970 0.147 -0.284) 2.987 4.533 ( 1.032 4.922 4.603) 6.818 4.805 ( -2.643 -0.158 -1.659) 3.124 5.019 ( 8.728 -5.139 -4.327) 11.014 5.547 ( -0.481 1.335 3.001) 3.320 6.356 ( -17.212 -6.294 1.254) 18.369 6.746 ( -8.434 -1.553 -11.910) 14.676 ======================= Grid point 282 (97/344) ======================= q-point: ( 0.53 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( 2.780 2.382 -2.991) 4.728 2.195 ( 1.176 12.560 0.932) 12.649 2.992 ( 5.596 2.300 -1.138) 6.156 3.950 ( 2.248 4.330 1.579) 5.128 4.080 ( -0.393 2.540 -0.803) 2.692 4.481 ( -1.453 -0.254 -3.064) 3.400 4.624 ( -0.171 3.995 3.360) 5.223 4.817 ( 3.709 3.248 -0.297) 4.939 5.030 ( 3.810 -8.764 -5.989) 11.278 5.590 ( 0.903 3.777 2.943) 4.873 6.002 ( -20.484 2.859 -1.574) 20.743 6.674 ( 4.166 -4.425 -1.181) 6.191 ======================= Grid point 283 (98/344) ======================= q-point: ( 0.60 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( 1.623 1.240 -2.149) 2.964 2.296 ( -2.817 10.581 1.215) 11.017 3.045 ( 1.107 -0.938 -3.351) 3.651 4.018 ( 0.800 3.306 -0.668) 3.466 4.064 ( -3.411 1.200 0.169) 3.620 4.441 ( -3.279 3.826 -4.804) 6.962 4.629 ( -1.771 0.544 -0.637) 1.959 4.957 ( 6.428 2.144 2.252) 7.141 4.980 ( 2.119 -4.494 -3.121) 5.867 5.657 ( 0.910 3.926 0.938) 4.138 5.759 ( -12.575 6.031 1.034) 13.984 6.755 ( 8.761 -4.360 6.831) 11.935 ======================= Grid point 284 (99/344) ======================= q-point: (-0.33 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( 0.757 0.432 -1.226) 1.504 2.310 ( -7.261 8.310 1.864) 11.192 3.002 ( -1.562 -3.170 -4.896) 6.038 3.968 ( -4.056 -3.270 -1.576) 5.443 4.068 ( -1.616 5.984 -1.075) 6.291 4.416 ( -4.001 6.941 -4.961) 9.423 4.589 ( -1.766 -0.981 -2.212) 2.996 4.924 ( -2.173 -2.855 1.645) 3.947 5.111 ( 5.966 0.434 0.850) 6.041 5.603 ( -5.734 0.930 1.096) 5.911 5.806 ( 3.565 10.269 1.695) 11.002 6.916 ( 11.415 -4.412 11.536) 16.818 ======================= Grid point 285 (100/344) ======================= q-point: (-0.27 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( -1.306 -0.869 -0.577) 1.671 2.219 ( -12.313 4.942 1.995) 13.417 2.919 ( -2.015 -4.109 -3.615) 5.832 3.859 ( -4.481 -2.774 -1.198) 5.405 4.084 ( -2.655 5.763 -2.279) 6.742 4.403 ( -4.414 8.079 -4.124) 10.087 4.543 ( -1.536 -1.385 -1.538) 2.577 4.845 ( -5.457 -2.151 1.610) 6.083 5.149 ( 0.465 -3.061 -1.064) 3.274 5.553 ( -1.158 -1.119 2.912) 3.327 6.022 ( 8.381 12.285 -0.505) 14.880 7.119 ( 12.844 -4.807 12.733) 18.713 ======================= Grid point 286 (101/344) ======================= q-point: (-0.20 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( -5.672 -2.129 -0.448) 6.075 2.009 ( -16.750 1.008 1.351) 16.834 2.822 ( -4.742 -4.082 -1.063) 6.346 3.762 ( -4.532 -1.231 -0.348) 4.709 4.067 ( -4.448 4.224 -2.652) 6.683 4.397 ( -4.123 7.209 -1.246) 8.398 4.506 ( -1.093 -0.041 -0.650) 1.273 4.709 ( -7.362 -2.928 -2.019) 8.176 5.099 ( -1.470 -3.101 -0.551) 3.476 5.549 ( 1.265 -2.429 2.156) 3.486 6.297 ( 11.304 10.947 -2.597) 15.949 7.327 ( 12.742 -5.460 10.291) 17.265 ======================= Grid point 287 (102/344) ======================= q-point: (-0.13 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( -10.885 -2.026 -0.372) 11.079 1.705 ( -19.513 -1.036 0.971) 19.564 2.641 ( -13.157 -3.512 -0.225) 13.620 3.681 ( -4.512 0.060 0.412) 4.531 4.000 ( -5.361 1.523 -1.717) 5.831 4.384 ( -3.905 3.132 0.818) 5.073 4.507 ( -2.933 4.481 0.498) 5.379 4.560 ( -3.415 -3.308 -3.192) 5.726 5.050 ( -1.343 -1.716 -0.388) 2.213 5.557 ( 1.639 -1.735 0.409) 2.421 6.585 ( 13.696 7.485 -3.257) 15.944 7.499 ( 11.399 -6.644 5.128) 14.155 ======================= Grid point 288 (103/344) ======================= q-point: (-0.07 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( -15.096 -0.119 0.056) 15.097 1.366 ( -20.372 0.029 1.753) 20.447 2.307 ( -23.471 -1.172 -0.336) 23.503 3.619 ( -3.713 0.870 1.031) 3.950 3.932 ( -3.076 0.920 -0.577) 3.262 4.291 ( -6.061 -3.877 -3.779) 8.127 4.464 ( -6.434 6.995 5.053) 10.764 4.570 ( 2.261 0.971 -0.052) 2.461 5.020 ( -0.310 -1.013 -0.870) 1.371 5.575 ( 1.081 0.666 -0.140) 1.278 6.874 ( 15.325 3.948 -2.523) 16.025 7.610 ( 9.976 -9.041 -0.185) 13.465 ======================= Grid point 293 (104/344) ======================= q-point: ( 0.27 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( -0.000 13.419 5.459) 14.487 1.229 ( -0.000 17.783 4.098) 18.249 2.163 ( 0.000 25.239 0.168) 25.239 3.531 ( 0.000 1.957 -0.040) 1.957 3.948 ( 0.000 0.914 -2.546) 2.705 4.153 ( -0.000 5.689 2.418) 6.182 4.210 ( 0.000 8.608 -3.490) 9.289 4.620 ( -0.000 -5.503 0.638) 5.540 5.047 ( -0.000 -0.969 0.179) 0.986 5.544 ( 0.000 1.958 -0.706) 2.081 6.812 ( 0.000 -12.401 -2.357) 12.623 8.048 ( -0.000 -12.326 1.806) 12.458 ======================= Grid point 294 (105/344) ======================= q-point: ( 0.33 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( 1.438 11.346 2.568) 11.721 1.468 ( 6.417 16.767 3.308) 18.256 2.394 ( 1.614 19.990 -2.694) 20.235 3.599 ( 4.898 3.001 0.503) 5.766 3.920 ( -1.732 1.812 -0.652) 2.590 4.272 ( 3.319 4.069 -0.512) 5.276 4.344 ( 9.324 6.474 1.280) 11.423 4.572 ( -0.465 -3.464 1.094) 3.662 5.023 ( -1.933 -0.027 -1.980) 2.767 5.566 ( 0.211 1.815 -0.264) 1.846 6.660 ( -0.302 -16.809 -1.367) 16.867 7.830 ( -13.464 -7.408 -3.589) 15.781 ======================= Grid point 295 (106/344) ======================= q-point: ( 0.40 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( 2.125 8.150 -0.600) 8.444 1.769 ( 8.778 16.008 2.686) 18.454 2.586 ( 3.700 13.249 -2.820) 14.042 3.730 ( 5.404 4.201 1.418) 6.990 3.939 ( 2.184 1.381 -0.945) 2.751 4.373 ( 3.365 5.768 0.623) 6.707 4.502 ( 3.104 -2.658 -0.666) 4.141 4.618 ( 8.800 1.590 3.885) 9.750 4.970 ( -3.585 1.173 -4.239) 5.674 5.578 ( -0.815 1.531 1.268) 2.148 6.487 ( 0.305 -16.950 -1.675) 17.035 7.460 ( -21.833 -2.589 -7.858) 23.348 ======================= Grid point 296 (107/344) ======================= q-point: ( 0.47 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( 2.537 5.128 -2.498) 6.243 2.066 ( 7.010 15.514 1.845) 17.124 2.762 ( 6.171 7.368 -0.670) 9.635 3.855 ( 3.469 4.603 3.158) 6.572 4.003 ( 4.388 1.482 -2.627) 5.325 4.457 ( 1.032 -0.222 0.228) 1.080 4.550 ( 4.848 3.862 1.326) 6.338 4.767 ( 6.651 -2.880 1.221) 7.350 4.909 ( -2.990 1.979 -6.353) 7.295 5.589 ( -0.805 2.490 2.901) 3.906 6.353 ( 1.554 -12.825 0.018) 12.919 7.027 ( -24.108 0.685 -9.917) 26.077 ======================= Grid point 297 (108/344) ======================= q-point: ( 0.53 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( 2.441 2.994 -2.747) 4.740 2.301 ( 3.003 14.530 1.149) 14.881 2.919 ( 6.031 3.010 0.640) 6.770 3.959 ( 2.514 4.199 3.619) 6.087 4.083 ( 3.106 2.626 -1.956) 4.513 4.451 ( 1.101 -1.953 -2.348) 3.247 4.683 ( 2.947 5.037 3.219) 6.665 4.810 ( 2.100 -0.039 0.104) 2.103 4.861 ( 0.685 -2.957 -8.904) 9.408 5.622 ( 0.312 3.227 2.089) 3.857 6.270 ( -4.742 -4.087 3.316) 7.084 6.659 ( -13.303 -0.662 -7.356) 15.216 ======================= Grid point 298 (109/344) ======================= q-point: ( 0.60 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( 1.835 1.827 -2.123) 3.348 2.453 ( -1.108 12.955 1.378) 13.075 3.005 ( 2.350 -0.348 -0.549) 2.438 4.034 ( 0.375 2.785 0.726) 2.902 4.124 ( -0.650 2.417 1.205) 2.778 4.456 ( 1.897 0.422 -4.770) 5.151 4.707 ( -5.222 3.795 -1.559) 6.641 4.840 ( 6.580 -6.141 -2.939) 9.468 4.898 ( 4.562 4.056 -0.025) 6.104 5.673 ( 1.494 3.265 0.170) 3.595 6.081 ( -17.062 5.190 1.089) 17.867 6.584 ( 6.568 -5.874 3.000) 9.308 ======================= Grid point 299 (110/344) ======================= q-point: (-0.33 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( 1.027 1.117 -1.385) 2.055 2.523 ( -5.387 11.072 2.325) 12.531 2.986 ( -1.595 -2.995 -2.764) 4.377 3.996 ( -3.935 -2.089 -1.751) 4.787 4.153 ( -1.069 5.270 1.523) 5.589 4.476 ( 0.811 1.743 -5.001) 5.358 4.642 ( -4.689 3.615 -3.475) 6.865 4.892 ( 3.532 -2.360 0.769) 4.316 5.019 ( 6.021 1.072 0.996) 6.196 5.710 ( -2.390 2.285 -1.176) 3.509 5.914 ( -7.648 7.781 2.152) 11.120 6.701 ( 11.391 -6.661 7.606) 15.231 ======================= Grid point 300 (111/344) ======================= q-point: (-0.27 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( -0.143 0.329 -0.882) 0.952 2.489 ( -11.130 7.514 2.717) 13.701 2.903 ( -2.140 -3.681 -3.254) 5.359 3.897 ( -4.042 -2.344 -0.835) 4.747 4.182 ( -2.268 5.787 -0.847) 6.273 4.477 ( -0.170 0.665 -3.496) 3.562 4.600 ( -4.426 5.194 -2.193) 7.168 4.897 ( -1.520 -1.394 1.520) 2.562 5.092 ( 2.719 -2.248 -0.512) 3.565 5.624 ( -6.547 0.339 1.394) 6.703 6.006 ( 5.402 8.966 -0.212) 10.470 6.872 ( 13.540 -7.148 7.735) 17.153 ======================= Grid point 301 (112/344) ======================= q-point: (-0.20 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( -2.616 -0.337 -0.763) 2.746 2.308 ( -16.230 1.866 1.366) 16.394 2.841 ( -1.819 -1.341 -0.983) 2.464 3.818 ( -3.643 -0.791 0.567) 3.771 4.175 ( -3.872 4.166 -2.483) 6.205 4.463 ( -0.882 0.165 -1.088) 1.410 4.575 ( -3.859 4.877 -0.664) 6.254 4.816 ( -6.911 -1.430 0.350) 7.066 5.079 ( -0.030 -2.377 -1.753) 2.954 5.548 ( -2.766 -1.227 2.285) 3.792 6.207 ( 9.116 6.939 -1.869) 11.608 7.059 ( 14.339 -7.318 4.128) 16.619 ======================= Grid point 302 (113/344) ======================= q-point: (-0.13 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( -6.569 0.039 -0.880) 6.628 2.021 ( -18.415 -0.787 0.663) 18.444 2.778 ( -5.972 0.490 -0.269) 5.999 3.758 ( -4.060 0.433 1.581) 4.379 4.112 ( -5.737 1.283 -2.143) 6.257 4.444 ( -2.299 0.567 0.258) 2.382 4.547 ( -2.621 -0.887 -0.655) 2.844 4.686 ( -7.205 3.227 2.378) 8.245 5.053 ( -0.924 -0.214 -2.055) 2.263 5.523 ( 0.547 -1.180 0.892) 1.577 6.416 ( 11.357 2.279 -1.782) 11.720 7.224 ( 13.263 -7.392 -2.489) 15.387 ======================= Grid point 303 (114/344) ======================= q-point: (-0.07 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( -10.781 1.830 -1.018) 10.983 1.705 ( -18.901 0.272 1.075) 18.933 2.624 ( -14.214 2.600 -1.586) 14.537 3.700 ( -4.343 0.918 2.091) 4.907 4.017 ( -5.196 0.608 -0.375) 5.245 4.350 ( -6.664 -3.325 -1.187) 7.542 4.513 ( 0.972 -0.653 0.646) 1.337 4.679 ( -3.875 7.045 7.186) 10.783 5.022 ( -1.817 0.402 -3.114) 3.628 5.550 ( 2.539 0.906 -0.222) 2.705 6.626 ( 14.720 -2.771 0.514) 14.987 7.330 ( 10.748 -8.094 -10.307) 16.949 ======================= Grid point 309 (115/344) ======================= q-point: ( 0.33 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( -0.000 9.465 1.146) 9.534 1.580 ( -0.000 15.986 1.981) 16.108 2.552 ( 0.000 16.234 -4.354) 16.808 3.586 ( -0.000 3.665 0.591) 3.713 3.961 ( 0.000 1.853 -1.245) 2.232 4.208 ( -0.000 -1.922 4.638) 5.020 4.398 ( -0.000 10.139 0.405) 10.147 4.555 ( -0.000 -0.644 1.024) 1.210 5.036 ( 0.000 0.946 -3.089) 3.230 5.589 ( 0.000 3.049 -0.789) 3.150 6.481 ( 0.000 -19.466 -1.029) 19.493 7.857 ( 0.000 -6.282 -5.885) 8.608 ======================= Grid point 310 (116/344) ======================= q-point: ( 0.40 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( 0.288 6.685 -1.178) 6.794 1.790 ( 6.605 14.430 1.364) 15.929 2.666 ( 0.231 10.715 -4.004) 11.441 3.676 ( 5.234 4.543 0.607) 6.957 3.952 ( -1.757 1.378 0.773) 2.363 4.274 ( 8.083 -3.627 2.822) 9.299 4.466 ( -0.028 1.564 0.038) 1.565 4.610 ( 1.756 8.486 3.225) 9.247 5.020 ( -2.059 2.035 -4.349) 5.225 5.614 ( -0.367 2.964 -0.096) 2.988 6.295 ( 0.924 -18.495 -2.146) 18.642 7.683 ( -11.522 -3.882 -7.880) 14.488 ======================= Grid point 311 (117/344) ======================= q-point: ( 0.47 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( 0.952 4.105 -2.608) 4.956 2.071 ( 9.685 13.482 1.019) 16.632 2.755 ( 2.381 5.848 -1.352) 6.457 3.828 ( 6.557 5.176 0.432) 8.365 3.954 ( 0.820 0.178 1.948) 2.121 4.401 ( 10.366 -3.954 0.769) 11.121 4.455 ( -0.778 -0.996 -0.516) 1.365 4.740 ( 1.319 8.445 2.310) 8.855 4.979 ( -3.669 3.014 -4.879) 6.808 5.635 ( -0.616 2.787 1.466) 3.209 6.165 ( 3.881 -14.051 -2.119) 14.730 7.366 ( -19.330 -1.224 -8.670) 21.221 ======================= Grid point 312 (118/344) ======================= q-point: ( 0.53 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( 1.815 2.538 -2.601) 4.062 2.352 ( 7.743 12.966 0.306) 15.105 2.855 ( 4.887 2.091 1.371) 5.490 3.974 ( 2.826 4.822 4.657) 7.275 4.010 ( 6.051 0.885 -1.483) 6.293 4.424 ( -0.799 -1.613 -1.536) 2.366 4.534 ( 10.457 -5.595 -0.728) 11.882 4.822 ( -0.503 7.232 -0.126) 7.250 4.920 ( -4.947 3.063 -4.546) 7.384 5.654 ( -0.424 2.015 0.970) 2.276 6.154 ( 7.492 -7.890 1.430) 10.974 6.980 ( -22.436 0.869 -7.684) 23.731 ======================= Grid point 313 (119/344) ======================= q-point: ( 0.60 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( 2.053 1.777 -1.830) 3.274 2.566 ( 3.193 11.984 0.106) 12.403 2.949 ( 4.094 -0.811 1.791) 4.542 4.063 ( 1.379 3.384 4.725) 5.973 4.119 ( 3.993 1.871 -0.768) 4.476 4.401 ( 1.132 -1.034 -2.845) 3.232 4.632 ( 9.285 -6.328 -3.202) 11.684 4.837 ( -5.643 4.791 -2.663) 7.867 4.895 ( 0.855 4.753 -0.562) 4.862 5.674 ( 0.984 1.497 -0.391) 1.833 6.242 ( 5.866 -2.272 4.916) 7.983 6.612 ( -18.157 0.222 -4.881) 18.803 ======================= Grid point 314 (120/344) ======================= q-point: ( 0.67 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( 1.509 1.269 -1.071) 2.244 2.693 ( -1.109 10.546 1.130) 10.664 2.967 ( -0.059 -3.498 -0.109) 3.500 4.060 ( -5.015 0.397 0.025) 5.030 4.191 ( 2.493 1.962 2.547) 4.069 4.425 ( 2.875 -0.272 -3.523) 4.555 4.707 ( 3.968 1.045 -7.315) 8.387 4.811 ( 0.371 1.533 3.477) 3.818 4.959 ( 2.612 1.889 -0.172) 3.228 5.718 ( 2.271 1.935 -0.982) 3.141 6.201 ( -15.283 5.665 1.726) 16.391 6.479 ( 8.096 -7.106 2.513) 11.062 ======================= Grid point 315 (121/344) ======================= q-point: (-0.27 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( 0.550 0.715 -0.664) 1.120 2.727 ( -7.162 7.008 2.188) 10.256 2.894 ( -2.052 -4.016 -1.756) 4.840 3.961 ( -5.587 -0.536 0.419) 5.629 4.240 ( 0.410 1.891 -0.305) 1.958 4.452 ( 1.549 0.440 -1.563) 2.244 4.714 ( -3.340 5.056 -4.102) 7.317 4.877 ( 3.148 -0.749 2.358) 4.004 5.015 ( 3.741 -1.216 -0.918) 4.039 5.737 ( -3.499 1.285 -0.872) 3.828 6.053 ( -5.177 4.218 1.959) 6.959 6.605 ( 12.132 -6.534 2.728) 14.047 ======================= Grid point 316 (122/344) ======================= q-point: (-0.20 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( -0.754 0.321 -0.666) 1.056 2.567 ( -13.533 -2.178 -0.108) 13.708 2.867 ( -1.118 2.368 1.071) 2.829 3.885 ( -4.146 0.806 1.795) 4.589 4.235 ( -1.434 -0.182 -2.356) 2.764 4.476 ( -0.063 2.205 0.348) 2.234 4.675 ( -4.162 1.463 -0.671) 4.463 4.884 ( -2.222 -0.775 0.533) 2.413 5.044 ( 1.850 -0.403 -3.231) 3.745 5.634 ( -7.197 -0.434 1.591) 7.383 6.113 ( 6.131 0.988 0.661) 6.245 6.764 ( 13.292 -5.308 -1.423) 14.383 ======================= Grid point 317 (123/344) ======================= q-point: (-0.13 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( -2.857 0.667 -1.060) 3.120 2.287 ( -15.468 -3.861 -0.466) 15.949 2.873 ( -3.045 3.840 1.835) 5.233 3.841 ( -3.916 1.737 2.553) 4.987 4.175 ( -3.182 -2.170 -2.182) 4.427 4.492 ( -1.363 3.079 0.768) 3.453 4.593 ( -4.712 -4.008 1.652) 6.403 4.810 ( -4.908 0.600 -0.174) 4.948 5.066 ( 0.558 3.255 -3.239) 4.626 5.539 ( -3.572 -1.024 1.603) 4.047 6.229 ( 9.303 -4.940 0.350) 10.539 6.926 ( 12.867 -3.752 -8.059) 15.639 ======================= Grid point 318 (124/344) ======================= q-point: (-0.07 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( -5.913 2.034 -1.765) 6.497 1.993 ( -15.886 -1.861 0.002) 15.995 2.834 ( -7.505 4.856 0.140) 8.940 3.795 ( -4.625 1.619 2.586) 5.541 4.084 ( -3.894 -2.303 -0.893) 4.612 4.442 ( -7.218 -3.794 3.088) 8.719 4.510 ( -0.570 1.103 -0.232) 1.263 4.776 ( -1.046 1.575 3.469) 3.951 5.085 ( -2.721 5.145 -1.887) 6.118 5.518 ( 1.351 0.434 -0.355) 1.463 6.333 ( 12.556 -10.953 1.031) 16.694 7.049 ( 10.327 -3.148 -15.230) 18.668 ======================= Grid point 325 (125/344) ======================= q-point: ( 0.40 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( 0.000 4.387 -2.709) 5.156 1.858 ( 0.000 11.778 0.396) 11.784 2.733 ( 0.000 6.064 -4.050) 7.292 3.681 ( -0.000 5.453 1.309) 5.608 3.997 ( 0.000 2.092 -0.179) 2.100 4.159 ( -0.000 -6.404 5.877) 8.692 4.472 ( 0.000 -0.539 -0.357) 0.646 4.717 ( -0.000 12.608 3.836) 13.179 5.045 ( 0.000 2.846 -4.662) 5.462 5.644 ( 0.000 3.148 -1.066) 3.324 6.102 ( 0.000 -17.189 -2.902) 17.432 7.713 ( 0.000 -3.672 -8.507) 9.266 ======================= Grid point 326 (126/344) ======================= q-point: ( 0.47 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( 0.146 2.235 -3.288) 3.979 2.030 ( 7.821 9.837 -0.001) 12.567 2.765 ( 0.828 2.177 -1.900) 3.006 3.779 ( 4.417 5.434 0.716) 7.039 3.983 ( -2.035 0.442 3.040) 3.685 4.199 ( 8.054 -5.463 2.540) 10.058 4.458 ( -0.542 -1.024 -0.383) 1.220 4.847 ( -0.609 11.479 2.800) 11.831 5.043 ( -1.984 3.502 -4.384) 5.951 5.669 ( -0.067 2.666 -0.370) 2.692 5.963 ( 2.859 -13.013 -3.211) 13.705 7.566 ( -10.039 -2.211 -8.581) 13.390 ======================= Grid point 327 (127/344) ======================= q-point: ( 0.53 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( 1.268 1.327 -2.493) 3.096 2.290 ( 11.706 8.890 -0.535) 14.708 2.803 ( 3.100 -0.194 0.950) 3.248 3.912 ( 5.719 2.651 -1.170) 6.411 3.999 ( 1.328 2.562 6.081) 6.731 4.299 ( 9.424 -5.549 -1.138) 10.995 4.433 ( -1.033 -1.138 0.094) 1.540 4.923 ( -2.133 8.392 0.308) 8.665 5.014 ( -3.950 3.575 -3.550) 6.402 5.679 ( -0.790 0.598 -0.108) 0.997 5.949 ( 7.860 -6.567 -1.033) 10.294 7.294 ( -17.191 -0.177 -7.499) 18.756 ======================= Grid point 328 (128/344) ======================= q-point: ( 0.60 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( 2.160 1.205 -1.259) 2.775 2.556 ( 9.764 8.337 -1.515) 12.928 2.868 ( 4.623 -1.968 2.887) 5.795 4.009 ( 6.054 -0.759 1.106) 6.200 4.107 ( 2.798 5.245 3.410) 6.853 4.381 ( 3.777 -2.073 -3.681) 5.667 4.417 ( 4.492 -4.058 1.209) 6.173 4.949 ( -2.910 3.417 -1.275) 4.666 4.962 ( -4.193 5.411 -2.160) 7.178 5.669 ( 0.130 -0.240 -0.444) 0.521 6.066 ( 10.428 -2.950 1.390) 10.926 6.956 ( -20.879 1.392 -5.211) 21.564 ======================= Grid point 329 (129/344) ======================= q-point: ( 0.67 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( 2.083 1.017 -0.353) 2.345 2.751 ( 5.077 7.505 -1.378) 9.165 2.912 ( 2.382 -4.383 2.155) 5.435 4.113 ( 6.611 -1.462 -0.153) 6.773 4.152 ( -3.163 1.715 1.879) 4.059 4.386 ( 1.180 0.764 -0.210) 1.422 4.534 ( 10.778 -1.074 -1.021) 10.879 4.895 ( -4.211 2.378 -0.723) 4.890 4.968 ( -1.156 2.627 -0.774) 2.973 5.688 ( 2.142 0.553 -0.010) 2.212 6.224 ( 10.610 -2.426 1.249) 10.956 6.602 ( -21.139 1.454 -2.256) 21.308 ======================= Grid point 330 (130/344) ======================= q-point: (-0.27 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( 1.268 0.561 0.001) 1.386 2.855 ( -3.160 -1.798 0.269) 3.645 2.871 ( 1.816 1.026 -0.282) 2.105 4.068 ( -6.036 0.009 1.050) 6.127 4.191 ( 3.988 -1.801 -2.055) 4.835 4.439 ( 2.346 2.439 2.025) 3.943 4.709 ( 7.934 2.546 -2.911) 8.826 4.856 ( -2.000 -0.099 3.347) 3.900 4.967 ( 0.453 -0.127 -1.492) 1.565 5.741 ( 2.677 0.791 0.078) 2.792 6.275 ( -15.606 -2.641 -0.032) 15.828 6.380 ( 8.634 0.087 0.002) 8.634 ======================= Grid point 331 (131/344) ======================= q-point: (-0.20 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( 0.281 0.204 -0.091) 0.360 2.689 ( -7.819 -8.456 -1.244) 11.584 2.930 ( -0.520 5.143 1.581) 5.406 3.987 ( -5.188 1.784 2.710) 6.119 4.203 ( 1.590 -3.225 -3.104) 4.750 4.507 ( 0.948 3.626 2.679) 4.607 4.733 ( -3.436 -1.656 -1.793) 4.214 4.884 ( 2.160 -0.305 2.947) 3.667 4.987 ( 2.973 0.623 -3.726) 4.808 5.747 ( -4.017 -0.033 0.007) 4.017 6.060 ( -3.906 -6.015 2.595) 7.626 6.533 ( 9.891 0.790 -3.809) 10.628 ======================= Grid point 332 (132/344) ======================= q-point: (-0.13 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.770 ( -0.729 0.386 -0.581) 1.009 2.446 ( -10.719 -7.881 -1.151) 13.355 2.967 ( -1.729 4.974 2.657) 5.898 3.943 ( -4.383 2.733 3.212) 6.082 4.166 ( -0.501 -4.181 -1.978) 4.652 4.551 ( -0.920 3.630 1.550) 4.052 4.622 ( -4.253 -6.407 1.437) 7.823 4.880 ( -3.197 0.599 -0.123) 3.255 5.048 ( 3.857 3.046 -4.800) 6.870 5.630 ( -7.356 -1.123 1.786) 7.653 6.022 ( 5.968 -10.975 1.436) 12.575 6.696 ( 9.971 2.331 -8.181) 13.107 ======================= Grid point 333 (133/344) ======================= q-point: (-0.07 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( -2.208 1.241 -1.544) 2.967 2.190 ( -11.718 -4.882 -0.609) 12.708 2.981 ( -3.826 5.268 2.003) 6.811 3.902 ( -4.770 2.041 2.525) 5.771 4.100 ( -1.944 -3.814 -0.514) 4.311 4.494 ( -3.869 -6.502 3.188) 8.210 4.560 ( -2.182 2.599 0.999) 3.537 4.822 ( -3.483 1.182 -0.526) 3.715 5.134 ( 3.002 4.979 -2.955) 6.522 5.533 ( -3.373 -0.648 1.427) 3.719 6.021 ( 8.879 -15.295 -0.442) 17.691 6.837 ( 8.293 2.112 -12.620) 15.247 ======================= Grid point 341 (134/344) ======================= q-point: ( 0.47 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( 0.000 0.600 -3.309) 3.363 2.037 ( 0.000 6.761 -0.325) 6.769 2.756 ( 0.000 -1.000 -0.962) 1.388 3.801 ( -0.000 5.489 1.419) 5.670 4.030 ( -0.000 1.189 0.178) 1.202 4.072 ( -0.000 -5.935 5.321) 7.971 4.450 ( 0.000 -1.096 -0.160) 1.108 4.971 ( -0.000 9.993 1.708) 10.138 5.082 ( 0.000 4.117 -3.034) 5.114 5.690 ( 0.000 2.402 -1.465) 2.813 5.814 ( 0.000 -10.010 -3.074) 10.472 7.600 ( 0.000 -1.692 -8.305) 8.476 ======================= Grid point 342 (135/344) ======================= q-point: ( 0.53 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( 0.795 0.329 -1.857) 2.047 2.169 ( 9.029 4.895 -0.586) 10.287 2.753 ( 1.825 -2.007 0.908) 2.861 3.873 ( 2.176 3.123 0.500) 3.839 4.021 ( 0.599 1.148 4.588) 4.767 4.115 ( 6.224 -4.181 0.083) 7.498 4.438 ( -0.446 -0.804 0.422) 1.011 5.032 ( -1.848 5.817 -1.023) 6.189 5.098 ( -2.590 4.522 -1.205) 5.348 5.691 ( -0.976 -0.860 -0.957) 1.615 5.780 ( 5.533 -3.217 -2.117) 6.741 7.487 ( -8.951 -0.039 -7.228) 11.505 ======================= Grid point 343 (136/344) ======================= q-point: ( 0.60 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( 1.882 0.820 -0.176) 2.060 2.403 ( 13.523 3.595 -1.439) 14.066 2.788 ( 3.630 -1.875 2.632) 4.860 3.928 ( 3.089 -0.097 0.738) 3.177 4.106 ( 3.523 2.833 2.901) 5.372 4.191 ( 8.615 -3.636 -0.628) 9.372 4.423 ( -1.109 -0.320 1.317) 1.751 5.027 ( -3.061 2.564 -1.276) 4.192 5.071 ( -4.244 3.509 -1.245) 5.646 5.664 ( -0.380 -0.880 -0.318) 1.010 5.884 ( 8.800 -0.802 -0.994) 8.892 7.263 ( -15.860 1.688 -5.252) 16.792 ======================= Grid point 344 (137/344) ======================= q-point: (-0.33 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( 2.219 0.837 0.796) 2.502 2.643 ( 12.034 1.529 -2.150) 12.319 2.838 ( 3.044 -2.366 2.569) 4.633 3.992 ( 5.072 -1.234 -0.643) 5.260 4.164 ( 2.907 -2.142 0.173) 3.615 4.344 ( 8.122 2.396 0.574) 8.488 4.414 ( 0.837 0.505 3.708) 3.835 4.975 ( -3.895 0.787 -1.033) 4.106 5.029 ( -3.538 1.200 -0.088) 3.737 5.666 ( 0.958 0.320 0.529) 1.140 6.030 ( 9.887 -0.972 -1.526) 10.051 6.964 ( -20.198 2.367 -2.640) 20.507 ======================= Grid point 345 (138/344) ======================= q-point: (-0.27 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( 1.774 0.286 1.023) 2.068 2.772 ( 4.518 -7.558 0.251) 8.809 2.872 ( 2.930 2.633 -1.182) 4.113 4.046 ( 4.350 -3.103 -4.280) 6.846 4.173 ( -0.698 -0.777 2.294) 2.520 4.417 ( 2.841 1.474 2.014) 3.782 4.579 ( 9.709 3.771 3.096) 10.866 4.918 ( -3.639 0.075 1.232) 3.842 4.972 ( -2.289 -1.977 -0.121) 3.027 5.700 ( 2.353 -0.040 1.097) 2.597 6.168 ( 8.343 -1.615 -3.847) 9.328 6.636 ( -20.294 2.424 0.754) 20.452 ======================= Grid point 346 (139/344) ======================= q-point: (-0.20 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 1.016 -0.187 0.802) 1.308 2.678 ( -2.859 -11.222 -0.175) 11.582 2.957 ( 2.820 3.438 -0.950) 4.547 4.051 ( 1.102 -2.022 -2.230) 3.205 4.151 ( -1.380 -0.850 0.609) 1.732 4.506 ( 3.888 1.838 3.103) 5.304 4.732 ( 2.189 -0.028 -2.449) 3.285 4.869 ( -0.696 -0.211 6.867) 6.905 4.943 ( 1.293 -1.188 -1.873) 2.567 5.737 ( 2.480 -2.136 0.824) 3.375 6.139 ( -8.713 -6.058 -4.074) 11.367 6.468 ( -1.328 5.836 1.704) 6.223 ======================= Grid point 347 (140/344) ======================= q-point: (-0.13 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( 0.309 -0.111 0.312) 0.453 2.492 ( -6.017 -10.713 -0.522) 12.298 3.022 ( 1.220 3.406 0.587) 3.665 4.039 ( -1.851 1.008 1.416) 2.539 4.114 ( -0.253 -3.598 -1.357) 3.854 4.579 ( 1.519 0.162 3.829) 4.123 4.640 ( -4.849 -4.905 -2.500) 7.336 4.928 ( 0.252 2.694 2.983) 4.027 4.976 ( 4.023 0.396 -2.664) 4.841 5.728 ( -2.009 -2.621 0.349) 3.321 5.891 ( -6.684 -9.954 -0.255) 11.993 6.587 ( 5.781 6.336 -2.164) 8.845 ======================= Grid point 348 (141/344) ======================= q-point: (-0.07 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( -0.406 0.434 -0.574) 0.826 2.287 ( -7.296 -7.612 -0.325) 10.549 3.069 ( -0.356 3.884 1.180) 4.075 4.003 ( -4.487 0.979 1.542) 4.844 4.073 ( 0.412 -4.083 -0.464) 4.130 4.495 ( -3.416 -6.721 0.993) 7.604 4.609 ( -0.722 1.277 0.826) 1.683 4.920 ( -4.949 3.259 1.104) 6.027 5.063 ( 6.592 1.284 -3.716) 7.675 5.617 ( -6.904 -1.675 2.122) 7.414 5.770 ( 3.792 -12.948 -1.589) 13.585 6.729 ( 5.305 5.360 -4.713) 8.893 ======================= Grid point 357 (142/344) ======================= q-point: ( 0.53 0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( 0.000 0.525 -0.244) 0.579 2.120 ( 0.000 2.280 -0.286) 2.298 2.722 ( -0.000 -1.691 1.799) 2.469 3.889 ( -0.000 2.229 0.578) 2.302 4.017 ( -0.000 -3.044 3.504) 4.642 4.042 ( -0.000 0.013 0.191) 0.192 4.438 ( -0.000 -0.390 1.068) 1.137 5.082 ( 0.000 2.994 -1.615) 3.401 5.162 ( 0.000 3.140 -0.469) 3.175 5.679 ( 0.000 -2.443 -1.173) 2.710 5.714 ( 0.000 1.271 -1.762) 2.172 7.543 ( 0.000 1.389 -6.366) 6.516 ======================= Grid point 358 (143/344) ======================= q-point: (-0.40 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( 0.987 1.308 1.468) 2.200 2.215 ( 9.472 0.292 -0.561) 9.493 2.738 ( 1.981 -0.214 2.891) 3.511 3.904 ( 0.717 -0.090 1.053) 1.277 4.030 ( 3.057 -4.251 -1.528) 5.454 4.085 ( 4.897 2.043 3.219) 6.205 4.439 ( -0.345 0.121 1.811) 1.848 5.082 ( -1.885 0.796 -0.911) 2.240 5.149 ( -2.717 0.393 -1.030) 2.932 5.666 ( -0.440 0.526 -0.340) 0.765 5.762 ( 5.075 0.805 -1.536) 5.363 7.473 ( -8.527 3.089 -4.864) 10.291 ======================= Grid point 359 (144/344) ======================= q-point: (-0.33 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( 1.482 1.073 2.217) 2.874 2.404 ( 13.696 -2.622 -1.376) 14.013 2.790 ( 2.418 0.196 2.756) 3.672 3.929 ( 1.760 -0.184 0.697) 1.902 4.039 ( 5.388 -5.533 -2.100) 8.003 4.243 ( 8.699 3.608 3.235) 9.958 4.439 ( -0.866 0.399 2.645) 2.811 5.024 ( -3.099 -2.366 -1.487) 4.173 5.095 ( -3.497 -0.650 1.019) 3.700 5.667 ( -0.218 1.031 -0.232) 1.079 5.879 ( 7.688 1.711 -1.305) 7.984 7.288 ( -15.801 3.816 -2.890) 16.510 ======================= Grid point 360 (145/344) ======================= q-point: (-0.27 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( 1.571 0.003 2.149) 2.662 2.564 ( 10.642 -8.298 -1.024) 13.533 2.836 ( 2.467 0.678 0.114) 2.561 3.946 ( 2.341 -2.116 -3.627) 4.808 4.105 ( 6.596 -3.052 2.432) 7.664 4.412 ( 1.928 2.484 0.972) 3.291 4.479 ( 7.479 2.811 4.711) 9.275 4.947 ( -1.604 -3.814 -1.016) 4.260 5.020 ( -4.743 -2.003 2.946) 5.932 5.673 ( 0.744 -0.798 -0.423) 1.170 6.030 ( 7.608 3.439 -1.732) 8.527 7.009 ( -20.491 3.273 -0.303) 20.753 ======================= Grid point 361 (146/344) ======================= q-point: (-0.20 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( 1.449 -0.825 1.744) 2.412 2.564 ( 2.677 -13.165 0.031) 13.435 2.905 ( 4.811 1.386 -2.212) 5.473 3.955 ( 3.559 -2.799 -4.695) 6.522 4.167 ( 1.364 -1.715 3.310) 3.970 4.461 ( 3.204 1.273 2.183) 4.081 4.663 ( 6.517 2.058 0.404) 6.846 4.894 ( 0.400 -5.180 0.020) 5.196 4.939 ( -3.643 0.150 5.587) 6.672 5.670 ( 1.759 -3.732 -1.084) 4.266 6.152 ( 1.897 3.218 -3.235) 4.942 6.707 ( -17.747 3.523 3.860) 18.501 ======================= Grid point 362 (147/344) ======================= q-point: (-0.13 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( 1.161 -0.781 1.272) 1.891 2.439 ( -1.498 -13.140 0.173) 13.227 2.991 ( 4.689 1.165 -1.801) 5.156 3.979 ( 4.040 -2.741 -3.580) 6.054 4.144 ( -2.724 -1.766 2.169) 3.905 4.542 ( 3.598 -0.212 2.729) 4.521 4.652 ( -3.270 -4.821 -3.914) 7.018 4.880 ( 2.936 -3.301 -0.033) 4.417 4.987 ( 1.593 5.319 6.546) 8.583 5.651 ( 2.228 -6.000 -1.893) 6.674 6.041 ( -13.714 -1.787 -2.142) 13.995 6.620 ( -1.626 7.379 5.943) 9.613 ======================= Grid point 373 (148/344) ======================= q-point: (-0.40 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( -0.000 2.035 3.020) 3.642 2.123 ( 0.000 -1.965 -0.083) 1.967 2.742 ( -0.000 1.845 3.692) 4.127 3.880 ( 0.000 -3.158 -0.175) 3.163 3.999 ( -0.000 -0.729 1.872) 2.009 4.040 ( 0.000 -0.287 -0.047) 0.291 4.451 ( -0.000 0.509 2.213) 2.271 5.087 ( 0.000 -3.146 -1.483) 3.478 5.159 ( 0.000 -1.395 -0.274) 1.422 5.699 ( -0.000 4.669 0.484) 4.694 5.714 ( 0.000 0.033 -1.724) 1.724 7.568 ( 0.000 4.771 -4.092) 6.285 ======================= Grid point 374 (149/344) ======================= q-point: (-0.33 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( 0.189 1.138 3.417) 3.606 2.170 ( 8.791 -4.693 -0.507) 9.978 2.786 ( 0.756 2.023 3.800) 4.371 3.878 ( 4.473 -4.226 0.679) 6.191 3.951 ( -2.507 -1.401 -1.070) 3.065 4.135 ( 8.085 1.605 1.630) 8.402 4.462 ( -0.370 0.533 2.456) 2.540 5.009 ( -1.447 -7.604 -2.547) 8.149 5.135 ( -1.843 -1.239 1.807) 2.862 5.687 ( -1.358 0.441 -1.577) 2.128 5.811 ( 4.689 6.506 0.867) 8.067 7.532 ( -8.824 5.544 -3.035) 10.854 ======================= Grid point 375 (150/344) ======================= q-point: (-0.27 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( 0.604 -0.871 2.914) 3.101 2.281 ( 11.587 -9.122 -1.327) 14.806 2.817 ( 0.521 0.091 2.124) 2.188 3.892 ( 0.815 -3.996 -3.637) 5.464 3.966 ( 6.621 -0.978 3.829) 7.711 4.325 ( 10.463 3.352 1.337) 11.068 4.465 ( -0.517 0.229 2.646) 2.706 4.901 ( -0.632 -8.713 -1.595) 8.880 5.083 ( -3.511 -1.892 2.853) 4.903 5.656 ( -0.888 -1.647 -2.399) 3.042 5.980 ( 5.581 9.090 1.790) 10.816 7.361 ( -16.595 4.938 -1.398) 17.371 ======================= Grid point 376 (151/344) ======================= q-point: (-0.20 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( 1.425 -2.313 2.291) 3.554 2.336 ( 8.229 -13.913 -1.185) 16.208 2.836 ( 2.641 -1.117 -0.407) 2.896 3.867 ( 2.015 -2.972 -4.029) 5.397 4.091 ( 6.537 -1.594 4.730) 8.225 4.449 ( 0.747 0.758 0.716) 1.283 4.556 ( 8.777 2.157 1.126) 9.108 4.822 ( 1.193 -7.545 -0.158) 7.640 5.013 ( -3.594 -1.325 4.097) 5.609 5.610 ( -0.218 -3.610 -3.025) 4.715 6.162 ( 3.596 9.628 1.866) 10.445 7.084 ( -20.601 3.811 1.925) 21.038 ======================= Grid point 377 (152/344) ======================= q-point: (-0.13 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( 2.198 -2.350 1.904) 3.739 2.285 ( 3.612 -15.217 -0.194) 15.641 2.892 ( 5.766 -1.233 -1.755) 6.152 3.874 ( 3.573 -2.711 -3.701) 5.815 4.146 ( 0.830 -3.147 3.221) 4.579 4.491 ( 3.261 0.686 0.979) 3.473 4.617 ( 0.188 -5.828 -2.867) 6.497 4.809 ( 2.186 -2.715 0.047) 3.486 5.019 ( 2.376 3.034 5.716) 6.894 5.564 ( 0.660 -4.390 -2.894) 5.299 6.233 ( -7.185 5.525 -0.485) 9.076 6.837 ( -13.172 5.636 8.827) 16.829 ======================= Grid point 389 (153/344) ======================= q-point: (-0.33 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( -0.000 -0.405 3.676) 3.698 2.037 ( 0.000 -6.953 -0.254) 6.958 2.818 ( -0.000 1.806 4.528) 4.875 3.786 ( -0.000 -5.876 0.079) 5.876 4.023 ( -0.000 2.442 0.869) 2.592 4.026 ( 0.000 -1.062 -0.258) 1.093 4.479 ( -0.000 0.416 2.219) 2.258 4.915 ( 0.000 -11.339 -3.112) 11.758 5.144 ( -0.000 -1.757 2.412) 2.984 5.692 ( 0.000 -1.230 -1.234) 1.742 5.865 ( -0.000 11.590 1.530) 11.690 7.656 ( 0.000 6.530 -3.165) 7.256 ======================= Grid point 390 (154/344) ======================= q-point: (-0.27 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( -0.290 -3.274 2.890) 4.377 2.021 ( 7.279 -10.399 -0.868) 12.723 2.829 ( -0.986 -1.480 3.673) 4.081 3.773 ( 4.555 -5.767 -0.071) 7.349 3.952 ( -2.295 0.437 0.815) 2.475 4.182 ( 10.007 2.737 0.519) 10.388 4.483 ( -0.484 -0.091 1.824) 1.889 4.793 ( 0.448 -11.826 -2.122) 12.023 5.117 ( -1.840 -2.314 2.633) 3.958 5.657 ( -1.745 -1.743 -1.538) 2.907 6.025 ( 3.190 13.645 2.425) 14.221 7.629 ( -9.410 6.234 -2.867) 11.646 ======================= Grid point 391 (155/344) ======================= q-point: (-0.20 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( 1.061 -5.333 2.034) 5.805 2.041 ( 9.310 -14.378 -1.628) 17.207 2.791 ( -0.108 -4.919 1.795) 5.238 3.785 ( 2.815 -4.393 -2.400) 5.743 3.989 ( 5.187 -0.497 3.969) 6.550 4.388 ( 9.323 2.340 -0.318) 9.617 4.482 ( 0.941 0.275 1.539) 1.824 4.702 ( 2.310 -9.901 -1.053) 10.221 5.062 ( -2.904 -2.283 2.930) 4.715 5.596 ( -2.272 -2.128 -2.181) 3.801 6.229 ( 3.292 14.020 3.579) 14.839 7.449 ( -17.158 4.907 -0.994) 17.873 ======================= Grid point 392 (156/344) ======================= q-point: (-0.13 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( 3.198 -5.566 1.706) 6.642 2.031 ( 7.852 -16.369 -1.278) 18.200 2.774 ( 4.272 -5.457 0.483) 6.947 3.782 ( 2.733 -3.308 -2.943) 5.203 4.081 ( 4.565 -3.141 3.624) 6.621 4.448 ( 2.112 -1.641 -0.489) 2.719 4.541 ( 1.282 -3.714 0.404) 3.950 4.717 ( 7.070 -1.344 -3.138) 7.851 5.021 ( -0.273 -1.009 3.947) 4.083 5.537 ( -1.586 -1.262 -1.768) 2.690 6.392 ( -1.874 11.715 2.689) 12.165 7.185 ( -18.406 4.356 5.056) 19.579 ======================= Grid point 405 (157/344) ======================= q-point: (-0.27 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( -0.000 -6.854 2.148) 7.183 1.844 ( 0.000 -12.697 -0.869) 12.727 2.821 ( -0.000 -5.812 3.625) 6.850 3.676 ( -0.000 -5.467 0.800) 5.525 4.002 ( -0.000 -1.233 0.320) 1.274 4.096 ( 0.000 4.035 -0.045) 4.035 4.490 ( -0.000 -0.718 1.281) 1.468 4.668 ( 0.000 -11.220 -0.722) 11.243 5.117 ( -0.000 -2.669 2.148) 3.426 5.652 ( 0.000 -2.197 -0.286) 2.216 6.153 ( -0.000 16.652 1.935) 16.764 7.760 ( 0.000 6.614 -4.292) 7.884 ======================= Grid point 406 (158/344) ======================= q-point: (-0.20 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( 0.606 -9.504 1.178) 9.596 1.759 ( 6.017 -15.644 -1.414) 16.821 2.736 ( -0.924 -11.167 2.066) 11.394 3.672 ( 4.157 -4.684 0.233) 6.266 3.958 ( -1.117 -0.828 1.436) 1.999 4.242 ( 10.251 2.827 -0.558) 10.648 4.477 ( -0.024 -2.398 1.173) 2.670 4.584 ( 0.607 -7.299 0.872) 7.376 5.084 ( -1.499 -2.611 1.692) 3.454 5.612 ( -1.967 -1.984 -0.297) 2.810 6.347 ( 2.012 17.360 2.766) 17.694 7.721 ( -9.824 5.851 -4.499) 12.287 ======================= Grid point 407 (159/344) ======================= q-point: (-0.13 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( 3.501 -10.059 0.734) 10.676 1.719 ( 8.729 -17.336 -1.795) 19.492 2.632 ( 3.115 -13.029 1.333) 13.462 3.692 ( 3.146 -3.844 -1.558) 5.206 3.979 ( 4.166 -2.839 2.241) 5.517 4.382 ( 2.723 -3.374 0.925) 4.434 4.514 ( 6.008 2.135 -0.221) 6.380 4.547 ( 3.110 -4.481 -1.179) 5.581 5.038 ( -1.736 -1.940 1.965) 3.261 5.562 ( -2.083 -0.245 -0.483) 2.152 6.548 ( 0.345 15.902 3.633) 16.315 7.532 ( -16.377 4.451 -1.034) 17.003 ======================= Grid point 421 (160/344) ======================= q-point: (-0.20 -0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( -0.000 -13.125 0.360) 13.130 1.542 ( 0.000 -17.485 -1.430) 17.543 2.602 ( -0.000 -18.715 0.155) 18.716 3.595 ( -0.000 -3.742 1.398) 3.994 3.988 ( -0.000 -0.653 1.186) 1.353 4.143 ( 0.000 0.849 -1.334) 1.581 4.436 ( -0.000 -6.749 3.667) 7.681 4.556 ( -0.000 -0.064 1.401) 1.402 5.075 ( -0.000 -2.473 0.472) 2.518 5.609 ( -0.000 -2.426 1.024) 2.633 6.515 ( -0.000 18.818 2.473) 18.980 7.843 ( 0.000 6.205 -7.514) 9.745 ======================= Grid point 422 (161/344) ======================= q-point: (-0.13 -0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( 2.552 -14.481 -0.252) 14.707 1.413 ( 5.908 -18.730 -1.684) 19.712 2.412 ( 2.871 -22.585 -0.849) 22.783 3.598 ( 3.129 -3.173 0.557) 4.491 3.942 ( -1.992 -1.583 1.360) 2.885 4.258 ( 10.027 -0.366 -2.068) 10.245 4.388 ( 1.287 -7.223 5.159) 8.968 4.564 ( -1.023 2.151 0.719) 2.488 5.046 ( -0.895 -1.711 0.000) 1.931 5.583 ( -0.949 -1.315 1.073) 1.944 6.715 ( 0.739 17.954 3.982) 18.405 7.787 ( -9.762 5.333 -7.737) 13.550 ======================= Grid point 437 (162/344) ======================= q-point: (-0.13 -0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( 0.000 -19.932 -1.433) 19.984 1.168 ( 0.000 -17.402 -0.743) 17.418 2.119 ( 0.000 -29.354 -3.232) 29.531 3.549 ( -0.000 -2.181 1.696) 2.763 3.991 ( -0.000 -0.146 1.243) 1.251 4.115 ( 0.000 -2.344 -1.507) 2.787 4.333 ( -0.000 -8.011 7.811) 11.189 4.600 ( 0.000 2.875 -0.490) 2.917 5.038 ( 0.000 -0.832 -0.888) 1.217 5.578 ( -0.000 -1.915 2.354) 3.035 6.897 ( -0.000 17.431 6.154) 18.486 7.890 ( 0.000 5.956 -13.231) 14.510 ======================= Grid point 486 (163/344) ======================= q-point: ( 0.13 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.398 ( -0.000 0.000 17.873) 17.873 0.398 ( -0.000 0.000 17.873) 17.873 0.692 ( -0.000 0.000 31.786) 31.786 3.514 ( 0.000 -0.000 -0.029) 0.029 3.514 ( 0.000 -0.000 -0.029) 0.029 3.960 ( 0.000 -0.000 -3.090) 3.090 3.960 ( 0.000 -0.000 -3.090) 3.090 4.994 ( 0.000 -0.000 -7.065) 7.065 5.572 ( -0.000 0.000 2.162) 2.162 5.572 ( -0.000 0.000 2.162) 2.162 6.038 ( -0.000 0.000 2.518) 2.518 9.448 ( -0.000 0.000 0.581) 0.581 ======================= Grid point 487 (164/344) ======================= q-point: ( 0.20 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.585 ( 10.376 5.991 14.173) 18.559 0.607 ( 10.793 6.231 13.033) 18.033 1.042 ( 19.092 11.023 18.795) 28.970 3.538 ( 1.398 0.807 0.423) 1.669 3.697 ( 10.340 5.970 -7.756) 14.238 3.946 ( 0.047 0.027 -3.195) 3.196 4.056 ( 9.958 5.749 -3.361) 11.979 4.905 ( -5.925 -3.421 -3.404) 7.642 5.186 ( -11.401 -6.582 12.314) 18.026 5.628 ( 1.917 1.107 3.141) 3.843 6.615 ( 24.356 14.062 -21.139) 35.183 8.851 ( -37.763 -21.803 23.251) 49.417 ======================= Grid point 488 (165/344) ======================= q-point: ( 0.27 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( 12.183 7.034 8.133) 16.249 0.922 ( 13.655 7.884 8.066) 17.711 1.562 ( 22.491 12.985 6.414) 26.750 3.580 ( 2.094 1.209 0.924) 2.589 3.876 ( 8.768 5.062 -3.584) 10.740 3.942 ( 0.561 0.324 -2.985) 3.054 4.331 ( 14.289 8.250 -1.841) 16.602 4.764 ( -5.850 -3.378 1.667) 6.958 5.067 ( -4.319 -2.494 3.929) 6.349 5.668 ( 0.606 0.350 2.483) 2.580 6.891 ( 8.509 4.913 -18.970) 21.363 8.140 ( -33.345 -19.252 17.513) 42.299 ======================= Grid point 489 (166/344) ======================= q-point: ( 0.33 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( 11.735 6.775 2.221) 13.731 1.255 ( 14.027 8.098 4.493) 16.808 2.060 ( 20.980 12.113 -0.085) 24.226 3.639 ( 2.908 1.679 1.455) 3.660 3.951 ( 1.123 0.648 -2.540) 2.852 4.076 ( 9.205 5.315 1.482) 10.732 4.610 ( 4.331 2.501 -2.722) 5.694 4.700 ( 5.485 3.167 7.282) 9.651 4.980 ( -4.256 -2.457 -0.628) 4.954 5.668 ( -1.152 -0.665 0.831) 1.569 6.921 ( 0.442 0.255 -14.884) 14.893 7.459 ( -31.715 -18.311 6.235) 37.148 ======================= Grid point 490 (167/344) ======================= q-point: ( 0.40 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( 9.819 5.669 -2.026) 11.518 1.565 ( 12.594 7.271 1.995) 14.679 2.485 ( 17.330 10.005 -2.174) 20.129 3.719 ( 3.670 2.119 1.713) 4.571 3.973 ( 1.471 0.849 -1.761) 2.447 4.280 ( 7.835 4.523 5.133) 10.401 4.575 ( -2.191 -1.265 1.897) 3.162 4.870 ( -4.359 -2.517 -2.360) 5.559 4.977 ( 11.558 6.673 3.841) 13.888 5.627 ( -2.372 -1.369 -0.630) 2.810 6.770 ( -29.283 -16.907 3.873) 34.035 6.853 ( -2.699 -1.558 -17.846) 18.116 ======================= Grid point 491 (168/344) ======================= q-point: ( 0.47 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( 6.812 3.933 -3.894) 8.777 1.821 ( 9.833 5.677 0.605) 11.370 2.808 ( 12.214 7.052 -2.361) 14.300 3.809 ( 3.758 2.170 1.220) 4.508 4.002 ( 1.444 0.834 -0.583) 1.767 4.451 ( 5.169 2.984 7.719) 9.757 4.540 ( -1.756 -1.014 0.762) 2.166 4.781 ( -1.545 -0.892 -4.479) 4.822 5.205 ( 7.085 4.091 2.797) 8.646 5.569 ( -2.370 -1.368 -0.830) 2.859 6.140 ( -24.905 -14.379 -5.584) 29.295 6.781 ( -0.462 -0.267 -7.329) 7.348 ======================= Grid point 492 (169/344) ======================= q-point: ( 0.53 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( 3.843 2.219 -3.772) 5.824 2.003 ( 6.299 3.637 0.140) 7.275 3.005 ( 6.365 3.675 -3.760) 8.255 3.885 ( 2.777 1.603 0.070) 3.207 4.029 ( 0.814 0.470 0.590) 1.109 4.451 ( -4.649 -2.684 0.081) 5.369 4.582 ( 3.005 1.735 2.261) 4.142 4.809 ( 5.103 2.946 -0.769) 5.942 5.266 ( -3.182 -1.837 -2.673) 4.544 5.527 ( -1.137 -0.657 0.509) 1.409 5.698 ( -11.191 -6.461 -2.502) 13.162 6.793 ( 2.687 1.552 0.982) 3.255 ======================= Grid point 493 (170/344) ======================= q-point: ( 0.60 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( 2.091 1.207 -2.771) 3.675 2.100 ( 2.361 1.363 0.179) 2.732 3.069 ( 1.346 0.777 -6.664) 6.843 3.927 ( 0.962 0.555 -0.892) 1.424 4.036 ( -0.420 -0.242 0.986) 1.099 4.339 ( -4.218 -2.435 -4.849) 6.873 4.614 ( -0.072 -0.042 -0.845) 0.849 4.973 ( 7.988 4.612 2.599) 9.583 5.099 ( -7.114 -4.107 -2.951) 8.728 5.526 ( 0.541 0.313 2.531) 2.607 5.603 ( -0.370 -0.214 1.682) 1.735 6.903 ( 5.497 3.174 8.713) 10.780 ======================= Grid point 494 (171/344) ======================= q-point: (-0.33 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( 1.229 0.710 -1.522) 2.081 2.107 ( -1.818 -1.050 0.454) 2.148 3.040 ( -1.192 -0.688 -7.497) 7.622 3.911 ( -2.199 -1.270 -1.531) 2.966 4.025 ( -0.606 -0.350 0.692) 0.984 4.240 ( -2.545 -1.469 -7.501) 8.056 4.591 ( -1.080 -0.624 -2.551) 2.840 4.949 ( -5.563 -3.212 2.983) 7.082 5.160 ( 5.658 3.267 -0.533) 6.555 5.563 ( 1.544 0.891 3.794) 4.192 5.648 ( 4.585 2.647 2.796) 5.987 7.089 ( 7.302 4.216 14.263) 16.569 ======================= Grid point 495 (172/344) ======================= q-point: (-0.27 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( -1.410 -0.814 -0.474) 1.696 2.019 ( -6.374 -3.680 0.744) 7.397 2.977 ( -2.652 -1.531 -4.523) 5.462 3.825 ( -4.598 -2.655 -2.075) 5.701 4.017 ( -0.339 -0.196 0.202) 0.441 4.177 ( -0.743 -0.429 -7.735) 7.782 4.556 ( -1.346 -0.777 -2.030) 2.557 4.832 ( -5.944 -3.432 1.561) 7.039 5.198 ( -1.332 -0.769 -1.573) 2.199 5.609 ( 1.258 0.726 3.382) 3.681 5.854 ( 12.566 7.255 2.189) 14.675 7.314 ( 7.752 4.475 16.798) 19.034 ======================= Grid point 496 (173/344) ======================= q-point: (-0.20 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( -6.725 -3.883 -0.301) 7.771 1.826 ( -11.227 -6.482 0.786) 12.988 2.865 ( -7.691 -4.440 -0.452) 8.892 3.711 ( -4.613 -2.663 -2.357) 5.825 4.009 ( -0.387 -0.223 -0.281) 0.528 4.150 ( 0.103 0.060 -4.812) 4.813 4.519 ( -1.337 -0.772 -1.206) 1.959 4.697 ( -5.589 -3.227 -3.656) 7.417 5.136 ( -3.246 -1.874 0.092) 3.749 5.633 ( 0.009 0.005 1.469) 1.469 6.183 ( 16.071 9.279 -0.914) 18.580 7.538 ( 6.921 3.996 16.322) 18.173 ======================= Grid point 497 (174/344) ======================= q-point: (-0.13 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( -11.874 -6.856 -0.313) 13.715 1.531 ( -15.289 -8.827 0.743) 17.669 2.593 ( -17.286 -9.980 1.758) 20.037 3.613 ( -3.313 -1.913 -2.173) 4.399 3.999 ( -0.305 -0.176 -0.760) 0.837 4.139 ( -0.453 -0.262 -0.485) 0.714 4.476 ( -3.205 -1.850 -3.462) 5.068 4.585 ( -1.666 -0.962 -4.573) 4.962 5.072 ( -2.520 -1.455 1.083) 3.105 5.619 ( -1.268 -0.732 -0.893) 1.715 6.547 ( 17.074 9.858 -3.605) 20.042 7.730 ( 5.511 3.182 14.052) 15.426 ======================= Grid point 502 (175/344) ======================= q-point: ( 0.20 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.611 ( -0.000 10.311 12.823) 16.454 0.670 ( -0.000 11.861 15.671) 19.654 1.126 ( -0.000 21.138 18.953) 28.391 3.501 ( 0.000 -0.220 -0.226) 0.315 3.711 ( 0.000 14.311 -6.272) 15.625 3.941 ( 0.000 0.259 -3.662) 3.671 3.990 ( 0.000 4.758 -2.457) 5.355 4.889 ( 0.000 -5.534 -5.532) 7.825 5.247 ( -0.000 -15.565 13.250) 20.441 5.543 ( -0.000 -1.824 1.324) 2.253 6.599 ( 0.000 28.564 -14.875) 32.205 8.963 ( -0.000 -36.126 17.367) 40.084 ======================= Grid point 503 (176/344) ======================= q-point: ( 0.27 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( 7.635 11.518 9.966) 17.037 0.891 ( 6.005 12.130 11.781) 17.944 1.482 ( 9.995 22.013 8.908) 25.765 3.539 ( 3.632 0.155 0.193) 3.640 3.812 ( 1.575 7.014 -3.549) 8.017 3.961 ( 0.865 5.115 -4.240) 6.700 4.152 ( 13.085 6.123 -2.272) 14.624 4.790 ( -2.717 -5.874 -2.013) 6.777 5.124 ( -4.229 -5.895 6.840) 9.970 5.593 ( 5.340 -3.577 1.502) 6.601 6.808 ( 4.037 13.101 -13.798) 19.451 8.481 ( -23.285 -27.041 15.637) 38.961 ======================= Grid point 504 (177/344) ======================= q-point: ( 0.33 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( 7.403 10.080 6.391) 14.045 1.179 ( 9.921 12.679 6.319) 17.295 1.906 ( 14.427 18.719 0.968) 23.654 3.611 ( 3.428 1.739 0.828) 3.931 3.890 ( 4.072 0.371 -1.215) 4.265 4.051 ( 3.268 9.396 -1.585) 10.073 4.458 ( 15.335 6.039 -2.041) 16.607 4.695 ( -1.617 -4.559 2.013) 5.239 5.028 ( -4.308 -3.246 1.346) 5.559 5.629 ( 2.713 -3.937 0.765) 4.842 6.872 ( 0.487 2.406 -11.549) 11.807 7.843 ( -30.386 -19.474 7.886) 36.943 ======================= Grid point 505 (178/344) ======================= q-point: ( 0.40 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( 7.423 8.057 0.803) 10.985 1.487 ( 9.800 12.672 3.486) 16.394 2.314 ( 15.295 14.193 -1.981) 20.959 3.693 ( 3.242 2.996 1.287) 4.598 3.945 ( 2.606 1.001 -1.883) 3.367 4.227 ( 6.778 7.444 2.999) 10.505 4.586 ( -0.508 -2.059 -0.411) 2.160 4.820 ( 14.270 3.092 3.835) 15.096 4.919 ( -5.133 -2.445 -2.620) 6.260 5.615 ( 0.054 -3.835 0.121) 3.837 6.817 ( -1.428 -3.232 -8.335) 9.053 7.163 ( -32.908 -13.438 -0.984) 35.560 ======================= Grid point 506 (179/344) ======================= q-point: ( 0.47 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( 6.485 5.719 -2.720) 9.064 1.762 ( 7.807 11.662 1.668) 14.133 2.663 ( 13.203 9.585 -2.114) 16.451 3.784 ( 3.193 3.643 1.243) 5.001 3.989 ( 1.747 2.031 -1.516) 3.078 4.415 ( 6.344 5.361 4.676) 9.531 4.557 ( -0.847 -2.109 2.787) 3.596 4.802 ( -4.379 -1.182 -5.165) 6.874 5.071 ( 11.703 -0.072 0.482) 11.713 5.571 ( -1.143 -2.667 0.774) 3.003 6.500 ( -31.170 -8.951 -3.640) 32.634 6.744 ( -0.306 -2.732 -6.612) 7.160 ======================= Grid point 507 (180/344) ======================= q-point: ( 0.53 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( 4.588 3.454 -3.747) 6.858 1.978 ( 4.822 9.964 0.798) 11.098 2.910 ( 8.466 5.247 -2.755) 10.334 3.871 ( 2.383 3.806 0.436) 4.512 4.030 ( 0.936 2.226 -0.344) 2.439 4.503 ( -3.287 -2.425 -1.303) 4.288 4.565 ( 2.836 3.464 5.723) 7.266 4.761 ( 2.208 1.963 -3.369) 4.481 5.178 ( 5.318 -6.986 -4.066) 9.676 5.552 ( -0.468 0.970 2.559) 2.776 5.962 ( -24.178 -0.938 -4.677) 24.645 6.738 ( 3.816 -2.259 1.283) 4.617 ======================= Grid point 508 (181/344) ======================= q-point: ( 0.60 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( 2.769 1.882 -3.326) 4.719 2.117 ( 1.198 7.974 0.633) 8.089 3.022 ( 2.856 1.598 -5.347) 6.269 3.935 ( 0.786 3.771 -0.545) 3.890 4.051 ( -0.697 0.994 0.412) 1.281 4.394 ( -5.498 -0.775 -4.398) 7.083 4.615 ( -0.157 0.685 -0.181) 0.726 4.886 ( 8.014 4.395 1.331) 9.236 5.107 ( -1.384 -8.256 -3.670) 9.141 5.585 ( -0.218 4.267 2.981) 5.210 5.674 ( -10.616 2.396 -0.437) 10.891 6.834 ( 7.362 -1.073 8.098) 10.997 ======================= Grid point 509 (182/344) ======================= q-point: (-0.33 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( 1.861 1.078 -2.441) 3.253 2.174 ( -2.880 5.919 0.868) 6.640 3.017 ( -0.503 -0.693 -7.506) 7.554 3.960 ( -2.294 3.696 -1.054) 4.476 4.024 ( -1.253 -2.022 -0.405) 2.413 4.295 ( -5.075 2.844 -5.996) 8.354 4.594 ( -1.191 -0.517 -3.065) 3.329 5.002 ( -3.232 -4.318 1.903) 5.719 5.074 ( 8.075 3.449 0.912) 8.828 5.588 ( -3.273 1.656 2.646) 4.523 5.655 ( 1.699 5.515 2.504) 6.290 7.009 ( 9.843 -0.561 12.696) 16.075 ======================= Grid point 510 (183/344) ======================= q-point: (-0.27 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( 0.643 -0.104 -1.499) 1.635 2.138 ( -7.415 3.522 1.210) 8.298 2.964 ( -0.878 -2.020 -6.296) 6.670 3.896 ( -5.854 -0.436 -1.101) 5.972 4.005 ( 0.185 0.061 -2.100) 2.109 4.239 ( -4.600 6.188 -5.509) 9.477 4.558 ( -0.984 -0.830 -2.828) 3.108 4.907 ( -5.429 -3.357 3.194) 7.138 5.180 ( 2.161 -0.468 -1.232) 2.531 5.587 ( 1.039 -0.962 3.845) 4.098 5.800 ( 6.179 10.086 1.714) 11.952 7.228 ( 11.107 -0.869 14.580) 18.349 ======================= Grid point 511 (184/344) ======================= q-point: (-0.20 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( -3.348 -2.462 -1.036) 4.283 1.997 ( -12.274 0.293 1.264) 12.342 2.900 ( -2.451 -3.788 -2.826) 5.324 3.783 ( -6.044 -0.896 -1.179) 6.223 3.999 ( -0.546 0.584 -2.614) 2.734 4.222 ( -3.825 8.220 -3.566) 9.743 4.524 ( -1.021 -1.177 -1.768) 2.357 4.768 ( -7.630 -3.694 0.030) 8.477 5.155 ( -1.647 -2.590 -1.123) 3.268 5.609 ( 1.637 -2.420 2.855) 4.085 6.058 ( 11.109 11.920 -0.693) 16.308 7.451 ( 10.939 -1.955 13.651) 17.602 ======================= Grid point 512 (185/344) ======================= q-point: (-0.13 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( -9.064 -4.534 -0.795) 10.166 1.746 ( -16.558 -2.889 1.166) 16.848 2.748 ( -10.120 -6.735 -0.392) 12.163 3.677 ( -5.561 0.198 -0.924) 5.640 3.977 ( -1.013 -0.695 -2.060) 2.398 4.240 ( -3.684 9.220 -0.185) 9.931 4.491 ( -1.334 -1.132 -1.390) 2.234 4.607 ( -5.636 -3.144 -3.616) 7.398 5.094 ( -2.043 -2.494 -0.211) 3.231 5.608 ( 0.471 -2.719 0.622) 2.829 6.377 ( 14.080 11.303 -2.930) 18.292 7.641 ( 9.906 -3.640 10.677) 15.013 ======================= Grid point 518 (186/344) ======================= q-point: ( 0.27 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( -0.000 14.715 7.892) 16.698 1.010 ( -0.000 12.268 12.662) 17.631 1.670 ( -0.000 25.254 5.709) 25.891 3.506 ( -0.000 0.744 0.142) 0.758 3.922 ( 0.000 0.612 -3.557) 3.609 3.935 ( 0.000 13.192 -4.240) 13.857 4.090 ( 0.000 6.055 -0.226) 6.059 4.741 ( 0.000 -6.390 -2.372) 6.816 5.120 ( -0.000 -6.426 5.721) 8.604 5.528 ( -0.000 -0.360 0.836) 0.911 6.853 ( 0.000 7.560 -8.463) 11.348 8.449 ( -0.000 -27.544 9.830) 29.246 ======================= Grid point 519 (187/344) ======================= q-point: ( 0.33 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( 4.250 13.940 6.824) 16.092 1.197 ( 4.966 12.171 8.076) 15.428 1.958 ( 4.581 23.319 0.080) 23.765 3.558 ( 4.363 1.539 0.513) 4.655 3.878 ( -1.571 2.400 -1.192) 3.106 4.098 ( 2.103 10.442 -2.805) 11.014 4.256 ( 12.923 5.343 0.099) 13.984 4.668 ( -0.820 -5.503 -0.501) 5.587 5.059 ( -2.645 -3.975 1.760) 5.088 5.555 ( 2.497 -0.871 0.713) 2.739 6.854 ( -0.606 -1.972 -5.445) 5.822 8.080 ( -17.345 -20.457 3.121) 27.001 ======================= Grid point 520 (188/344) ======================= q-point: ( 0.40 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( 3.090 9.585 3.388) 10.626 1.481 ( 8.977 14.687 4.378) 17.761 2.263 ( 8.212 18.335 -2.719) 20.274 3.663 ( 4.738 3.109 0.817) 5.725 3.904 ( 2.221 1.654 -0.781) 2.877 4.228 ( 3.414 8.847 0.778) 9.515 4.520 ( 9.376 1.654 -2.495) 9.842 4.640 ( 5.817 -2.466 3.647) 7.295 4.969 ( -4.346 -2.347 -1.959) 5.313 5.579 ( 1.015 -1.338 1.067) 1.990 6.764 ( -1.313 -9.369 -2.955) 9.911 7.546 ( -26.758 -11.503 -4.248) 29.434 ======================= Grid point 521 (189/344) ======================= q-point: ( 0.47 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( 3.803 7.031 -0.907) 8.045 1.778 ( 7.472 14.881 2.793) 16.885 2.560 ( 10.289 12.514 -2.199) 16.349 3.773 ( 3.629 4.423 1.159) 5.838 3.962 ( 2.990 1.893 -1.572) 3.873 4.386 ( 5.253 6.598 2.735) 8.866 4.546 ( 0.569 -2.082 1.409) 2.578 4.843 ( 12.714 -2.283 0.371) 12.923 4.860 ( -4.864 -0.269 -5.488) 7.338 5.576 ( -0.599 -0.422 2.481) 2.587 6.632 ( -0.796 -13.858 2.054) 14.032 6.976 ( -29.040 -1.355 -11.239) 31.169 ======================= Grid point 522 (190/344) ======================= q-point: ( 0.53 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( 3.726 4.649 -2.846) 6.603 2.026 ( 4.451 14.132 1.725) 14.917 2.815 ( 8.935 7.361 -1.421) 11.663 3.875 ( 2.628 4.941 0.991) 5.683 4.026 ( 2.449 2.667 -1.109) 3.786 4.487 ( 1.222 -1.383 -0.840) 2.027 4.588 ( 2.741 4.176 5.697) 7.577 4.769 ( -3.016 1.705 -5.170) 6.223 4.970 ( 8.359 -7.336 -4.849) 12.133 5.582 ( -0.430 1.637 3.356) 3.759 6.360 ( -22.515 -4.356 -1.233) 22.966 6.658 ( -1.095 -2.328 -3.659) 4.473 ======================= Grid point 523 (191/344) ======================= q-point: ( 0.60 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( 2.824 2.852 -3.035) 5.032 2.207 ( 0.984 12.709 1.459) 12.830 2.972 ( 4.242 3.137 -2.657) 5.907 3.958 ( 1.312 4.754 -0.092) 4.932 4.078 ( 0.222 2.697 0.376) 2.732 4.444 ( -2.439 -1.297 -3.978) 4.843 4.645 ( -2.154 2.410 0.165) 3.237 4.812 ( 5.666 4.393 -0.282) 7.175 4.976 ( 4.843 -8.712 -3.990) 10.736 5.616 ( 0.701 2.808 2.154) 3.608 5.983 ( -20.188 4.587 -2.104) 20.809 6.702 ( 7.825 -4.571 6.258) 11.013 ======================= Grid point 524 (192/344) ======================= q-point: ( 0.67 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( 1.859 1.823 -2.548) 3.643 2.312 ( -2.857 11.052 1.821) 11.560 3.001 ( -0.524 0.072 -5.004) 5.032 4.004 ( -0.020 2.272 -1.840) 2.924 4.070 ( -3.818 2.119 0.993) 4.478 4.386 ( -3.301 3.715 -5.564) 7.460 4.605 ( -2.322 -0.039 -3.936) 4.570 4.960 ( 3.892 -2.793 -0.551) 4.822 4.982 ( 6.603 1.239 2.520) 7.176 5.661 ( -0.141 2.312 0.078) 2.318 5.778 ( -10.188 7.095 2.499) 12.664 6.847 ( 11.004 -4.749 10.452) 15.903 ======================= Grid point 525 (193/344) ======================= q-point: (-0.27 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( 1.065 0.937 -1.958) 2.417 2.333 ( -7.432 8.934 2.384) 11.863 2.945 ( -1.949 -1.893 -5.738) 6.349 3.954 ( -3.488 -3.643 -1.144) 5.172 4.053 ( -3.141 6.379 -1.664) 7.302 4.365 ( -3.735 7.311 -4.715) 9.468 4.558 ( -1.358 -0.492 -3.632) 3.909 4.947 ( -1.275 -3.065 2.594) 4.213 5.115 ( 4.876 0.090 -0.071) 4.878 5.621 ( -4.006 0.603 2.153) 4.587 5.824 ( 2.642 9.223 1.705) 9.744 7.038 ( 12.941 -5.633 11.533) 18.226 ======================= Grid point 526 (194/344) ======================= q-point: (-0.20 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( -1.078 -0.573 -1.560) 1.981 2.241 ( -12.776 5.117 2.200) 13.937 2.881 ( -1.092 -2.747 -3.618) 4.672 3.853 ( -4.296 -2.526 0.129) 4.985 4.053 ( -3.214 6.078 -3.732) 7.823 4.366 ( -3.860 8.879 -2.890) 10.104 4.522 ( -1.069 -0.634 -2.360) 2.667 4.863 ( -6.445 -3.036 1.878) 7.367 5.133 ( 0.292 -3.055 -1.890) 3.605 5.588 ( -0.950 -1.590 3.628) 4.073 6.013 ( 7.649 11.032 -1.136) 13.473 7.239 ( 13.659 -7.203 9.876) 18.330 ======================= Grid point 527 (195/344) ======================= q-point: (-0.13 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( -5.487 -1.970 -1.336) 5.981 2.024 ( -17.024 0.820 1.608) 17.120 2.808 ( -4.108 -3.398 -1.498) 5.538 3.766 ( -4.670 -0.610 1.140) 4.846 4.032 ( -4.017 4.583 -3.932) 7.253 4.388 ( -3.051 8.315 -0.373) 8.865 4.497 ( -0.835 0.659 -1.186) 1.593 4.697 ( -9.211 -3.032 -0.290) 9.702 5.087 ( -0.843 -3.215 -1.765) 3.763 5.572 ( 0.353 -2.945 2.301) 3.754 6.266 ( 10.809 10.399 -3.317) 15.362 7.412 ( 13.086 -9.283 5.941) 17.109 ======================= Grid point 534 (196/344) ======================= q-point: ( 0.33 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( -0.000 16.194 4.412) 16.784 1.298 ( -0.000 9.935 7.584) 12.499 2.151 ( 0.000 22.922 -2.590) 23.068 3.534 ( -0.000 2.002 0.747) 2.137 3.921 ( 0.000 1.575 -2.428) 2.894 4.170 ( 0.000 12.822 -0.126) 12.823 4.200 ( -0.000 4.024 2.577) 4.778 4.622 ( 0.000 -4.729 -0.341) 4.741 5.049 ( -0.000 -3.270 0.125) 3.272 5.542 ( -0.000 1.396 0.348) 1.438 6.791 ( 0.000 -10.055 -1.920) 10.237 8.041 ( 0.000 -16.812 -2.971) 17.072 ======================= Grid point 535 (197/344) ======================= q-point: ( 0.40 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( 0.450 8.546 3.546) 9.264 1.503 ( 6.672 15.394 3.284) 17.096 2.358 ( 1.831 19.105 -4.145) 19.635 3.606 ( 4.922 2.981 0.797) 5.810 3.915 ( -1.062 2.286 -0.348) 2.545 4.272 ( 1.983 6.334 0.549) 6.660 4.366 ( 8.950 6.044 2.694) 11.131 4.586 ( 0.491 -2.793 1.577) 3.244 5.000 ( -2.434 -1.697 -2.546) 3.910 5.568 ( 0.771 1.521 0.525) 1.784 6.650 ( -0.608 -16.336 -0.667) 16.360 7.767 ( -14.036 -9.853 -8.215) 19.015 ======================= Grid point 536 (198/344) ======================= q-point: ( 0.47 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( 1.196 6.463 -0.280) 6.579 1.796 ( 8.886 15.091 2.440) 17.682 2.556 ( 4.582 13.770 -2.835) 14.786 3.739 ( 5.961 4.215 0.277) 7.306 3.938 ( 1.165 1.880 0.731) 2.330 4.386 ( 3.936 5.827 1.722) 7.240 4.496 ( 3.204 -2.435 -0.383) 4.042 4.657 ( 7.392 1.552 3.544) 8.343 4.923 ( -4.195 0.334 -4.864) 6.432 5.595 ( 0.158 1.619 1.900) 2.501 6.479 ( 0.896 -17.743 0.317) 17.769 7.358 ( -22.579 -2.811 -11.478) 25.485 ======================= Grid point 537 (199/344) ======================= q-point: ( 0.53 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( 2.136 4.647 -2.191) 5.564 2.084 ( 6.922 14.835 1.617) 16.450 2.755 ( 6.781 8.478 -0.632) 10.875 3.875 ( 4.380 5.410 0.292) 6.966 3.993 ( 3.123 1.676 0.909) 3.659 4.458 ( 0.169 -1.298 0.061) 1.311 4.567 ( 6.833 2.724 1.930) 7.605 4.772 ( 5.400 -2.976 -0.276) 6.172 4.842 ( -4.647 2.661 -6.109) 8.124 5.618 ( -0.431 1.967 2.591) 3.282 6.370 ( 3.741 -13.764 3.366) 14.655 6.913 ( -24.175 2.265 -11.572) 26.897 ======================= Grid point 538 (200/344) ======================= q-point: ( 0.60 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( 2.409 3.256 -2.445) 4.731 2.314 ( 3.192 14.069 1.300) 14.486 2.921 ( 5.346 4.065 -0.150) 6.717 3.983 ( 1.836 5.489 0.678) 5.828 4.078 ( 3.596 2.697 1.211) 4.655 4.427 ( -0.258 -2.704 -2.196) 3.493 4.717 ( 3.285 4.439 3.163) 6.364 4.764 ( 0.697 -3.839 -9.199) 9.992 4.812 ( 2.019 0.811 0.147) 2.181 5.639 ( 0.065 1.971 1.139) 2.278 6.305 ( -8.123 -2.109 2.627) 8.794 6.600 ( -6.204 -1.375 -3.231) 7.128 ======================= Grid point 539 (201/344) ======================= q-point: ( 0.67 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( 1.899 2.368 -2.059) 3.668 2.470 ( -0.645 12.834 1.851) 12.983 2.993 ( 0.765 0.563 -1.746) 1.988 4.032 ( -1.361 2.802 -0.625) 3.177 4.146 ( -0.282 3.343 2.497) 4.183 4.406 ( 1.003 0.434 -4.581) 4.709 4.654 ( -4.426 1.078 -7.460) 8.741 4.839 ( 6.711 -3.279 1.935) 7.716 4.903 ( 5.266 3.619 0.878) 6.450 5.672 ( 1.177 2.284 -0.304) 2.587 6.087 ( -16.813 6.441 0.183) 18.006 6.636 ( 10.210 -7.206 6.731) 14.194 ======================= Grid point 540 (202/344) ======================= q-point: (-0.27 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( 1.076 1.665 -1.679) 2.598 2.550 ( -4.960 11.252 2.900) 12.634 2.953 ( -2.909 -2.090 -3.558) 5.049 3.983 ( -4.108 -1.452 -0.822) 4.434 4.165 ( -2.618 5.247 0.677) 5.903 4.426 ( 0.888 2.569 -4.354) 5.133 4.592 ( -3.091 3.643 -5.793) 7.508 4.909 ( 3.364 -2.039 2.343) 4.579 5.025 ( 5.852 0.435 0.302) 5.876 5.698 ( -1.626 2.097 -1.245) 2.931 5.942 ( -7.515 7.310 3.039) 10.915 6.783 ( 12.901 -8.683 7.862) 17.425 ======================= Grid point 541 (203/344) ======================= q-point: (-0.20 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( -0.135 0.737 -1.520) 1.695 2.518 ( -11.528 7.004 2.853) 13.787 2.870 ( -1.870 -2.077 -2.824) 3.973 3.897 ( -3.844 -1.552 0.787) 4.219 4.165 ( -3.523 5.799 -2.445) 7.212 4.446 ( 0.199 2.062 -2.411) 3.179 4.570 ( -3.337 5.856 -3.596) 7.639 4.915 ( -1.670 -2.025 1.817) 3.193 5.077 ( 2.027 -2.902 -2.163) 4.149 5.644 ( -4.871 0.140 2.053) 5.288 6.006 ( 3.756 8.372 0.402) 9.185 6.943 ( 14.182 -10.404 5.795) 18.519 ======================= Grid point 542 (204/344) ======================= q-point: (-0.13 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( -2.627 -0.122 -1.604) 3.080 2.322 ( -16.341 0.861 1.402) 16.424 2.835 ( -1.807 0.260 -0.277) 1.846 3.833 ( -3.579 -0.190 2.327) 4.274 4.139 ( -4.256 4.628 -4.270) 7.601 4.455 ( -0.401 1.123 -0.558) 1.316 4.567 ( -3.250 6.374 -0.947) 7.217 4.819 ( -7.229 -2.047 0.301) 7.519 5.052 ( 0.372 -2.787 -3.256) 4.302 5.577 ( -2.985 -1.876 3.157) 4.732 6.185 ( 8.078 7.425 -2.284) 11.207 7.087 ( 14.277 -12.131 1.234) 18.775 ======================= Grid point 550 (205/344) ======================= q-point: ( 0.40 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( -0.000 6.567 1.290) 6.693 1.600 ( -0.000 14.921 1.777) 15.026 2.501 ( 0.000 15.997 -5.006) 16.761 3.597 ( -0.000 3.752 1.576) 4.070 3.950 ( 0.000 2.475 -0.992) 2.666 4.262 ( -0.000 -0.956 5.479) 5.562 4.413 ( -0.000 9.547 2.247) 9.808 4.573 ( -0.000 0.761 2.622) 2.730 4.999 ( 0.000 -0.333 -3.992) 4.006 5.582 ( 0.000 2.612 -0.458) 2.652 6.471 ( 0.000 -20.403 -0.847) 20.420 7.766 ( 0.000 -6.879 -11.349) 13.271 ======================= Grid point 551 (206/344) ======================= q-point: ( 0.47 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( 0.093 4.800 -1.347) 4.986 1.802 ( 6.894 13.571 1.000) 15.255 2.627 ( 1.126 11.437 -3.394) 11.983 3.685 ( 4.630 4.504 1.200) 6.570 3.962 ( -0.726 2.252 1.034) 2.582 4.313 ( 5.869 -3.135 4.679) 8.135 4.468 ( -0.192 0.757 0.293) 0.834 4.654 ( 1.745 8.480 5.124) 10.060 4.968 ( -2.222 1.640 -5.409) 6.073 5.612 ( 0.608 2.705 -0.083) 2.774 6.275 ( 1.103 -19.769 -1.582) 19.863 7.573 ( -11.558 -3.147 -12.907) 17.609 ======================= Grid point 552 (207/344) ======================= q-point: ( 0.53 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( 0.968 3.511 -2.358) 4.338 2.078 ( 9.884 12.694 0.420) 16.094 2.745 ( 3.468 6.938 -0.461) 7.771 3.827 ( 6.298 4.820 -0.294) 7.936 3.988 ( 0.687 1.702 3.756) 4.181 4.411 ( 8.099 -5.274 1.151) 9.733 4.458 ( -0.042 -0.559 1.072) 1.210 4.765 ( 0.100 7.107 2.517) 7.540 4.925 ( -3.713 3.647 -5.509) 7.579 5.647 ( 0.154 2.235 0.860) 2.400 6.151 ( 5.417 -14.769 -0.292) 15.734 7.255 ( -18.959 0.413 -12.429) 22.674 ======================= Grid point 553 (208/344) ======================= q-point: ( 0.60 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( 1.932 2.784 -1.987) 3.929 2.353 ( 8.015 12.099 -0.203) 14.514 2.871 ( 5.130 3.140 1.599) 6.224 3.977 ( 6.207 4.875 -1.381) 8.012 4.047 ( 2.207 1.972 5.450) 6.202 4.408 ( -0.658 -2.422 -1.476) 2.912 4.531 ( 8.699 -6.116 0.469) 10.644 4.820 ( -1.277 6.610 -0.179) 6.734 4.873 ( -4.555 4.077 -4.373) 7.517 5.659 ( -0.493 1.022 0.060) 1.136 6.179 ( 9.806 -8.342 3.335) 13.300 6.889 ( -21.294 2.808 -9.595) 23.524 ======================= Grid point 554 (209/344) ======================= q-point: ( 0.67 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( 2.084 2.333 -1.308) 3.390 2.567 ( 4.084 11.196 0.091) 11.918 2.965 ( 2.971 -0.052 1.171) 3.194 4.092 ( 0.007 4.875 0.599) 4.912 4.132 ( 4.921 0.671 2.999) 5.802 4.376 ( 0.000 -0.554 -1.715) 1.803 4.592 ( 6.383 -5.667 -3.914) 9.390 4.819 ( -3.178 4.535 -0.904) 5.611 4.889 ( 1.319 4.764 -0.527) 4.972 5.669 ( 0.861 1.197 -0.405) 1.529 6.292 ( 6.137 -2.778 4.346) 8.017 6.563 ( -14.958 0.637 -4.295) 15.576 ======================= Grid point 555 (210/344) ======================= q-point: ( 0.73 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( 1.407 1.829 -0.930) 2.488 2.706 ( 0.089 10.015 1.349) 10.106 2.962 ( -1.602 -3.003 -0.766) 3.489 4.065 ( -5.703 0.918 0.934) 5.851 4.208 ( 2.304 0.403 0.548) 2.402 4.397 ( 1.940 1.685 -1.566) 3.009 4.632 ( 2.206 3.205 -6.778) 7.815 4.847 ( 2.453 0.996 3.082) 4.063 4.955 ( 2.873 1.317 -0.421) 3.188 5.708 ( 1.671 2.096 -0.964) 2.848 6.215 ( -15.026 5.971 1.142) 16.209 6.510 ( 10.920 -9.443 3.288) 14.806 ======================= Grid point 556 (211/344) ======================= q-point: (-0.20 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( 0.358 1.165 -0.940) 1.539 2.750 ( -7.180 5.326 2.052) 9.172 2.877 ( -1.933 -2.205 -1.381) 3.242 3.974 ( -5.574 0.407 2.136) 5.983 4.226 ( -0.023 0.402 -2.192) 2.229 4.442 ( 0.991 2.841 -0.617) 3.072 4.665 ( -1.596 6.395 -4.846) 8.181 4.904 ( 1.786 -0.507 2.438) 3.064 4.998 ( 3.010 -2.409 -2.068) 4.375 5.726 ( -2.434 1.729 -1.190) 3.214 6.083 ( -5.725 4.253 3.616) 7.997 6.628 ( 12.647 -10.120 1.582) 16.274 ======================= Grid point 557 (212/344) ======================= q-point: (-0.13 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( -1.015 0.615 -1.275) 1.742 2.565 ( -13.180 -3.683 -0.115) 13.686 2.883 ( -1.161 4.078 1.851) 4.627 3.912 ( -4.211 1.431 3.421) 5.611 4.203 ( -1.681 -0.040 -3.431) 3.821 4.476 ( -0.420 3.421 -0.635) 3.504 4.668 ( -2.816 3.542 -0.592) 4.564 4.890 ( -3.369 -1.442 0.578) 3.710 4.998 ( 1.909 -1.418 -5.267) 5.779 5.654 ( -5.856 -0.535 1.902) 6.180 6.126 ( 4.260 2.031 1.768) 5.040 6.742 ( 12.803 -10.015 -2.747) 16.485 ======================= Grid point 566 (213/344) ======================= q-point: ( 0.47 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( 0.000 3.163 -2.797) 4.222 1.861 ( 0.000 11.255 0.049) 11.255 2.698 ( 0.000 7.225 -2.407) 7.615 3.700 ( -0.000 5.342 2.212) 5.782 3.995 ( 0.000 2.405 -0.133) 2.408 4.233 ( -0.000 -6.770 8.101) 10.558 4.471 ( -0.000 -0.725 0.291) 0.781 4.764 ( -0.000 11.611 5.332) 12.777 4.990 ( 0.000 3.245 -5.688) 6.548 5.630 ( 0.000 2.908 -1.546) 3.294 6.070 ( 0.000 -18.012 -3.037) 18.266 7.595 ( 0.000 -2.174 -13.725) 13.896 ======================= Grid point 567 (214/344) ======================= q-point: ( 0.53 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( 0.432 2.144 -2.715) 3.486 2.028 ( 7.844 9.462 -0.462) 12.299 2.755 ( 1.513 3.310 0.039) 3.639 3.791 ( 3.498 5.116 1.427) 6.360 4.012 ( -0.106 1.662 2.358) 2.887 4.239 ( 5.578 -7.337 5.255) 10.609 4.460 ( -0.431 -1.082 0.991) 1.529 4.874 ( -1.433 9.537 2.251) 9.904 4.996 ( -1.984 4.916 -4.347) 6.856 5.661 ( 0.830 2.507 -1.176) 2.891 5.931 ( 3.466 -13.156 -2.909) 13.913 7.451 ( -9.698 -0.147 -13.195) 16.376 ======================= Grid point 568 (215/344) ======================= q-point: ( 0.60 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( 1.512 1.937 -1.435) 2.846 2.280 ( 11.529 8.410 -1.312) 14.330 2.822 ( 3.818 0.620 2.536) 4.625 3.907 ( 5.004 2.985 0.219) 5.831 4.060 ( 1.971 2.659 5.018) 6.011 4.293 ( 7.246 -6.580 0.285) 9.792 4.446 ( -0.480 -1.461 2.370) 2.825 4.920 ( -2.386 7.307 -1.212) 7.782 4.979 ( -4.391 4.838 -2.970) 7.177 5.673 ( -0.604 0.244 -0.871) 1.088 5.941 ( 9.613 -6.563 -0.436) 11.648 7.197 ( -16.292 2.145 -10.960) 19.753 ======================= Grid point 569 (216/344) ======================= q-point: ( 0.67 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( 2.159 1.946 -0.300) 2.922 2.537 ( 10.006 7.658 -2.048) 12.765 2.902 ( 4.348 -1.540 3.407) 5.734 4.015 ( 6.273 -0.294 0.310) 6.287 4.148 ( 1.885 3.705 3.836) 5.656 4.348 ( 4.714 -2.308 -2.311) 5.735 4.442 ( 2.307 -2.881 3.702) 5.227 4.925 ( -4.343 3.543 -2.718) 6.229 4.946 ( -2.411 6.232 -1.360) 6.819 5.665 ( 0.269 0.114 -0.201) 0.354 6.078 ( 11.726 -4.395 0.838) 12.551 6.890 ( -19.468 3.489 -7.259) 21.068 ======================= Grid point 570 (217/344) ======================= q-point: ( 0.73 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( 1.859 1.631 0.141) 2.477 2.736 ( 6.226 6.742 -1.452) 9.291 2.934 ( 1.070 -4.247 1.897) 4.772 4.099 ( 5.225 -3.091 -1.897) 6.361 4.178 ( -2.602 1.284 2.623) 3.912 4.389 ( 2.012 1.779 0.334) 2.706 4.535 ( 8.005 1.218 1.598) 8.253 4.887 ( -2.774 3.104 -0.849) 4.249 4.959 ( -1.208 2.689 -0.878) 3.076 5.691 ( 1.904 1.166 0.516) 2.292 6.230 ( 11.477 -5.165 -0.011) 12.585 6.576 ( -19.487 3.185 -2.771) 19.939 ======================= Grid point 571 (218/344) ======================= q-point: (-0.20 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( 0.927 1.026 0.001) 1.383 2.859 ( -4.095 -5.083 0.300) 6.534 2.867 ( 3.012 3.733 -0.308) 4.806 4.080 ( -3.663 -1.003 0.906) 3.904 4.170 ( 1.849 -1.635 -1.445) 2.860 4.459 ( 2.248 3.627 1.292) 4.458 4.682 ( 4.503 4.226 -1.585) 6.375 4.891 ( 0.323 1.164 2.678) 2.938 4.947 ( -0.372 -0.960 -1.868) 2.133 5.742 ( 1.744 1.597 0.048) 2.365 6.275 ( -8.969 -6.332 -0.020) 10.979 6.380 ( 4.169 1.468 0.001) 4.420 ======================= Grid point 572 (219/344) ======================= q-point: (-0.13 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( -0.129 0.562 -0.476) 0.748 2.680 ( -8.094 -8.482 -0.522) 11.736 2.945 ( 0.547 4.869 1.309) 5.072 4.019 ( -4.460 1.584 3.331) 5.788 4.171 ( 1.528 -2.910 -2.807) 4.322 4.524 ( 0.170 4.506 0.043) 4.510 4.719 ( -1.730 -0.314 -0.204) 1.770 4.916 ( -0.157 -0.684 2.465) 2.563 4.938 ( 1.693 0.929 -5.274) 5.616 5.744 ( -3.493 0.606 -0.485) 3.578 6.096 ( -2.818 -7.834 4.015) 9.243 6.495 ( 8.070 0.033 -3.251) 8.700 ======================= Grid point 582 (220/344) ======================= q-point: ( 0.53 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( 0.000 1.359 -2.029) 2.442 2.032 ( 0.000 6.739 -0.549) 6.761 2.759 ( -0.000 -0.028 1.519) 1.519 3.819 ( -0.000 4.966 1.819) 5.288 4.032 ( -0.000 1.265 0.178) 1.278 4.140 ( -0.000 -7.583 7.424) 10.612 4.458 ( -0.000 -1.089 1.618) 1.950 4.973 ( 0.000 7.131 -1.736) 7.339 5.061 ( 0.000 6.552 -0.503) 6.572 5.668 ( 0.000 2.457 -2.606) 3.582 5.780 ( 0.000 -9.279 -3.198) 9.815 7.487 ( 0.000 0.805 -13.000) 13.025 ======================= Grid point 583 (221/344) ======================= q-point: ( 0.60 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( 0.939 1.491 -0.278) 1.784 2.161 ( 8.630 4.939 -0.985) 9.992 2.776 ( 2.198 -1.448 3.411) 4.309 3.882 ( 1.872 2.940 1.211) 3.690 4.058 ( 1.967 1.265 1.804) 2.954 4.135 ( 4.396 -6.186 4.314) 8.730 4.453 ( -0.333 -0.803 2.473) 2.621 5.009 ( -1.563 5.609 -3.010) 6.555 5.090 ( -3.357 4.855 -0.630) 5.936 5.677 ( -0.475 -0.417 -1.480) 1.610 5.754 ( 6.113 -2.720 -2.715) 7.221 7.388 ( -8.445 2.681 -11.445) 14.473 ======================= Grid point 584 (222/344) ======================= q-point: ( 0.67 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( 1.772 1.792 1.052) 2.732 2.384 ( 12.859 3.647 -2.234) 13.552 2.827 ( 3.786 -1.994 4.640) 6.312 3.940 ( 2.800 0.072 1.551) 3.202 4.116 ( 4.162 -1.794 -0.924) 4.625 4.211 ( 7.231 -0.496 4.256) 8.405 4.448 ( -0.775 -0.389 3.491) 3.597 5.008 ( -3.067 3.147 -2.070) 4.858 5.056 ( -4.211 4.189 -1.742) 6.190 5.661 ( -0.017 -0.428 -0.172) 0.462 5.867 ( 9.376 -1.196 -2.157) 9.695 7.189 ( -14.847 4.238 -8.652) 17.699 ======================= Grid point 585 (223/344) ======================= q-point: (-0.27 -0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( 1.879 1.477 1.403) 2.771 2.615 ( 12.011 1.964 -3.050) 12.547 2.872 ( 2.348 -3.527 3.753) 5.660 3.984 ( 3.509 -2.531 -0.711) 4.385 4.167 ( 4.635 -2.468 0.248) 5.257 4.358 ( 5.031 3.076 2.009) 6.230 4.464 ( 2.811 0.866 5.597) 6.322 4.959 ( -3.491 1.302 -1.936) 4.199 5.028 ( -3.490 2.632 -0.091) 4.372 5.674 ( 1.349 0.432 0.940) 1.700 6.008 ( 9.860 -1.851 -2.710) 10.392 6.924 ( -18.728 4.470 -5.024) 19.899 ======================= Grid point 586 (224/344) ======================= q-point: (-0.20 -0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( 1.336 0.710 1.075) 1.856 2.767 ( 6.240 -5.511 -1.153) 8.404 2.868 ( 1.108 -0.261 0.317) 1.181 4.004 ( 3.844 -3.985 -3.526) 6.564 4.199 ( -0.383 -0.502 2.690) 2.763 4.434 ( 3.232 2.132 1.132) 4.034 4.617 ( 7.615 3.293 4.211) 9.304 4.922 ( -1.459 0.929 -0.791) 1.901 4.978 ( -3.863 -0.607 1.401) 4.154 5.713 ( 2.502 -0.388 1.302) 2.847 6.125 ( 7.286 -2.605 -4.245) 8.826 6.638 ( -18.068 4.252 -0.354) 18.565 ======================= Grid point 598 (225/344) ======================= q-point: ( 0.60 0.60 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( -0.000 1.894 1.434) 2.375 2.117 ( 0.000 2.458 -0.415) 2.493 2.755 ( -0.000 -1.397 4.588) 4.796 3.895 ( -0.000 1.606 0.611) 1.718 4.045 ( -0.000 -0.043 0.280) 0.284 4.065 ( -0.000 -4.775 5.572) 7.339 4.458 ( -0.000 -0.390 2.916) 2.942 5.061 ( 0.000 4.376 -2.292) 4.940 5.151 ( 0.000 2.081 -1.539) 2.588 5.667 ( 0.000 -1.326 -1.221) 1.802 5.687 ( 0.000 1.676 -3.234) 3.642 7.453 ( 0.000 4.306 -10.800) 11.627 ======================= Grid point 599 (226/344) ======================= q-point: (-0.33 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( 0.771 2.285 2.550) 3.509 2.207 ( 8.836 0.505 -0.959) 8.903 2.783 ( 1.933 -0.440 5.480) 5.828 3.918 ( 1.636 -0.001 1.587) 2.279 4.018 ( 0.826 -4.604 -0.692) 4.728 4.124 ( 6.067 0.385 4.230) 7.406 4.466 ( -0.217 0.009 3.369) 3.376 5.068 ( -2.074 0.936 -1.681) 2.829 5.133 ( -2.271 1.441 -1.833) 3.255 5.659 ( -0.294 0.562 -0.943) 1.136 5.740 ( 5.195 1.781 -2.625) 6.087 7.399 ( -8.005 5.832 -9.144) 13.480 ======================= Grid point 600 (227/344) ======================= q-point: (-0.27 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( 1.079 1.566 2.573) 3.200 2.385 ( 13.040 -2.137 -2.286) 13.410 2.829 ( 1.669 -0.950 4.711) 5.087 3.937 ( -0.121 -1.648 0.700) 1.794 4.028 ( 6.899 -4.063 -0.035) 8.007 4.278 ( 8.619 2.471 3.609) 9.665 4.473 ( -0.380 0.096 3.821) 3.841 5.003 ( -2.878 -2.387 -2.404) 4.445 5.104 ( -3.025 1.075 0.810) 3.311 5.660 ( 0.420 0.110 -1.110) 1.192 5.862 ( 7.150 3.192 -1.814) 8.037 7.238 ( -14.751 6.149 -6.711) 17.333 ======================= Grid point 601 (228/344) ======================= q-point: (-0.20 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( 1.131 0.254 1.982) 2.296 2.546 ( 11.357 -7.372 -2.287) 13.732 2.846 ( 0.710 -1.058 1.769) 2.180 3.914 ( 1.364 -3.311 -2.410) 4.317 4.135 ( 6.935 -1.521 3.061) 7.732 4.426 ( 2.230 2.077 1.581) 3.433 4.527 ( 6.953 1.474 4.427) 8.373 4.933 ( -1.268 -3.148 -1.604) 3.753 5.050 ( -4.147 -0.813 2.824) 5.082 5.663 ( 1.566 -2.379 -1.466) 3.203 6.015 ( 6.292 5.292 -1.159) 8.303 6.991 ( -18.713 5.387 -3.205) 19.735 ======================= Grid point 614 (229/344) ======================= q-point: (-0.33 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( -0.000 2.632 3.433) 4.326 2.121 ( 0.000 -1.885 -0.269) 1.904 2.794 ( -0.000 1.484 6.104) 6.282 3.880 ( -0.000 -3.270 0.263) 3.281 4.032 ( -0.000 -2.183 4.382) 4.896 4.039 ( 0.000 -0.524 -0.148) 0.545 4.481 ( -0.000 0.249 3.295) 3.305 5.063 ( 0.000 -4.478 -3.022) 5.402 5.157 ( 0.000 1.132 -0.151) 1.142 5.688 ( 0.000 0.746 -3.161) 3.248 5.700 ( 0.000 5.389 -0.284) 5.396 7.499 ( 0.000 7.324 -8.881) 11.512 ======================= Grid point 615 (230/344) ======================= q-point: (-0.27 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( -0.111 1.252 3.188) 3.426 2.162 ( 8.195 -4.600 -0.949) 9.446 2.835 ( 0.149 1.221 5.463) 5.600 3.883 ( 4.591 -5.140 0.285) 6.898 3.956 ( -2.944 -0.823 1.714) 3.504 4.156 ( 8.636 0.657 2.483) 9.010 4.492 ( -0.267 0.060 3.125) 3.137 4.979 ( -0.991 -7.553 -3.264) 8.287 5.152 ( -1.662 -0.090 1.509) 2.246 5.663 ( -1.420 0.329 -2.932) 3.274 5.816 ( 4.667 8.163 0.120) 9.404 7.474 ( -8.219 7.702 -7.960) 13.793 ======================= Grid point 616 (231/344) ======================= q-point: (-0.20 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( 0.289 -0.975 2.381) 2.590 2.264 ( 11.244 -8.853 -1.964) 14.445 2.845 ( -0.776 -0.922 3.110) 3.336 3.863 ( 0.312 -4.521 -1.810) 4.880 4.010 ( 6.969 -0.342 4.306) 8.199 4.342 ( 10.082 2.189 1.843) 10.480 4.495 ( -0.064 -0.446 2.802) 2.838 4.883 ( 0.069 -8.110 -1.867) 8.322 5.110 ( -3.130 -1.468 2.398) 4.207 5.625 ( -0.969 -1.753 -3.355) 3.908 5.999 ( 5.386 10.680 1.630) 12.072 7.322 ( -15.142 6.888 -5.923) 17.658 ======================= Grid point 630 (232/344) ======================= q-point: (-0.27 -0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( -0.000 -0.701 2.909) 2.992 2.033 ( 0.000 -7.095 -0.517) 7.113 2.870 ( -0.000 1.030 5.265) 5.365 3.792 ( -0.000 -5.787 0.929) 5.861 4.023 ( 0.000 -0.915 -0.300) 0.963 4.049 ( -0.000 0.983 3.903) 4.025 4.504 ( -0.000 -0.197 2.592) 2.600 4.883 ( 0.000 -10.577 -3.024) 11.001 5.166 ( -0.000 -1.316 1.802) 2.231 5.673 ( 0.000 -0.310 -2.369) 2.389 5.874 ( 0.000 12.469 0.321) 12.473 7.593 ( 0.000 8.284 -8.795) 12.082 ======================= Grid point 631 (233/344) ======================= q-point: (-0.20 -0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( -0.423 -3.766 2.102) 4.333 2.010 ( 6.848 -10.498 -1.156) 12.587 2.866 ( -1.691 -2.350 3.460) 4.512 3.774 ( 3.356 -5.725 0.418) 6.650 3.971 ( -0.778 0.081 2.515) 2.634 4.194 ( 9.855 1.838 1.845) 10.194 4.504 ( -0.459 -0.799 1.988) 2.191 4.775 ( 0.658 -10.621 -1.270) 10.717 5.140 ( -1.646 -2.285 1.751) 3.316 5.636 ( -2.414 -0.818 -2.342) 3.461 6.046 ( 3.888 14.446 1.601) 15.045 7.568 ( -8.461 7.705 -8.632) 14.334 ======================= Grid point 646 (234/344) ======================= q-point: (-0.20 -0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( -0.000 -7.490 1.435) 7.626 1.835 ( 0.000 -12.937 -0.908) 12.968 2.852 ( -0.000 -7.008 2.072) 7.308 3.689 ( -0.000 -5.415 1.707) 5.678 4.005 ( -0.000 -0.784 0.343) 0.856 4.110 ( -0.000 2.152 2.672) 3.431 4.504 ( -0.000 -1.200 1.461) 1.891 4.670 ( -0.000 -9.237 1.323) 9.331 5.132 ( -0.000 -2.974 0.884) 3.103 5.646 ( 0.000 -1.175 -0.950) 1.512 6.170 ( -0.000 17.252 1.394) 17.308 7.681 ( 0.000 7.602 -10.731) 13.150 ======================= Grid point 727 (235/344) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.575 ( -0.000 0.000 15.797) 15.797 0.575 ( -0.000 0.000 15.797) 15.797 1.012 ( -0.000 0.000 29.238) 29.238 3.513 ( 0.000 -0.000 -0.210) 0.210 3.513 ( 0.000 -0.000 -0.210) 0.210 3.923 ( 0.000 -0.000 -3.723) 3.723 3.923 ( 0.000 -0.000 -3.723) 3.723 4.908 ( 0.000 -0.000 -9.057) 9.057 5.598 ( -0.000 0.000 2.679) 2.679 5.598 ( -0.000 0.000 2.679) 2.679 6.066 ( -0.000 0.000 2.855) 2.855 9.455 ( -0.000 0.000 0.743) 0.743 ======================= Grid point 728 (236/344) ======================= q-point: ( 0.27 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( 8.455 4.882 12.334) 15.731 0.742 ( 8.872 5.122 15.218) 18.345 1.240 ( 11.621 6.709 18.683) 23.003 3.540 ( 1.623 0.937 -0.217) 1.886 3.639 ( 9.451 5.456 -3.575) 11.483 3.911 ( 0.200 0.116 -3.382) 3.390 4.019 ( 10.043 5.798 -3.615) 12.147 4.844 ( -2.779 -1.604 -7.351) 8.021 5.299 ( -12.930 -7.465 9.162) 17.517 5.659 ( 1.837 1.061 2.591) 3.349 6.457 ( 19.574 11.301 -10.327) 24.850 9.029 ( -32.220 -18.602 12.060) 39.111 ======================= Grid point 729 (237/344) ======================= q-point: ( 0.33 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( 8.573 4.950 12.465) 15.918 1.006 ( 11.724 6.769 7.882) 15.665 1.622 ( 18.255 10.540 4.860) 21.633 3.584 ( 2.445 1.412 -0.032) 2.823 3.853 ( 10.597 6.118 -0.953) 12.273 3.910 ( 0.736 0.425 -2.951) 3.071 4.304 ( 15.056 8.693 -3.262) 17.689 4.757 ( -2.946 -1.701 -2.637) 4.304 5.115 ( -7.193 -4.153 4.953) 9.670 5.688 ( 0.090 0.052 1.285) 1.289 6.724 ( 8.402 4.851 -12.904) 16.144 8.299 ( -36.041 -20.808 12.862) 43.559 ======================= Grid point 730 (238/344) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( 8.273 4.777 5.449) 10.998 1.302 ( 12.622 7.287 4.364) 15.214 2.056 ( 19.511 11.265 -0.843) 22.545 3.649 ( 3.279 1.893 0.313) 3.800 3.925 ( 1.390 0.802 -2.448) 2.927 4.099 ( 10.775 6.221 2.887) 12.772 4.569 ( 5.950 3.435 -4.947) 8.466 4.762 ( 6.759 3.902 4.146) 8.837 4.977 ( -6.347 -3.665 0.150) 7.331 5.671 ( -1.705 -0.985 -0.266) 1.987 6.773 ( 0.731 0.422 -12.402) 12.430 7.535 ( -35.321 -20.392 7.657) 41.497 ======================= Grid point 731 (239/344) ======================= q-point: ( 0.47 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( 7.813 4.511 -0.417) 9.031 1.586 ( 11.713 6.762 2.021) 13.675 2.463 ( 17.067 9.854 -2.007) 19.810 3.730 ( 3.819 2.205 0.413) 4.429 3.955 ( 1.930 1.114 -1.632) 2.762 4.333 ( 8.673 5.007 4.743) 11.081 4.589 ( -0.268 -0.155 0.543) 0.625 4.830 ( -5.931 -3.424 -4.051) 7.957 5.014 ( 11.085 6.400 1.660) 12.907 5.619 ( -2.540 -1.466 -0.934) 3.078 6.644 ( -14.873 -8.587 -15.267) 22.979 6.868 ( -18.710 -10.802 8.640) 23.268 ======================= Grid point 732 (240/344) ======================= q-point: ( 0.53 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( 6.204 3.582 -3.233) 7.859 1.829 ( 9.421 5.439 0.834) 10.910 2.781 ( 11.818 6.823 -2.761) 13.923 3.815 ( 3.566 2.059 -0.071) 4.119 3.996 ( 2.022 1.167 -0.487) 2.385 4.502 ( 4.338 2.505 1.234) 5.159 4.576 ( -2.540 -1.466 6.773) 7.380 4.721 ( -0.131 -0.076 -6.639) 6.641 5.208 ( 5.838 3.370 -2.762) 7.285 5.564 ( -1.961 -1.132 -0.077) 2.266 6.072 ( -23.787 -13.734 -6.504) 28.227 6.770 ( 0.257 0.148 5.001) 5.010 ======================= Grid point 733 (241/344) ======================= q-point: ( 0.60 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( 4.061 2.344 -3.779) 6.022 2.006 ( 6.173 3.564 0.417) 7.140 2.957 ( 5.173 2.986 -5.318) 7.997 3.882 ( 2.514 1.452 -0.639) 2.973 4.034 ( 1.176 0.679 0.351) 1.402 4.427 ( -6.155 -3.554 -4.023) 8.167 4.605 ( 0.742 0.428 1.069) 1.370 4.805 ( 7.282 4.204 0.578) 8.429 5.217 ( -3.869 -2.234 -5.961) 7.449 5.540 ( -0.383 -0.221 1.929) 1.978 5.687 ( -8.473 -4.892 0.220) 9.786 6.851 ( 4.398 2.539 9.652) 10.906 ======================= Grid point 734 (242/344) ======================= q-point: ( 0.67 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( 2.622 1.514 -3.319) 4.492 2.103 ( 2.388 1.379 0.346) 2.779 2.988 ( 0.512 0.296 -8.450) 8.470 3.918 ( 0.724 0.418 -0.882) 1.216 4.045 ( -0.348 -0.201 0.560) 0.690 4.278 ( -5.192 -2.998 -6.590) 8.909 4.592 ( -1.006 -0.581 -3.362) 3.558 4.996 ( 8.561 4.943 1.706) 10.032 5.085 ( -5.230 -3.019 0.509) 6.060 5.559 ( 1.106 0.638 3.794) 4.003 5.622 ( -0.073 -0.042 1.800) 1.802 7.021 ( 6.989 4.035 13.222) 15.491 ======================= Grid point 735 (243/344) ======================= q-point: (-0.27 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( 1.904 1.099 -2.481) 3.315 2.112 ( -1.694 -0.978 0.474) 2.013 2.955 ( -0.258 -0.149 -8.507) 8.512 3.897 ( -2.486 -1.436 -1.269) 3.139 4.032 ( -0.719 -0.415 0.585) 1.016 4.161 ( -2.902 -1.676 -7.417) 8.139 4.558 ( -0.772 -0.446 -3.606) 3.714 4.985 ( -5.185 -2.994 3.869) 7.129 5.156 ( 4.472 2.582 -0.189) 5.168 5.605 ( 1.491 0.861 4.295) 4.627 5.675 ( 4.949 2.857 2.140) 6.102 7.242 ( 8.243 4.759 14.574) 17.407 ======================= Grid point 736 (244/344) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( -0.960 -0.554 -1.775) 2.093 2.027 ( -6.269 -3.619 0.694) 7.271 2.925 ( -0.605 -0.350 -5.281) 5.328 3.805 ( -4.836 -2.792 -1.645) 5.821 4.020 ( -0.589 -0.340 0.296) 0.742 4.103 ( -0.109 -0.063 -6.276) 6.277 4.531 ( -0.759 -0.438 -2.552) 2.699 4.853 ( -7.836 -4.524 2.497) 9.387 5.182 ( -1.096 -0.633 -1.447) 1.922 5.644 ( 0.552 0.319 3.125) 3.189 5.871 ( 11.642 6.721 0.957) 13.477 7.475 ( 7.958 4.595 13.570) 16.389 ======================= Grid point 743 (245/344) ======================= q-point: ( 0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( -0.000 7.707 12.068) 14.319 0.832 ( -0.000 11.694 14.856) 18.906 1.321 ( -0.000 12.734 17.967) 22.023 3.500 ( 0.000 -0.117 -0.046) 0.126 3.663 ( 0.000 12.444 -3.251) 12.861 3.900 ( 0.000 0.297 -3.909) 3.920 3.965 ( 0.000 5.876 -2.331) 6.321 4.815 ( 0.000 -2.954 -8.019) 8.546 5.365 ( -0.000 -15.826 9.229) 18.320 5.562 ( -0.000 -2.441 2.374) 3.405 6.485 ( 0.000 25.205 -7.754) 26.371 9.095 ( -0.000 -31.294 8.779) 32.502 ======================= Grid point 744 (246/344) ======================= q-point: ( 0.33 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( 7.672 9.553 9.449) 15.473 1.027 ( 3.363 10.323 13.999) 17.716 1.564 ( 6.848 16.565 6.630) 19.111 3.540 ( 3.704 0.439 -0.028) 3.730 3.785 ( 2.855 8.250 -1.654) 8.885 3.921 ( 1.465 4.536 -3.432) 5.873 4.128 ( 12.236 7.267 -2.248) 14.408 4.748 ( -1.014 -3.378 -5.342) 6.401 5.195 ( -6.185 -8.294 6.310) 12.119 5.610 ( 5.143 -4.220 1.812) 6.895 6.690 ( 2.657 14.437 -9.017) 17.228 8.612 ( -22.742 -29.413 9.699) 38.423 ======================= Grid point 745 (247/344) ======================= q-point: ( 0.40 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( 5.120 7.531 9.089) 12.867 1.245 ( 7.775 11.400 6.265) 15.154 1.907 ( 13.128 16.694 -0.862) 21.255 3.615 ( 3.585 2.112 -0.090) 4.162 3.878 ( 3.384 0.573 -1.136) 3.616 4.045 ( 5.673 10.114 0.517) 11.608 4.426 ( 13.910 6.304 -3.861) 15.752 4.704 ( 1.778 -2.387 -0.406) 3.004 5.045 ( -6.085 -5.315 1.913) 8.303 5.637 ( 2.194 -3.980 0.678) 4.595 6.767 ( -0.782 5.149 -8.402) 9.885 7.917 ( -31.276 -24.412 6.127) 40.146 ======================= Grid point 746 (248/344) ======================= q-point: ( 0.47 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( 4.708 6.066 2.956) 8.228 1.522 ( 8.696 12.384 3.072) 15.441 2.292 ( 15.305 13.723 -2.170) 20.670 3.699 ( 3.397 3.362 -0.078) 4.780 3.926 ( 2.391 1.230 -1.535) 3.096 4.262 ( 8.125 7.360 3.688) 11.567 4.568 ( 2.253 0.360 -2.884) 3.677 4.843 ( 12.218 1.146 0.697) 12.291 4.896 ( -5.692 -3.496 -1.954) 6.960 5.618 ( -0.432 -2.879 0.473) 2.949 6.728 ( -3.959 1.556 -7.831) 8.912 7.180 ( -31.712 -20.016 3.467) 37.660 ======================= Grid point 747 (249/344) ======================= q-point: ( 0.53 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( 5.072 4.936 -1.403) 7.215 1.780 ( 7.073 11.695 1.618) 13.763 2.640 ( 13.041 9.675 -2.167) 16.382 3.789 ( 3.066 3.920 -0.377) 4.991 3.976 ( 2.202 2.058 -0.868) 3.137 4.454 ( 5.821 4.023 2.549) 7.522 4.594 ( 1.609 -0.535 3.836) 4.194 4.740 ( -5.650 -1.744 -5.951) 8.389 5.052 ( 10.784 -1.947 -4.234) 11.748 5.584 ( -1.406 -0.778 1.590) 2.260 6.422 ( -29.950 -4.742 -9.283) 31.713 6.760 ( -0.265 -7.421 7.860) 10.813 ======================= Grid point 748 (250/344) ======================= q-point: ( 0.60 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( 4.183 3.474 -3.083) 6.251 1.987 ( 4.408 10.189 1.049) 11.151 2.876 ( 7.264 5.306 -3.666) 9.713 3.869 ( 2.114 3.938 -0.871) 4.554 4.028 ( 1.436 2.307 0.050) 2.718 4.476 ( -4.085 -2.817 -3.287) 5.952 4.616 ( -1.029 0.853 2.049) 2.446 4.732 ( 5.897 3.736 -0.707) 7.016 5.122 ( 5.200 -7.125 -6.311) 10.846 5.579 ( -0.667 2.019 2.537) 3.310 5.917 ( -21.935 -0.176 -3.520) 22.216 6.802 ( 5.693 -2.730 10.325) 12.102 ======================= Grid point 749 (251/344) ======================= q-point: ( 0.67 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( 2.850 2.238 -3.301) 4.902 2.126 ( 0.926 8.387 0.950) 8.491 2.958 ( 1.107 1.830 -6.643) 6.979 3.926 ( 0.681 3.641 -1.091) 3.861 4.055 ( -0.695 0.973 0.416) 1.266 4.339 ( -6.348 -1.120 -6.007) 8.811 4.595 ( -1.421 -0.274 -3.754) 4.023 4.904 ( 8.405 4.320 2.282) 9.722 5.081 ( 0.747 -6.275 -1.266) 6.445 5.615 ( 0.255 3.907 2.693) 4.752 5.678 ( -8.994 2.541 1.077) 9.408 6.947 ( 8.782 -1.295 13.075) 15.804 ======================= Grid point 750 (252/344) ======================= q-point: (-0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( 2.185 1.520 -2.969) 3.988 2.184 ( -3.116 6.551 1.074) 7.333 2.933 ( -1.075 0.272 -8.183) 8.258 3.949 ( -2.110 3.575 -1.216) 4.326 4.019 ( -1.860 -3.045 -0.519) 3.606 4.232 ( -5.180 3.723 -5.956) 8.727 4.554 ( -0.968 -0.462 -4.357) 4.487 5.024 ( -0.940 -3.397 2.262) 4.188 5.090 ( 6.216 2.379 1.901) 6.922 5.618 ( -1.917 0.700 2.902) 3.548 5.682 ( 1.282 5.929 2.557) 6.583 7.149 ( 10.767 -1.060 13.619) 17.393 ======================= Grid point 751 (253/344) ======================= q-point: (-0.20 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( 1.036 0.232 -2.480) 2.697 2.151 ( -7.702 4.173 1.195) 8.841 2.897 ( 0.172 -0.543 -6.372) 6.397 3.887 ( -6.400 0.269 -0.583) 6.432 3.980 ( 0.579 -1.600 -2.619) 3.123 4.189 ( -4.502 7.298 -3.898) 9.420 4.526 ( -0.408 -0.476 -3.255) 3.314 4.943 ( -5.863 -4.022 3.499) 7.925 5.167 ( 1.472 -0.885 -1.302) 2.156 5.627 ( 1.080 -1.060 3.771) 4.063 5.813 ( 5.678 9.057 0.781) 10.718 7.369 ( 11.487 -1.845 12.009) 16.720 ======================= Grid point 759 (254/344) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( -0.000 12.595 7.601) 14.710 1.152 ( -0.000 9.708 14.289) 17.275 1.713 ( -0.000 20.138 2.241) 20.263 3.509 ( -0.000 0.928 0.541) 1.074 3.886 ( 0.000 0.996 -3.237) 3.387 3.903 ( 0.000 14.130 -2.009) 14.272 4.093 ( -0.000 7.382 0.712) 7.416 4.701 ( 0.000 -3.824 -4.719) 6.074 5.179 ( -0.000 -9.525 5.155) 10.831 5.543 ( -0.000 -1.049 2.073) 2.323 6.775 ( 0.000 9.957 -6.736) 12.021 8.526 ( -0.000 -31.545 5.110) 31.956 ======================= Grid point 760 (255/344) ======================= q-point: ( 0.40 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( 5.668 12.984 6.250) 15.485 1.291 ( 1.695 8.018 9.896) 12.848 1.945 ( 4.093 20.944 -2.716) 21.513 3.564 ( 4.206 1.762 0.539) 4.592 3.867 ( -0.727 2.576 -0.966) 2.846 4.080 ( 3.222 11.563 -0.713) 12.025 4.259 ( 10.742 6.792 0.468) 12.718 4.654 ( 0.346 -3.401 -1.923) 3.923 5.078 ( -3.641 -6.607 1.744) 7.743 5.568 ( 2.463 -1.323 1.736) 3.291 6.800 ( -1.158 1.173 -4.892) 5.162 8.097 ( -17.284 -26.245 0.287) 31.426 ======================= Grid point 761 (256/344) ======================= q-point: ( 0.47 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( 1.100 6.645 4.618) 8.166 1.524 ( 8.468 13.899 3.656) 16.681 2.231 ( 8.662 17.889 -3.307) 20.149 3.667 ( 4.694 3.304 -0.074) 5.741 3.898 ( 1.725 2.033 -0.267) 2.680 4.244 ( 4.678 9.053 2.253) 10.437 4.490 ( 7.914 2.961 -3.168) 9.024 4.670 ( 6.573 -1.399 2.107) 7.043 4.949 ( -5.287 -4.304 -1.804) 7.052 5.595 ( 1.190 -1.008 2.022) 2.554 6.738 ( -1.389 -5.789 -2.019) 6.286 7.498 ( -26.796 -17.746 -4.746) 32.488 ======================= Grid point 762 (257/344) ======================= q-point: ( 0.53 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( 2.439 5.518 0.115) 6.034 1.805 ( 6.971 14.594 2.298) 16.336 2.538 ( 10.751 12.924 -2.013) 16.932 3.776 ( 3.742 4.704 -0.679) 6.049 3.954 ( 2.500 2.281 0.005) 3.384 4.414 ( 5.117 5.517 2.478) 7.923 4.559 ( 2.878 -0.351 0.760) 2.998 4.796 ( -1.417 -1.622 -5.013) 5.456 4.842 ( 5.780 -2.378 -1.858) 6.521 5.606 ( -0.351 0.261 2.900) 2.932 6.665 ( 2.149 -9.639 3.757) 10.566 6.868 ( -30.225 -7.185 -8.705) 32.264 ======================= Grid point 763 (258/344) ======================= q-point: ( 0.60 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( 3.105 4.297 -1.922) 5.638 2.045 ( 4.195 14.108 1.685) 14.814 2.798 ( 8.330 7.982 -1.879) 11.689 3.874 ( 2.489 5.372 -1.152) 6.032 4.024 ( 2.485 3.059 0.659) 3.996 4.477 ( -0.268 -2.117 -1.131) 2.415 4.651 ( 3.455 2.597 6.231) 7.583 4.700 ( -2.401 2.620 -7.763) 8.538 4.921 ( 7.253 -6.702 -4.521) 10.861 5.614 ( -0.576 1.305 2.645) 3.005 6.320 ( -26.181 -0.550 -5.913) 26.846 6.681 ( 6.381 -6.496 7.547) 11.826 ======================= Grid point 764 (259/344) ======================= q-point: ( 0.67 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( 2.603 3.100 -2.487) 4.751 2.224 ( 0.903 12.960 1.790) 13.114 2.938 ( 2.599 3.832 -3.724) 5.942 3.949 ( 0.920 4.904 -1.452) 5.196 4.087 ( 0.270 3.344 1.266) 3.586 4.399 ( -3.995 -1.700 -4.463) 6.226 4.617 ( -3.369 0.594 -5.412) 6.403 4.822 ( 7.061 4.107 2.271) 8.478 4.950 ( 5.981 -6.452 -1.033) 8.858 5.635 ( 0.528 1.727 1.520) 2.360 5.961 ( -18.098 5.791 -1.809) 19.088 6.796 ( 10.058 -6.000 11.351) 16.310 ======================= Grid point 765 (260/344) ======================= q-point: ( 0.73 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( 1.798 2.284 -2.527) 3.852 2.334 ( -2.931 11.636 2.255) 12.209 2.943 ( -2.022 1.136 -5.840) 6.283 3.982 ( -0.511 1.993 -2.215) 3.023 4.083 ( -4.509 2.432 1.452) 5.325 4.326 ( -3.291 4.167 -5.849) 7.900 4.553 ( -1.659 -0.418 -5.666) 5.918 4.966 ( 4.721 -1.414 1.429) 5.132 5.009 ( 6.352 -0.015 2.566) 6.851 5.661 ( -0.410 1.273 -0.104) 1.341 5.808 ( -8.191 7.506 3.075) 11.528 6.965 ( 12.063 -6.246 11.738) 17.953 ======================= Grid point 766 (261/344) ======================= q-point: (-0.20 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( 1.105 1.394 -2.448) 3.026 2.359 ( -7.788 9.621 2.574) 12.643 2.885 ( -1.994 -0.423 -5.700) 6.053 3.944 ( -2.498 -2.997 -0.727) 3.969 4.036 ( -5.105 5.820 -1.437) 7.874 4.319 ( -3.082 7.955 -4.136) 9.482 4.516 ( -0.529 -0.231 -4.180) 4.220 4.976 ( -0.837 -3.383 2.806) 4.474 5.111 ( 3.678 -0.866 -0.531) 3.816 5.644 ( -1.966 0.472 2.000) 2.844 5.842 ( 1.063 8.386 1.829) 8.649 7.151 ( 13.333 -7.532 9.753) 18.156 ======================= Grid point 775 (262/344) ======================= q-point: ( 0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( -0.000 14.641 4.006) 15.180 1.381 ( -0.000 5.873 7.967) 9.898 2.111 ( 0.000 21.534 -4.866) 22.077 3.546 ( -0.000 2.235 1.375) 2.624 3.899 ( 0.000 2.177 -1.854) 2.859 4.168 ( 0.000 12.985 0.367) 12.990 4.244 ( -0.000 6.477 4.930) 8.139 4.615 ( 0.000 -2.835 -0.659) 2.911 5.050 ( -0.000 -5.911 -0.014) 5.912 5.551 ( -0.000 0.575 1.326) 1.446 6.769 ( 0.000 -7.567 -2.550) 7.985 7.991 ( 0.000 -22.132 -6.127) 22.964 ======================= Grid point 776 (263/344) ======================= q-point: ( 0.47 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( -0.360 5.234 3.231) 6.161 1.535 ( 6.831 14.118 2.693) 15.914 2.311 ( 2.474 19.083 -4.455) 19.752 3.616 ( 4.328 3.126 1.163) 5.464 3.913 ( -0.191 2.827 -0.201) 2.841 4.285 ( 1.872 7.670 1.994) 8.143 4.396 ( 6.120 6.214 2.812) 9.164 4.607 ( 1.610 -0.882 2.641) 3.216 4.971 ( -2.911 -3.813 -2.785) 5.547 5.577 ( 1.415 0.910 1.311) 2.133 6.644 ( -0.297 -15.349 -0.480) 15.359 7.663 ( -13.942 -13.512 -11.244) 22.436 ======================= Grid point 777 (264/344) ======================= q-point: ( 0.53 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( 0.581 4.564 -0.222) 4.607 1.819 ( 8.995 14.237 1.754) 16.932 2.529 ( 5.467 14.573 -2.195) 15.719 3.739 ( 5.409 4.192 -0.119) 6.844 3.950 ( 1.129 2.875 1.396) 3.389 4.408 ( 3.785 5.656 2.436) 7.229 4.494 ( 3.211 -1.573 0.148) 3.578 4.693 ( 4.900 2.081 3.449) 6.343 4.870 ( -4.446 -0.915 -5.107) 6.833 5.617 ( 1.030 1.233 2.107) 2.650 6.495 ( 2.601 -18.362 2.755) 18.749 7.224 ( -22.256 -3.993 -13.814) 26.497 ======================= Grid point 778 (265/344) ======================= q-point: ( 0.60 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( 1.872 4.052 -1.475) 4.701 2.099 ( 7.083 14.168 1.094) 15.878 2.749 ( 6.915 9.540 -0.469) 11.792 3.867 ( 4.536 5.480 -1.175) 7.210 4.015 ( 2.351 2.970 2.479) 4.527 4.458 ( -0.485 -1.983 0.025) 2.042 4.588 ( 7.857 1.249 1.933) 8.187 4.760 ( -0.438 0.426 -2.344) 2.422 4.789 ( -1.642 0.810 -3.359) 3.826 5.641 ( -0.313 1.005 1.682) 1.984 6.424 ( 5.840 -15.327 6.810) 17.760 6.789 ( -22.233 3.277 -12.054) 25.502 ======================= Grid point 779 (266/344) ======================= q-point: ( 0.67 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( 2.245 3.386 -1.611) 4.370 2.327 ( 3.697 13.621 1.247) 14.169 2.916 ( 4.221 5.062 -0.871) 6.648 3.979 ( 1.945 6.301 -0.970) 6.665 4.100 ( 2.946 3.345 2.219) 4.979 4.407 ( -1.631 -3.061 -1.624) 3.830 4.670 ( -2.872 -1.559 -8.351) 8.967 4.752 ( 5.467 2.424 3.369) 6.864 4.814 ( 3.383 0.443 0.208) 3.418 5.647 ( -0.014 0.921 0.613) 1.107 6.310 ( -14.943 1.888 -1.975) 15.190 6.605 ( 5.153 -5.888 4.329) 8.942 ======================= Grid point 780 (267/344) ======================= q-point: ( 0.73 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( 1.697 2.776 -1.577) 3.616 2.491 ( -0.004 12.690 2.128) 12.867 2.969 ( -0.873 1.579 -2.719) 3.263 4.025 ( -2.211 3.564 -0.719) 4.256 4.170 ( -0.354 3.561 1.764) 3.989 4.363 ( -0.386 0.921 -3.498) 3.638 4.571 ( -3.177 0.257 -7.984) 8.597 4.866 ( 6.041 -1.799 2.863) 6.923 4.915 ( 5.814 2.493 1.384) 6.475 5.668 ( 0.789 1.512 -0.377) 1.747 6.087 ( -14.838 7.324 -0.176) 16.548 6.717 ( 12.243 -9.544 8.441) 17.670 ======================= Grid point 781 (268/344) ======================= q-point: (-0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( 0.849 2.116 -1.703) 2.845 2.582 ( -4.533 11.372 3.178) 12.648 2.913 ( -3.873 -0.939 -3.955) 5.615 3.979 ( -4.110 -0.124 0.124) 4.114 4.168 ( -3.993 4.363 0.011) 5.914 4.386 ( 0.847 3.960 -3.333) 5.245 4.527 ( -1.620 3.543 -6.301) 7.408 4.936 ( 3.052 -2.035 2.497) 4.437 5.027 ( 5.126 -0.642 0.084) 5.167 5.685 ( -0.803 1.783 -1.174) 2.281 5.976 ( -7.131 7.306 3.263) 10.718 6.861 ( 13.504 -11.297 6.872) 18.900 ======================= Grid point 791 (269/344) ======================= q-point: ( 0.47 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( -0.000 3.668 0.232) 3.675 1.616 ( -0.000 13.874 1.282) 13.933 2.453 ( 0.000 16.682 -4.034) 17.163 3.618 ( -0.000 3.944 2.401) 4.618 3.941 ( 0.000 2.934 -0.687) 3.013 4.320 ( -0.000 1.619 5.641) 5.869 4.439 ( -0.000 6.431 2.386) 6.860 4.616 ( -0.000 3.813 5.822) 6.959 4.954 ( 0.000 -2.107 -4.546) 5.010 5.580 ( 0.000 1.744 -0.042) 1.745 6.463 ( 0.000 -21.173 -0.846) 21.190 7.626 ( 0.000 -8.208 -15.229) 17.300 ======================= Grid point 792 (270/344) ======================= q-point: ( 0.53 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( 0.132 3.267 -1.757) 3.712 1.810 ( 7.101 12.738 0.454) 14.590 2.599 ( 1.807 12.623 -1.798) 12.878 3.701 ( 3.690 4.544 1.922) 6.161 3.971 ( 0.480 2.962 0.613) 3.063 4.372 ( 3.756 -1.926 6.568) 7.807 4.472 ( -0.242 0.410 0.370) 0.603 4.717 ( 0.773 7.814 6.957) 10.491 4.907 ( -2.278 1.052 -6.244) 6.729 5.612 ( 1.588 1.964 -0.018) 2.526 6.263 ( 2.050 -21.191 -0.642) 21.300 7.418 ( -11.128 -2.839 -16.473) 20.081 ======================= Grid point 793 (271/344) ======================= q-point: ( 0.60 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( 1.164 3.220 -1.706) 3.825 2.079 ( 10.047 11.877 -0.264) 15.558 2.746 ( 4.038 8.228 0.647) 9.188 3.827 ( 5.224 4.763 0.511) 7.088 4.022 ( 1.568 3.009 2.569) 4.256 4.427 ( 3.304 -6.004 1.903) 7.113 4.480 ( 2.498 -0.045 3.408) 4.226 4.790 ( -1.358 5.090 1.952) 5.618 4.867 ( -3.609 4.755 -5.155) 7.887 5.652 ( 0.642 1.300 0.086) 1.453 6.160 ( 7.824 -16.054 2.077) 17.979 7.111 ( -17.717 1.720 -14.857) 23.185 ======================= Grid point 794 (272/344) ======================= q-point: ( 0.67 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( 1.974 3.092 -0.909) 3.779 2.348 ( 8.552 11.226 -0.665) 14.128 2.888 ( 4.672 4.297 1.619) 6.551 3.967 ( 5.818 4.937 -0.316) 7.637 4.095 ( 1.986 3.158 3.404) 5.050 4.396 ( -0.506 -3.358 -0.732) 3.474 4.548 ( 5.639 -5.553 2.881) 8.422 4.818 ( -2.223 5.622 -0.260) 6.051 4.829 ( -2.956 4.918 -3.996) 6.992 5.657 ( -0.318 0.406 -0.359) 0.629 6.221 ( 11.680 -9.945 4.636) 16.025 6.783 ( -18.834 4.189 -10.332) 21.886 ======================= Grid point 795 (273/344) ======================= q-point: ( 0.73 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( 1.877 2.785 -0.476) 3.392 2.567 ( 5.197 10.415 0.035) 11.640 2.973 ( 1.538 0.852 0.406) 1.805 4.093 ( 1.913 4.679 -0.002) 5.055 4.158 ( 2.087 1.058 1.466) 2.762 4.366 ( -0.252 -0.022 -0.399) 0.473 4.560 ( 1.608 -3.449 -1.880) 4.244 4.814 ( 0.019 3.395 -0.165) 3.399 4.885 ( 1.960 4.327 -0.221) 4.755 5.666 ( 0.755 1.176 -0.159) 1.407 6.327 ( 2.995 -1.891 1.998) 4.067 6.528 ( -7.747 -1.677 -1.982) 8.170 ======================= Grid point 796 (274/344) ======================= q-point: ( 0.80 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( 1.045 2.249 -0.601) 2.552 2.721 ( 1.395 9.408 1.441) 9.620 2.951 ( -3.035 -2.205 -1.398) 4.004 4.079 ( -5.759 1.806 1.738) 6.281 4.201 ( 2.271 -1.245 -1.622) 3.055 4.390 ( 0.848 3.228 -0.101) 3.339 4.570 ( 0.299 5.242 -4.869) 7.161 4.873 ( 3.484 0.481 1.940) 4.017 4.953 ( 2.952 0.554 0.148) 3.007 5.698 ( 0.863 2.225 -0.840) 2.530 6.225 ( -12.952 6.590 0.765) 14.552 6.545 ( 12.236 -12.362 3.197) 17.685 ======================= Grid point 807 (275/344) ======================= q-point: ( 0.53 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( 0.000 2.640 -2.554) 3.673 1.859 ( 0.000 10.807 -0.303) 10.811 2.684 ( 0.000 8.656 -0.157) 8.658 3.726 ( -0.000 5.127 2.801) 5.843 3.994 ( 0.000 2.636 -0.120) 2.639 4.325 ( -0.000 -6.783 9.265) 11.482 4.479 ( -0.000 -0.081 1.148) 1.151 4.826 ( -0.000 8.397 6.036) 10.341 4.929 ( 0.000 4.768 -5.454) 7.244 5.612 ( 0.000 2.198 -1.776) 2.826 6.040 ( 0.000 -19.027 -2.739) 19.223 7.431 ( 0.000 -0.954 -17.439) 17.465 ======================= Grid point 808 (276/344) ======================= q-point: ( 0.60 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( 0.725 2.599 -1.556) 3.115 2.021 ( 7.689 9.123 -0.837) 11.960 2.766 ( 1.851 4.651 2.043) 5.407 3.809 ( 2.777 4.765 2.040) 5.880 4.029 ( 1.440 2.366 0.877) 2.906 4.306 ( 3.089 -8.547 7.141) 11.558 4.481 ( -0.144 -0.620 3.010) 3.076 4.879 ( -1.813 5.751 -2.425) 6.499 4.968 ( -2.681 7.470 0.224) 7.939 5.645 ( 1.651 2.001 -1.726) 3.116 5.904 ( 4.697 -13.676 -2.066) 14.607 7.295 ( -8.958 1.649 -16.343) 18.710 ======================= Grid point 809 (277/344) ======================= q-point: ( 0.67 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( 1.629 2.685 -0.026) 3.141 2.263 ( 11.293 7.898 -1.771) 13.894 2.855 ( 3.848 1.727 3.674) 5.594 3.915 ( 4.431 3.181 1.266) 5.599 4.096 ( 2.924 2.694 1.733) 4.337 4.310 ( 4.239 -6.928 3.093) 8.690 4.484 ( 0.286 -1.817 4.993) 5.321 4.895 ( -1.791 6.557 -3.389) 7.596 4.957 ( -5.517 5.379 -1.318) 7.817 5.662 ( -0.183 0.312 -1.168) 1.223 5.940 ( 11.416 -7.780 0.225) 13.817 7.070 ( -14.698 4.097 -13.131) 20.131 ======================= Grid point 810 (278/344) ======================= q-point: ( 0.73 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( 1.938 2.545 0.731) 3.282 2.514 ( 10.479 6.954 -2.209) 12.769 2.937 ( 3.318 -0.821 3.313) 4.760 4.018 ( 5.383 -0.136 0.483) 5.406 4.175 ( 2.460 2.198 0.994) 3.446 4.339 ( 3.115 -1.226 0.767) 3.434 4.495 ( 1.736 -2.415 6.280) 6.948 4.896 ( -4.280 4.162 -2.875) 6.626 4.930 ( -1.751 6.186 -1.544) 6.611 5.665 ( 0.552 0.729 0.154) 0.927 6.084 ( 12.887 -6.626 0.415) 14.497 6.807 ( -17.202 5.082 -8.456) 19.830 ======================= Grid point 823 (279/344) ======================= q-point: ( 0.60 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( 0.000 2.473 -0.251) 2.485 2.025 ( 0.000 6.771 -0.684) 6.806 2.787 ( -0.000 1.131 3.843) 4.006 3.838 ( -0.000 4.278 1.896) 4.680 4.034 ( -0.000 1.389 0.181) 1.401 4.223 ( -0.000 -8.769 8.143) 11.967 4.486 ( -0.000 -0.993 3.826) 3.953 4.936 ( 0.000 6.240 -4.825) 7.888 5.072 ( -0.000 6.189 2.285) 6.597 5.636 ( 0.000 2.120 -3.330) 3.948 5.748 ( 0.000 -8.634 -2.937) 9.120 7.333 ( 0.000 3.000 -16.190) 16.465 ======================= Grid point 824 (280/344) ======================= q-point: ( 0.67 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( 0.920 2.592 1.353) 3.065 2.149 ( 8.038 4.956 -1.170) 9.515 2.823 ( 2.248 -0.615 5.479) 5.954 3.897 ( 2.022 2.744 1.530) 3.736 4.064 ( 2.297 0.239 -0.211) 2.319 4.197 ( 3.101 -6.523 6.929) 10.009 4.490 ( -0.117 -1.017 4.537) 4.651 4.973 ( -1.235 6.730 -3.748) 7.802 5.083 ( -4.115 3.351 -0.664) 5.348 5.661 ( 0.331 0.590 -1.732) 1.860 5.724 ( 6.624 -3.381 -2.924) 7.991 7.252 ( -7.618 4.978 -14.255) 16.912 ======================= Grid point 825 (281/344) ======================= q-point: (-0.27 -0.40 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( 1.481 2.460 2.016) 3.509 2.359 ( 12.170 3.500 -2.441) 12.897 2.882 ( 3.236 -1.729 5.723) 6.798 3.959 ( 2.342 0.272 2.082) 3.146 4.100 ( 4.585 -2.968 -1.713) 5.724 4.265 ( 5.968 -0.265 5.725) 8.274 4.494 ( -0.214 -0.852 5.220) 5.293 4.986 ( -3.195 3.575 -2.176) 5.266 5.035 ( -3.857 4.776 -2.286) 6.551 5.660 ( 0.569 -0.054 0.012) 0.572 5.840 ( 9.971 -2.040 -2.917) 10.587 7.085 ( -13.292 6.230 -10.978) 18.331 ======================= Grid point 839 (282/344) ======================= q-point: (-0.33 -0.33 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( -0.000 2.853 2.707) 3.933 2.112 ( 0.000 2.612 -0.475) 2.655 2.816 ( -0.000 -0.961 7.003) 7.069 3.902 ( -0.000 1.096 0.653) 1.276 4.047 ( -0.000 -0.128 0.209) 0.245 4.131 ( -0.000 -5.971 6.826) 9.069 4.497 ( -0.000 -0.708 4.436) 4.492 5.036 ( 0.000 6.095 -2.391) 6.547 5.130 ( 0.000 0.312 -2.420) 2.440 5.648 ( 0.000 1.828 -4.165) 4.549 5.654 ( 0.000 -0.509 -1.303) 1.400 7.322 ( 0.000 6.654 -13.847) 15.363 ======================= Grid point 840 (283/344) ======================= q-point: (-0.27 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( 0.494 2.736 3.046) 4.124 2.195 ( 8.027 0.599 -1.123) 8.127 2.851 ( 1.572 -0.655 7.390) 7.584 3.935 ( 3.077 0.081 1.493) 3.421 4.015 ( -1.017 -4.147 0.130) 4.272 4.173 ( 6.309 -1.385 5.223) 8.307 4.507 ( -0.054 -0.451 4.356) 4.380 5.048 ( -2.334 -0.137 -2.174) 3.193 5.112 ( -1.622 3.577 -2.190) 4.497 5.644 ( 0.268 -0.222 -1.984) 2.014 5.710 ( 5.097 3.058 -2.866) 6.599 7.286 ( -7.221 7.863 -12.256) 16.253 ======================= Grid point 855 (284/344) ======================= q-point: (-0.27 -0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( -0.000 2.654 3.181) 4.143 2.117 ( 0.000 -1.880 -0.409) 1.924 2.868 ( -0.000 0.734 7.889) 7.923 3.886 ( -0.000 -3.150 0.786) 3.247 4.037 ( 0.000 -0.740 -0.354) 0.820 4.088 ( -0.000 -3.085 6.307) 7.021 4.518 ( -0.000 -0.279 3.813) 3.824 5.026 ( 0.000 -5.412 -3.829) 6.630 5.156 ( 0.000 3.371 -0.067) 3.372 5.650 ( 0.000 1.347 -4.069) 4.286 5.692 ( 0.000 5.738 -1.219) 5.866 7.386 ( 0.000 9.035 -12.577) 15.486 ======================= Grid point 968 (285/344) ======================= q-point: ( 0.27 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.726 ( -0.000 0.000 13.037) 13.037 0.726 ( -0.000 0.000 13.037) 13.037 1.299 ( -0.000 0.000 25.409) 25.409 3.509 ( 0.000 -0.000 -0.484) 0.484 3.509 ( 0.000 -0.000 -0.484) 0.484 3.885 ( 0.000 -0.000 -3.572) 3.572 3.885 ( 0.000 -0.000 -3.572) 3.572 4.809 ( 0.000 -0.000 -9.683) 9.683 5.627 ( -0.000 0.000 2.708) 2.708 5.627 ( -0.000 0.000 2.708) 2.708 6.095 ( -0.000 0.000 2.646) 2.646 9.463 ( -0.000 0.000 0.776) 0.776 ======================= Grid point 969 (286/344) ======================= q-point: ( 0.33 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( 6.846 3.952 10.184) 12.892 0.894 ( 9.715 5.609 13.496) 17.550 1.425 ( 4.613 2.663 16.473) 17.313 3.534 ( 1.673 0.966 -0.854) 2.112 3.615 ( 9.007 5.200 -1.302) 10.482 3.878 ( 0.381 0.220 -2.988) 3.021 3.982 ( 10.071 5.815 -3.353) 12.103 4.761 ( -1.193 -0.689 -8.290) 8.404 5.380 ( -12.591 -7.269 6.518) 15.933 5.681 ( 1.415 0.817 1.635) 2.312 6.382 ( 15.551 8.979 -4.596) 18.536 9.123 ( -27.841 -16.074 6.522) 32.803 ======================= Grid point 970 (287/344) ======================= q-point: ( 0.40 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 10.162 5.867 6.472) 13.400 1.136 ( 6.092 3.517 14.892) 16.470 1.659 ( 14.194 8.195 1.977) 16.508 3.579 ( 2.664 1.538 -0.970) 3.225 3.854 ( 12.010 6.934 0.964) 13.901 3.882 ( 0.885 0.511 -2.457) 2.661 4.265 ( 14.762 8.523 -3.987) 17.506 4.716 ( -0.162 -0.093 -4.798) 4.802 5.166 ( -9.077 -5.241 4.544) 11.424 5.694 ( -0.477 -0.275 -0.087) 0.558 6.620 ( 7.372 4.256 -6.983) 11.010 8.411 ( -36.588 -21.124 8.724) 43.139 ======================= Grid point 971 (288/344) ======================= q-point: ( 0.47 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( 4.266 2.463 8.186) 9.554 1.344 ( 11.483 6.630 3.490) 13.711 2.042 ( 18.908 10.917 -1.839) 21.911 3.645 ( 3.549 2.049 -0.959) 4.209 3.902 ( 1.607 0.928 -1.869) 2.633 4.133 ( 11.775 6.799 3.460) 14.030 4.511 ( 6.720 3.880 -5.915) 9.757 4.780 ( 8.219 4.745 -0.914) 9.535 4.985 ( -8.329 -4.809 1.464) 9.728 5.663 ( -1.990 -1.149 -1.298) 2.639 6.673 ( -0.182 -0.105 -6.463) 6.467 7.614 ( -36.253 -20.931 7.233) 42.482 ======================= Grid point 972 (289/344) ======================= q-point: ( 0.53 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( 5.276 3.046 1.654) 6.313 1.606 ( 11.063 6.387 1.685) 12.885 2.442 ( 16.901 9.758 -1.936) 19.611 3.726 ( 3.938 2.274 -1.161) 4.693 3.941 ( 2.304 1.330 -1.024) 2.850 4.377 ( 8.498 4.906 3.640) 10.466 4.579 ( 2.909 1.679 -2.564) 4.226 4.802 ( -8.118 -4.687 -0.902) 9.417 4.999 ( 9.943 5.740 -4.470) 12.320 5.608 ( -2.248 -1.298 -1.070) 2.808 6.520 ( -15.247 -8.803 -8.362) 19.490 6.974 ( -18.379 -10.611 11.526) 24.150 ======================= Grid point 973 (290/344) ======================= q-point: ( 0.60 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( 5.117 2.955 -1.756) 6.165 1.838 ( 9.134 5.274 0.909) 10.586 2.750 ( 10.996 6.349 -3.062) 13.061 3.807 ( 3.596 2.076 -1.449) 4.398 3.993 ( 2.386 1.378 -0.212) 2.764 4.498 ( 0.244 0.141 -1.319) 1.348 4.635 ( -4.057 -2.342 -4.612) 6.574 4.669 ( 4.672 2.697 5.243) 7.523 5.146 ( 4.913 2.837 -8.700) 10.386 5.567 ( -1.159 -0.669 0.692) 1.506 6.019 ( -21.119 -12.193 -3.196) 24.594 6.872 ( 0.182 0.105 13.620) 13.622 ======================= Grid point 974 (291/344) ======================= q-point: ( 0.67 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( 3.826 2.209 -3.034) 5.359 2.011 ( 6.044 3.490 0.617) 7.007 2.897 ( 3.660 2.113 -5.945) 7.294 3.872 ( 2.639 1.523 -1.226) 3.284 4.036 ( 1.339 0.773 0.061) 1.547 4.374 ( -7.126 -4.114 -5.897) 10.123 4.589 ( -0.901 -0.520 -3.962) 4.096 4.830 ( 7.628 4.404 3.991) 9.670 5.154 ( -1.250 -0.722 -5.601) 5.784 5.566 ( 0.464 0.268 2.987) 3.035 5.698 ( -7.254 -4.188 1.680) 8.543 6.984 ( 4.728 2.730 15.198) 16.149 ======================= Grid point 975 (292/344) ======================= q-point: ( 0.73 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( 2.791 1.611 -3.338) 4.640 2.107 ( 2.353 1.358 0.452) 2.754 2.898 ( -0.260 -0.150 -8.475) 8.481 3.909 ( 0.714 0.412 -0.757) 1.119 4.048 ( -0.227 -0.131 0.092) 0.278 4.205 ( -5.533 -3.194 -7.170) 9.603 4.547 ( -1.052 -0.607 -4.852) 5.002 5.013 ( 7.004 4.044 1.894) 8.306 5.103 ( -2.060 -1.189 2.492) 3.445 5.603 ( 1.467 0.847 4.372) 4.688 5.639 ( -0.090 -0.052 1.530) 1.533 7.170 ( 6.972 4.025 14.851) 16.893 ======================= Grid point 984 (293/344) ======================= q-point: ( 0.33 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( -0.000 6.154 10.000) 11.742 0.973 ( -0.000 13.270 11.931) 17.846 1.495 ( -0.000 4.797 15.092) 15.836 3.500 ( 0.000 0.178 -0.037) 0.182 3.637 ( 0.000 11.546 -1.818) 11.688 3.862 ( 0.000 0.306 -3.269) 3.283 3.943 ( 0.000 7.112 -1.806) 7.338 4.729 ( 0.000 -1.502 -8.187) 8.323 5.442 ( -0.000 -14.841 5.754) 15.917 5.591 ( -0.000 -2.662 2.964) 3.983 6.424 ( 0.000 21.696 -4.339) 22.125 9.162 ( -0.000 -28.183 4.561) 28.549 ======================= Grid point 985 (294/344) ======================= q-point: ( 0.40 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( 7.080 8.480 7.393) 13.292 1.176 ( 3.077 10.109 14.090) 17.612 1.617 ( 3.654 10.392 3.255) 11.486 3.539 ( 3.258 0.913 -0.289) 3.396 3.776 ( 3.911 8.577 -0.343) 9.433 3.890 ( 2.232 4.738 -2.382) 5.753 4.106 ( 10.800 8.402 -1.781) 13.799 4.687 ( 0.135 -1.487 -5.987) 6.171 5.253 ( -7.095 -9.553 4.665) 12.782 5.629 ( 4.160 -4.053 1.741) 6.063 6.614 ( 2.126 13.896 -5.692) 15.166 8.690 ( -21.615 -30.660 5.585) 37.927 ======================= Grid point 986 (295/344) ======================= q-point: ( 0.47 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( 6.965 8.707 6.270) 12.792 1.321 ( 2.012 6.257 9.244) 11.342 1.887 ( 12.913 15.477 -2.833) 20.355 3.609 ( 3.346 2.517 -0.880) 4.278 3.866 ( 2.682 0.869 -1.006) 2.994 4.059 ( 7.686 10.660 1.900) 13.279 4.381 ( 11.819 6.444 -4.399) 14.162 4.688 ( 4.001 -0.052 -2.510) 4.723 5.066 ( -7.223 -7.174 2.038) 10.382 5.643 ( 1.241 -3.096 0.439) 3.364 6.698 ( -1.100 5.812 -4.666) 7.535 7.972 ( -30.686 -27.902 4.464) 41.715 ======================= Grid point 987 (296/344) ======================= q-point: ( 0.53 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( 2.104 3.620 4.460) 6.118 1.550 ( 7.904 12.211 2.167) 14.707 2.269 ( 15.666 13.566 -2.090) 20.828 3.691 ( 3.323 3.615 -1.403) 5.107 3.914 ( 2.289 1.637 -0.747) 2.911 4.300 ( 8.596 7.216 3.366) 11.717 4.528 ( 4.098 2.409 -4.465) 6.521 4.830 ( 11.187 1.537 -3.632) 11.862 4.883 ( -7.536 -6.015 -0.032) 9.643 5.623 ( -1.012 -1.196 0.355) 1.607 6.664 ( -6.803 2.167 -4.243) 8.305 7.230 ( -27.444 -23.119 6.120) 36.402 ======================= Grid point 988 (297/344) ======================= q-point: ( 0.60 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( 3.548 3.779 0.244) 5.190 1.795 ( 6.640 11.810 1.301) 13.611 2.618 ( 12.609 9.592 -2.085) 15.980 3.776 ( 3.026 4.078 -1.903) 5.423 3.972 ( 2.350 2.382 -0.042) 3.347 4.471 ( 3.974 2.414 0.898) 4.736 4.604 ( 3.741 3.046 -3.994) 6.263 4.712 ( -5.839 -4.360 2.432) 7.683 4.986 ( 9.298 -1.781 -8.008) 12.400 5.600 ( -1.582 0.918 1.233) 2.206 6.336 ( -26.658 -4.595 -6.613) 27.848 6.879 ( -0.247 -9.251 14.249) 16.991 ======================= Grid point 989 (298/344) ======================= q-point: ( 0.67 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( 3.440 3.156 -1.742) 4.983 1.999 ( 4.122 10.495 1.139) 11.333 2.835 ( 5.806 5.077 -4.004) 8.690 3.854 ( 2.277 4.035 -1.878) 4.999 4.031 ( 1.451 2.635 0.302) 3.023 4.436 ( -6.046 -3.274 -4.557) 8.248 4.589 ( -1.377 0.427 -5.721) 5.900 4.765 ( 6.380 2.952 5.752) 9.084 5.054 ( 6.065 -4.532 -6.204) 9.788 5.604 ( -0.564 2.510 2.202) 3.387 5.892 ( -18.746 -0.625 -1.280) 18.800 6.941 ( 6.499 -3.869 15.664) 17.394 ======================= Grid point 990 (299/344) ======================= q-point: ( 0.73 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( 2.515 2.329 -2.628) 4.319 2.137 ( 0.607 8.890 1.145) 8.984 2.887 ( -0.486 1.857 -6.663) 6.934 3.913 ( 0.971 3.370 -1.458) 3.799 4.060 ( -0.942 1.392 0.444) 1.738 4.271 ( -6.959 -1.043 -6.902) 9.857 4.544 ( -1.367 -0.592 -5.517) 5.715 4.934 ( 7.593 3.391 3.471) 9.011 5.077 ( 3.128 -3.876 0.312) 4.991 5.641 ( 0.703 2.357 2.153) 3.269 5.696 ( -7.682 3.354 2.337) 8.702 7.097 ( 8.947 -2.437 15.011) 17.645 ======================= Grid point 1000 (300/344) ======================= q-point: ( 0.40 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( -0.000 11.008 6.234) 12.650 1.301 ( -0.000 8.589 13.895) 16.335 1.714 ( 0.000 14.811 -2.096) 14.959 3.516 ( -0.000 1.296 0.730) 1.487 3.857 ( 0.000 1.306 -2.220) 2.576 3.891 ( 0.000 14.917 -0.357) 14.921 4.104 ( -0.000 9.084 1.522) 9.211 4.650 ( 0.000 -1.639 -4.686) 4.965 5.224 ( -0.000 -11.264 3.417) 11.771 5.570 ( -0.000 -1.589 2.918) 3.322 6.709 ( 0.000 10.733 -5.914) 12.255 8.561 ( -0.000 -34.647 1.933) 34.701 ======================= Grid point 1001 (301/344) ======================= q-point: ( 0.47 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( 6.334 12.207 4.539) 14.481 1.397 ( -0.548 3.585 9.832) 10.480 1.903 ( 4.472 19.919 -4.998) 21.018 3.569 ( 3.594 2.146 0.575) 4.225 3.858 ( -0.046 2.687 -0.708) 2.779 4.081 ( 4.111 12.595 0.764) 13.271 4.266 ( 7.879 8.173 0.988) 11.395 4.633 ( 1.229 -0.950 -1.853) 2.418 5.093 ( -4.300 -8.728 1.169) 9.799 5.590 ( 2.246 -1.533 2.354) 3.597 6.751 ( -0.935 3.090 -4.596) 5.617 8.090 ( -16.548 -31.430 -1.416) 35.548 ======================= Grid point 1002 (302/344) ======================= q-point: ( 0.53 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( -0.278 3.375 4.232) 5.420 1.556 ( 8.029 13.380 2.402) 15.788 2.197 ( 9.561 18.037 -2.958) 20.627 3.664 ( 4.030 3.539 -0.470) 5.384 3.897 ( 1.627 2.625 0.078) 3.089 4.271 ( 5.395 9.201 2.650) 10.990 4.457 ( 6.177 4.279 -2.981) 8.084 4.685 ( 5.870 0.551 0.778) 5.947 4.933 ( -5.856 -6.472 -1.255) 8.818 5.618 ( 1.159 -0.518 2.110) 2.462 6.721 ( -0.906 -2.467 -1.181) 2.881 7.452 ( -24.930 -24.417 -3.775) 35.099 ======================= Grid point 1003 (303/344) ======================= q-point: ( 0.60 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( 1.550 3.792 0.836) 4.181 1.824 ( 6.739 14.463 1.436) 16.021 2.519 ( 10.972 13.265 -1.452) 17.276 3.763 ( 3.379 4.826 -1.523) 6.085 3.959 ( 2.287 3.052 0.735) 3.883 4.435 ( 4.185 4.317 1.508) 6.199 4.555 ( 4.420 2.731 -1.678) 5.460 4.762 ( -3.460 -4.272 -0.988) 5.585 4.812 ( 4.673 -1.048 -3.551) 5.962 5.632 ( -0.400 0.713 1.912) 2.080 6.673 ( -8.575 1.528 -4.184) 9.662 6.834 ( -15.468 -20.954 4.417) 26.417 ======================= Grid point 1004 (304/344) ======================= q-point: ( 0.67 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( 2.522 3.674 -0.635) 4.502 2.061 ( 4.249 14.198 1.393) 14.885 2.777 ( 7.366 8.299 -1.992) 11.274 3.857 ( 2.418 5.641 -1.932) 6.434 4.034 ( 2.214 3.680 0.944) 4.397 4.463 ( -1.942 -2.621 -1.413) 3.555 4.613 ( -2.319 2.739 -8.375) 9.112 4.717 ( 3.933 1.154 6.347) 7.555 4.877 ( 6.702 -4.056 -3.776) 8.697 5.636 ( -0.554 0.993 1.669) 2.019 6.253 ( -24.182 0.788 -6.338) 25.011 6.796 ( 9.002 -9.795 13.504) 18.956 ======================= Grid point 1005 (305/344) ======================= q-point: ( 0.73 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( 2.128 3.061 -1.394) 3.980 2.244 ( 0.972 13.305 1.910) 13.477 2.896 ( 0.959 4.238 -4.097) 5.972 3.931 ( 0.781 5.103 -1.761) 5.455 4.099 ( 0.321 3.941 0.762) 4.026 4.352 ( -5.988 -1.384 -4.509) 7.623 4.548 ( -2.653 -0.205 -6.933) 7.426 4.855 ( 6.773 2.805 3.822) 8.267 4.948 ( 6.973 -3.908 0.385) 8.002 5.650 ( 0.401 0.752 1.268) 1.528 5.946 ( -15.189 6.258 -1.018) 16.460 6.929 ( 10.978 -8.202 13.471) 19.216 ======================= Grid point 1016 (306/344) ======================= q-point: ( 0.47 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( -0.000 13.351 2.966) 13.677 1.455 ( -0.000 1.497 5.611) 5.807 2.055 ( 0.000 21.764 -5.292) 22.398 3.563 ( -0.000 2.679 1.849) 3.255 3.883 ( 0.000 2.542 -1.045) 2.749 4.178 ( -0.000 13.311 1.312) 13.375 4.297 ( -0.000 8.383 5.079) 9.802 4.614 ( -0.000 -0.257 0.650) 0.699 5.048 ( 0.000 -8.222 -0.385) 8.231 5.569 ( -0.000 -0.350 2.082) 2.111 6.736 ( 0.000 -5.052 -3.674) 6.247 7.918 ( 0.000 -27.973 -7.541) 28.971 ======================= Grid point 1017 (307/344) ======================= q-point: ( 0.53 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( -0.615 2.120 1.145) 2.487 1.558 ( 6.899 13.173 1.670) 14.964 2.270 ( 3.170 19.833 -3.183) 20.336 3.631 ( 3.419 3.475 1.637) 5.143 3.911 ( 0.508 3.192 -0.153) 3.236 4.310 ( 1.954 8.904 2.627) 9.487 4.422 ( 3.108 5.977 2.097) 7.055 4.645 ( 1.948 2.146 4.646) 5.476 4.942 ( -3.288 -6.125 -2.718) 7.464 5.594 ( 1.965 0.153 1.731) 2.623 6.639 ( 0.795 -13.465 -0.549) 13.500 7.538 ( -13.248 -18.527 -12.256) 25.864 ======================= Grid point 1018 (308/344) ======================= q-point: ( 0.60 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( 0.624 3.047 -0.546) 3.158 1.832 ( 9.082 13.558 0.762) 16.337 2.512 ( 6.027 15.446 -0.987) 16.609 3.739 ( 4.297 4.422 0.403) 6.180 3.962 ( 1.584 3.585 0.786) 3.997 4.433 ( 2.563 5.379 1.990) 6.282 4.502 ( 3.322 0.501 1.481) 3.671 4.730 ( 2.009 2.852 3.724) 5.103 4.818 ( -4.291 -2.726 -4.716) 6.935 5.636 ( 1.421 0.625 1.412) 2.098 6.537 ( 5.447 -18.244 5.337) 19.774 7.075 ( -21.037 -6.535 -14.358) 26.295 ======================= Grid point 1019 (309/344) ======================= q-point: ( 0.67 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( 1.872 3.562 -0.517) 4.057 2.106 ( 7.480 13.624 0.386) 15.547 2.746 ( 6.526 10.394 -0.175) 12.274 3.857 ( 3.893 5.784 -0.551) 6.993 4.035 ( 2.276 3.817 1.130) 4.586 4.459 ( -1.011 -2.190 0.014) 2.412 4.604 ( 5.244 1.638 0.942) 5.574 4.733 ( -3.141 2.236 -1.778) 4.246 4.771 ( 1.323 -0.662 -0.671) 1.625 5.652 ( -0.175 0.201 0.562) 0.622 6.503 ( 3.715 -16.917 7.162) 18.743 6.672 ( -15.065 3.045 -8.939) 17.780 ======================= Grid point 1020 (310/344) ======================= q-point: ( 0.73 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( 1.982 3.376 -0.397) 3.935 2.339 ( 4.476 13.249 1.025) 14.022 2.904 ( 2.826 5.833 -1.381) 6.627 3.969 ( 1.810 6.983 -0.647) 7.242 4.113 ( 2.361 3.618 -0.014) 4.320 4.395 ( -2.640 -2.767 -0.568) 3.866 4.594 ( -5.046 -0.004 -5.985) 7.828 4.789 ( 5.870 0.783 3.687) 6.976 4.816 ( 4.560 0.953 0.215) 4.664 5.653 ( 0.134 0.226 0.465) 0.534 6.272 ( -16.456 4.590 -4.695) 17.718 6.679 ( 11.233 -10.609 9.144) 17.954 ======================= Grid point 1032 (311/344) ======================= q-point: ( 0.53 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( 0.000 1.736 -1.665) 2.405 1.626 ( -0.000 13.021 0.566) 13.033 2.421 ( 0.000 17.834 -1.881) 17.933 3.646 ( -0.000 4.200 2.934) 5.123 3.935 ( 0.000 3.163 -0.398) 3.188 4.377 ( -0.000 5.227 4.954) 7.201 4.460 ( -0.000 3.245 1.778) 3.700 4.696 ( -0.000 6.759 9.293) 11.491 4.905 ( 0.000 -4.447 -4.569) 6.376 5.581 ( -0.000 0.589 0.392) 0.707 6.454 ( -0.000 -21.354 -0.715) 21.366 7.455 ( 0.000 -10.528 -17.102) 20.083 ======================= Grid point 1033 (312/344) ======================= q-point: ( 0.60 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( 0.488 2.706 -1.995) 3.397 1.812 ( 7.177 12.072 -0.179) 14.046 2.590 ( 2.117 13.905 0.081) 14.066 3.725 ( 2.826 4.622 2.499) 5.966 3.975 ( 1.162 3.311 0.041) 3.509 4.448 ( 2.355 0.654 7.638) 8.019 4.476 ( -0.153 -0.051 0.486) 0.512 4.798 ( -1.375 6.017 8.092) 10.177 4.840 ( -2.069 0.881 -6.323) 6.711 5.612 ( 2.307 0.929 -0.088) 2.488 6.264 ( 3.895 -22.570 0.895) 22.921 7.235 ( -10.311 -3.115 -18.119) 21.079 ======================= Grid point 1034 (313/344) ======================= q-point: ( 0.67 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( 1.527 3.402 -0.666) 3.788 2.073 ( 10.147 11.196 -0.901) 15.137 2.758 ( 4.007 9.490 1.569) 10.420 3.838 ( 4.277 4.868 1.484) 6.648 4.038 ( 2.212 3.637 0.413) 4.277 4.447 ( -0.185 -4.800 1.746) 5.111 4.533 ( 3.760 -0.390 6.631) 7.633 4.779 ( -1.851 3.138 -4.867) 6.080 4.845 ( -4.525 5.622 1.785) 7.434 5.649 ( 0.909 0.427 -0.767) 1.263 6.195 ( 10.592 -18.001 4.527) 21.372 6.950 ( -15.716 2.574 -15.450) 22.188 ======================= Grid point 1048 (314/344) ======================= q-point: ( 0.60 0.60 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( 0.000 3.109 -1.654) 3.522 1.855 ( 0.000 10.511 -0.611) 10.529 2.693 ( -0.000 10.106 1.797) 10.264 3.757 ( -0.000 4.806 2.928) 5.628 3.992 ( 0.000 2.801 -0.106) 2.803 4.419 ( -0.000 -6.993 8.108) 10.707 4.499 ( -0.000 1.859 3.104) 3.619 4.831 ( 0.000 1.635 -6.169) 6.382 4.938 ( -0.000 9.055 8.060) 12.122 5.594 ( 0.000 1.124 -1.704) 2.041 6.015 ( 0.000 -20.242 -1.850) 20.326 7.238 ( 0.000 -0.168 -19.092) 19.093 ======================= Grid point 1049 (315/344) ======================= q-point: (-0.33 -0.40 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( 0.944 3.513 0.049) 3.638 2.011 ( 7.399 8.892 -1.069) 11.617 2.795 ( 1.822 6.090 3.480) 7.247 3.832 ( 2.414 4.369 2.254) 5.477 4.033 ( 1.832 2.560 -0.049) 3.149 4.379 ( 1.309 -8.488 6.373) 10.694 4.526 ( 0.428 -0.196 5.580) 5.600 4.829 ( -1.277 5.386 -6.064) 8.211 4.997 ( -4.656 6.058 4.511) 8.873 5.626 ( 2.257 1.339 -2.009) 3.305 5.890 ( 6.551 -14.737 -0.676) 16.142 7.117 ( -7.891 2.985 -17.409) 19.346 ======================= Grid point 1064 (316/344) ======================= q-point: (-0.33 -0.33 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( -0.000 3.612 1.591) 3.947 2.018 ( 0.000 6.855 -0.710) 6.891 2.836 ( -0.000 2.543 5.439) 6.004 3.857 ( -0.000 3.569 1.672) 3.942 4.036 ( -0.000 1.519 0.124) 1.524 4.305 ( -0.000 -8.991 7.350) 11.613 4.536 ( -0.000 -1.088 5.487) 5.594 4.881 ( 0.000 7.377 -5.428) 9.159 5.105 ( -0.000 2.883 3.891) 4.843 5.600 ( 0.000 1.442 -3.478) 3.765 5.720 ( 0.000 -8.221 -2.426) 8.572 7.156 ( 0.000 4.644 -17.178) 17.794 ======================= Grid point 1209 (317/344) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( -0.000 0.000 9.723) 9.723 0.845 ( -0.000 0.000 9.723) 9.723 1.538 ( -0.000 0.000 20.059) 20.059 3.503 ( 0.000 -0.000 -0.701) 0.701 3.503 ( 0.000 -0.000 -0.701) 0.701 3.851 ( 0.000 -0.000 -2.793) 2.793 3.851 ( 0.000 -0.000 -2.793) 2.793 4.711 ( 0.000 -0.000 -8.778) 8.778 5.653 ( -0.000 0.000 2.289) 2.289 5.653 ( -0.000 0.000 2.289) 2.289 6.120 ( -0.000 0.000 2.082) 2.082 9.470 ( -0.000 0.000 0.675) 0.675 ======================= Grid point 1210 (318/344) ======================= q-point: ( 0.40 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( 5.739 3.313 7.169) 9.763 1.019 ( 11.508 6.644 10.242) 16.777 1.579 ( -1.246 -0.719 12.635) 12.717 3.523 ( 1.570 0.906 -1.180) 2.163 3.608 ( 9.264 5.349 -0.141) 10.698 3.850 ( 0.524 0.302 -2.280) 2.359 3.951 ( 9.891 5.710 -2.554) 11.703 4.677 ( -0.269 -0.155 -7.397) 7.404 5.438 ( -12.111 -6.992 4.674) 14.745 5.692 ( 0.732 0.423 0.456) 0.961 6.351 ( 13.174 7.606 -1.561) 15.292 9.174 ( -25.107 -14.496 3.574) 29.211 ======================= Grid point 1211 (319/344) ======================= q-point: ( 0.47 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 9.063 5.232 4.210) 11.280 1.295 ( 5.476 3.162 15.147) 16.414 1.661 ( 10.419 6.015 -1.552) 12.130 3.565 ( 2.671 1.542 -1.504) 3.432 3.860 ( 1.032 0.596 -1.795) 2.154 3.869 ( 13.057 7.539 1.714) 15.174 4.223 ( 13.765 7.947 -3.987) 16.386 4.663 ( 1.490 0.861 -5.087) 5.370 5.208 ( -10.053 -5.804 3.585) 12.149 5.687 ( -1.010 -0.583 -1.400) 1.823 6.574 ( 6.816 3.935 -2.059) 8.135 8.485 ( -36.152 -20.872 5.642) 42.124 ======================= Grid point 1212 (320/344) ======================= q-point: ( 0.53 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( 3.016 1.741 7.179) 7.979 1.373 ( 8.261 4.769 3.709) 10.235 2.019 ( 19.243 11.110 -2.238) 22.333 3.630 ( 3.567 2.059 -1.906) 4.538 3.886 ( 1.844 1.065 -1.134) 2.413 4.167 ( 12.320 7.113 2.907) 14.520 4.449 ( 7.006 4.045 -5.687) 9.888 4.746 ( 7.825 4.518 -5.022) 10.337 5.005 ( -9.138 -5.276 2.166) 10.771 5.645 ( -1.966 -1.135 -2.087) 3.084 6.637 ( -0.856 -0.494 -0.599) 1.156 7.687 ( -35.435 -20.459 6.938) 41.501 ======================= Grid point 1213 (321/344) ======================= q-point: ( 0.60 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( 2.857 1.649 3.125) 4.544 1.621 ( 10.752 6.208 1.057) 12.460 2.424 ( 16.703 9.644 -1.530) 19.348 3.707 ( 3.954 2.283 -2.431) 5.172 3.934 ( 2.582 1.491 -0.353) 3.002 4.407 ( 7.699 4.445 1.929) 9.097 4.538 ( 3.695 2.133 -4.963) 6.545 4.810 ( -7.008 -4.046 2.059) 8.350 4.926 ( 7.614 4.396 -8.890) 12.503 5.597 ( -1.550 -0.895 -1.011) 2.055 6.464 ( -16.680 -9.630 -2.840) 19.469 7.110 ( -15.491 -8.944 14.577) 23.075 ======================= Grid point 1214 (322/344) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( 3.791 2.189 0.076) 4.379 1.847 ( 9.022 5.209 0.827) 10.451 2.719 ( 9.935 5.736 -2.870) 11.826 3.786 ( 3.841 2.218 -2.479) 5.081 3.992 ( 2.489 1.437 0.016) 2.874 4.477 ( -3.436 -1.984 -3.082) 5.024 4.556 ( 0.802 0.463 -7.622) 7.678 4.752 ( 1.837 1.060 8.187) 8.458 5.041 ( 5.588 3.226 -10.668) 12.467 5.578 ( -0.114 -0.066 1.324) 1.330 6.004 ( -18.956 -10.944 0.033) 21.888 7.041 ( 0.131 0.076 18.058) 18.059 ======================= Grid point 1225 (323/344) ======================= q-point: ( 0.40 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( -0.000 5.350 7.129) 8.913 1.078 ( -0.000 15.118 7.874) 17.046 1.631 ( -0.000 -1.795 10.615) 10.765 3.499 ( 0.000 0.569 -0.066) 0.573 3.623 ( 0.000 11.456 -0.928) 11.494 3.834 ( 0.000 0.345 -2.021) 2.050 3.928 ( 0.000 8.306 -1.141) 8.384 4.650 ( 0.000 -0.534 -6.590) 6.612 5.487 ( -0.000 -13.996 2.958) 14.306 5.623 ( -0.000 -2.468 3.044) 3.919 6.388 ( 0.000 18.642 -2.681) 18.834 9.197 ( -0.000 -26.619 2.255) 26.714 ======================= Grid point 1226 (324/344) ======================= q-point: ( 0.47 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( 6.126 7.992 4.698) 11.112 1.312 ( 5.217 12.492 11.558) 17.800 1.632 ( 0.242 3.159 -0.146) 3.172 3.535 ( 2.523 1.472 -0.390) 2.947 3.775 ( 4.435 8.196 0.155) 9.320 3.872 ( 3.108 5.652 -1.160) 6.554 4.091 ( 9.051 9.484 -1.098) 13.156 4.630 ( 0.672 -0.129 -4.680) 4.730 5.292 ( -7.228 -10.394 2.857) 12.978 5.645 ( 2.569 -3.148 1.251) 4.251 6.568 ( 2.792 12.396 -3.209) 13.106 8.733 ( -20.443 -31.518 2.833) 37.674 ======================= Grid point 1227 (325/344) ======================= q-point: ( 0.53 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( 7.485 10.464 2.458) 13.098 1.426 ( -1.711 0.559 9.675) 9.841 1.851 ( 14.104 15.631 -3.642) 21.367 3.598 ( 2.740 2.911 -1.199) 4.174 3.857 ( 2.361 1.259 -0.688) 2.763 4.080 ( 8.887 11.037 1.853) 14.291 4.337 ( 9.648 6.697 -3.888) 12.372 4.657 ( 4.110 1.633 -3.106) 5.404 5.086 ( -7.516 -8.451 1.602) 11.423 5.644 ( 0.032 -1.629 -0.326) 1.661 6.669 ( -0.049 5.032 -1.017) 5.134 8.012 ( -29.090 -30.115 3.356) 42.005 ======================= Grid point 1228 (326/344) ======================= q-point: ( 0.60 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( 0.435 1.353 4.221) 4.454 1.566 ( 7.508 12.186 0.943) 14.344 2.251 ( 16.050 13.590 -1.182) 21.064 3.672 ( 2.895 3.827 -2.076) 5.228 3.910 ( 2.321 2.099 -0.157) 3.134 4.328 ( 8.455 7.082 1.773) 11.171 4.481 ( 4.505 3.338 -4.297) 7.064 4.773 ( 7.771 2.605 -6.511) 10.468 4.893 ( -6.661 -7.331 1.728) 10.055 5.622 ( -1.482 0.451 -0.549) 1.643 6.637 ( -8.810 0.107 -1.143) 8.884 7.308 ( -21.736 -23.721 8.840) 33.366 ======================= Grid point 1229 (327/344) ======================= q-point: ( 0.67 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( 2.405 2.572 1.526) 3.838 1.806 ( 6.570 12.002 0.794) 13.705 2.599 ( 11.905 9.329 -1.471) 15.196 3.752 ( 2.913 4.294 -2.602) 5.805 3.973 ( 2.314 2.724 0.243) 3.582 4.475 ( 2.660 1.444 0.054) 3.027 4.534 ( -0.073 2.001 -7.944) 8.192 4.767 ( -1.372 -3.186 6.554) 7.415 4.894 ( 7.958 0.237 -9.208) 12.172 5.609 ( -1.284 2.019 0.499) 2.444 6.285 ( -23.939 -6.267 -3.286) 24.963 7.047 ( 1.168 -9.947 17.456) 20.125 ======================= Grid point 1241 (328/344) ======================= q-point: ( 0.47 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( -0.000 10.011 4.078) 10.810 1.437 ( -0.000 9.463 11.868) 15.179 1.669 ( 0.000 9.252 -6.526) 11.322 3.524 ( -0.000 1.812 0.890) 2.018 3.841 ( 0.000 1.463 -0.918) 1.727 3.892 ( 0.000 15.609 0.316) 15.613 4.124 ( -0.000 10.904 2.196) 11.123 4.610 ( 0.000 0.109 -2.800) 2.802 5.249 ( -0.000 -12.058 1.411) 12.141 5.603 ( -0.000 -1.887 3.274) 3.779 6.651 ( 0.000 10.332 -5.205) 11.569 8.570 ( -0.000 -37.149 -0.178) 37.149 ======================= Grid point 1242 (329/344) ======================= q-point: ( 0.53 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( 6.230 11.666 2.430) 13.447 1.484 ( -1.639 -1.367 5.841) 6.219 1.849 ( 5.687 21.175 -4.636) 22.410 3.576 ( 2.768 2.684 0.770) 3.932 3.852 ( 0.271 2.769 -0.266) 2.795 4.091 ( 4.720 13.371 0.825) 14.204 4.280 ( 4.957 9.286 1.640) 10.653 4.621 ( 1.418 1.436 -0.276) 2.037 5.101 ( -4.495 -10.113 0.266) 11.071 5.615 ( 1.645 -1.440 2.253) 3.139 6.706 ( 0.248 3.706 -3.818) 5.327 8.070 ( -15.334 -35.641 -2.258) 38.865 ======================= Grid point 1243 (330/344) ======================= q-point: ( 0.60 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( -0.440 0.750 1.761) 1.964 1.573 ( 7.711 13.168 0.835) 15.282 2.174 ( 10.394 18.403 -1.237) 21.171 3.659 ( 3.001 3.959 -0.242) 4.974 3.898 ( 1.744 3.029 0.077) 3.496 4.294 ( 5.592 9.476 1.355) 11.086 4.432 ( 4.265 5.302 -1.413) 6.950 4.689 ( 3.758 2.912 0.127) 4.756 4.924 ( -5.590 -8.286 -0.438) 10.005 5.635 ( 0.640 0.088 0.909) 1.115 6.713 ( -0.221 -0.425 -0.395) 0.621 7.424 ( -21.132 -30.080 -1.446) 36.789 ======================= Grid point 1244 (331/344) ======================= q-point: ( 0.67 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( 1.502 2.454 0.921) 3.021 1.834 ( 6.818 14.486 0.362) 16.014 2.509 ( 10.817 13.347 -0.388) 17.184 3.748 ( 2.604 5.218 -1.192) 5.952 3.965 ( 2.321 3.448 0.242) 4.164 4.444 ( 3.471 3.790 -0.013) 5.140 4.527 ( 2.184 4.161 -3.094) 5.626 4.769 ( 3.041 -0.126 -1.906) 3.591 4.778 ( -2.068 -4.337 0.939) 4.896 5.643 ( -0.476 1.169 0.144) 1.270 6.604 ( -18.142 -0.653 -7.205) 19.532 6.932 ( -0.675 -22.029 12.419) 25.297 ======================= Grid point 1257 (332/344) ======================= q-point: ( 0.53 0.53 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( -0.000 12.489 1.451) 12.573 1.487 ( -0.000 -2.074 0.065) 2.076 2.011 ( 0.000 23.059 -2.772) 23.225 3.584 ( -0.000 3.258 2.182) 3.922 3.877 ( 0.000 2.601 -0.245) 2.613 4.191 ( -0.000 13.953 0.812) 13.977 4.347 ( -0.000 8.827 4.478) 9.898 4.635 ( -0.000 3.065 3.601) 4.729 5.041 ( 0.000 -9.794 -1.004) 9.845 5.594 ( -0.000 -1.218 2.499) 2.780 6.693 ( 0.000 -2.959 -4.278) 5.202 7.838 ( 0.000 -33.591 -7.627) 34.446 ======================= Grid point 1258 (333/344) ======================= q-point: ( 0.60 0.53 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( -0.111 0.424 -1.959) 2.007 1.569 ( 6.893 12.672 0.399) 14.431 2.249 ( 3.584 20.594 -0.839) 20.920 3.650 ( 2.530 3.957 2.047) 5.123 3.909 ( 0.791 3.253 -0.088) 3.349 4.332 ( 2.005 10.180 1.110) 10.435 4.444 ( 1.334 5.589 2.583) 6.300 4.704 ( 0.665 5.335 6.444) 8.392 4.915 ( -3.412 -8.173 -2.389) 9.173 5.611 ( 1.999 -0.539 1.466) 2.537 6.634 ( 2.584 -10.685 -0.299) 10.997 7.414 ( -11.896 -24.602 -11.240) 29.549 ======================= Grid point 1273 (334/344) ======================= q-point: (-0.40 -0.40 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( 0.000 1.603 -3.137) 3.522 1.628 ( 0.000 12.504 -0.259) 12.507 2.413 ( 0.000 18.785 0.270) 18.787 3.678 ( -0.000 4.435 3.008) 5.359 3.932 ( 0.000 3.165 -0.096) 3.167 4.412 ( -0.000 8.103 1.274) 8.203 4.487 ( -0.000 2.592 4.005) 4.771 4.798 ( -0.000 7.011 8.455) 10.984 4.865 ( 0.000 -5.526 -1.693) 5.780 5.588 ( -0.000 -0.661 0.768) 1.013 6.450 ( -0.000 -20.684 0.143) 20.685 7.275 ( 0.000 -13.906 -16.778) 21.791 ======================= Grid point 1451 (335/344) ======================= q-point: ( 0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( -0.000 0.000 6.001) 6.001 0.928 ( -0.000 0.000 6.001) 6.001 1.713 ( -0.000 0.000 13.029) 13.029 3.495 ( 0.000 -0.000 -0.653) 0.653 3.495 ( 0.000 -0.000 -0.653) 0.653 3.827 ( 0.000 -0.000 -1.703) 1.703 3.827 ( 0.000 -0.000 -1.703) 1.703 4.631 ( 0.000 -0.000 -6.232) 6.232 5.673 ( -0.000 0.000 1.521) 1.521 5.673 ( -0.000 0.000 1.521) 1.521 6.138 ( -0.000 0.000 1.315) 1.315 9.476 ( -0.000 0.000 0.457) 0.457 ======================= Grid point 1452 (336/344) ======================= q-point: ( 0.47 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( 4.995 2.884 3.655) 6.828 1.105 ( 13.192 7.616 6.113) 16.414 1.685 ( -5.195 -3.000 7.452) 9.566 3.511 ( 1.371 0.791 -1.033) 1.890 3.610 ( 9.821 5.670 0.291) 11.344 3.830 ( 0.568 0.328 -1.463) 1.603 3.929 ( 9.478 5.472 -1.488) 11.045 4.612 ( 0.176 0.101 -4.752) 4.756 5.479 ( -11.764 -6.792 3.065) 13.926 5.690 ( -0.095 -0.055 -0.760) 0.768 6.344 ( 12.324 7.115 0.078) 14.231 9.202 ( -23.548 -13.596 1.781) 27.250 ======================= Grid point 1453 (337/344) ======================= q-point: ( 0.53 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( 8.446 4.876 1.464) 9.862 1.446 ( 7.432 4.291 13.450) 15.954 1.626 ( 6.393 3.691 -5.178) 9.017 3.549 ( 2.451 1.415 -1.500) 3.203 3.844 ( 1.171 0.676 -1.095) 1.740 3.886 ( 13.696 7.908 1.259) 15.865 4.183 ( 12.428 7.175 -3.497) 14.771 4.617 ( 1.859 1.073 -3.429) 4.045 5.239 ( -10.501 -6.063 2.235) 12.330 5.666 ( -1.424 -0.822 -2.457) 2.957 6.573 ( 7.131 4.117 1.572) 8.383 8.532 ( -35.215 -20.332 3.460) 40.810 ======================= Grid point 1454 (338/344) ======================= q-point: ( 0.60 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( 10.534 6.082 0.314) 12.168 1.454 ( -2.034 -1.175 6.033) 6.474 2.001 ( 20.070 11.588 -0.794) 23.189 3.607 ( 3.292 1.901 -2.275) 4.430 3.878 ( 2.094 1.209 -0.452) 2.460 4.190 ( 12.454 7.190 1.148) 14.426 4.394 ( 7.249 4.185 -4.771) 9.635 4.686 ( 5.706 3.295 -5.828) 8.797 5.026 ( -9.123 -5.267 1.741) 10.678 5.620 ( -1.639 -0.946 -2.506) 3.140 6.653 ( -1.450 -0.837 3.128) 3.548 7.761 ( -32.995 -19.050 7.174) 38.769 ======================= Grid point 1467 (339/344) ======================= q-point: ( 0.47 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( -0.000 5.094 3.742) 6.320 1.136 ( -0.000 16.284 3.264) 16.608 1.713 ( -0.000 -6.173 4.909) 7.887 3.499 ( -0.000 0.956 0.112) 0.963 3.617 ( 0.000 11.710 -0.423) 11.717 3.820 ( 0.000 0.450 -0.641) 0.783 3.919 ( 0.000 9.360 -0.411) 9.369 4.597 ( 0.000 0.052 -3.386) 3.386 5.506 ( -0.000 -13.524 0.631) 13.539 5.653 ( -0.000 -1.909 2.643) 3.260 6.365 ( 0.000 16.237 -1.771) 16.333 9.212 ( -0.000 -26.089 0.759) 26.100 ======================= Grid point 1468 (340/344) ======================= q-point: ( 0.53 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( 5.160 8.011 1.612) 9.665 1.405 ( 9.372 17.514 5.228) 20.540 1.621 ( -3.399 -4.948 -1.262) 6.134 3.532 ( 1.715 2.013 -0.182) 2.651 3.777 ( 4.384 7.607 0.086) 8.780 3.865 ( 3.809 6.653 -0.266) 7.671 4.084 ( 7.247 10.505 -0.366) 12.768 4.595 ( 0.674 0.694 -1.784) 2.030 5.312 ( -6.833 -11.038 0.967) 13.018 5.654 ( 0.497 -1.826 0.454) 1.946 6.546 ( 4.546 10.653 -1.048) 11.630 8.752 ( -19.335 -32.225 0.861) 37.590 ======================= Grid point 1469 (341/344) ======================= q-point: ( 0.60 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( 7.061 10.834 -0.069) 12.933 1.500 ( -3.035 -3.003 3.277) 5.382 1.825 ( 16.002 16.818 -0.508) 23.220 3.586 ( 1.888 3.309 -1.067) 3.956 3.852 ( 2.272 1.567 -0.245) 2.771 4.093 ( 9.336 11.170 0.514) 14.567 4.302 ( 7.620 7.416 -2.723) 10.976 4.629 ( 2.622 2.340 -1.884) 3.987 5.099 ( -7.220 -9.055 0.741) 11.604 5.635 ( -1.181 -0.218 -1.430) 1.867 6.675 ( 1.725 3.582 1.965) 4.434 8.044 ( -26.599 -31.155 2.737) 41.057 ======================= Grid point 1483 (342/344) ======================= q-point: ( 0.53 0.53 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( -0.000 9.599 1.411) 9.702 1.540 ( -0.000 20.162 5.214) 20.825 1.585 ( 0.000 -4.012 -6.895) 7.977 3.535 ( -0.000 2.369 1.185) 2.648 3.837 ( -0.000 1.462 0.235) 1.481 3.893 ( 0.000 15.984 -0.203) 15.985 4.150 ( -0.000 12.673 2.839) 12.987 4.596 ( -0.000 1.445 0.336) 1.483 5.254 ( 0.000 -12.278 -0.530) 12.289 5.637 ( -0.000 -1.903 3.111) 3.646 6.602 ( 0.000 9.277 -3.915) 10.069 8.559 ( 0.000 -39.139 -1.796) 39.180 ======================= Grid point 1694 (343/344) ======================= q-point: ( 0.47 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( -0.000 0.000 2.028) 2.028 0.970 ( -0.000 0.000 2.028) 2.028 1.806 ( -0.000 0.000 4.544) 4.544 3.490 ( 0.000 -0.000 -0.269) 0.269 3.490 ( 0.000 -0.000 -0.269) 0.269 3.815 ( 0.000 -0.000 -0.562) 0.562 3.815 ( 0.000 -0.000 -0.562) 0.562 4.586 ( 0.000 -0.000 -2.272) 2.272 5.684 ( -0.000 0.000 0.532) 0.532 5.684 ( -0.000 0.000 0.532) 0.532 6.147 ( -0.000 0.000 0.448) 0.448 9.480 ( -0.000 0.000 0.162) 0.162 ======================= Grid point 1695 (344/344) ======================= q-point: ( 0.53 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( 4.552 2.628 -0.068) 5.256 1.145 ( 14.147 8.168 1.506) 16.405 1.732 ( -6.638 -3.832 1.375) 7.787 3.502 ( 1.121 0.647 -0.561) 1.410 3.613 ( 10.185 5.881 0.320) 11.766 3.820 ( 0.505 0.291 -0.529) 0.787 3.919 ( 8.871 5.122 -0.453) 10.254 4.583 ( 0.257 0.148 -0.795) 0.848 5.502 ( -11.613 -6.705 1.349) 13.477 5.677 ( -0.934 -0.539 -1.843) 2.135 6.350 ( 12.712 7.339 1.038) 14.715 9.213 ( -22.771 -13.147 0.467) 26.298 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/40500 10.0 608.419 608.419 1109.731 0.000 -0.000 -0.000 3/40500 20.0 275.967 275.967 260.781 0.000 -0.000 -0.000 3/40500 30.0 134.269 134.269 104.197 0.000 -0.000 -0.000 3/40500 40.0 65.966 65.966 45.748 0.000 -0.000 -0.000 3/40500 50.0 38.082 38.082 24.021 0.000 -0.000 -0.000 3/40500 60.0 25.347 25.347 14.893 0.000 -0.000 -0.000 3/40500 70.0 18.630 18.630 10.406 0.000 -0.000 -0.000 3/40500 80.0 14.646 14.646 7.892 0.000 -0.000 -0.000 3/40500 90.0 12.062 12.062 6.334 0.000 -0.000 -0.000 3/40500 100.0 10.268 10.268 5.290 0.000 -0.000 -0.000 3/40500 110.0 8.955 8.955 4.549 0.000 -0.000 -0.000 3/40500 120.0 7.953 7.953 3.997 0.000 -0.000 -0.000 3/40500 130.0 7.164 7.164 3.570 0.000 -0.000 -0.000 3/40500 140.0 6.525 6.525 3.231 0.000 -0.000 -0.000 3/40500 150.0 5.997 5.997 2.954 0.000 -0.000 -0.000 3/40500 160.0 5.553 5.553 2.723 0.000 -0.000 -0.000 3/40500 170.0 5.173 5.173 2.529 0.000 -0.000 -0.000 3/40500 180.0 4.845 4.845 2.361 0.000 -0.000 -0.000 3/40500 190.0 4.558 4.558 2.216 0.000 -0.000 -0.000 3/40500 200.0 4.305 4.305 2.088 0.000 -0.000 -0.000 3/40500 210.0 4.079 4.079 1.976 0.000 -0.000 -0.000 3/40500 220.0 3.877 3.877 1.875 0.000 -0.000 -0.000 3/40500 230.0 3.695 3.695 1.785 0.000 -0.000 -0.000 3/40500 240.0 3.530 3.530 1.703 0.000 -0.000 -0.000 3/40500 250.0 3.379 3.379 1.629 0.000 -0.000 -0.000 3/40500 260.0 3.242 3.242 1.561 0.000 -0.000 -0.000 3/40500 270.0 3.115 3.115 1.499 0.000 -0.000 -0.000 3/40500 280.0 2.998 2.998 1.442 0.000 -0.000 -0.000 3/40500 290.0 2.890 2.890 1.389 0.000 -0.000 -0.000 3/40500 300.0 2.790 2.790 1.340 0.000 -0.000 -0.000 3/40500 310.0 2.696 2.696 1.294 0.000 -0.000 -0.000 3/40500 320.0 2.609 2.609 1.252 0.000 -0.000 -0.000 3/40500 330.0 2.528 2.528 1.212 0.000 -0.000 -0.000 3/40500 340.0 2.451 2.451 1.175 0.000 -0.000 -0.000 3/40500 350.0 2.379 2.379 1.140 0.000 -0.000 -0.000 3/40500 360.0 2.311 2.311 1.107 0.000 -0.000 -0.000 3/40500 370.0 2.247 2.247 1.077 0.000 -0.000 -0.000 3/40500 380.0 2.187 2.187 1.047 0.000 -0.000 -0.000 3/40500 390.0 2.129 2.129 1.020 0.000 -0.000 -0.000 3/40500 400.0 2.075 2.075 0.993 0.000 -0.000 -0.000 3/40500 410.0 2.024 2.024 0.969 0.000 -0.000 -0.000 3/40500 420.0 1.975 1.975 0.945 0.000 -0.000 -0.000 3/40500 430.0 1.928 1.928 0.922 0.000 -0.000 -0.000 3/40500 440.0 1.884 1.884 0.901 0.000 -0.000 -0.000 3/40500 450.0 1.841 1.841 0.881 0.000 -0.000 -0.000 3/40500 460.0 1.801 1.801 0.861 0.000 -0.000 -0.000 3/40500 470.0 1.762 1.762 0.842 0.000 -0.000 -0.000 3/40500 480.0 1.725 1.725 0.825 0.000 -0.000 -0.000 3/40500 490.0 1.689 1.689 0.808 0.000 -0.000 -0.000 3/40500 500.0 1.655 1.655 0.791 0.000 -0.000 -0.000 3/40500 510.0 1.622 1.622 0.775 0.000 -0.000 -0.000 3/40500 520.0 1.591 1.591 0.760 0.000 -0.000 -0.000 3/40500 530.0 1.561 1.561 0.746 0.000 -0.000 -0.000 3/40500 540.0 1.531 1.531 0.732 0.000 -0.000 -0.000 3/40500 550.0 1.503 1.503 0.718 0.000 -0.000 -0.000 3/40500 560.0 1.476 1.476 0.705 0.000 -0.000 -0.000 3/40500 570.0 1.450 1.450 0.693 0.000 -0.000 -0.000 3/40500 580.0 1.425 1.425 0.681 0.000 -0.000 -0.000 3/40500 590.0 1.401 1.401 0.669 0.000 -0.000 -0.000 3/40500 600.0 1.377 1.377 0.658 0.000 -0.000 -0.000 3/40500 610.0 1.355 1.355 0.647 0.000 -0.000 -0.000 3/40500 620.0 1.333 1.333 0.637 0.000 -0.000 -0.000 3/40500 630.0 1.312 1.312 0.626 0.000 -0.000 -0.000 3/40500 640.0 1.291 1.291 0.617 0.000 -0.000 -0.000 3/40500 650.0 1.271 1.271 0.607 0.000 -0.000 -0.000 3/40500 660.0 1.252 1.252 0.598 0.000 -0.000 -0.000 3/40500 670.0 1.233 1.233 0.589 0.000 -0.000 -0.000 3/40500 680.0 1.215 1.215 0.580 0.000 -0.000 -0.000 3/40500 690.0 1.197 1.197 0.572 0.000 -0.000 -0.000 3/40500 700.0 1.180 1.180 0.563 0.000 -0.000 -0.000 3/40500 710.0 1.163 1.163 0.555 0.000 -0.000 -0.000 3/40500 720.0 1.147 1.147 0.548 0.000 -0.000 -0.000 3/40500 730.0 1.131 1.131 0.540 0.000 -0.000 -0.000 3/40500 740.0 1.116 1.116 0.533 0.000 -0.000 -0.000 3/40500 750.0 1.101 1.101 0.526 0.000 -0.000 -0.000 3/40500 760.0 1.087 1.087 0.519 0.000 -0.000 -0.000 3/40500 770.0 1.072 1.072 0.512 0.000 -0.000 -0.000 3/40500 780.0 1.059 1.059 0.505 0.000 -0.000 -0.000 3/40500 790.0 1.045 1.045 0.499 0.000 -0.000 -0.000 3/40500 800.0 1.032 1.032 0.493 0.000 -0.000 -0.000 3/40500 810.0 1.019 1.019 0.487 0.000 -0.000 -0.000 3/40500 820.0 1.007 1.007 0.481 0.000 -0.000 -0.000 3/40500 830.0 0.995 0.995 0.475 0.000 -0.000 -0.000 3/40500 840.0 0.983 0.983 0.469 0.000 -0.000 -0.000 3/40500 850.0 0.971 0.971 0.464 0.000 -0.000 -0.000 3/40500 860.0 0.960 0.960 0.458 0.000 -0.000 -0.000 3/40500 870.0 0.949 0.949 0.453 0.000 -0.000 -0.000 3/40500 880.0 0.938 0.938 0.448 0.000 -0.000 -0.000 3/40500 890.0 0.928 0.928 0.443 0.000 -0.000 -0.000 3/40500 900.0 0.917 0.917 0.438 0.000 -0.000 -0.000 3/40500 910.0 0.907 0.907 0.433 0.000 -0.000 -0.000 3/40500 920.0 0.898 0.898 0.428 0.000 -0.000 -0.000 3/40500 930.0 0.888 0.888 0.424 0.000 -0.000 -0.000 3/40500 940.0 0.878 0.878 0.419 0.000 -0.000 -0.000 3/40500 950.0 0.869 0.869 0.415 0.000 -0.000 -0.000 3/40500 960.0 0.860 0.860 0.411 0.000 -0.000 -0.000 3/40500 970.0 0.851 0.851 0.406 0.000 -0.000 -0.000 3/40500 980.0 0.843 0.843 0.402 0.000 -0.000 -0.000 3/40500 990.0 0.834 0.834 0.398 0.000 -0.000 -0.000 3/40500 1000.0 0.826 0.826 0.394 0.000 -0.000 -0.000 3/40500 Thermal conductivity related properties were written into "kappa-m151515.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 01:44:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|