----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 21:45:34]------------------------- 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 1.886748150674076 1.089314552684704 6.248933379999994 b -1.886748150674072 1.089314552684704 6.248933379999994 c 0.000000000000002 -2.178629105369411 6.248933379999994 Atomic positions (fractional): *1 Sr 0.76085628530530 0.76085628530530 0.76085628530530 87.620 2 Sr 0.23914371469470 0.23914371469470 0.23914371469470 87.620 *3 H 0.00000000000000 0.00000000000000 0.00000000000000 1.008 *4 N 0.50000000000000 0.50000000000000 0.50000000000000 14.007 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.773496301348148 0.000000000000000 0.000000000000000 b -1.886748150674074 3.267943658054115 0.000000000000000 c 0.000000000000000 0.000000000000000 18.746800140000001 Atomic positions (fractional): *1 Sr 0.66666666666667 0.33333333333333 0.09418961863863 87.620 > 1 2 Sr 0.00000000000000 0.00000000000000 0.23914371469470 87.620 > 2 3 Sr 0.33333333333333 0.66666666666667 0.42752295197197 87.620 > 1 4 Sr 0.66666666666667 0.33333333333333 0.57247704802803 87.620 > 2 5 Sr 0.00000000000000 0.00000000000000 0.76085628530530 87.620 > 1 6 Sr 0.33333333333333 0.66666666666667 0.90581038136137 87.620 > 2 *7 H 0.00000000000000 0.00000000000000 0.00000000000000 1.008 > 3 8 H 0.66666666666667 0.33333333333333 0.33333333333333 1.008 > 3 9 H 0.33333333333333 0.66666666666667 0.66666666666667 1.008 > 3 *10 N 0.33333333333333 0.66666666666667 0.16666666666667 14.007 > 4 11 N 0.00000000000000 0.00000000000000 0.50000000000000 14.007 > 4 12 N 0.66666666666667 0.33333333333333 0.83333333333333 14.007 > 4 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.320488904044444 0.000000000000000 0.000000000000000 b -5.660244452022222 9.803830974162345 0.000000000000000 c 0.000000000000000 0.000000000000000 18.746800140000001 Atomic positions (fractional): *1 Sr 0.22222222222222 0.11111111111111 0.09418961863863 87.620 > 1 2 Sr 0.55555555555556 0.11111111111111 0.09418961863863 87.620 > 1 3 Sr 0.88888888888889 0.11111111111111 0.09418961863863 87.620 > 1 4 Sr 0.22222222222222 0.44444444444444 0.09418961863863 87.620 > 1 5 Sr 0.55555555555556 0.44444444444444 0.09418961863863 87.620 > 1 6 Sr 0.88888888888889 0.44444444444444 0.09418961863863 87.620 > 1 7 Sr 0.22222222222222 0.77777777777778 0.09418961863863 87.620 > 1 8 Sr 0.55555555555556 0.77777777777778 0.09418961863863 87.620 > 1 9 Sr 0.88888888888889 0.77777777777778 0.09418961863863 87.620 > 1 10 Sr 0.00000000000000 0.00000000000000 0.23914371469470 87.620 > 2 11 Sr 0.33333333333333 0.00000000000000 0.23914371469470 87.620 > 2 12 Sr 0.66666666666667 0.00000000000000 0.23914371469470 87.620 > 2 13 Sr 0.00000000000000 0.33333333333333 0.23914371469470 87.620 > 2 14 Sr 0.33333333333333 0.33333333333333 0.23914371469470 87.620 > 2 15 Sr 0.66666666666667 0.33333333333333 0.23914371469470 87.620 > 2 16 Sr 0.00000000000000 0.66666666666667 0.23914371469470 87.620 > 2 17 Sr 0.33333333333333 0.66666666666667 0.23914371469470 87.620 > 2 18 Sr 0.66666666666667 0.66666666666667 0.23914371469470 87.620 > 2 19 Sr 0.11111111111111 0.22222222222222 0.42752295197197 87.620 > 1 20 Sr 0.44444444444444 0.22222222222222 0.42752295197197 87.620 > 1 21 Sr 0.77777777777778 0.22222222222222 0.42752295197197 87.620 > 1 22 Sr 0.11111111111111 0.55555555555556 0.42752295197197 87.620 > 1 23 Sr 0.44444444444444 0.55555555555556 0.42752295197197 87.620 > 1 24 Sr 0.77777777777778 0.55555555555556 0.42752295197197 87.620 > 1 25 Sr 0.11111111111111 0.88888888888889 0.42752295197197 87.620 > 1 26 Sr 0.44444444444444 0.88888888888889 0.42752295197197 87.620 > 1 27 Sr 0.77777777777778 0.88888888888889 0.42752295197197 87.620 > 1 28 Sr 0.22222222222222 0.11111111111111 0.57247704802803 87.620 > 2 29 Sr 0.55555555555556 0.11111111111111 0.57247704802803 87.620 > 2 30 Sr 0.88888888888889 0.11111111111111 0.57247704802803 87.620 > 2 31 Sr 0.22222222222222 0.44444444444444 0.57247704802803 87.620 > 2 32 Sr 0.55555555555556 0.44444444444444 0.57247704802803 87.620 > 2 33 Sr 0.88888888888889 0.44444444444444 0.57247704802803 87.620 > 2 34 Sr 0.22222222222222 0.77777777777778 0.57247704802803 87.620 > 2 35 Sr 0.55555555555556 0.77777777777778 0.57247704802803 87.620 > 2 36 Sr 0.88888888888889 0.77777777777778 0.57247704802803 87.620 > 2 37 Sr 0.00000000000000 0.00000000000000 0.76085628530530 87.620 > 1 38 Sr 0.33333333333333 0.00000000000000 0.76085628530530 87.620 > 1 39 Sr 0.66666666666667 0.00000000000000 0.76085628530530 87.620 > 1 40 Sr 0.00000000000000 0.33333333333333 0.76085628530530 87.620 > 1 41 Sr 0.33333333333333 0.33333333333333 0.76085628530530 87.620 > 1 42 Sr 0.66666666666667 0.33333333333333 0.76085628530530 87.620 > 1 43 Sr 0.00000000000000 0.66666666666667 0.76085628530530 87.620 > 1 44 Sr 0.33333333333333 0.66666666666667 0.76085628530530 87.620 > 1 45 Sr 0.66666666666667 0.66666666666667 0.76085628530530 87.620 > 1 46 Sr 0.11111111111111 0.22222222222222 0.90581038136137 87.620 > 2 47 Sr 0.44444444444444 0.22222222222222 0.90581038136137 87.620 > 2 48 Sr 0.77777777777778 0.22222222222222 0.90581038136137 87.620 > 2 49 Sr 0.11111111111111 0.55555555555556 0.90581038136137 87.620 > 2 50 Sr 0.44444444444444 0.55555555555556 0.90581038136137 87.620 > 2 51 Sr 0.77777777777778 0.55555555555556 0.90581038136137 87.620 > 2 52 Sr 0.11111111111111 0.88888888888889 0.90581038136137 87.620 > 2 53 Sr 0.44444444444444 0.88888888888889 0.90581038136137 87.620 > 2 54 Sr 0.77777777777778 0.88888888888889 0.90581038136137 87.620 > 2 *55 H 0.00000000000000 0.00000000000000 0.00000000000000 1.008 > 3 56 H 0.33333333333333 0.00000000000000 0.00000000000000 1.008 > 3 57 H 0.66666666666667 0.00000000000000 0.00000000000000 1.008 > 3 58 H 0.00000000000000 0.33333333333333 0.00000000000000 1.008 > 3 59 H 0.33333333333333 0.33333333333333 0.00000000000000 1.008 > 3 60 H 0.66666666666667 0.33333333333333 0.00000000000000 1.008 > 3 61 H 0.00000000000000 0.66666666666667 0.00000000000000 1.008 > 3 62 H 0.33333333333333 0.66666666666667 0.00000000000000 1.008 > 3 63 H 0.66666666666667 0.66666666666667 0.00000000000000 1.008 > 3 64 H 0.22222222222222 0.11111111111111 0.33333333333333 1.008 > 3 65 H 0.55555555555556 0.11111111111111 0.33333333333333 1.008 > 3 66 H 0.88888888888889 0.11111111111111 0.33333333333333 1.008 > 3 67 H 0.22222222222222 0.44444444444444 0.33333333333333 1.008 > 3 68 H 0.55555555555556 0.44444444444444 0.33333333333333 1.008 > 3 69 H 0.88888888888889 0.44444444444444 0.33333333333333 1.008 > 3 70 H 0.22222222222222 0.77777777777778 0.33333333333333 1.008 > 3 71 H 0.55555555555556 0.77777777777778 0.33333333333333 1.008 > 3 72 H 0.88888888888889 0.77777777777778 0.33333333333333 1.008 > 3 73 H 0.11111111111111 0.22222222222222 0.66666666666667 1.008 > 3 74 H 0.44444444444444 0.22222222222222 0.66666666666667 1.008 > 3 75 H 0.77777777777778 0.22222222222222 0.66666666666667 1.008 > 3 76 H 0.11111111111111 0.55555555555556 0.66666666666667 1.008 > 3 77 H 0.44444444444444 0.55555555555556 0.66666666666667 1.008 > 3 78 H 0.77777777777778 0.55555555555556 0.66666666666667 1.008 > 3 79 H 0.11111111111111 0.88888888888889 0.66666666666667 1.008 > 3 80 H 0.44444444444444 0.88888888888889 0.66666666666667 1.008 > 3 81 H 0.77777777777778 0.88888888888889 0.66666666666667 1.008 > 3 *82 N 0.11111111111111 0.22222222222222 0.16666666666667 14.007 > 4 83 N 0.44444444444444 0.22222222222222 0.16666666666667 14.007 > 4 84 N 0.77777777777778 0.22222222222222 0.16666666666667 14.007 > 4 85 N 0.11111111111111 0.55555555555556 0.16666666666667 14.007 > 4 86 N 0.44444444444444 0.55555555555556 0.16666666666667 14.007 > 4 87 N 0.77777777777778 0.55555555555556 0.16666666666667 14.007 > 4 88 N 0.11111111111111 0.88888888888889 0.16666666666667 14.007 > 4 89 N 0.44444444444444 0.88888888888889 0.16666666666667 14.007 > 4 90 N 0.77777777777778 0.88888888888889 0.16666666666667 14.007 > 4 91 N 0.00000000000000 0.00000000000000 0.50000000000000 14.007 > 4 92 N 0.33333333333333 0.00000000000000 0.50000000000000 14.007 > 4 93 N 0.66666666666667 0.00000000000000 0.50000000000000 14.007 > 4 94 N 0.00000000000000 0.33333333333333 0.50000000000000 14.007 > 4 95 N 0.33333333333333 0.33333333333333 0.50000000000000 14.007 > 4 96 N 0.66666666666667 0.33333333333333 0.50000000000000 14.007 > 4 97 N 0.00000000000000 0.66666666666667 0.50000000000000 14.007 > 4 98 N 0.33333333333333 0.66666666666667 0.50000000000000 14.007 > 4 99 N 0.66666666666667 0.66666666666667 0.50000000000000 14.007 > 4 100 N 0.22222222222222 0.11111111111111 0.83333333333333 14.007 > 4 101 N 0.55555555555556 0.11111111111111 0.83333333333333 14.007 > 4 102 N 0.88888888888889 0.11111111111111 0.83333333333333 14.007 > 4 103 N 0.22222222222222 0.44444444444444 0.83333333333333 14.007 > 4 104 N 0.55555555555556 0.44444444444444 0.83333333333333 14.007 > 4 105 N 0.88888888888889 0.44444444444444 0.83333333333333 14.007 > 4 106 N 0.22222222222222 0.77777777777778 0.83333333333333 14.007 > 4 107 N 0.55555555555556 0.77777777777778 0.83333333333333 14.007 > 4 108 N 0.88888888888889 0.77777777777778 0.83333333333333 14.007 > 4 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.9464348 -0.0000000 0.0000000 -0.0000000 5.9464348 0.0000000 0.0000000 0.0000000 5.6398442 -------------------------- Born effective charges -------------------------- 1 Sr 2.3921043 -0.0000000 0.0000000 -0.0000000 2.3921043 0.0000000 0.0000000 0.0000000 1.8787266 2 Sr 2.3921043 -0.0000000 0.0000000 -0.0000000 2.3921043 0.0000000 0.0000000 0.0000000 1.8787266 3 H -1.1484036 0.0000000 0.0000000 0.0000000 -1.1484036 0.0000000 0.0000000 0.0000000 -1.3507417 4 N -3.6358049 0.0000000 0.0000000 -0.0000000 -3.6358049 0.0000000 0.0000000 0.0000000 -2.4067116 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 324/324 Permutation basis: 2568/2568 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 215 Number of blocks in projector: 221 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (54, 51), data: True |-- (64, 64), data: True |-- (97, 94), data: True ----- Solver_atoms: 1 -- 108 / 108 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 80 / 80 - Time: 0.141 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.148 --------------------------------- 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: 221 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (54, 51), data: True |-- (64, 64), data: True |-- (97, 94), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 21:45:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:45:38]------------------------- 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 1.886748150674076 1.089314552684704 6.248933379999994 b -1.886748150674072 1.089314552684704 6.248933379999994 c 0.000000000000002 -2.178629105369411 6.248933379999994 Atomic positions (fractional): 1 Sr 0.76085628530530 0.76085628530530 0.76085628530530 87.620 2 Sr 0.23914371469470 0.23914371469470 0.23914371469470 87.620 3 H 0.00000000000000 0.00000000000000 0.00000000000000 1.008 4 N 0.50000000000000 0.50000000000000 0.50000000000000 14.007 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.320488904044444 0.000000000000000 0.000000000000000 b -5.660244452022222 9.803830974162345 0.000000000000000 c 0.000000000000000 0.000000000000000 18.746800140000001 Atomic positions (fractional): 1 Sr 0.22222222222222 0.11111111111111 0.09418961863863 87.620 > 1 2 Sr 0.55555555555556 0.11111111111111 0.09418961863863 87.620 > 1 3 Sr 0.88888888888889 0.11111111111111 0.09418961863863 87.620 > 1 4 Sr 0.22222222222222 0.44444444444444 0.09418961863863 87.620 > 1 5 Sr 0.55555555555556 0.44444444444444 0.09418961863863 87.620 > 1 6 Sr 0.88888888888889 0.44444444444444 0.09418961863863 87.620 > 1 7 Sr 0.22222222222222 0.77777777777778 0.09418961863863 87.620 > 1 8 Sr 0.55555555555556 0.77777777777778 0.09418961863863 87.620 > 1 9 Sr 0.88888888888889 0.77777777777778 0.09418961863863 87.620 > 1 10 Sr 0.00000000000000 0.00000000000000 0.23914371469470 87.620 > 10 11 Sr 0.33333333333333 0.00000000000000 0.23914371469470 87.620 > 10 12 Sr 0.66666666666667 0.00000000000000 0.23914371469470 87.620 > 10 13 Sr 0.00000000000000 0.33333333333333 0.23914371469470 87.620 > 10 14 Sr 0.33333333333333 0.33333333333333 0.23914371469470 87.620 > 10 15 Sr 0.66666666666667 0.33333333333333 0.23914371469470 87.620 > 10 16 Sr 0.00000000000000 0.66666666666667 0.23914371469470 87.620 > 10 17 Sr 0.33333333333333 0.66666666666667 0.23914371469470 87.620 > 10 18 Sr 0.66666666666667 0.66666666666667 0.23914371469470 87.620 > 10 19 Sr 0.11111111111111 0.22222222222222 0.42752295197197 87.620 > 1 20 Sr 0.44444444444444 0.22222222222222 0.42752295197197 87.620 > 1 21 Sr 0.77777777777778 0.22222222222222 0.42752295197197 87.620 > 1 22 Sr 0.11111111111111 0.55555555555556 0.42752295197197 87.620 > 1 23 Sr 0.44444444444444 0.55555555555556 0.42752295197197 87.620 > 1 24 Sr 0.77777777777778 0.55555555555556 0.42752295197197 87.620 > 1 25 Sr 0.11111111111111 0.88888888888889 0.42752295197197 87.620 > 1 26 Sr 0.44444444444444 0.88888888888889 0.42752295197197 87.620 > 1 27 Sr 0.77777777777778 0.88888888888889 0.42752295197197 87.620 > 1 28 Sr 0.22222222222222 0.11111111111111 0.57247704802803 87.620 > 10 29 Sr 0.55555555555556 0.11111111111111 0.57247704802803 87.620 > 10 30 Sr 0.88888888888889 0.11111111111111 0.57247704802803 87.620 > 10 31 Sr 0.22222222222222 0.44444444444444 0.57247704802803 87.620 > 10 32 Sr 0.55555555555556 0.44444444444444 0.57247704802803 87.620 > 10 33 Sr 0.88888888888889 0.44444444444444 0.57247704802803 87.620 > 10 34 Sr 0.22222222222222 0.77777777777778 0.57247704802803 87.620 > 10 35 Sr 0.55555555555556 0.77777777777778 0.57247704802803 87.620 > 10 36 Sr 0.88888888888889 0.77777777777778 0.57247704802803 87.620 > 10 37 Sr 0.00000000000000 0.00000000000000 0.76085628530530 87.620 > 1 38 Sr 0.33333333333333 0.00000000000000 0.76085628530530 87.620 > 1 39 Sr 0.66666666666667 0.00000000000000 0.76085628530530 87.620 > 1 40 Sr 0.00000000000000 0.33333333333333 0.76085628530530 87.620 > 1 41 Sr 0.33333333333333 0.33333333333333 0.76085628530530 87.620 > 1 42 Sr 0.66666666666667 0.33333333333333 0.76085628530530 87.620 > 1 43 Sr 0.00000000000000 0.66666666666667 0.76085628530530 87.620 > 1 44 Sr 0.33333333333333 0.66666666666667 0.76085628530530 87.620 > 1 45 Sr 0.66666666666667 0.66666666666667 0.76085628530530 87.620 > 1 46 Sr 0.11111111111111 0.22222222222222 0.90581038136137 87.620 > 10 47 Sr 0.44444444444444 0.22222222222222 0.90581038136137 87.620 > 10 48 Sr 0.77777777777778 0.22222222222222 0.90581038136137 87.620 > 10 49 Sr 0.11111111111111 0.55555555555556 0.90581038136137 87.620 > 10 50 Sr 0.44444444444444 0.55555555555556 0.90581038136137 87.620 > 10 51 Sr 0.77777777777778 0.55555555555556 0.90581038136137 87.620 > 10 52 Sr 0.11111111111111 0.88888888888889 0.90581038136137 87.620 > 10 53 Sr 0.44444444444444 0.88888888888889 0.90581038136137 87.620 > 10 54 Sr 0.77777777777778 0.88888888888889 0.90581038136137 87.620 > 10 55 H 0.00000000000000 0.00000000000000 0.00000000000000 1.008 > 55 56 H 0.33333333333333 0.00000000000000 0.00000000000000 1.008 > 55 57 H 0.66666666666667 0.00000000000000 0.00000000000000 1.008 > 55 58 H 0.00000000000000 0.33333333333333 0.00000000000000 1.008 > 55 59 H 0.33333333333333 0.33333333333333 0.00000000000000 1.008 > 55 60 H 0.66666666666667 0.33333333333333 0.00000000000000 1.008 > 55 61 H 0.00000000000000 0.66666666666667 0.00000000000000 1.008 > 55 62 H 0.33333333333333 0.66666666666667 0.00000000000000 1.008 > 55 63 H 0.66666666666667 0.66666666666667 0.00000000000000 1.008 > 55 64 H 0.22222222222222 0.11111111111111 0.33333333333333 1.008 > 55 65 H 0.55555555555556 0.11111111111111 0.33333333333333 1.008 > 55 66 H 0.88888888888889 0.11111111111111 0.33333333333333 1.008 > 55 67 H 0.22222222222222 0.44444444444444 0.33333333333333 1.008 > 55 68 H 0.55555555555556 0.44444444444444 0.33333333333333 1.008 > 55 69 H 0.88888888888889 0.44444444444444 0.33333333333333 1.008 > 55 70 H 0.22222222222222 0.77777777777778 0.33333333333333 1.008 > 55 71 H 0.55555555555556 0.77777777777778 0.33333333333333 1.008 > 55 72 H 0.88888888888889 0.77777777777778 0.33333333333333 1.008 > 55 73 H 0.11111111111111 0.22222222222222 0.66666666666667 1.008 > 55 74 H 0.44444444444444 0.22222222222222 0.66666666666667 1.008 > 55 75 H 0.77777777777778 0.22222222222222 0.66666666666667 1.008 > 55 76 H 0.11111111111111 0.55555555555556 0.66666666666667 1.008 > 55 77 H 0.44444444444444 0.55555555555556 0.66666666666667 1.008 > 55 78 H 0.77777777777778 0.55555555555556 0.66666666666667 1.008 > 55 79 H 0.11111111111111 0.88888888888889 0.66666666666667 1.008 > 55 80 H 0.44444444444444 0.88888888888889 0.66666666666667 1.008 > 55 81 H 0.77777777777778 0.88888888888889 0.66666666666667 1.008 > 55 82 N 0.11111111111111 0.22222222222222 0.16666666666667 14.007 > 82 83 N 0.44444444444444 0.22222222222222 0.16666666666667 14.007 > 82 84 N 0.77777777777778 0.22222222222222 0.16666666666667 14.007 > 82 85 N 0.11111111111111 0.55555555555556 0.16666666666667 14.007 > 82 86 N 0.44444444444444 0.55555555555556 0.16666666666667 14.007 > 82 87 N 0.77777777777778 0.55555555555556 0.16666666666667 14.007 > 82 88 N 0.11111111111111 0.88888888888889 0.16666666666667 14.007 > 82 89 N 0.44444444444444 0.88888888888889 0.16666666666667 14.007 > 82 90 N 0.77777777777778 0.88888888888889 0.16666666666667 14.007 > 82 91 N 0.00000000000000 0.00000000000000 0.50000000000000 14.007 > 82 92 N 0.33333333333333 0.00000000000000 0.50000000000000 14.007 > 82 93 N 0.66666666666667 0.00000000000000 0.50000000000000 14.007 > 82 94 N 0.00000000000000 0.33333333333333 0.50000000000000 14.007 > 82 95 N 0.33333333333333 0.33333333333333 0.50000000000000 14.007 > 82 96 N 0.66666666666667 0.33333333333333 0.50000000000000 14.007 > 82 97 N 0.00000000000000 0.66666666666667 0.50000000000000 14.007 > 82 98 N 0.33333333333333 0.66666666666667 0.50000000000000 14.007 > 82 99 N 0.66666666666667 0.66666666666667 0.50000000000000 14.007 > 82 100 N 0.22222222222222 0.11111111111111 0.83333333333333 14.007 > 82 101 N 0.55555555555556 0.11111111111111 0.83333333333333 14.007 > 82 102 N 0.88888888888889 0.11111111111111 0.83333333333333 14.007 > 82 103 N 0.22222222222222 0.44444444444444 0.83333333333333 14.007 > 82 104 N 0.55555555555556 0.44444444444444 0.83333333333333 14.007 > 82 105 N 0.88888888888889 0.44444444444444 0.83333333333333 14.007 > 82 106 N 0.22222222222222 0.77777777777778 0.83333333333333 14.007 > 82 107 N 0.55555555555556 0.77777777777778 0.83333333333333 14.007 > 82 108 N 0.88888888888889 0.77777777777778 0.83333333333333 14.007 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.9464348 -0.0000000 0.0000000 -0.0000000 5.9464348 0.0000000 0.0000000 0.0000000 5.6398442 -------------------------- Born effective charges -------------------------- 1 Sr 2.3921043 -0.0000000 0.0000000 -0.0000000 2.3921043 0.0000000 0.0000000 0.0000000 1.8787266 2 Sr 2.3921043 -0.0000000 0.0000000 -0.0000000 2.3921043 0.0000000 0.0000000 0.0000000 1.8787266 3 H -1.1484036 0.0000000 0.0000000 0.0000000 -1.1484036 0.0000000 0.0000000 0.0000000 -1.3507417 4 N -3.6358049 0.0000000 0.0000000 -0.0000000 -3.6358049 0.0000000 0.0000000 0.0000000 -2.4067116 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 55, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 82, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (zxz) 0.00000000 (zxz) 0.00000000 (zzx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 21:45:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:45:42]------------------------- 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 1.886748150674076 1.089314552684704 6.248933379999994 b -1.886748150674072 1.089314552684704 6.248933379999994 c 0.000000000000002 -2.178629105369411 6.248933379999994 Atomic positions (fractional): 1 Sr 0.76085628530530 0.76085628530530 0.76085628530530 87.620 2 Sr 0.23914371469470 0.23914371469470 0.23914371469470 87.620 3 H 0.00000000000000 0.00000000000000 0.00000000000000 1.008 4 N 0.50000000000000 0.50000000000000 0.50000000000000 14.007 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.320488904044444 0.000000000000000 0.000000000000000 b -5.660244452022222 9.803830974162345 0.000000000000000 c 0.000000000000000 0.000000000000000 18.746800140000001 Atomic positions (fractional): 1 Sr 0.22222222222222 0.11111111111111 0.09418961863863 87.620 > 1 2 Sr 0.55555555555556 0.11111111111111 0.09418961863863 87.620 > 1 3 Sr 0.88888888888889 0.11111111111111 0.09418961863863 87.620 > 1 4 Sr 0.22222222222222 0.44444444444444 0.09418961863863 87.620 > 1 5 Sr 0.55555555555556 0.44444444444444 0.09418961863863 87.620 > 1 6 Sr 0.88888888888889 0.44444444444444 0.09418961863863 87.620 > 1 7 Sr 0.22222222222222 0.77777777777778 0.09418961863863 87.620 > 1 8 Sr 0.55555555555556 0.77777777777778 0.09418961863863 87.620 > 1 9 Sr 0.88888888888889 0.77777777777778 0.09418961863863 87.620 > 1 10 Sr 0.00000000000000 0.00000000000000 0.23914371469470 87.620 > 10 11 Sr 0.33333333333333 0.00000000000000 0.23914371469470 87.620 > 10 12 Sr 0.66666666666667 0.00000000000000 0.23914371469470 87.620 > 10 13 Sr 0.00000000000000 0.33333333333333 0.23914371469470 87.620 > 10 14 Sr 0.33333333333333 0.33333333333333 0.23914371469470 87.620 > 10 15 Sr 0.66666666666667 0.33333333333333 0.23914371469470 87.620 > 10 16 Sr 0.00000000000000 0.66666666666667 0.23914371469470 87.620 > 10 17 Sr 0.33333333333333 0.66666666666667 0.23914371469470 87.620 > 10 18 Sr 0.66666666666667 0.66666666666667 0.23914371469470 87.620 > 10 19 Sr 0.11111111111111 0.22222222222222 0.42752295197197 87.620 > 1 20 Sr 0.44444444444444 0.22222222222222 0.42752295197197 87.620 > 1 21 Sr 0.77777777777778 0.22222222222222 0.42752295197197 87.620 > 1 22 Sr 0.11111111111111 0.55555555555556 0.42752295197197 87.620 > 1 23 Sr 0.44444444444444 0.55555555555556 0.42752295197197 87.620 > 1 24 Sr 0.77777777777778 0.55555555555556 0.42752295197197 87.620 > 1 25 Sr 0.11111111111111 0.88888888888889 0.42752295197197 87.620 > 1 26 Sr 0.44444444444444 0.88888888888889 0.42752295197197 87.620 > 1 27 Sr 0.77777777777778 0.88888888888889 0.42752295197197 87.620 > 1 28 Sr 0.22222222222222 0.11111111111111 0.57247704802803 87.620 > 10 29 Sr 0.55555555555556 0.11111111111111 0.57247704802803 87.620 > 10 30 Sr 0.88888888888889 0.11111111111111 0.57247704802803 87.620 > 10 31 Sr 0.22222222222222 0.44444444444444 0.57247704802803 87.620 > 10 32 Sr 0.55555555555556 0.44444444444444 0.57247704802803 87.620 > 10 33 Sr 0.88888888888889 0.44444444444444 0.57247704802803 87.620 > 10 34 Sr 0.22222222222222 0.77777777777778 0.57247704802803 87.620 > 10 35 Sr 0.55555555555556 0.77777777777778 0.57247704802803 87.620 > 10 36 Sr 0.88888888888889 0.77777777777778 0.57247704802803 87.620 > 10 37 Sr 0.00000000000000 0.00000000000000 0.76085628530530 87.620 > 1 38 Sr 0.33333333333333 0.00000000000000 0.76085628530530 87.620 > 1 39 Sr 0.66666666666667 0.00000000000000 0.76085628530530 87.620 > 1 40 Sr 0.00000000000000 0.33333333333333 0.76085628530530 87.620 > 1 41 Sr 0.33333333333333 0.33333333333333 0.76085628530530 87.620 > 1 42 Sr 0.66666666666667 0.33333333333333 0.76085628530530 87.620 > 1 43 Sr 0.00000000000000 0.66666666666667 0.76085628530530 87.620 > 1 44 Sr 0.33333333333333 0.66666666666667 0.76085628530530 87.620 > 1 45 Sr 0.66666666666667 0.66666666666667 0.76085628530530 87.620 > 1 46 Sr 0.11111111111111 0.22222222222222 0.90581038136137 87.620 > 10 47 Sr 0.44444444444444 0.22222222222222 0.90581038136137 87.620 > 10 48 Sr 0.77777777777778 0.22222222222222 0.90581038136137 87.620 > 10 49 Sr 0.11111111111111 0.55555555555556 0.90581038136137 87.620 > 10 50 Sr 0.44444444444444 0.55555555555556 0.90581038136137 87.620 > 10 51 Sr 0.77777777777778 0.55555555555556 0.90581038136137 87.620 > 10 52 Sr 0.11111111111111 0.88888888888889 0.90581038136137 87.620 > 10 53 Sr 0.44444444444444 0.88888888888889 0.90581038136137 87.620 > 10 54 Sr 0.77777777777778 0.88888888888889 0.90581038136137 87.620 > 10 55 H 0.00000000000000 0.00000000000000 0.00000000000000 1.008 > 55 56 H 0.33333333333333 0.00000000000000 0.00000000000000 1.008 > 55 57 H 0.66666666666667 0.00000000000000 0.00000000000000 1.008 > 55 58 H 0.00000000000000 0.33333333333333 0.00000000000000 1.008 > 55 59 H 0.33333333333333 0.33333333333333 0.00000000000000 1.008 > 55 60 H 0.66666666666667 0.33333333333333 0.00000000000000 1.008 > 55 61 H 0.00000000000000 0.66666666666667 0.00000000000000 1.008 > 55 62 H 0.33333333333333 0.66666666666667 0.00000000000000 1.008 > 55 63 H 0.66666666666667 0.66666666666667 0.00000000000000 1.008 > 55 64 H 0.22222222222222 0.11111111111111 0.33333333333333 1.008 > 55 65 H 0.55555555555556 0.11111111111111 0.33333333333333 1.008 > 55 66 H 0.88888888888889 0.11111111111111 0.33333333333333 1.008 > 55 67 H 0.22222222222222 0.44444444444444 0.33333333333333 1.008 > 55 68 H 0.55555555555556 0.44444444444444 0.33333333333333 1.008 > 55 69 H 0.88888888888889 0.44444444444444 0.33333333333333 1.008 > 55 70 H 0.22222222222222 0.77777777777778 0.33333333333333 1.008 > 55 71 H 0.55555555555556 0.77777777777778 0.33333333333333 1.008 > 55 72 H 0.88888888888889 0.77777777777778 0.33333333333333 1.008 > 55 73 H 0.11111111111111 0.22222222222222 0.66666666666667 1.008 > 55 74 H 0.44444444444444 0.22222222222222 0.66666666666667 1.008 > 55 75 H 0.77777777777778 0.22222222222222 0.66666666666667 1.008 > 55 76 H 0.11111111111111 0.55555555555556 0.66666666666667 1.008 > 55 77 H 0.44444444444444 0.55555555555556 0.66666666666667 1.008 > 55 78 H 0.77777777777778 0.55555555555556 0.66666666666667 1.008 > 55 79 H 0.11111111111111 0.88888888888889 0.66666666666667 1.008 > 55 80 H 0.44444444444444 0.88888888888889 0.66666666666667 1.008 > 55 81 H 0.77777777777778 0.88888888888889 0.66666666666667 1.008 > 55 82 N 0.11111111111111 0.22222222222222 0.16666666666667 14.007 > 82 83 N 0.44444444444444 0.22222222222222 0.16666666666667 14.007 > 82 84 N 0.77777777777778 0.22222222222222 0.16666666666667 14.007 > 82 85 N 0.11111111111111 0.55555555555556 0.16666666666667 14.007 > 82 86 N 0.44444444444444 0.55555555555556 0.16666666666667 14.007 > 82 87 N 0.77777777777778 0.55555555555556 0.16666666666667 14.007 > 82 88 N 0.11111111111111 0.88888888888889 0.16666666666667 14.007 > 82 89 N 0.44444444444444 0.88888888888889 0.16666666666667 14.007 > 82 90 N 0.77777777777778 0.88888888888889 0.16666666666667 14.007 > 82 91 N 0.00000000000000 0.00000000000000 0.50000000000000 14.007 > 82 92 N 0.33333333333333 0.00000000000000 0.50000000000000 14.007 > 82 93 N 0.66666666666667 0.00000000000000 0.50000000000000 14.007 > 82 94 N 0.00000000000000 0.33333333333333 0.50000000000000 14.007 > 82 95 N 0.33333333333333 0.33333333333333 0.50000000000000 14.007 > 82 96 N 0.66666666666667 0.33333333333333 0.50000000000000 14.007 > 82 97 N 0.00000000000000 0.66666666666667 0.50000000000000 14.007 > 82 98 N 0.33333333333333 0.66666666666667 0.50000000000000 14.007 > 82 99 N 0.66666666666667 0.66666666666667 0.50000000000000 14.007 > 82 100 N 0.22222222222222 0.11111111111111 0.83333333333333 14.007 > 82 101 N 0.55555555555556 0.11111111111111 0.83333333333333 14.007 > 82 102 N 0.88888888888889 0.11111111111111 0.83333333333333 14.007 > 82 103 N 0.22222222222222 0.44444444444444 0.83333333333333 14.007 > 82 104 N 0.55555555555556 0.44444444444444 0.83333333333333 14.007 > 82 105 N 0.88888888888889 0.44444444444444 0.83333333333333 14.007 > 82 106 N 0.22222222222222 0.77777777777778 0.83333333333333 14.007 > 82 107 N 0.55555555555556 0.77777777777778 0.83333333333333 14.007 > 82 108 N 0.88888888888889 0.77777777777778 0.83333333333333 14.007 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.9464348 -0.0000000 0.0000000 -0.0000000 5.9464348 0.0000000 0.0000000 0.0000000 5.6398442 -------------------------- Born effective charges -------------------------- 1 Sr 2.3921043 -0.0000000 0.0000000 -0.0000000 2.3921043 0.0000000 0.0000000 0.0000000 1.8787266 2 Sr 2.3921043 -0.0000000 0.0000000 -0.0000000 2.3921043 0.0000000 0.0000000 0.0000000 1.8787266 3 H -1.1484036 0.0000000 0.0000000 0.0000000 -1.1484036 0.0000000 0.0000000 0.0000000 -1.3507417 4 N -3.6358049 0.0000000 0.0000000 -0.0000000 -3.6358049 0.0000000 0.0000000 0.0000000 -2.4067116 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zxz) 0.00000000 (zxz) 0.00000000 (zzx) 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 ... [ 16 16 16 ] 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: 0.98, Number of G-points: 325, Lambda: 0.25 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/417) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 417 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 3.225 ( 0.000 0.000 0.000) 0.000 3.225 ( 0.000 0.000 0.000) 0.000 6.021 ( 0.000 0.000 0.000) 0.000 7.410 ( 0.000 0.000 0.000) 0.000 7.410 ( 0.000 0.000 0.000) 0.000 10.517 ( 0.000 0.000 0.000) 0.000 14.977 ( 0.000 0.000 0.000) 0.000 14.977 ( 0.000 0.000 0.000) 0.000 20.930 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/417) ======================= q-point: ( 0.06 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.435 ( 19.306 11.146 5.936) 23.070 0.552 ( 24.491 14.140 1.878) 28.343 0.975 ( 42.857 24.744 4.696) 49.709 3.231 ( 0.691 0.399 -0.889) 1.194 3.327 ( 8.661 5.000 1.317) 10.087 5.977 ( -3.747 -2.164 -1.035) 4.449 7.438 ( 2.570 1.484 -0.576) 3.023 10.386 ( 11.156 6.441 -64.992) 66.256 11.598 ( -8.711 -5.029 42.820) 43.986 14.982 ( 0.507 0.293 0.107) 0.595 19.144 ( 25.169 14.531 -145.047) 147.930 21.168 ( -26.060 -15.046 141.364) 144.532 ======================= Grid point 2 (3/417) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( 21.009 12.129 3.969) 24.581 1.089 ( 23.472 13.552 2.056) 27.181 1.911 ( 40.495 23.380 2.786) 46.843 3.249 ( 1.312 0.757 -1.617) 2.216 3.591 ( 13.915 8.034 2.848) 16.318 5.854 ( -6.834 -3.946 -1.858) 8.107 7.518 ( 4.876 2.815 -1.365) 5.794 10.383 ( -1.259 -0.727 -11.444) 11.536 11.554 ( 0.164 0.095 -6.105) 6.108 15.007 ( 1.907 1.101 0.250) 2.216 19.239 ( 14.294 8.253 -61.191) 63.378 21.023 ( -17.864 -10.314 64.295) 67.523 ======================= Grid point 3 (4/417) ======================= q-point: ( 0.19 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( 22.342 12.899 2.306) 25.901 1.596 ( 21.578 12.458 2.310) 25.023 2.769 ( 36.344 20.983 0.263) 41.968 3.277 ( 1.711 0.988 -2.103) 2.885 3.933 ( 15.482 8.938 4.302) 18.387 5.672 ( -8.762 -5.059 -2.309) 10.378 7.640 ( 6.704 3.870 -2.278) 8.069 10.197 ( -14.834 -8.565 2.730) 17.345 11.610 ( 9.157 5.287 -18.834) 21.599 15.076 ( 4.350 2.511 0.387) 5.038 19.349 ( 9.432 5.446 -32.668) 34.435 20.819 ( -15.235 -8.796 34.783) 38.978 ======================= Grid point 4 (5/417) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( 23.076 13.323 1.402) 26.683 2.051 ( 18.756 10.829 2.551) 21.807 3.308 ( 1.698 0.980 -2.345) 3.057 3.498 ( 29.407 16.978 -2.268) 34.032 4.286 ( 14.797 8.543 5.101) 17.831 5.465 ( -8.853 -5.111 -2.182) 10.452 7.794 ( 7.838 4.525 -2.936) 9.515 9.764 ( -23.724 -13.697 -0.695) 27.403 11.821 ( 13.947 8.052 -11.655) 19.880 15.204 ( 6.985 4.033 0.425) 8.077 19.422 ( 4.894 2.826 -20.484) 21.249 20.591 ( -13.077 -7.550 16.765) 22.563 ======================= Grid point 5 (6/417) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.412 ( 23.164 13.374 1.109) 26.771 2.435 ( 15.174 8.760 2.651) 17.720 3.333 ( 1.158 0.668 -2.384) 2.733 4.015 ( 17.242 9.954 -3.957) 20.298 4.613 ( 13.172 7.605 4.227) 15.787 5.295 ( -5.180 -2.991 -1.078) 6.078 7.960 ( 7.950 4.590 -2.985) 9.653 9.193 ( -26.055 -15.043 -4.565) 30.431 12.121 ( 14.669 8.469 -1.698) 17.023 15.378 ( 8.429 4.867 0.326) 9.739 19.422 ( 0.415 0.240 -15.082) 15.089 20.363 ( -10.553 -6.093 4.542) 13.004 ======================= Grid point 6 (7/417) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.735 ( 11.104 6.411 2.489) 13.061 2.919 ( 22.223 12.830 1.181) 25.688 3.340 ( 0.173 0.100 -2.226) 2.235 4.201 ( 1.058 0.611 -4.224) 4.397 4.871 ( 8.621 4.977 1.990) 10.151 5.272 ( 3.452 1.993 0.424) 4.008 8.115 ( 6.647 3.838 -2.364) 8.031 8.630 ( -22.462 -12.968 -4.989) 26.412 12.433 ( 12.606 7.278 4.396) 15.206 15.561 ( 7.644 4.413 0.164) 8.828 19.347 ( -2.750 -1.588 -11.608) 12.035 20.167 ( -7.314 -4.223 -1.972) 8.672 ======================= Grid point 7 (8/417) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.938 ( 6.433 3.714 1.821) 7.648 3.326 ( -0.706 -0.407 -1.660) 1.849 3.390 ( 19.676 11.360 1.559) 22.773 4.080 ( -9.564 -5.522 -3.485) 11.581 5.007 ( 3.647 2.106 1.047) 4.339 5.390 ( 5.248 3.030 0.236) 6.064 8.212 ( -13.254 -7.652 -3.016) 15.599 8.227 ( 3.827 2.210 -1.283) 4.602 12.678 ( 7.542 4.355 4.570) 9.835 15.700 ( 4.541 2.622 0.047) 5.244 19.247 ( -2.846 -1.643 -6.913) 7.654 20.036 ( -3.670 -2.119 -2.762) 5.058 ======================= Grid point 8 (9/417) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 554 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.016 ( 0.000 0.000 0.000) 0.000 3.312 ( -0.000 -0.000 -0.000) 0.000 3.764 ( 0.000 0.000 -0.000) 0.000 3.812 ( -0.000 -0.000 0.000) 0.000 5.048 ( 0.000 0.000 -0.000) 0.000 5.454 ( 0.000 0.000 0.000) 0.000 8.056 ( 0.000 0.000 0.000) 0.000 8.268 ( 0.000 0.000 0.000) 0.000 12.773 ( 0.000 0.000 -0.000) 0.000 15.752 ( 0.000 0.000 0.000) 0.000 19.201 ( 0.000 0.000 0.000) 0.000 19.990 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 18 (10/417) ======================= q-point: ( 0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.463 ( -0.000 20.591 10.792) 23.248 0.585 ( -0.000 27.156 8.063) 28.327 0.988 ( -0.000 48.623 7.289) 49.167 3.237 ( -0.000 1.130 0.227) 1.152 3.314 ( 0.000 9.378 -1.251) 9.461 5.972 ( 0.000 -4.301 -2.049) 4.764 7.460 ( -0.000 3.747 3.832) 5.359 10.046 ( 0.000 33.655 -97.038) 102.708 11.855 ( -0.000 -22.760 61.947) 65.995 14.975 ( 0.000 0.350 -1.300) 1.346 18.575 ( 0.000 62.307 -167.174) 178.408 21.697 ( -0.000 -60.210 156.941) 168.095 ======================= Grid point 19 (11/417) ======================= q-point: ( 0.12 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( 11.165 19.093 7.381) 23.317 0.984 ( 12.943 24.445 5.216) 28.148 1.679 ( 23.281 40.229 5.553) 46.811 3.264 ( 0.330 2.940 -0.978) 3.116 3.483 ( 8.701 10.794 0.852) 13.891 5.884 ( -3.499 -6.023 -2.827) 7.518 7.514 ( 0.374 5.536 2.688) 6.165 10.193 ( 13.546 8.771 -41.570) 44.593 11.687 ( -13.818 -5.192 16.720) 22.304 14.995 ( 1.722 1.538 -1.004) 2.518 18.823 ( 19.704 26.993 -86.942) 93.144 21.442 ( -19.261 -30.175 87.085) 94.156 ======================= Grid point 20 (12/417) ======================= q-point: ( 0.19 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( 16.287 17.651 3.761) 24.310 1.464 ( 15.774 21.789 3.624) 27.142 2.473 ( 28.317 31.628 2.423) 42.522 3.295 ( -0.368 4.848 -1.898) 5.219 3.785 ( 13.895 10.090 3.349) 17.495 5.729 ( -6.169 -7.032 -3.201) 9.887 7.603 ( 2.846 6.333 0.659) 6.974 10.265 ( 0.272 -5.086 -7.833) 9.344 11.517 ( -3.472 3.048 -13.323) 14.101 15.059 ( 2.966 4.634 -0.536) 5.528 19.082 ( 15.362 12.620 -47.146) 51.166 21.126 ( -18.332 -18.323 49.627) 55.988 ======================= Grid point 21 (13/417) ======================= q-point: ( 0.25 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( 19.366 16.450 1.419) 25.449 1.930 ( 14.939 19.454 3.015) 24.712 3.208 ( 27.122 23.904 -1.187) 36.172 3.332 ( -0.653 6.190 -2.126) 6.578 4.133 ( 15.043 8.617 5.085) 18.067 5.535 ( -7.475 -7.023 -2.974) 10.679 7.732 ( 5.044 6.988 -0.974) 8.673 10.009 ( -18.654 -11.869 -0.077) 22.110 11.588 ( 12.635 5.030 -17.185) 21.915 15.182 ( 4.367 8.740 -0.269) 9.774 19.254 ( 9.835 5.902 -28.914) 31.106 20.815 ( -16.331 -13.237 26.990) 34.211 ======================= Grid point 22 (14/417) ======================= q-point: ( 0.31 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( 21.232 15.151 0.204) 26.084 2.341 ( 12.418 16.840 2.673) 21.094 3.367 ( -1.331 6.632 -2.599) 7.246 3.799 ( 20.821 15.951 -4.086) 26.545 4.468 ( 14.151 6.656 5.683) 16.639 5.348 ( -6.277 -5.352 -1.749) 8.432 7.892 ( 6.158 7.587 -1.954) 9.965 9.493 ( -26.666 -12.521 -3.944) 29.722 11.860 ( 19.251 2.478 -7.304) 20.739 15.365 ( 5.036 12.902 -0.114) 13.851 19.325 ( 4.600 1.197 -20.487) 21.031 20.517 ( -13.778 -9.894 11.415) 20.446 ======================= Grid point 23 (15/417) ======================= q-point: ( 0.38 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.667 ( 15.732 13.081 2.375) 20.597 2.680 ( 15.223 14.047 -0.427) 20.719 3.394 ( -2.418 7.195 -2.443) 7.975 4.133 ( 8.075 5.807 -6.325) 11.787 4.757 ( 11.703 4.459 4.481) 13.301 5.250 ( -0.287 -1.328 0.662) 1.511 8.056 ( 5.612 6.837 -2.170) 9.108 8.920 ( -26.500 -8.963 -5.554) 28.521 12.186 ( 19.930 -1.408 0.576) 19.988 15.581 ( 3.685 16.298 0.037) 16.710 19.298 ( 0.617 -2.516 -15.571) 15.785 20.258 ( -10.112 -6.799 1.580) 12.287 ======================= Grid point 24 (16/417) ======================= q-point: ( 0.44 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.915 ( 5.170 10.255 1.856) 11.633 3.137 ( 19.739 9.230 -0.802) 21.805 3.416 ( -2.333 9.330 -1.875) 9.798 4.145 ( -4.758 -2.169 -6.223) 8.128 4.950 ( 6.392 2.068 2.527) 7.178 5.315 ( 6.043 0.875 2.214) 6.495 8.155 ( 1.451 -1.458 -1.975) 2.852 8.477 ( -18.577 3.905 -4.020) 19.403 12.467 ( 16.835 -6.204 2.601) 18.130 15.779 ( -0.332 18.117 0.152) 18.120 19.215 ( -0.440 -4.576 -10.391) 11.362 20.075 ( -5.531 -3.728 -2.147) 7.006 ======================= Grid point 25 (17/417) ======================= q-point: ( 0.50 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.045 ( 0.214 6.233 0.287) 6.243 3.346 ( -0.046 3.716 -0.314) 3.729 3.626 ( 14.075 11.610 -0.855) 18.265 3.943 ( -12.155 -4.841 -4.529) 13.845 5.033 ( 1.971 0.015 0.947) 2.187 5.415 ( 4.118 -1.641 2.485) 5.082 8.052 ( -2.572 -5.894 -1.076) 6.521 8.390 ( -7.091 14.029 -1.239) 15.769 12.617 ( 10.681 -11.481 -1.036) 15.715 15.898 ( -6.265 17.428 0.041) 18.520 19.158 ( 2.114 -4.093 -3.309) 5.672 19.992 ( -1.100 -1.091 -0.894) 1.788 ======================= Grid point 26 (18/417) ======================= q-point: (-0.44 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.034 ( -6.134 2.591 -1.708) 6.874 3.355 ( -2.758 1.888 1.203) 3.552 3.615 ( -16.355 -4.900 -3.023) 17.339 3.967 ( 11.890 8.370 0.045) 14.541 5.027 ( -1.594 -2.236 -0.282) 2.760 5.415 ( -1.464 -4.748 2.451) 5.540 8.065 ( 7.427 -0.339 1.396) 7.565 8.399 ( -7.648 13.879 0.588) 15.858 12.590 ( 3.531 -15.780 -6.468) 17.416 15.897 ( -11.970 13.994 -0.190) 18.416 19.196 ( 5.560 -1.926 4.083) 7.162 20.008 ( 2.602 0.997 2.223) 3.565 ======================= Grid point 27 (19/417) ======================= q-point: (-0.38 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.892 ( -11.654 0.427 -2.575) 11.943 3.133 ( -18.049 -11.750 -1.749) 21.607 3.434 ( -6.269 7.233 1.764) 9.733 4.181 ( 5.703 3.440 0.567) 6.684 4.933 ( -5.474 -5.303 -0.531) 7.640 5.312 ( -4.612 -4.999 1.592) 6.985 8.174 ( 0.507 -2.029 1.602) 2.634 8.518 ( 7.413 18.740 4.057) 20.558 12.410 ( -2.003 -17.676 -8.614) 19.765 15.777 ( -15.427 9.249 -0.236) 17.989 19.313 ( 6.370 -0.284 8.755) 10.831 20.104 ( 5.509 2.573 3.747) 7.142 ======================= Grid point 28 (20/417) ======================= q-point: (-0.31 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.638 ( -17.448 -4.602 -2.965) 18.287 2.678 ( -21.531 -7.966 -1.330) 22.996 3.418 ( -5.033 5.940 2.399) 8.147 4.174 ( -8.266 -3.773 1.232) 9.169 4.724 ( -10.970 -9.077 -1.457) 14.313 5.253 ( 1.649 -0.158 1.030) 1.950 8.078 ( -8.219 -1.877 2.064) 8.679 8.974 ( 20.807 18.663 5.182) 28.427 12.157 ( -4.990 -16.920 -5.211) 18.394 15.580 ( -15.955 5.097 -0.195) 16.750 19.432 ( 3.905 -0.344 10.535) 11.240 20.254 ( 7.698 3.618 1.254) 8.598 ======================= Grid point 29 (21/417) ======================= q-point: (-0.25 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.168 ( -23.759 -10.419 -1.561) 25.990 2.317 ( -21.035 -2.186 -2.097) 21.252 3.392 ( -5.164 4.612 2.322) 7.303 3.831 ( -24.650 -10.375 2.025) 26.821 4.419 ( -13.383 -9.294 -3.779) 16.726 5.364 ( 8.375 2.926 1.467) 8.992 7.914 ( -9.406 -2.403 2.465) 10.016 9.527 ( 22.468 16.338 2.850) 27.925 11.909 ( -5.989 -13.884 2.398) 15.309 15.364 ( -13.792 2.414 -0.245) 14.004 19.494 ( 0.032 -1.480 11.846) 11.938 20.426 ( 9.168 4.068 -5.476) 11.428 ======================= Grid point 30 (22/417) ======================= q-point: (-0.19 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( -24.533 -8.351 -1.310) 25.948 1.906 ( -24.555 -3.155 -1.576) 24.807 3.218 ( -35.597 -12.154 0.994) 37.628 3.353 ( -4.911 3.449 2.019) 6.332 4.088 ( -14.828 -8.223 -3.766) 17.368 5.558 ( 10.195 3.009 1.401) 10.722 7.749 ( -8.646 -2.204 2.221) 9.194 10.002 ( 17.916 10.638 -1.553) 20.895 11.725 ( -5.392 -8.604 9.828) 14.131 15.182 ( -9.828 1.004 -0.328) 9.884 19.491 ( -3.102 -2.431 15.000) 15.509 20.591 ( 9.892 3.853 -14.336) 17.839 ======================= Grid point 31 (23/417) ======================= q-point: (-0.12 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( -24.771 -5.275 -1.179) 25.353 1.441 ( -27.216 -3.032 -0.805) 27.397 2.459 ( -42.915 -9.370 -0.299) 43.927 3.312 ( -4.055 2.210 1.271) 4.790 3.756 ( -15.382 -5.737 -2.252) 16.571 5.750 ( 9.388 1.828 0.859) 9.603 7.607 ( -7.145 -1.185 1.346) 7.366 10.296 ( 10.531 3.319 -1.896) 11.203 11.631 ( -3.902 -2.363 8.920) 10.018 15.060 ( -5.478 0.276 -0.277) 5.492 19.463 ( -3.922 -2.095 19.004) 19.517 20.724 ( 9.219 2.622 -20.598) 22.719 ======================= Grid point 32 (24/417) ======================= q-point: (-0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( -24.208 -0.000 0.000) 24.208 0.957 ( -28.659 -0.000 0.000) 28.659 1.650 ( -47.840 -0.000 0.000) 47.840 3.269 ( -2.713 -0.000 0.000) 2.713 3.478 ( -13.486 -0.000 0.000) 13.486 5.899 ( 7.066 0.000 -0.000) 7.066 7.501 ( -5.207 -0.000 0.000) 5.207 10.434 ( 5.509 0.000 -0.000) 5.509 11.579 ( -3.609 -0.000 0.000) 3.609 15.000 ( -2.124 -0.000 0.000) 2.124 19.449 ( -2.037 -0.000 0.000) 2.037 20.816 ( 6.251 0.000 -0.000) 6.251 ======================= Grid point 35 (25/417) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( -0.000 21.863 7.442) 23.095 1.136 ( -0.000 25.286 6.212) 26.038 1.944 ( -0.000 46.362 5.499) 46.687 3.269 ( -0.000 2.015 0.298) 2.037 3.548 ( 0.000 15.392 -1.044) 15.427 5.836 ( 0.000 -7.684 -3.554) 8.466 7.594 ( -0.000 6.430 5.849) 8.692 10.028 ( 0.000 10.467 -36.125) 37.611 11.817 ( -0.000 -6.948 11.879) 13.761 14.983 ( 0.000 1.993 -2.057) 2.864 18.683 ( 0.000 32.179 -71.932) 78.802 21.542 ( -0.000 -35.577 71.726) 80.064 ======================= Grid point 36 (26/417) ======================= q-point: ( 0.19 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( 7.301 21.351 4.586) 23.026 1.482 ( 10.155 23.548 4.595) 26.052 2.494 ( 12.208 40.574 3.130) 42.486 3.319 ( 2.378 3.259 -0.547) 4.071 3.744 ( 5.658 15.464 1.274) 16.516 5.719 ( -3.045 -8.583 -3.856) 9.889 7.668 ( -0.721 7.565 4.475) 8.819 10.086 ( 8.646 -0.953 -16.754) 18.877 11.668 ( -12.088 -0.199 -5.240) 13.176 15.040 ( 3.929 4.422 -1.703) 6.156 18.852 ( 10.607 21.243 -47.980) 53.533 21.331 ( -11.293 -27.201 48.910) 57.093 ======================= Grid point 37 (27/417) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( 12.522 19.802 1.548) 23.480 1.913 ( 13.160 21.811 3.368) 25.695 3.093 ( 17.136 30.898 -0.828) 35.342 3.393 ( 1.421 6.280 -1.387) 6.586 4.026 ( 10.344 12.746 4.476) 17.014 5.555 ( -5.098 -8.398 -3.549) 10.446 7.759 ( 1.285 8.558 2.232) 8.937 10.070 ( -2.048 -11.798 -3.080) 12.365 11.498 ( -3.793 5.116 -15.702) 16.944 15.184 ( 6.156 9.134 -1.334) 11.096 19.057 ( 10.233 11.530 -31.997) 35.517 21.018 ( -14.516 -19.869 29.860) 38.693 ======================= Grid point 38 (28/417) ======================= q-point: ( 0.31 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( 16.304 17.846 -0.547) 24.179 2.335 ( 11.862 19.920 2.738) 23.346 3.444 ( 0.786 8.188 -4.183) 9.228 3.649 ( 16.400 21.161 -2.539) 26.893 4.338 ( 11.718 9.245 6.499) 16.279 5.381 ( -5.436 -6.692 -2.342) 8.934 7.891 ( 3.585 9.374 0.556) 10.051 9.752 ( -18.626 -13.437 -3.203) 23.189 11.571 ( 12.087 2.603 -10.067) 15.944 15.406 ( 7.110 14.960 -1.190) 16.607 19.179 ( 6.298 4.357 -23.650) 24.859 20.685 ( -14.441 -14.583 14.965) 25.400 ======================= Grid point 39 (29/417) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.467 ( 18.677 15.519 -1.760) 24.347 2.693 ( 8.624 17.356 2.302) 19.517 3.502 ( -1.400 8.798 -3.845) 9.703 4.033 ( 10.970 11.826 -6.443) 17.370 4.622 ( 11.249 5.384 6.951) 14.278 5.256 ( -2.685 -3.228 -0.057) 4.199 8.044 ( 3.967 8.101 -0.477) 9.033 9.261 ( -24.461 -7.049 -5.690) 26.084 11.818 ( 19.095 -3.888 -0.978) 19.511 15.688 ( 6.333 20.795 -0.891) 21.757 19.191 ( 2.279 -1.519 -19.018) 19.214 20.374 ( -12.127 -10.142 4.337) 16.393 ======================= Grid point 40 (30/417) ======================= q-point: ( 0.44 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.910 ( 18.915 12.350 -2.803) 22.763 2.962 ( 4.758 14.025 2.241) 14.979 3.545 ( -2.149 9.294 -3.697) 10.231 4.170 ( -0.430 4.086 -7.396) 8.461 4.852 ( 9.179 2.355 5.542) 10.978 5.244 ( 2.839 -0.883 2.209) 3.704 8.125 ( 0.130 -1.054 -1.363) 1.727 8.857 ( -20.409 8.643 -4.715) 22.660 12.080 ( 19.426 -10.660 2.981) 22.359 15.987 ( 2.473 25.592 -0.452) 25.715 19.115 ( 0.622 -6.250 -14.404) 15.714 20.134 ( -7.786 -5.919 -1.218) 9.856 ======================= Grid point 41 (31/417) ======================= q-point: ( 0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.122 ( 0.478 10.136 -0.439) 10.157 3.283 ( 13.110 7.186 -0.328) 14.954 3.606 ( 1.435 9.616 -4.006) 10.516 4.087 ( -9.222 2.487 -5.454) 10.999 4.992 ( 4.115 0.457 2.812) 5.005 5.315 ( 5.673 -3.233 3.700) 7.505 8.022 ( -3.101 -8.547 -1.542) 9.222 8.740 ( -13.134 22.783 -1.869) 26.364 12.249 ( 15.579 -17.070 0.638) 23.119 16.225 ( -5.181 27.522 -0.578) 28.012 19.032 ( 3.400 -8.377 -7.514) 11.756 20.003 ( -2.733 -2.331 -1.747) 3.994 ======================= Grid point 42 (32/417) ======================= q-point: (-0.44 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.163 ( -4.513 6.387 -2.091) 8.095 3.424 ( -1.093 2.343 1.618) 3.049 3.729 ( 1.924 0.709 -4.635) 5.069 3.966 ( -5.283 11.579 -2.759) 13.023 5.020 ( -0.236 -1.985 0.502) 2.061 5.360 ( 3.030 -6.314 4.519) 8.335 7.952 ( 3.859 -4.578 0.227) 5.992 8.758 ( -12.915 24.489 0.225) 27.687 12.265 ( 9.982 -21.997 -5.231) 24.716 16.312 ( -14.406 24.555 -1.408) 28.504 19.046 ( 8.649 -6.701 0.769) 10.968 19.983 ( 1.595 0.173 0.698) 1.749 ======================= Grid point 43 (33/417) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.084 ( -9.633 3.439 -3.045) 10.672 3.295 ( -12.882 -6.054 -0.362) 14.239 3.651 ( -8.259 7.056 0.823) 10.893 4.118 ( 6.273 8.991 -3.280) 11.443 4.953 ( -3.560 -5.628 0.005) 6.660 5.320 ( -1.573 -6.680 3.888) 7.888 8.055 ( 9.796 -1.474 1.589) 10.032 8.786 ( -10.885 24.175 2.534) 26.633 12.141 ( 5.409 -23.856 -9.603) 26.279 16.214 ( -20.720 17.867 -1.575) 27.405 19.181 ( 10.933 -3.277 6.381) 13.076 20.053 ( 4.620 1.623 3.101) 5.796 ======================= Grid point 44 (34/417) ======================= q-point: (-0.31 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.870 ( -16.408 -4.301 -3.176) 17.257 2.966 ( -18.605 -1.209 -0.739) 18.659 3.609 ( -7.509 8.516 2.628) 11.654 4.229 ( -0.223 3.221 -3.071) 4.456 4.788 ( -7.772 -9.912 0.929) 12.630 5.244 ( -1.490 -3.011 1.985) 3.902 8.152 ( 0.380 -1.365 1.231) 1.877 8.958 ( 4.736 22.581 4.869) 23.581 11.954 ( 2.993 -21.832 -9.092) 23.838 15.982 ( -22.577 10.970 -0.872) 25.116 19.353 ( 8.704 -1.187 7.651) 11.649 20.175 ( 6.354 2.185 3.160) 7.425 ======================= Grid point 45 (35/417) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.465 ( -22.455 -6.913 -1.554) 23.547 2.660 ( -20.350 1.756 -1.375) 20.472 3.566 ( -7.627 6.658 2.371) 10.399 4.104 ( -15.255 -2.514 -1.049) 15.497 4.526 ( -11.393 -9.857 -0.626) 15.078 5.269 ( 5.241 0.698 1.046) 5.389 8.061 ( -8.685 -1.036 1.155) 8.823 9.364 ( 17.065 16.751 4.022) 24.249 11.787 ( 1.926 -16.176 -4.153) 16.811 15.695 ( -20.855 5.665 -0.249) 21.613 19.477 ( 4.350 -0.805 6.506) 7.868 20.316 ( 7.153 2.073 0.477) 7.462 ======================= Grid point 46 (36/417) ======================= q-point: (-0.19 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.018 ( -24.390 -4.006 -0.700) 24.727 2.299 ( -23.920 0.428 -0.850) 23.939 3.499 ( -7.169 3.673 1.424) 8.180 3.687 ( -29.416 -4.453 0.457) 29.755 4.245 ( -13.156 -5.389 -1.816) 14.333 5.412 ( 9.716 1.168 0.629) 9.807 7.895 ( -9.984 -0.869 0.928) 10.064 9.797 ( 18.179 8.386 0.918) 20.042 11.691 ( 1.082 -7.832 1.126) 7.986 15.417 ( -16.576 2.080 -0.064) 16.706 19.526 ( 0.513 -0.820 4.684) 4.783 20.450 ( 7.434 1.399 -2.569) 7.989 ======================= Grid point 47 (37/417) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( -25.243 -0.000 0.000) 25.243 1.878 ( -26.520 -0.000 0.000) 26.520 3.096 ( -38.216 -0.000 0.000) 38.216 3.410 ( -5.887 -0.000 0.000) 5.887 3.979 ( -15.103 -0.000 0.000) 15.103 5.592 ( 10.607 0.000 -0.000) 10.607 7.735 ( -8.764 -0.000 0.000) 8.764 10.108 ( 14.440 0.000 -0.000) 14.440 11.667 ( -0.693 -0.000 0.000) 0.693 15.197 ( -10.940 -0.000 0.000) 10.940 19.520 ( -1.561 -0.000 0.000) 1.561 20.574 ( 7.561 0.000 -0.000) 7.561 ======================= Grid point 52 (38/417) ======================= q-point: ( 0.19 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( -0.000 22.477 3.728) 22.784 1.628 ( -0.000 22.445 3.998) 22.798 2.807 ( -0.000 40.325 1.194) 40.343 3.314 ( -0.000 2.449 0.151) 2.454 3.875 ( -0.000 18.661 1.625) 18.732 5.644 ( 0.000 -9.321 -4.061) 10.167 7.766 ( -0.000 7.300 5.115) 8.914 9.941 ( 0.000 -3.624 -11.689) 12.238 11.753 ( 0.000 -0.390 -9.297) 9.305 15.037 ( 0.000 5.324 -1.916) 5.658 18.835 ( 0.000 21.949 -38.705) 44.495 21.299 ( -0.000 -27.951 38.403) 47.498 ======================= Grid point 53 (39/417) ======================= q-point: ( 0.25 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( 5.110 21.896 1.350) 22.525 1.931 ( 9.533 20.541 3.056) 22.851 3.211 ( 5.883 32.278 -2.860) 32.935 3.379 ( 4.299 3.317 -0.289) 5.438 4.093 ( 2.725 19.388 4.725) 20.140 5.522 ( -2.410 -8.838 -3.633) 9.855 7.845 ( -0.310 7.787 3.458) 8.526 9.896 ( 4.718 -12.273 -3.890) 13.712 11.629 ( -9.336 3.519 -14.786) 17.837 15.150 ( 6.378 8.334 -1.620) 10.618 18.960 ( 4.945 16.227 -28.882) 33.495 21.088 ( -7.652 -23.612 25.700) 35.729 ======================= Grid point 54 (40/417) ======================= q-point: ( 0.31 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( 9.626 20.337 -1.087) 22.526 2.322 ( 12.913 18.532 2.580) 22.734 3.467 ( 3.232 7.774 -4.725) 9.655 3.610 ( 11.246 18.392 -3.314) 21.811 4.353 ( 4.175 17.760 7.459) 19.710 5.383 ( -3.643 -6.728 -2.392) 8.016 7.944 ( 1.669 8.887 1.923) 9.245 9.770 ( -2.635 -17.704 -1.984) 18.009 11.504 ( -3.359 5.048 -11.875) 13.333 15.388 ( 10.409 13.113 -1.755) 16.834 19.075 ( 3.975 9.153 -22.772) 24.863 20.792 ( -11.215 -18.356 13.979) 25.654 ======================= Grid point 55 (41/417) ======================= q-point: ( 0.38 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.353 ( 13.301 18.097 -2.808) 22.634 2.703 ( 11.302 16.402 2.437) 20.067 3.557 ( 1.526 6.596 -5.889) 8.973 3.940 ( 12.440 11.359 -5.684) 17.779 4.596 ( 3.862 12.590 8.275) 15.553 5.273 ( -3.063 -3.015 -0.368) 4.313 8.071 ( 2.419 7.802 0.859) 8.214 9.480 ( -12.094 -11.226 -4.642) 17.142 11.548 ( 8.199 -0.775 -2.372) 8.570 15.724 ( 12.135 18.888 -1.786) 22.521 19.099 ( 0.622 2.259 -19.641) 19.780 20.478 ( -11.622 -13.326 4.671) 18.288 ======================= Grid point 56 (42/417) ======================= q-point: ( 0.44 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.743 ( 15.437 15.121 -3.912) 21.961 3.011 ( 7.215 13.884 2.459) 15.839 3.607 ( 0.671 4.813 -6.714) 8.288 4.175 ( 6.192 8.599 -6.872) 12.630 4.777 ( 4.826 5.277 8.389) 11.024 5.228 ( -0.951 -0.236 1.473) 1.769 8.123 ( -1.642 -1.347 -0.603) 2.208 9.219 ( -12.935 7.881 -4.668) 15.850 11.700 ( 14.320 -9.651 4.240) 17.781 16.125 ( 10.931 24.911 -1.186) 27.229 19.012 ( -1.904 -4.597 -16.919) 17.635 20.204 ( -9.038 -8.410 -1.026) 12.388 ======================= Grid point 57 (43/417) ======================= q-point: ( 0.50 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.105 ( 13.760 10.839 -5.594) 18.388 3.222 ( 3.384 10.781 3.690) 11.887 3.635 ( 1.187 2.990 -6.680) 7.414 4.256 ( -4.350 10.393 -5.775) 12.660 4.924 ( 6.131 0.763 6.784) 9.176 5.228 ( 1.296 -2.732 2.596) 3.985 7.994 ( -4.810 -9.586 -1.637) 10.850 9.186 ( -11.013 25.777 -2.113) 28.111 11.828 ( 14.524 -18.071 4.204) 23.563 16.522 ( 4.310 29.888 -0.712) 30.205 18.866 ( 0.273 -10.711 -11.952) 16.051 20.025 ( -4.422 -3.950 -2.587) 6.469 ======================= Grid point 58 (44/417) ======================= q-point: ( 0.56 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.266 ( -0.662 6.109 -4.854) 7.831 3.419 ( 6.306 5.585 4.452) 9.527 3.667 ( 2.893 2.120 -7.184) 8.030 4.229 ( -9.779 14.262 -3.572) 17.658 5.007 ( 0.905 -0.576 2.302) 2.539 5.236 ( 4.621 -8.029 4.967) 10.512 7.855 ( 0.343 -7.687 -0.705) 7.727 9.261 ( -13.941 31.200 0.335) 34.174 11.846 ( 11.512 -24.399 -1.134) 27.002 16.777 ( -9.159 29.867 -1.931) 31.299 18.794 ( 9.226 -12.541 -3.729) 16.009 19.964 ( 0.279 -0.785 -1.078) 1.362 ======================= Grid point 59 (45/417) ======================= q-point: (-0.38 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.233 ( -6.045 2.069 -3.987) 7.532 3.445 ( -7.747 0.218 2.280) 8.078 3.735 ( 3.511 2.518 -2.589) 5.037 4.227 ( -6.169 16.539 -3.755) 18.047 4.955 ( -3.557 -5.624 0.243) 6.659 5.252 ( 3.618 -7.590 5.235) 9.904 7.878 ( 8.554 -3.355 0.668) 9.213 9.298 ( -17.462 29.584 2.551) 34.447 11.750 ( 8.725 -26.393 -6.926) 28.648 16.755 ( -21.658 21.744 -3.038) 30.840 18.919 ( 16.535 -7.750 3.370) 18.569 20.002 ( 3.814 0.869 1.198) 4.091 ======================= Grid point 60 (46/417) ======================= q-point: (-0.31 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.069 ( -12.522 -2.571 -2.772) 13.081 3.250 ( -15.238 1.469 0.053) 15.309 3.777 ( -2.181 3.883 1.915) 4.847 4.292 ( -2.455 12.425 -5.142) 13.669 4.802 ( -5.479 -10.616 1.644) 12.059 5.237 ( -0.029 -3.974 2.828) 4.877 8.037 ( 10.762 -1.167 1.020) 10.873 9.286 ( -14.260 23.159 3.822) 27.465 11.620 ( 7.638 -21.961 -8.297) 24.687 16.499 ( -26.294 11.910 -1.937) 28.930 19.160 ( 15.330 -2.727 5.021) 16.360 20.101 ( 5.798 1.270 2.164) 6.317 ======================= Grid point 61 (47/417) ======================= q-point: (-0.25 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.762 ( -19.419 -3.080 -1.079) 19.691 2.993 ( -17.874 1.722 -0.519) 17.964 3.748 ( -6.293 3.412 1.790) 7.379 4.294 ( -7.759 5.713 -3.747) 10.338 4.597 ( -7.759 -9.291 2.027) 12.274 5.220 ( 1.026 -0.737 0.841) 1.518 8.138 ( 0.490 -0.568 0.464) 0.882 9.351 ( 1.330 12.266 2.856) 12.664 11.554 ( 6.928 -11.791 -4.517) 14.403 16.135 ( -25.784 4.636 -0.547) 26.203 19.371 ( 9.910 -0.639 3.105) 10.405 20.221 ( 6.537 0.866 1.222) 6.707 ======================= Grid point 62 (48/417) ======================= q-point: (-0.19 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.391 ( -22.843 -0.000 0.000) 22.843 2.677 ( -21.188 -0.000 0.000) 21.188 3.648 ( -7.907 -0.000 0.000) 7.907 4.082 ( -19.678 -0.000 0.000) 19.678 4.408 ( -10.164 -0.000 0.000) 10.164 5.281 ( 6.347 0.000 -0.000) 6.347 8.055 ( -8.772 -0.000 0.000) 8.772 9.562 ( 14.747 0.000 -0.000) 14.747 11.594 ( 5.093 0.000 -0.000) 5.093 15.754 ( -22.262 -0.000 0.000) 22.262 19.491 ( 4.447 0.000 -0.000) 4.447 20.337 ( 6.770 0.000 -0.000) 6.770 ======================= Grid point 69 (49/417) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( -0.000 22.252 0.390) 22.256 2.045 ( -0.000 18.998 2.162) 19.121 3.361 ( 0.000 2.310 -0.153) 2.315 3.438 ( 0.000 25.840 -6.513) 26.648 4.301 ( -0.000 23.345 6.744) 24.299 5.449 ( 0.000 -7.839 -3.031) 8.404 7.925 ( -0.000 6.404 2.202) 6.772 9.709 ( 0.000 -16.503 -1.354) 16.558 11.692 ( 0.000 3.368 -16.465) 16.806 15.167 ( 0.000 9.258 -0.999) 9.311 18.995 ( 0.000 16.170 -23.347) 28.400 20.998 ( -0.000 -22.898 18.177) 29.235 ======================= Grid point 70 (50/417) ======================= q-point: ( 0.31 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( 3.623 21.502 -1.603) 21.864 2.306 ( 9.213 16.853 1.905) 19.301 3.431 ( 5.299 2.865 -1.004) 6.107 3.636 ( 3.124 15.485 -8.952) 18.157 4.556 ( -0.108 23.444 7.950) 24.755 5.363 ( -1.666 -4.888 -1.635) 5.417 7.999 ( 1.460 6.560 0.833) 6.771 9.554 ( 3.019 -21.831 -0.631) 22.048 11.613 ( -6.464 4.812 -13.990) 16.145 15.334 ( 8.360 11.606 -0.974) 14.337 19.074 ( 0.604 12.299 -19.142) 22.761 20.791 ( -5.666 -19.409 10.105) 22.603 ======================= Grid point 71 (51/417) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.355 ( 7.359 19.850 -3.573) 21.469 2.651 ( 12.746 14.208 2.244) 19.219 3.548 ( 4.178 4.366 -4.601) 7.595 3.805 ( 9.596 5.965 -7.046) 13.316 4.769 ( -1.931 18.002 7.186) 19.479 5.302 ( -2.421 0.132 0.418) 2.461 8.104 ( 2.541 6.428 0.426) 6.925 9.386 ( 2.609 -19.809 -2.822) 20.179 11.526 ( -3.915 3.202 -5.697) 7.618 15.649 ( 14.589 14.924 -1.607) 20.932 19.096 ( -2.277 6.790 -17.099) 18.538 20.525 ( -8.699 -14.952 3.114) 17.577 ======================= Grid point 72 (52/417) ======================= q-point: ( 0.44 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.668 ( 10.477 17.276 -4.835) 20.775 2.986 ( 11.338 11.345 2.808) 16.284 3.596 ( 0.945 1.985 -8.099) 8.392 4.039 ( 14.410 4.172 -4.375) 15.627 4.875 ( -3.357 9.374 6.381) 11.826 5.285 ( -3.229 4.299 2.010) 5.740 8.145 ( -2.542 -1.419 -0.437) 2.944 9.314 ( 4.794 -1.894 -3.963) 6.502 11.507 ( 1.911 -3.748 2.993) 5.164 16.082 ( 18.400 19.090 -1.602) 26.562 19.004 ( -6.348 0.337 -15.954) 17.174 20.258 ( -8.639 -10.206 -1.565) 13.463 ======================= Grid point 73 (53/417) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.986 ( 11.708 13.395 -5.534) 18.631 3.248 ( 7.097 8.606 3.684) 11.748 3.590 ( 1.710 -0.645 -8.310) 8.508 4.296 ( 10.168 8.230 -4.877) 13.961 4.908 ( -1.092 2.099 7.409) 7.778 5.264 ( -4.890 2.631 2.034) 5.913 7.993 ( -6.880 -9.579 -1.588) 11.901 9.481 ( 4.197 19.897 -2.763) 20.521 11.509 ( 5.621 -13.869 6.682) 16.389 16.596 ( 18.263 24.113 -0.569) 30.253 18.794 ( -8.337 -7.312 -13.729) 17.648 20.054 ( -5.570 -5.531 -3.215) 8.483 ======================= Grid point 74 (54/417) ======================= q-point: ( 0.56 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.238 ( 7.418 6.774 -6.101) 11.753 3.414 ( 3.984 6.000 5.276) 8.928 3.607 ( 3.638 0.567 -7.333) 8.205 4.465 ( -1.198 14.202 -5.352) 15.224 4.959 ( 5.054 -2.827 7.464) 9.447 5.177 ( -5.701 -3.577 1.852) 6.980 7.799 ( -3.670 -8.737 -1.210) 9.553 9.739 ( -4.031 31.592 -0.793) 31.858 11.450 ( 6.846 -23.999 3.827) 25.248 17.092 ( 8.154 29.445 -0.192) 30.554 18.545 ( -1.358 -15.633 -8.503) 17.848 19.953 ( -1.232 -1.921 -2.306) 3.244 ======================= Grid point 75 (55/417) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.293 ( -1.455 0.742 -3.969) 4.292 3.544 ( 0.680 3.315 6.195) 7.059 3.657 ( 4.543 2.238 -7.339) 8.917 4.511 ( -7.911 16.574 -3.749) 18.744 4.990 ( -6.806 -3.645 0.453) 7.734 5.091 ( 8.031 -9.114 5.893) 13.501 7.732 ( 4.023 -4.539 -0.192) 6.068 9.896 ( -15.808 32.980 2.081) 36.632 11.321 ( 8.909 -28.411 -2.386) 29.870 17.296 ( -16.941 24.479 -2.572) 29.881 18.514 ( 19.092 -14.438 -0.382) 23.940 19.953 ( 2.593 0.018 -0.459) 2.633 ======================= Grid point 76 (56/417) ======================= q-point: (-0.31 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.210 ( -7.243 -0.825 -1.742) 7.495 3.483 ( -10.427 1.504 0.874) 10.571 3.759 ( 5.607 0.896 -0.847) 5.741 4.522 ( -8.492 16.167 -3.478) 18.590 4.791 ( -6.140 -12.121 1.846) 13.713 5.173 ( 5.035 -2.880 2.298) 6.239 7.836 ( 10.998 -1.260 0.326) 11.075 9.828 ( -23.446 19.296 2.789) 30.493 11.247 ( 11.558 -17.811 -4.463) 21.696 17.046 ( -27.935 9.110 -1.853) 29.441 18.818 ( 23.591 -3.916 2.082) 24.004 20.023 ( 5.066 0.472 0.559) 5.119 ======================= Grid point 77 (57/417) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.026 ( -13.965 -0.000 0.000) 13.965 3.274 ( -15.113 -0.000 0.000) 15.113 3.818 ( 0.318 0.000 -0.000) 0.318 4.463 ( -8.800 -0.000 0.000) 8.800 4.637 ( -3.969 -0.000 0.000) 3.969 5.209 ( 0.837 0.000 -0.000) 0.837 8.029 ( 11.065 0.000 -0.000) 11.065 9.564 ( -17.308 -0.000 0.000) 17.308 11.340 ( 10.201 0.000 -0.000) 10.201 16.611 ( -28.342 -0.000 0.000) 28.342 19.149 ( 17.138 0.000 -0.000) 17.138 20.121 ( 6.170 0.000 -0.000) 6.170 ======================= Grid point 86 (58/417) ======================= q-point: ( 0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( 0.000 21.452 -2.303) 21.576 2.383 ( -0.000 15.218 1.067) 15.256 3.397 ( 0.000 1.619 -0.477) 1.688 3.699 ( 0.000 8.584 -10.797) 13.794 4.809 ( -0.000 21.881 7.001) 22.974 5.347 ( -0.000 -0.107 0.152) 0.186 8.034 ( 0.000 4.608 -1.047) 4.726 9.296 ( 0.000 -25.468 -0.467) 25.472 11.665 ( 0.000 4.147 -13.757) 14.369 15.368 ( -0.000 11.659 0.068) 11.659 19.135 ( 0.000 11.939 -15.529) 19.588 20.684 ( -0.000 -17.678 5.319) 18.461 ======================= Grid point 87 (59/417) ======================= q-point: ( 0.38 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.456 ( 2.378 20.191 -3.980) 20.716 2.601 ( 8.759 12.966 1.521) 15.721 3.469 ( 6.434 1.799 -1.282) 6.802 3.724 ( 1.925 1.751 -10.015) 10.348 4.984 ( -2.049 13.184 4.321) 14.024 5.376 ( -1.652 8.099 2.830) 8.736 8.103 ( 3.545 4.490 -1.425) 5.895 9.078 ( 4.811 -25.851 -2.063) 26.376 11.620 ( -4.510 3.577 -8.630) 10.373 15.564 ( 9.689 12.303 -0.209) 15.662 19.170 ( -2.819 8.965 -13.383) 16.353 20.500 ( -4.503 -14.327 0.922) 15.046 ======================= Grid point 88 (60/417) ======================= q-point: ( 0.44 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.689 ( 5.584 17.951 -5.474) 19.580 2.895 ( 11.844 9.682 2.613) 15.519 3.560 ( 2.119 0.182 -6.420) 6.763 3.806 ( 12.785 -0.196 -3.889) 13.365 5.032 ( -3.719 5.706 2.768) 7.351 5.439 ( -4.632 11.594 3.794) 13.049 8.165 ( -1.042 -0.650 -0.983) 1.573 9.027 ( 16.395 -13.978 -3.243) 21.787 11.545 ( -5.198 1.045 -1.105) 5.416 15.916 ( 18.115 13.290 -0.953) 22.488 19.106 ( -7.897 4.553 -12.356) 15.355 20.282 ( -6.825 -10.340 -2.144) 12.573 ======================= Grid point 89 (61/417) ======================= q-point: ( 0.50 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.940 ( 7.878 14.593 -5.958) 17.621 3.174 ( 11.027 6.072 3.860) 13.167 3.529 ( 0.379 -2.864 -7.512) 8.048 4.083 ( 18.243 2.809 -1.809) 18.546 5.008 ( -4.604 2.185 3.085) 5.957 5.441 ( -8.305 8.304 2.867) 12.089 8.025 ( -7.858 -8.551 -1.526) 11.713 9.345 ( 25.042 5.653 -2.448) 25.789 11.450 ( -5.508 -4.580 4.484) 8.451 16.405 ( 24.827 14.699 -0.756) 28.862 18.906 ( -13.684 -0.913 -11.127) 17.661 20.083 ( -6.034 -6.143 -3.214) 9.191 ======================= Grid point 90 (62/417) ======================= q-point: ( 0.56 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.168 ( 7.290 8.922 -5.278) 12.673 3.388 ( 7.120 2.774 5.905) 9.658 3.510 ( 4.038 -1.367 -7.336) 8.485 4.412 ( 16.544 5.986 -2.819) 17.818 4.949 ( -4.267 -1.327 4.264) 6.177 5.339 ( -11.494 3.107 1.644) 12.019 7.806 ( -7.107 -7.571 -1.222) 10.456 9.852 ( 21.312 18.161 -2.077) 28.077 11.279 ( -7.517 -13.335 5.546) 16.281 17.000 ( 28.193 16.839 0.465) 32.842 18.570 ( -17.567 -7.364 -8.492) 20.855 19.956 ( -2.900 -2.570 -2.435) 4.577 ======================= Grid point 91 (63/417) ======================= q-point: ( 0.62 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.283 ( 2.172 1.557 -2.641) 3.757 3.517 ( 5.971 1.383 4.080) 7.363 3.588 ( 5.017 1.456 -4.684) 7.016 4.693 ( 6.354 12.672 -5.617) 15.249 4.891 ( 2.651 -8.925 6.566) 11.393 5.142 ( -13.344 -0.872 0.654) 13.389 7.672 ( -1.751 -3.442 -0.433) 3.886 10.334 ( 8.341 29.335 -0.925) 30.512 10.976 ( -6.624 -26.342 2.278) 27.258 17.618 ( 18.691 23.624 1.337) 30.154 18.163 ( -10.426 -18.621 -4.457) 21.801 19.920 ( 0.675 -0.516 -0.893) 1.233 ======================= Grid point 92 (64/417) ======================= q-point: (-0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.281 ( -2.238 -0.000 0.000) 2.238 3.608 ( -2.886 -0.000 0.000) 2.886 3.648 ( 7.374 0.000 -0.000) 7.374 4.748 ( -4.369 -0.000 0.000) 4.369 4.849 ( -11.119 -0.000 0.000) 11.119 5.041 ( 7.820 0.000 -0.000) 7.820 7.687 ( 5.503 0.000 -0.000) 5.503 10.377 ( -26.879 -0.000 0.000) 26.879 10.885 ( 18.333 0.000 -0.000) 18.333 17.566 ( -28.577 -0.000 0.000) 28.577 18.333 ( 31.573 0.000 -0.000) 31.573 19.953 ( 3.460 0.000 -0.000) 3.460 ======================= Grid point 103 (65/417) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.623 ( 0.000 19.826 -3.927) 20.211 2.640 ( -0.000 11.062 0.613) 11.079 3.415 ( 0.000 0.626 -0.658) 0.908 3.675 ( 0.000 -2.600 -9.480) 9.830 5.097 ( -0.000 5.550 1.651) 5.790 5.522 ( -0.000 14.859 4.706) 15.586 8.091 ( 0.000 2.810 -2.743) 3.927 8.773 ( 0.000 -26.649 -2.455) 26.762 11.659 ( 0.000 2.637 -7.955) 8.380 15.592 ( -0.000 10.788 0.640) 10.807 19.242 ( 0.000 8.223 -10.370) 13.235 20.411 ( 0.000 -11.922 -1.051) 11.969 ======================= Grid point 104 (66/417) ======================= q-point: ( 0.44 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.766 ( 2.944 12.980 -3.479) 13.757 2.841 ( 6.239 13.079 0.050) 14.491 3.477 ( 5.589 -0.123 -2.124) 5.980 3.626 ( 3.888 -4.798 -5.890) 8.534 5.122 ( -1.868 2.825 1.009) 3.534 5.650 ( -3.534 13.485 4.096) 14.530 8.149 ( 2.871 1.248 -1.864) 3.643 8.597 ( 10.951 -20.574 -3.218) 23.528 11.629 ( -3.448 1.594 -3.847) 5.406 15.778 ( 10.588 9.428 0.222) 14.179 19.237 ( -5.317 5.651 -8.446) 11.469 20.272 ( -3.855 -8.687 -2.318) 9.782 ======================= Grid point 105 (67/417) ======================= q-point: ( 0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.943 ( 5.892 11.086 -4.877) 13.468 3.071 ( 8.595 7.821 2.436) 11.873 3.467 ( 0.065 -5.244 -5.003) 7.248 3.789 ( 17.255 0.081 -0.701) 17.270 5.101 ( -3.578 1.485 1.016) 4.005 5.675 ( -7.807 8.680 2.629) 11.966 8.072 ( -6.829 -6.475 -1.343) 9.506 8.846 ( 31.621 -3.597 -2.032) 31.890 11.551 ( -6.348 -0.063 0.497) 6.367 16.121 ( 20.665 7.921 -0.295) 22.133 19.107 ( -12.112 2.268 -6.778) 14.063 20.115 ( -5.566 -5.194 -2.465) 8.002 ======================= Grid point 106 (68/417) ======================= q-point: ( 0.56 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.125 ( 6.430 7.133 -3.872) 10.354 3.283 ( 9.273 2.976 4.184) 10.599 3.415 ( 1.927 -4.260 -4.152) 6.253 4.116 ( 20.636 1.198 -0.477) 20.676 5.040 ( -5.188 0.273 0.974) 5.286 5.576 ( -11.631 3.507 1.158) 12.204 7.877 ( -8.585 -4.446 -0.784) 9.700 9.431 ( 36.838 3.228 -0.915) 36.991 11.405 ( -11.180 -2.123 2.081) 11.569 16.604 ( 29.494 5.657 -0.108) 30.032 18.835 ( -19.053 -0.669 -4.138) 19.509 19.988 ( -4.480 -1.997 -1.469) 5.120 ======================= Grid point 107 (69/417) ======================= q-point: (-0.38 -0.62 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.239 ( 3.995 0.000 -0.000) 3.995 3.437 ( 4.644 0.000 -0.000) 4.644 3.465 ( 9.155 0.000 -0.000) 9.155 4.464 ( 19.982 0.000 -0.000) 19.982 4.944 ( -6.398 -0.000 0.000) 6.398 5.377 ( -14.069 -0.000 0.000) 14.069 7.725 ( -6.550 -0.000 0.000) 6.550 10.044 ( 33.061 0.000 -0.000) 33.061 11.148 ( -18.125 -0.000 0.000) 18.125 17.179 ( 35.217 0.000 -0.000) 35.217 18.457 ( -24.337 -0.000 0.000) 24.337 19.924 ( -1.913 -0.000 0.000) 1.913 ======================= Grid point 121 (70/417) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.809 ( -0.000 6.098 0.381) 6.110 2.944 ( 0.000 15.914 -3.629) 16.323 3.415 ( 0.000 -0.094 -0.521) 0.529 3.520 ( 0.000 -7.517 -4.718) 8.875 5.162 ( -0.000 1.760 0.509) 1.832 5.810 ( -0.000 10.324 3.028) 10.759 8.112 ( 0.000 1.312 -2.161) 2.528 8.314 ( 0.000 -17.642 -2.531) 17.823 11.656 ( 0.000 0.946 -3.265) 3.399 15.766 ( -0.000 6.459 0.535) 6.481 19.310 ( 0.000 4.314 -5.408) 6.918 20.227 ( 0.000 -5.949 -2.041) 6.290 ======================= Grid point 122 (71/417) ======================= q-point: ( 0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.899 ( 5.076 3.336 -0.382) 6.086 3.086 ( 2.460 10.674 -1.526) 11.060 3.402 ( -0.527 -5.524 -2.058) 5.918 3.539 ( 11.251 -1.332 -0.444) 11.339 5.160 ( -1.887 0.852 0.308) 2.094 5.855 ( -4.567 5.184 1.502) 7.071 8.111 ( -3.835 -3.355 -0.818) 5.161 8.334 ( 21.561 -4.628 -1.582) 22.109 11.630 ( -2.968 0.348 -0.994) 3.150 15.907 ( 11.121 3.534 0.154) 11.670 19.272 ( -6.702 1.958 -2.953) 7.581 20.148 ( -3.559 -2.893 -1.281) 4.763 ======================= Grid point 123 (72/417) ======================= q-point: (-0.44 -0.56 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.027 ( 7.982 0.000 -0.000) 7.982 3.201 ( 4.890 0.000 -0.000) 4.890 3.357 ( 0.343 0.000 -0.000) 0.343 3.789 ( 18.464 0.000 -0.000) 18.464 5.118 ( -3.717 -0.000 0.000) 3.717 5.770 ( -8.835 -0.000 0.000) 8.835 7.990 ( -7.505 -0.000 0.000) 7.505 8.814 ( 36.148 0.000 -0.000) 36.148 11.552 ( -6.789 -0.000 0.000) 6.789 16.198 ( 21.652 0.000 -0.000) 21.652 19.105 ( -13.751 -0.000 0.000) 13.751 20.057 ( -5.097 -0.000 0.000) 5.097 ======================= Grid point 140 (73/417) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 586 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.871 ( -0.000 0.000 0.000) 0.000 3.123 ( -0.000 0.000 0.000) 0.000 3.394 ( -0.000 0.000 0.000) 0.000 3.411 ( -0.000 0.000 0.000) 0.000 5.180 ( -0.000 0.000 0.000) 0.000 5.922 ( -0.000 0.000 0.000) 0.000 8.117 ( -0.000 0.000 0.000) 0.000 8.127 ( -0.000 0.000 0.000) 0.000 11.654 ( -0.000 0.000 0.000) 0.000 15.831 ( -0.000 0.000 0.000) 0.000 19.333 ( -0.000 0.000 0.000) 0.000 20.162 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 280 (74/417) ======================= q-point: ( 0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.247 ( -0.000 0.000 24.350) 24.350 0.247 ( -0.000 0.000 24.350) 24.350 0.392 ( -0.000 0.000 38.886) 38.886 3.222 ( 0.000 -0.000 -0.650) 0.650 3.222 ( 0.000 -0.000 -0.650) 0.650 6.005 ( 0.000 -0.000 -3.172) 3.172 7.428 ( -0.000 0.000 3.548) 3.548 7.428 ( -0.000 0.000 3.548) 3.548 13.723 ( 0.000 -0.000 -0.022) 0.022 14.971 ( 0.000 -0.000 -1.269) 1.269 14.971 ( 0.000 -0.000 -1.269) 1.269 24.390 ( -0.000 0.000 0.280) 0.280 ======================= Grid point 281 (75/417) ======================= q-point: ( 0.12 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.564 ( 13.799 7.967 18.015) 24.051 0.619 ( 21.021 12.136 10.829) 26.579 1.074 ( 38.037 21.960 14.350) 46.206 3.219 ( 0.425 0.245 -1.439) 1.521 3.338 ( 9.542 5.509 0.808) 11.048 5.952 ( -3.664 -2.115 -4.027) 5.841 7.449 ( 1.660 0.959 2.766) 3.366 9.470 ( 64.251 37.095 -89.365) 116.148 12.125 ( -45.132 -26.057 44.902) 68.790 14.977 ( 0.775 0.448 -1.098) 1.417 17.634 ( 86.308 49.830 -121.635) 157.249 22.596 ( -74.739 -43.150 111.474) 140.976 ======================= Grid point 282 (76/417) ======================= q-point: ( 0.19 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( 18.079 10.438 9.235) 22.828 1.131 ( 22.266 12.855 6.154) 26.437 1.958 ( 38.093 21.993 6.319) 44.437 3.231 ( 1.130 0.653 -2.008) 2.395 3.620 ( 14.731 8.505 3.015) 17.275 5.822 ( -6.629 -3.827 -4.436) 8.847 7.518 ( 3.882 2.241 1.371) 4.687 10.138 ( 21.561 12.448 -33.431) 41.683 11.543 ( -18.039 -10.415 2.020) 20.928 15.005 ( 2.185 1.262 -0.768) 2.638 18.558 ( 36.083 20.832 -65.971) 78.027 21.737 ( -38.267 -22.094 69.180) 82.088 ======================= Grid point 283 (77/417) ======================= q-point: ( 0.25 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( 20.903 12.069 3.777) 24.431 1.629 ( 21.042 12.149 4.312) 24.677 2.778 ( 34.554 19.950 1.408) 39.924 3.255 ( 1.620 0.935 -2.311) 2.973 3.979 ( 16.022 9.250 4.857) 19.127 5.639 ( -8.386 -4.842 -4.241) 10.572 7.627 ( 5.822 3.362 -0.358) 6.733 10.204 ( -11.319 -6.535 -1.223) 13.127 11.391 ( 9.019 5.207 -24.108) 26.261 15.076 ( 4.580 2.644 -0.354) 5.300 18.976 ( 19.144 11.053 -38.491) 44.387 21.213 ( -27.016 -15.598 40.224) 50.903 ======================= Grid point 284 (78/417) ======================= q-point: ( 0.31 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.906 ( 22.561 13.025 0.717) 26.061 2.081 ( 18.505 10.684 3.346) 21.629 3.284 ( 1.681 0.971 -2.369) 3.063 3.473 ( 28.009 16.171 -2.726) 32.456 4.341 ( 14.845 8.571 5.828) 18.105 5.439 ( -8.169 -4.717 -3.068) 9.920 7.769 ( 7.304 4.217 -1.873) 8.640 9.751 ( -25.786 -14.888 -1.830) 29.831 11.676 ( 19.865 11.469 -16.930) 28.509 15.206 ( 7.112 4.106 0.016) 8.212 19.182 ( 9.652 5.572 -25.817) 28.120 20.785 ( -21.030 -12.142 20.507) 31.784 ======================= Grid point 285 (79/417) ======================= q-point: ( 0.38 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.413 ( 23.190 13.389 -0.941) 26.794 2.462 ( 15.020 8.672 2.663) 17.547 3.309 ( 1.202 0.694 -2.217) 2.615 3.961 ( 16.579 9.572 -6.557) 20.235 4.662 ( 12.268 7.083 5.421) 15.167 5.288 ( -4.060 -2.344 -0.196) 4.692 7.931 ( 7.877 4.548 -2.722) 9.494 9.145 ( -26.759 -15.449 -4.953) 31.293 12.079 ( 19.193 11.081 -6.576) 23.118 15.382 ( 8.450 4.879 0.273) 9.761 19.246 ( 3.284 1.896 -19.121) 19.494 20.424 ( -15.586 -8.999 7.133) 19.359 ======================= Grid point 286 (80/417) ======================= q-point: ( 0.44 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.757 ( 10.910 6.299 1.919) 12.743 2.916 ( 22.584 13.039 -1.852) 26.144 3.320 ( 0.310 0.179 -1.809) 1.844 4.134 ( 1.688 0.974 -8.698) 8.914 4.900 ( 7.518 4.340 3.343) 9.302 5.292 ( 3.765 2.173 3.528) 5.598 8.089 ( 6.983 4.032 -2.786) 8.531 8.581 ( -21.925 -12.658 -4.662) 25.742 12.446 ( 14.614 8.437 -1.884) 16.980 15.564 ( 7.600 4.388 0.447) 8.787 19.220 ( -0.158 -0.091 -13.357) 13.359 20.158 ( -9.358 -5.403 0.058) 10.806 ======================= Grid point 287 (81/417) ======================= q-point: ( 0.50 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.950 ( 5.951 3.436 0.672) 6.904 3.314 ( -0.262 -0.151 -0.821) 0.875 3.386 ( 20.315 11.729 -2.359) 23.576 4.022 ( -8.228 -4.750 -7.798) 12.291 5.021 ( 3.018 1.743 1.636) 3.850 5.416 ( 4.562 2.634 4.802) 7.128 8.185 ( -12.101 -6.986 -2.436) 14.183 8.209 ( 4.439 2.563 -2.204) 5.579 12.683 ( 7.172 4.141 -3.591) 9.027 15.703 ( 4.467 2.579 0.575) 5.190 19.180 ( 0.204 0.118 -6.299) 6.303 20.017 ( -3.305 -1.908 -1.021) 3.950 ======================= Grid point 288 (82/417) ======================= q-point: (-0.44 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.009 ( -0.778 -0.449 -1.388) 1.654 3.317 ( 0.755 0.436 1.040) 1.358 3.730 ( -8.053 -4.649 -6.192) 11.171 3.803 ( 10.199 5.888 -2.351) 12.009 5.051 ( -0.537 -0.310 0.645) 0.894 5.479 ( -0.806 -0.465 4.859) 4.948 8.059 ( 1.336 0.771 0.488) 1.618 8.262 ( 0.755 0.436 -1.166) 1.456 12.728 ( -1.116 -0.644 -8.734) 8.829 15.755 ( -0.107 -0.062 0.620) 0.632 19.207 ( 3.085 1.781 1.200) 3.758 19.998 ( 1.276 0.737 1.517) 2.115 ======================= Grid point 289 (83/417) ======================= q-point: (-0.38 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.916 ( -6.685 -3.859 -2.517) 8.119 3.345 ( 0.962 0.555 2.069) 2.348 3.357 ( -18.771 -10.838 -4.779) 22.196 4.086 ( 10.658 6.153 -2.493) 12.556 5.004 ( -3.926 -2.267 0.727) 4.591 5.411 ( -6.331 -3.655 4.088) 8.376 8.234 ( -3.053 -1.763 0.166) 3.530 8.244 ( 14.365 8.294 3.225) 16.898 12.594 ( -7.247 -4.184 -11.982) 14.614 15.702 ( -4.695 -2.711 0.490) 5.443 19.314 ( 4.992 2.882 6.142) 8.423 20.071 ( 4.210 2.431 4.263) 6.466 ======================= Grid point 290 (84/417) ======================= q-point: (-0.31 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.709 ( -11.123 -6.422 -2.633) 13.111 2.894 ( -21.575 -12.457 -3.746) 25.193 3.363 ( -0.106 -0.061 2.255) 2.259 4.210 ( 0.187 0.108 -2.605) 2.614 4.868 ( -9.579 -5.531 1.709) 11.193 5.282 ( -4.081 -2.356 2.250) 5.222 8.135 ( -6.010 -3.470 1.583) 7.118 8.679 ( 22.831 13.182 4.705) 26.780 12.360 ( -9.957 -5.749 -10.097) 15.302 15.561 ( -7.825 -4.518 0.146) 9.037 19.442 ( 4.141 2.391 7.058) 8.526 20.200 ( 5.800 3.349 4.677) 8.169 ======================= Grid point 291 (85/417) ======================= q-point: (-0.25 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.391 ( -22.716 -13.115 -2.885) 26.388 2.410 ( -15.097 -8.716 -2.259) 17.578 3.356 ( -1.147 -0.662 2.209) 2.576 4.033 ( -16.111 -9.302 -0.634) 18.615 4.586 ( -15.003 -8.662 -0.715) 17.339 5.308 ( 5.394 3.114 1.518) 6.411 7.989 ( -7.619 -4.399 2.794) 9.230 9.234 ( 25.080 14.480 3.599) 29.182 12.111 ( -10.084 -5.822 -3.662) 12.207 15.375 ( -8.575 -4.951 -0.329) 9.907 19.527 ( 1.515 0.875 5.196) 5.483 20.349 ( 6.451 3.725 2.372) 7.818 ======================= Grid point 292 (86/417) ======================= q-point: (-0.19 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( -22.896 -13.219 -2.024) 26.516 2.031 ( -18.628 -10.755 -1.409) 21.556 3.330 ( -1.743 -1.006 2.013) 2.847 3.516 ( -29.684 -17.138 1.205) 34.297 4.243 ( -15.210 -8.782 -3.195) 17.851 5.481 ( 8.989 5.190 0.980) 10.426 7.827 ( -7.904 -4.564 3.556) 9.795 9.763 ( 21.460 12.390 -0.807) 24.793 11.902 ( -8.759 -5.057 4.360) 11.014 15.197 ( -7.028 -4.058 -0.776) 8.153 19.544 ( -0.889 -0.513 1.576) 1.880 20.497 ( 6.557 3.786 0.255) 7.576 ======================= Grid point 293 (87/417) ======================= q-point: (-0.12 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( -22.509 -12.996 -0.925) 26.008 1.584 ( -21.453 -12.386 0.029) 24.771 2.774 ( -37.212 -21.484 1.184) 42.985 3.296 ( -1.834 -1.059 1.629) 2.672 3.895 ( -15.205 -8.779 -3.122) 17.832 5.684 ( 8.824 5.095 0.150) 10.190 7.671 ( -7.109 -4.105 3.856) 9.070 10.147 ( 14.153 8.171 -7.254) 17.880 11.756 ( -6.747 -3.896 9.868) 12.573 15.069 ( -4.273 -2.467 -1.080) 5.051 19.503 ( -1.891 -1.092 -8.250) 8.534 20.647 ( 6.356 3.669 6.702) 9.939 ======================= Grid point 294 (88/417) ======================= q-point: (-0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( -21.302 -12.299 1.656) 24.653 1.091 ( -23.330 -13.470 2.466) 27.052 1.906 ( -41.294 -23.841 1.773) 47.715 3.263 ( -1.525 -0.881 1.024) 2.037 3.565 ( -13.429 -7.753 -2.224) 15.665 5.859 ( 6.842 3.950 -0.884) 7.950 7.544 ( -5.469 -3.157 3.897) 7.420 10.329 ( 5.803 3.351 -20.784) 21.837 11.672 ( -4.008 -2.314 15.561) 16.235 15.000 ( -1.746 -1.008 -1.238) 2.366 19.362 ( -5.283 -3.050 -47.945) 48.331 20.874 ( 9.110 5.260 46.040) 47.226 ======================= Grid point 297 (89/417) ======================= q-point: ( 0.12 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.620 ( -0.000 14.722 19.093) 24.110 0.698 ( -0.000 22.580 13.770) 26.447 1.111 ( -0.000 41.317 16.406) 44.455 3.236 ( 0.000 1.444 -0.472) 1.519 3.303 ( 0.000 9.160 -0.928) 9.207 5.937 ( 0.000 -4.155 -4.949) 6.462 7.513 ( -0.000 4.138 6.525) 7.727 9.122 ( 0.000 74.466 -76.964) 107.091 12.358 ( -0.000 -48.025 36.516) 60.331 14.957 ( 0.000 0.222 -2.320) 2.331 17.226 ( 0.000 99.791 -97.541) 139.544 22.932 ( -0.000 -84.521 86.845) 121.185 ======================= Grid point 298 (90/417) ======================= q-point: ( 0.19 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( 8.734 14.847 13.540) 21.910 1.056 ( 11.153 22.566 8.929) 26.709 1.754 ( 21.559 37.049 9.029) 43.806 3.251 ( -0.455 3.360 -1.607) 3.752 3.495 ( 10.384 10.635 1.478) 14.937 5.843 ( -3.366 -5.764 -5.405) 8.589 7.553 ( -1.746 6.021 4.963) 7.995 9.733 ( 27.011 29.611 -45.950) 60.974 11.838 ( -24.901 -19.281 11.971) 33.692 14.980 ( 2.359 1.389 -1.902) 3.334 18.031 ( 31.792 46.472 -67.805) 88.136 22.237 ( -28.462 -47.267 68.156) 87.689 ======================= Grid point 299 (91/417) ======================= q-point: ( 0.25 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( 14.321 15.287 6.655) 21.979 1.512 ( 14.869 20.887 5.770) 26.280 2.503 ( 26.589 29.786 3.317) 40.065 3.275 ( -0.646 4.984 -2.121) 5.455 3.822 ( 14.952 10.291 4.065) 18.601 5.687 ( -5.861 -6.639 -5.248) 10.294 7.619 ( 1.034 6.582 2.560) 7.137 10.151 ( 12.558 3.650 -14.189) 19.296 11.377 ( -13.848 -1.596 -14.364) 20.016 15.049 ( 3.470 4.498 -1.317) 5.831 18.622 ( 23.432 21.334 -42.906) 53.340 21.611 ( -26.742 -28.635 45.057) 59.710 ======================= Grid point 300 (92/417) ======================= q-point: ( 0.31 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( 18.331 15.238 1.811) 23.906 1.965 ( 14.496 18.958 4.067) 24.209 3.192 ( 24.743 21.290 -2.033) 32.705 3.313 ( 0.117 7.399 -1.537) 7.557 4.187 ( 15.485 8.883 5.701) 18.740 5.499 ( -6.875 -6.432 -4.212) 10.314 7.730 ( 3.621 7.248 0.410) 8.112 10.004 ( -18.988 -13.083 -0.705) 23.070 11.391 ( 15.538 10.052 -21.766) 28.570 15.176 ( 4.805 8.504 -0.854) 9.805 18.957 ( 14.282 9.812 -29.254) 34.001 21.086 ( -23.128 -19.979 25.916) 40.071 ======================= Grid point 301 (93/417) ======================= q-point: ( 0.38 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.172 ( 20.907 14.584 -1.172) 25.518 2.370 ( 12.151 16.544 3.033) 20.750 3.341 ( -0.997 6.311 -2.591) 6.895 3.752 ( 19.222 15.050 -5.205) 24.962 4.528 ( 13.872 6.802 6.154) 16.630 5.330 ( -5.133 -4.508 -1.692) 7.038 7.876 ( 5.192 8.035 -1.158) 9.636 9.451 ( -27.776 -13.620 -4.277) 31.230 11.768 ( 23.289 7.279 -10.855) 26.706 15.362 ( 5.437 12.596 -0.462) 13.728 19.108 ( 7.396 3.068 -22.134) 23.538 20.635 ( -18.828 -14.281 11.544) 26.301 ======================= Grid point 302 (94/417) ======================= q-point: ( 0.44 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.654 ( 21.385 12.984 -3.407) 25.249 2.699 ( 9.439 13.734 2.626) 16.871 3.370 ( -2.070 6.897 -2.163) 7.519 4.055 ( 7.512 5.693 -8.954) 13.001 4.806 ( 10.431 4.384 5.023) 12.380 5.266 ( 1.126 -0.765 2.517) 2.861 8.035 ( 5.129 7.452 -1.955) 9.255 8.866 ( -26.246 -9.130 -5.096) 28.252 12.169 ( 21.728 1.721 -3.994) 22.159 15.581 ( 4.015 16.017 -0.127) 16.513 19.134 ( 3.325 -1.245 -16.674) 17.047 20.280 ( -12.936 -9.136 2.559) 16.042 ======================= Grid point 303 (95/417) ======================= q-point: ( 0.50 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.926 ( 5.001 9.810 0.351) 11.016 3.118 ( 20.089 9.734 -2.883) 22.508 3.397 ( -1.971 8.872 -1.851) 9.274 4.065 ( -3.981 -1.127 -9.457) 10.322 4.978 ( 5.214 1.985 2.815) 6.249 5.355 ( 6.299 0.530 5.675) 8.495 8.135 ( 1.334 -1.143 -2.008) 2.668 8.440 ( -17.495 4.671 -3.465) 18.436 12.461 ( 16.107 -4.819 -3.780) 17.232 15.780 ( -0.107 17.785 0.032) 17.785 19.112 ( 2.887 -3.159 -9.887) 10.774 20.061 ( -5.964 -4.318 -0.699) 7.396 ======================= Grid point 304 (96/417) ======================= q-point: ( 0.56 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.040 ( -0.344 5.623 -1.298) 5.782 3.349 ( 0.598 4.371 0.826) 4.489 3.596 ( 14.482 11.109 -5.238) 18.989 3.882 ( -10.848 -3.127 -7.309) 13.449 5.045 ( 1.277 -0.258 1.394) 1.908 5.461 ( 3.700 -2.103 6.541) 7.803 8.044 ( -1.623 -5.233 -0.571) 5.509 8.375 ( -6.465 14.762 -1.730) 16.208 12.569 ( 8.604 -11.120 -8.394) 16.375 15.898 ( -6.028 16.831 -0.083) 17.878 19.132 ( 5.591 -2.412 -1.929) 6.387 19.990 ( 0.016 -0.724 0.465) 0.860 ======================= Grid point 305 (97/417) ======================= q-point: (-0.38 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.013 ( -6.423 2.316 -2.536) 7.284 3.367 ( -3.186 0.984 1.108) 3.513 3.571 ( -14.706 -2.393 -5.416) 15.853 3.942 ( 12.623 8.505 -5.038) 16.033 5.031 ( -1.781 -2.523 1.180) 3.306 5.460 ( -2.312 -5.302 6.251) 8.517 8.079 ( 8.260 -0.140 1.503) 8.396 8.402 ( -6.766 15.073 -0.070) 16.522 12.491 ( 2.296 -15.291 -12.971) 20.183 15.895 ( -11.601 13.254 -0.216) 17.616 19.237 ( 7.915 -0.566 4.038) 8.904 20.035 ( 3.856 1.353 3.215) 5.200 ======================= Grid point 306 (98/417) ======================= q-point: (-0.31 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.865 ( -11.652 0.331 -2.665) 11.957 3.102 ( -18.412 -10.758 -4.255) 21.745 3.452 ( -5.423 7.580 1.752) 9.483 4.153 ( 6.724 3.806 -6.024) 9.797 4.944 ( -5.278 -5.479 2.713) 8.077 5.343 ( -5.921 -5.803 4.483) 9.425 8.187 ( 0.285 -1.790 0.974) 2.058 8.557 ( 8.949 19.424 3.665) 21.698 12.299 ( -0.936 -16.417 -13.396) 21.210 15.775 ( -15.116 8.729 -0.223) 17.457 19.385 ( 7.232 0.412 5.406) 9.038 20.149 ( 5.686 2.176 5.021) 7.891 ======================= Grid point 307 (99/417) ======================= q-point: (-0.25 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.610 ( -17.550 -5.240 -2.666) 18.509 2.655 ( -21.071 -6.285 -3.156) 22.214 3.441 ( -5.027 6.034 2.101) 8.130 4.152 ( -6.292 -2.848 -5.423) 8.781 4.734 ( -12.713 -10.168 3.421) 16.635 5.269 ( 1.232 -0.504 2.111) 2.496 8.096 ( -7.577 -1.944 1.656) 7.995 9.022 ( 20.413 18.671 4.250) 27.989 12.084 ( -1.690 -15.021 -9.239) 17.715 15.577 ( -15.887 4.930 -0.312) 16.637 19.499 ( 4.172 0.206 2.507) 4.872 20.287 ( 6.233 2.144 5.277) 8.444 ======================= Grid point 308 (100/417) ======================= q-point: (-0.19 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.148 ( -23.464 -9.746 -2.452) 25.526 2.300 ( -20.906 -1.893 -1.383) 21.037 3.413 ( -5.226 4.544 1.829) 7.163 3.834 ( -23.126 -9.796 -1.649) 25.169 4.399 ( -15.128 -9.980 0.009) 18.124 5.376 ( 8.303 2.745 0.853) 8.787 7.940 ( -8.864 -2.930 2.609) 9.693 9.549 ( 20.646 15.733 1.510) 26.001 11.906 ( -1.504 -12.134 -3.107) 12.616 15.360 ( -13.913 2.523 -0.574) 14.151 19.537 ( 0.661 -0.276 -3.639) 3.709 20.430 ( 6.540 1.723 6.400) 9.311 ======================= Grid point 309 (101/417) ======================= q-point: (-0.12 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( -24.335 -7.817 -1.038) 25.581 1.899 ( -24.273 -2.932 0.047) 24.449 3.227 ( -35.354 -12.435 0.670) 37.483 3.370 ( -5.033 3.068 1.289) 6.034 4.061 ( -15.269 -7.656 -1.503) 17.147 5.563 ( 10.137 2.898 -0.342) 10.549 7.776 ( -8.295 -3.296 3.136) 9.461 9.978 ( 15.364 10.880 -3.311) 19.115 11.779 ( -1.400 -8.966 0.903) 9.120 15.176 ( -9.983 1.304 -0.877) 10.106 19.490 ( -2.513 -0.161 -15.152) 15.360 20.593 ( 7.941 1.255 14.674) 16.732 ======================= Grid point 310 (102/417) ======================= q-point: (-0.06 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( -24.327 -4.892 1.444) 24.856 1.448 ( -26.736 -3.125 2.128) 27.002 2.468 ( -42.824 -9.796 1.952) 43.974 3.320 ( -4.054 1.399 0.365) 4.304 3.741 ( -15.552 -4.226 -0.680) 16.131 5.746 ( 9.312 1.767 -1.565) 9.607 7.629 ( -6.894 -2.977 3.150) 8.143 10.229 ( 6.951 7.080 -11.156) 14.930 11.686 ( -0.650 -7.594 1.801) 7.832 15.053 ( -5.585 0.782 -1.044) 5.735 19.321 ( -8.786 0.508 -40.338) 41.287 20.857 ( 13.735 0.976 40.215) 42.507 ======================= Grid point 314 (103/417) ======================= q-point: ( 0.19 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( -0.000 17.252 12.746) 21.450 1.211 ( -0.000 22.793 8.471) 24.316 2.009 ( -0.000 43.105 7.007) 43.671 3.268 ( 0.000 2.246 -0.482) 2.297 3.546 ( -0.000 15.858 0.635) 15.871 5.789 ( 0.000 -7.264 -5.906) 9.362 7.658 ( -0.000 5.953 6.926) 9.132 9.661 ( 0.000 28.519 -35.331) 45.405 11.896 ( -0.000 -19.066 3.988) 19.479 14.960 ( 0.000 2.144 -2.581) 3.356 18.043 ( 0.000 47.951 -54.560) 72.636 22.186 ( -0.000 -49.887 55.420) 74.565 ======================= Grid point 315 (104/417) ======================= q-point: ( 0.25 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( 5.925 17.896 8.065) 20.504 1.537 ( 9.634 21.915 6.221) 24.734 2.525 ( 11.422 37.861 2.626) 39.633 3.310 ( 1.635 3.661 -1.210) 4.189 3.767 ( 6.922 16.010 3.339) 17.759 5.670 ( -2.870 -7.979 -5.787) 10.266 7.717 ( -1.986 7.080 5.123) 8.962 9.911 ( 13.796 10.362 -17.338) 24.460 11.588 ( -16.535 -7.011 -10.317) 20.712 15.020 ( 4.254 4.542 -2.166) 6.589 18.411 ( 13.788 30.699 -39.376) 51.798 21.783 ( -14.510 -38.082 40.334) 57.338 ======================= Grid point 316 (105/417) ======================= q-point: ( 0.31 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( 11.296 17.672 2.934) 21.178 1.953 ( 12.797 20.877 4.546) 24.905 3.077 ( 15.796 27.817 -2.492) 32.086 3.379 ( 1.450 7.153 -1.214) 7.399 4.079 ( 11.031 13.490 5.944) 18.412 5.513 ( -4.670 -7.562 -4.855) 10.127 7.785 ( 0.041 8.350 2.891) 8.836 10.041 ( 0.760 -9.843 -2.522) 10.189 11.317 ( -5.051 7.480 -19.996) 21.938 15.168 ( 6.433 9.045 -1.871) 11.256 18.750 ( 12.680 16.401 -28.825) 35.506 21.297 ( -18.526 -27.800 25.352) 41.938 ======================= Grid point 317 (106/417) ======================= q-point: ( 0.38 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( 15.610 16.665 -0.932) 22.853 2.366 ( 11.606 19.428 3.539) 22.906 3.396 ( 2.344 8.046 -5.214) 9.870 3.623 ( 13.870 19.122 -2.688) 23.775 4.406 ( 11.663 10.025 7.011) 16.902 5.355 ( -4.579 -5.614 -2.757) 7.751 7.900 ( 2.531 9.520 1.173) 9.920 9.719 ( -20.030 -14.658 -3.273) 25.035 11.459 ( 15.691 8.248 -12.136) 21.483 15.391 ( 7.480 14.711 -1.678) 16.588 18.943 ( 7.889 6.700 -23.045) 25.262 20.824 ( -18.116 -20.072 12.541) 29.805 ======================= Grid point 318 (107/417) ======================= q-point: ( 0.44 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.440 ( 18.375 14.949 -3.642) 23.966 2.720 ( 8.400 17.150 2.961) 19.324 3.462 ( -0.523 7.680 -4.091) 8.718 3.963 ( 9.561 11.325 -7.341) 16.540 4.692 ( 10.523 6.089 6.847) 13.954 5.259 ( -1.361 -2.375 0.667) 2.818 8.042 ( 3.133 8.384 -0.069) 8.950 9.206 ( -24.669 -7.296 -5.133) 26.232 11.797 ( 20.997 0.466 -3.226) 21.249 15.677 ( 6.791 20.589 -1.339) 21.721 18.998 ( 4.080 -0.250 -19.074) 19.507 20.414 ( -14.617 -13.444 3.511) 20.168 ======================= Grid point 319 (108/417) ======================= q-point: ( 0.50 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.862 ( 17.540 12.122 -6.076) 22.170 2.992 ( 5.910 14.145 3.155) 15.651 3.508 ( -1.261 7.893 -3.705) 8.810 4.086 ( -0.502 5.294 -8.979) 10.436 4.907 ( 7.455 2.891 5.196) 9.536 5.277 ( 4.100 -1.101 4.277) 6.026 8.112 ( -0.434 -1.221 -1.179) 1.752 8.815 ( -19.577 9.639 -3.527) 22.104 12.091 ( 18.594 -8.043 -0.829) 20.277 15.979 ( 2.759 25.446 -1.116) 25.619 18.972 ( 3.585 -5.142 -13.769) 15.129 20.125 ( -8.542 -7.321 -0.781) 11.277 ======================= Grid point 320 (109/417) ======================= q-point: ( 0.56 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.102 ( 1.901 8.962 -3.465) 9.795 3.284 ( 12.804 9.112 0.400) 15.720 3.559 ( 1.022 7.686 -5.082) 9.270 4.022 ( -8.498 4.793 -7.287) 12.177 5.019 ( 2.621 0.419 2.577) 3.699 5.369 ( 6.249 -3.742 6.740) 9.924 8.009 ( -2.657 -8.246 -1.129) 8.737 8.725 ( -12.587 23.792 -1.132) 26.940 12.230 ( 12.755 -15.846 -4.351) 20.802 16.214 ( -5.165 27.054 -1.631) 27.590 18.963 ( 7.321 -6.948 -6.018) 11.751 19.990 ( -1.949 -2.486 -0.853) 3.273 ======================= Grid point 321 (110/417) ======================= q-point: (-0.38 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.137 ( -4.357 5.762 -3.030) 7.833 3.443 ( -2.137 2.331 1.686) 3.584 3.665 ( 4.181 2.556 -7.951) 9.340 3.927 ( -5.338 12.151 -4.803) 14.114 5.029 ( -0.666 -2.410 1.370) 2.851 5.421 ( 2.707 -6.810 7.356) 10.383 7.955 ( 4.723 -4.286 0.449) 6.394 8.762 ( -12.535 25.704 0.493) 28.602 12.189 ( 7.172 -21.167 -9.800) 24.403 16.293 ( -14.064 23.739 -2.350) 27.692 19.057 ( 11.750 -5.322 1.264) 12.961 19.993 ( 2.999 0.333 1.239) 3.262 ======================= Grid point 322 (111/417) ======================= q-point: (-0.31 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.055 ( -9.489 3.071 -2.728) 10.340 3.279 ( -14.082 -5.300 -3.024) 15.347 3.656 ( -6.382 8.596 0.328) 10.711 4.062 ( 6.361 9.181 -7.707) 13.571 4.966 ( -3.058 -5.724 2.384) 6.913 5.372 ( -2.600 -7.703 6.153) 10.196 8.070 ( 10.019 -1.568 1.303) 10.225 8.811 ( -10.073 25.388 2.466) 27.425 12.030 ( 4.415 -22.474 -12.455) 26.071 16.195 ( -19.956 17.333 -2.094) 26.515 19.233 ( 12.087 -2.744 3.948) 13.008 20.085 ( 5.662 1.328 3.196) 6.636 ======================= Grid point 323 (112/417) ======================= q-point: (-0.25 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.842 ( -16.362 -4.078 -2.525) 17.051 2.947 ( -18.607 0.087 -2.867) 18.826 3.632 ( -7.410 8.792 1.884) 11.652 4.168 ( 0.768 3.887 -8.776) 9.629 4.820 ( -7.645 -10.202 5.088) 13.726 5.271 ( -2.558 -4.089 3.285) 5.835 8.163 ( 0.372 -1.509 0.970) 1.832 9.002 ( 5.177 22.716 3.955) 23.632 11.855 ( 4.091 -19.596 -10.561) 22.633 15.971 ( -21.976 10.895 -1.300) 24.563 19.400 ( 8.504 -1.247 1.572) 8.738 20.212 ( 6.583 1.068 4.113) 7.835 ======================= Grid point 324 (113/417) ======================= q-point: (-0.19 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.445 ( -22.287 -5.921 -2.222) 23.167 2.646 ( -20.266 2.363 -1.287) 20.444 3.585 ( -7.727 6.347 1.336) 10.089 4.064 ( -12.757 -0.940 -6.653) 14.418 4.548 ( -13.559 -11.035 4.785) 18.125 5.280 ( 4.908 0.149 1.077) 5.027 8.074 ( -8.281 -1.533 1.292) 8.520 9.396 ( 16.292 15.858 2.352) 22.857 11.734 ( 4.019 -13.689 -6.223) 15.565 15.690 ( -20.640 5.830 -0.799) 21.462 19.488 ( 3.589 -0.520 -4.218) 5.563 20.347 ( 7.069 0.210 5.476) 8.945 ======================= Grid point 325 (114/417) ======================= q-point: (-0.12 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.008 ( -24.197 -3.125 -1.091) 24.423 2.295 ( -23.720 0.965 0.123) 23.740 3.507 ( -7.166 2.729 0.143) 7.669 3.679 ( -28.129 -3.882 -2.164) 28.478 4.247 ( -14.305 -5.087 2.199) 15.342 5.413 ( 9.506 0.869 -0.459) 9.557 7.907 ( -9.664 -1.943 1.537) 9.977 9.799 ( 17.149 7.901 -0.509) 18.889 11.676 ( 2.356 -7.003 -4.245) 8.522 15.414 ( -16.583 2.334 -0.709) 16.761 19.479 ( -1.192 0.528 -13.064) 13.129 20.499 ( 8.846 -0.833 11.239) 14.327 ======================= Grid point 326 (115/417) ======================= q-point: (-0.06 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( -24.806 0.589 0.598) 24.820 1.887 ( -26.230 0.267 1.777) 26.291 3.097 ( -37.495 -0.498 -0.007) 37.498 3.405 ( -5.895 -1.094 -0.995) 6.078 3.992 ( -15.412 1.580 2.421) 15.680 5.582 ( 10.408 -0.121 -1.866) 10.575 7.741 ( -8.580 -1.713 1.215) 8.834 10.097 ( 13.575 2.208 -2.028) 13.902 11.622 ( -1.235 -3.055 -8.747) 9.347 15.194 ( -10.952 0.400 -0.684) 10.980 19.364 ( -7.110 2.599 -27.001) 28.042 20.726 ( 14.010 -2.359 26.048) 29.670 ======================= Grid point 331 (116/417) ======================= q-point: ( 0.25 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( -0.000 19.063 6.852) 20.257 1.673 ( -0.000 20.773 5.056) 21.379 2.810 ( -0.000 37.122 -0.647) 37.127 3.312 ( 0.000 2.604 -0.692) 2.695 3.906 ( -0.000 20.070 4.526) 20.574 5.595 ( 0.000 -8.466 -5.681) 10.196 7.815 ( -0.000 6.051 4.598) 7.600 9.832 ( 0.000 5.029 -9.826) 11.038 11.626 ( 0.000 -5.076 -15.598) 16.404 15.018 ( 0.000 5.756 -1.919) 6.068 18.481 ( 0.000 29.383 -31.632) 43.174 21.649 ( -0.000 -37.459 30.978) 48.609 ======================= Grid point 332 (117/417) ======================= q-point: ( 0.31 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( 4.198 19.286 3.246) 20.002 1.967 ( 9.600 19.348 4.051) 21.975 3.172 ( 5.297 28.687 -4.930) 29.586 3.373 ( 4.250 3.890 -0.837) 5.822 4.152 ( 3.147 20.774 6.929) 22.124 5.479 ( -2.191 -7.686 -4.782) 9.313 7.877 ( -0.564 6.651 2.807) 7.241 9.866 ( 5.705 -8.996 -2.025) 10.843 11.456 ( -9.229 4.019 -19.383) 21.841 15.133 ( 6.187 8.667 -1.686) 10.781 18.689 ( 5.455 20.984 -24.924) 33.035 21.320 ( -9.206 -31.251 20.355) 38.415 ======================= Grid point 333 (118/417) ======================= q-point: ( 0.38 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( 8.819 18.637 -0.582) 20.627 2.353 ( 12.950 17.842 3.626) 22.343 3.408 ( 2.914 9.798 -6.809) 12.282 3.582 ( 10.975 14.112 -2.483) 18.049 4.431 ( 4.234 18.346 7.849) 20.399 5.357 ( -3.128 -5.309 -2.936) 6.826 7.962 ( 1.479 8.229 1.625) 8.517 9.750 ( -3.846 -18.322 -1.896) 18.817 11.378 ( -0.009 9.579 -12.911) 16.076 15.369 ( 10.242 13.204 -1.987) 16.828 18.854 ( 4.107 11.912 -21.099) 24.575 20.914 ( -13.285 -23.974 10.324) 29.288 ======================= Grid point 334 (119/417) ======================= q-point: ( 0.44 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( 12.807 17.159 -3.512) 21.697 2.733 ( 11.248 16.118 3.533) 19.970 3.493 ( 1.697 5.816 -6.712) 9.042 3.886 ( 11.526 10.802 -5.090) 16.596 4.675 ( 3.934 12.616 7.411) 15.152 5.270 ( -2.288 -1.757 -0.281) 2.899 8.079 ( 2.024 7.392 0.793) 7.705 9.432 ( -12.926 -11.413 -4.759) 17.888 11.525 ( 11.281 3.324 -2.195) 11.963 15.705 ( 12.320 18.941 -2.027) 22.686 18.903 ( 0.869 3.926 -19.008) 19.429 20.514 ( -13.328 -16.897 2.571) 21.674 ======================= Grid point 335 (120/417) ======================= q-point: ( 0.50 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.694 ( 15.066 14.791 -5.616) 21.847 3.043 ( 7.101 13.957 3.631) 16.075 3.539 ( 1.439 3.451 -6.741) 7.709 4.107 ( 5.271 9.420 -6.730) 12.721 4.855 ( 4.640 5.726 7.152) 10.270 5.246 ( -0.169 -0.068 2.119) 2.127 8.117 ( -2.274 -2.034 -0.642) 3.117 9.177 ( -12.173 8.712 -3.637) 15.404 11.736 ( 14.497 -6.862 3.008) 16.318 16.111 ( 11.233 25.182 -1.570) 27.618 18.845 ( -0.495 -3.366 -16.196) 16.550 20.190 ( -9.711 -10.123 -1.623) 14.121 ======================= Grid point 336 (121/417) ======================= q-point: ( 0.56 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.039 ( 12.885 10.955 -7.073) 18.332 3.262 ( 4.088 11.275 3.789) 12.578 3.569 ( 1.775 1.892 -6.361) 6.870 4.194 ( -3.810 11.583 -6.416) 13.778 4.986 ( 3.929 1.548 5.411) 6.864 5.263 ( 2.824 -3.606 4.417) 6.363 7.978 ( -4.722 -9.618 -1.388) 10.804 9.171 ( -10.088 26.407 -0.792) 28.280 11.856 ( 11.920 -16.596 1.384) 20.480 16.510 ( 3.944 30.228 -1.709) 30.532 18.752 ( 3.608 -9.505 -10.455) 14.584 20.001 ( -3.934 -4.347 -2.244) 6.278 ======================= Grid point 337 (122/417) ======================= q-point: ( 0.62 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.216 ( 1.046 5.862 -4.842) 7.675 3.461 ( 6.088 7.466 3.461) 10.237 3.587 ( 1.842 1.690 -8.475) 8.836 4.187 ( -9.047 15.013 -4.509) 18.099 5.028 ( -0.831 -1.060 1.764) 2.220 5.298 ( 5.576 -8.423 7.180) 12.393 7.849 ( 0.976 -7.462 -0.464) 7.540 9.270 ( -13.279 31.984 1.424) 34.661 11.819 ( 7.938 -23.655 -4.127) 25.290 16.750 ( -9.865 29.718 -3.269) 31.483 18.762 ( 13.113 -11.156 -2.588) 17.410 19.955 ( 1.429 -0.682 -0.755) 1.754 ======================= Grid point 338 (123/417) ======================= q-point: (-0.31 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.199 ( -5.640 2.177 -2.682) 6.614 3.449 ( -9.689 0.658 -1.650) 9.851 3.701 ( 6.748 4.316 -3.999) 8.953 4.185 ( -7.334 16.881 -4.302) 18.901 4.964 ( -3.071 -5.750 1.491) 6.687 5.312 ( 2.887 -8.851 6.709) 11.475 7.884 ( 9.091 -3.386 0.490) 9.714 9.326 ( -17.114 30.433 3.118) 35.054 11.673 ( 6.427 -25.184 -8.322) 27.291 16.721 ( -21.264 21.826 -3.654) 30.690 18.945 ( 18.290 -7.283 1.756) 19.765 20.012 ( 4.906 0.716 0.866) 5.033 ======================= Grid point 339 (124/417) ======================= q-point: (-0.25 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.048 ( -12.470 -1.823 -1.502) 12.692 3.236 ( -15.460 2.477 -2.710) 15.890 3.783 ( -0.621 3.787 -0.912) 3.944 4.229 ( -3.834 13.758 -6.805) 15.820 4.834 ( -4.442 -10.377 4.384) 12.109 5.271 ( -0.942 -5.792 3.966) 7.083 8.045 ( 10.855 -1.485 0.567) 10.971 9.322 ( -14.145 22.806 3.272) 27.036 11.539 ( 7.282 -19.072 -7.558) 21.770 16.478 ( -25.645 12.570 -2.258) 28.649 19.187 ( 15.352 -3.394 0.287) 15.725 20.120 ( 6.472 0.450 1.528) 6.665 ======================= Grid point 340 (125/417) ======================= q-point: (-0.19 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.751 ( -19.510 -1.977 -1.178) 19.645 2.983 ( -17.677 2.587 -1.302) 17.913 3.753 ( -5.905 2.392 -0.921) 6.437 4.232 ( -7.367 8.731 -7.720) 13.788 4.646 ( -8.106 -10.725 7.052) 15.182 5.231 ( 0.579 -1.840 1.346) 2.353 8.143 ( 0.614 -0.990 0.409) 1.235 9.370 ( 1.133 10.252 0.924) 10.356 11.515 ( 7.184 -7.638 -3.257) 10.980 16.127 ( -25.527 5.302 -1.068) 26.094 19.363 ( 9.165 -1.260 -4.562) 10.315 20.238 ( 7.179 -0.658 2.005) 7.482 ======================= Grid point 341 (126/417) ======================= q-point: (-0.12 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.387 ( -22.872 1.067 -0.668) 22.907 2.678 ( -20.948 0.721 0.300) 20.963 3.638 ( -7.695 -1.154 -2.038) 8.044 4.055 ( -18.710 3.110 -4.766) 19.556 4.440 ( -11.051 -1.929 5.849) 12.651 5.279 ( 6.086 -0.543 -0.209) 6.114 8.057 ( -8.678 -0.755 0.423) 8.721 9.551 ( 14.878 -1.891 -2.051) 15.138 11.587 ( 4.020 3.101 -1.183) 5.213 15.750 ( -22.278 0.417 -0.693) 22.293 19.433 ( 3.000 0.385 -11.011) 11.419 20.365 ( 8.696 -2.049 4.932) 10.205 ======================= Grid point 342 (127/417) ======================= q-point: (-0.06 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.022 ( -24.250 4.764 0.105) 24.714 2.312 ( -23.691 0.035 1.771) 23.758 3.478 ( -7.142 -3.994 -2.747) 8.632 3.673 ( -28.796 4.331 -2.111) 29.197 4.280 ( -13.201 5.630 4.881) 15.159 5.401 ( 9.387 -1.353 -1.603) 9.618 7.889 ( -10.072 -0.372 -0.185) 10.081 9.780 ( 19.456 -8.862 -2.311) 21.504 11.654 ( -2.659 8.589 -6.212) 10.928 15.415 ( -16.549 -1.735 -0.586) 16.650 19.399 ( -2.822 2.528 -19.039) 19.412 20.538 ( 12.644 -3.905 13.285) 18.751 ======================= Grid point 348 (128/417) ======================= q-point: ( 0.31 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( -0.000 19.781 2.212) 19.905 2.070 ( -0.000 17.931 2.899) 18.164 3.355 ( 0.000 2.433 -1.003) 2.632 3.366 ( 0.000 23.035 -7.464) 24.214 4.376 ( -0.000 24.227 7.893) 25.480 5.414 ( 0.000 -6.311 -3.862) 7.399 7.940 ( -0.000 4.974 0.904) 5.055 9.703 ( 0.000 -15.221 0.155) 15.221 11.510 ( 0.000 5.268 -19.532) 20.230 15.158 ( 0.000 9.779 -0.748) 9.807 18.775 ( 0.000 19.929 -20.480) 28.576 21.157 ( -0.000 -29.354 13.464) 32.294 ======================= Grid point 349 (129/417) ======================= q-point: ( 0.38 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.063 ( 2.911 19.585 -0.515) 19.807 2.329 ( 9.619 16.129 2.798) 18.987 3.413 ( 3.681 3.755 -2.730) 5.925 3.552 ( 4.566 13.177 -7.416) 15.795 4.633 ( -0.110 22.905 7.325) 24.048 5.344 ( -1.464 -2.977 -2.044) 3.897 8.002 ( 1.935 5.484 -0.206) 5.819 9.546 ( 2.211 -22.447 -1.020) 22.579 11.473 ( -3.953 8.339 -13.586) 16.424 15.325 ( 7.767 11.996 -0.820) 14.315 18.889 ( 0.200 15.022 -17.654) 23.181 20.874 ( -6.503 -24.256 6.427) 25.922 ======================= Grid point 350 (130/417) ======================= q-point: ( 0.44 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.320 ( 6.795 18.592 -3.248) 20.060 2.680 ( 13.092 13.836 3.329) 19.337 3.493 ( 1.974 4.473 -6.168) 7.871 3.747 ( 11.339 5.589 -4.575) 13.444 4.833 ( -1.662 16.477 5.475) 17.442 5.306 ( -2.219 2.151 0.357) 3.111 8.105 ( 2.967 5.772 -0.153) 6.492 9.351 ( 1.569 -20.084 -4.170) 20.572 11.481 ( -0.058 6.159 -3.154) 6.920 15.634 ( 14.118 15.209 -1.437) 20.801 18.927 ( -3.010 8.901 -16.442) 18.938 20.543 ( -9.692 -18.015 0.630) 20.467 ======================= Grid point 351 (131/417) ======================= q-point: ( 0.50 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.617 ( 10.136 16.684 -5.085) 20.173 3.022 ( 11.609 11.291 4.058) 16.695 3.516 ( 0.578 1.583 -7.553) 7.739 3.999 ( 13.700 5.248 -3.678) 15.125 4.931 ( -2.095 8.115 4.796) 9.656 5.305 ( -3.381 5.293 1.772) 6.526 8.138 ( -2.858 -2.211 -0.803) 3.702 9.272 ( 5.057 -1.088 -4.401) 6.792 11.546 ( 4.221 -2.123 4.717) 6.676 16.068 ( 18.497 19.470 -1.316) 26.888 18.846 ( -6.684 2.252 -15.399) 16.938 20.236 ( -9.151 -11.579 -2.712) 15.006 ======================= Grid point 352 (132/417) ======================= q-point: ( 0.56 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.927 ( 11.410 13.491 -6.013) 18.664 3.293 ( 7.164 9.037 4.910) 12.534 3.511 ( 1.960 -0.711 -7.338) 7.629 4.247 ( 8.791 9.168 -4.819) 13.585 4.976 ( 0.423 1.522 6.189) 6.387 5.282 ( -4.929 2.484 1.700) 5.776 7.977 ( -6.915 -9.716 -1.587) 12.031 9.456 ( 5.148 20.096 -2.251) 20.867 11.575 ( 4.817 -13.103 6.264) 15.301 16.591 ( 18.418 24.794 -0.525) 30.891 18.660 ( -7.293 -5.522 -12.648) 15.609 20.021 ( -5.338 -5.669 -3.254) 8.440 ======================= Grid point 353 (133/417) ======================= q-point: ( 0.62 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.180 ( 7.625 7.875 -5.229) 12.145 3.456 ( 3.556 5.945 1.715) 7.136 3.544 ( 3.787 1.310 -3.989) 5.654 4.411 ( -0.706 14.213 -5.286) 15.180 5.026 ( 3.026 -1.876 5.798) 6.804 5.199 ( -3.927 -5.082 2.596) 6.928 7.788 ( -3.302 -8.482 -1.005) 9.157 9.736 ( -2.498 31.384 0.187) 31.483 11.480 ( 3.545 -23.665 2.085) 24.020 17.086 ( 6.805 30.415 -1.004) 31.184 18.467 ( 1.961 -14.256 -6.928) 15.971 19.931 ( -0.505 -1.533 -1.998) 2.568 ======================= Grid point 354 (134/417) ======================= q-point: (-0.31 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.264 ( -0.965 1.960 -1.827) 2.848 3.565 ( -0.323 2.335 -7.413) 7.779 3.606 ( 5.006 4.865 2.609) 7.452 4.473 ( -7.107 16.743 -3.553) 18.533 4.993 ( -6.643 -3.896 0.055) 7.701 5.156 ( 7.198 -10.379 6.804) 14.347 7.730 ( 4.402 -4.421 -0.219) 6.243 9.921 ( -14.644 33.068 2.847) 36.277 11.292 ( 6.019 -27.909 -3.294) 28.740 17.268 ( -17.918 25.246 -3.017) 31.105 18.508 ( 21.558 -13.539 -0.792) 25.469 19.948 ( 3.293 0.255 -0.609) 3.358 ======================= Grid point 355 (135/417) ======================= q-point: (-0.25 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.202 ( -7.237 0.267 0.179) 7.244 3.469 ( -10.362 2.169 -3.520) 11.157 3.743 ( 5.717 2.254 -2.395) 6.595 4.488 ( -9.268 16.614 -2.972) 19.255 4.815 ( -4.981 -11.364 2.784) 12.716 5.202 ( 4.432 -5.599 3.419) 7.917 7.838 ( 11.138 -1.460 -0.090) 11.233 9.854 ( -23.630 17.343 2.181) 29.392 11.210 ( 11.121 -14.286 -2.775) 18.316 17.029 ( -27.704 10.826 -1.686) 29.792 18.821 ( 23.657 -4.842 -1.364) 24.186 20.024 ( 5.404 0.158 -0.283) 5.414 ======================= Grid point 356 (136/417) ======================= q-point: (-0.19 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.031 ( -14.322 1.142 0.825) 14.391 3.263 ( -14.618 0.870 -2.075) 14.790 3.799 ( 0.266 0.144 -3.647) 3.659 4.438 ( -9.525 6.829 -4.203) 12.451 4.673 ( -3.329 -5.584 6.317) 9.065 5.213 ( 0.745 -1.864 0.828) 2.171 8.026 ( 11.132 -0.403 -0.476) 11.150 9.557 ( -17.476 -2.734 -1.414) 17.745 11.353 ( 10.107 4.790 2.546) 11.471 16.609 ( -28.466 1.370 -0.219) 28.499 19.122 ( 16.533 -1.086 -5.464) 17.447 20.117 ( 6.385 -0.940 -0.801) 6.503 ======================= Grid point 357 (137/417) ======================= q-point: (-0.12 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.771 ( -19.871 4.260 0.566) 20.330 2.994 ( -17.295 -1.083 -0.094) 17.329 3.719 ( -6.021 -3.612 -3.999) 8.081 4.294 ( -9.159 -0.891 -3.348) 9.792 4.616 ( -6.885 5.074 5.580) 10.212 5.215 ( 1.169 -0.175 -0.168) 1.194 8.133 ( 0.692 0.087 -0.483) 0.848 9.315 ( 1.158 -13.826 -4.283) 14.520 11.603 ( 5.672 15.024 5.071) 16.841 16.138 ( -26.157 -3.960 -0.050) 26.455 19.303 ( 8.969 0.437 -10.247) 13.624 20.214 ( 7.581 -2.356 -0.361) 7.947 ======================= Grid point 358 (138/417) ======================= q-point: (-0.06 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.474 ( -22.750 7.839 0.260) 24.064 2.674 ( -19.912 -1.364 1.578) 20.021 3.538 ( -7.344 -6.416 -3.213) 10.268 4.087 ( -16.304 3.627 -4.065) 17.190 4.558 ( -10.251 8.286 5.307) 14.210 5.260 ( 4.993 -0.933 -0.692) 5.127 8.051 ( -8.943 0.276 -0.860) 8.988 9.317 ( 17.794 -17.343 -5.245) 25.395 11.816 ( -1.668 17.853 1.599) 18.002 15.694 ( -21.046 -5.346 -0.337) 21.717 19.365 ( 2.604 1.778 -15.142) 15.467 20.333 ( 10.431 -4.114 3.469) 11.737 ======================= Grid point 365 (139/417) ======================= q-point: ( 0.38 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.231 ( 0.000 19.782 -1.021) 19.808 2.397 ( -0.000 14.593 1.835) 14.708 3.388 ( 0.000 1.770 -1.269) 2.178 3.599 ( 0.000 7.959 -8.829) 11.887 4.870 ( -0.000 19.830 5.065) 20.466 5.348 ( -0.000 2.632 0.095) 2.634 8.018 ( 0.000 3.714 -2.038) 4.237 9.284 ( 0.000 -26.388 -1.949) 26.460 11.540 ( 0.000 7.328 -10.856) 13.098 15.370 ( -0.000 12.017 0.190) 12.018 18.983 ( 0.000 14.388 -14.747) 20.603 20.721 ( -0.000 -21.229 2.205) 21.343 ======================= Grid point 366 (140/417) ======================= q-point: ( 0.44 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.422 ( 1.694 18.937 -2.786) 19.216 2.621 ( 9.411 12.609 2.340) 15.907 3.449 ( 4.931 2.021 -2.492) 5.883 3.640 ( 3.352 1.942 -6.595) 7.649 5.016 ( -1.751 10.857 2.029) 11.183 5.403 ( -1.845 10.545 2.526) 10.999 8.086 ( 4.315 4.090 -1.976) 6.265 9.047 ( 4.228 -26.263 -4.108) 26.917 11.557 ( -2.087 5.710 -3.872) 7.207 15.563 ( 9.079 12.572 -0.090) 15.508 19.036 ( -3.454 11.279 -13.133) 17.653 20.497 ( -4.928 -16.373 -1.378) 17.154 ======================= Grid point 367 (141/417) ======================= q-point: ( 0.50 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.639 ( 5.131 17.227 -4.251) 18.470 2.926 ( 12.419 9.576 3.332) 16.032 3.498 ( 0.460 0.146 -5.611) 5.631 3.777 ( 13.986 1.038 -2.045) 14.173 5.052 ( -2.896 4.833 1.326) 5.789 5.471 ( -5.067 12.073 2.513) 13.333 8.153 ( -0.916 -1.029 -1.412) 1.973 8.986 ( 16.563 -13.135 -4.773) 21.671 11.557 ( -2.312 1.471 3.474) 4.425 15.909 ( 17.728 13.576 -0.493) 22.334 18.982 ( -8.788 7.038 -12.170) 16.579 20.253 ( -7.177 -10.940 -3.430) 13.526 ======================= Grid point 368 (142/417) ======================= q-point: ( 0.56 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.886 ( 7.685 14.582 -4.639) 17.123 3.216 ( 11.698 6.122 4.178) 13.848 3.466 ( -0.219 -1.916 -4.921) 5.286 4.064 ( 17.435 3.640 -1.871) 17.909 5.035 ( -3.250 1.346 2.374) 4.244 5.462 ( -8.683 8.142 1.199) 11.963 8.008 ( -7.867 -8.494 -1.767) 11.712 9.315 ( 25.229 6.597 -3.416) 26.301 11.510 ( -3.991 -5.627 7.237) 9.998 16.402 ( 25.041 15.000 0.029) 29.190 18.796 ( -14.209 1.984 -10.544) 17.805 20.049 ( -5.995 -5.673 -3.482) 8.958 ======================= Grid point 369 (143/417) ======================= q-point: ( 0.62 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.123 ( 7.450 10.139 -3.572) 13.079 3.442 ( 2.594 -1.413 -5.790) 6.500 3.451 ( 8.150 3.655 6.070) 10.799 4.381 ( 14.794 7.153 -3.311) 16.762 4.992 ( -2.111 -2.928 4.311) 5.622 5.347 ( -11.671 2.837 -0.071) 12.011 7.794 ( -6.907 -7.102 -1.141) 9.972 9.829 ( 21.678 18.437 -2.520) 28.570 11.338 ( -8.131 -14.907 6.070) 18.033 17.008 ( 28.597 17.067 1.016) 33.318 18.490 ( -17.396 -4.201 -7.379) 19.357 19.933 ( -2.568 -1.640 -2.125) 3.715 ======================= Grid point 370 (144/417) ======================= q-point: ( 0.69 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.270 ( 2.573 3.538 -0.047) 4.375 3.485 ( 5.272 1.821 -7.138) 9.059 3.609 ( 4.741 1.875 5.379) 7.412 4.639 ( 5.444 12.633 -5.017) 14.643 4.958 ( 4.055 -9.802 6.647) 12.518 5.140 ( -13.412 -1.206 -1.093) 13.511 7.668 ( -1.597 -3.049 -0.343) 3.459 10.326 ( 10.290 28.766 -0.653) 30.558 10.996 ( -9.211 -26.919 1.722) 28.503 17.630 ( 17.822 24.509 1.016) 30.321 18.123 ( -9.150 -16.579 -3.421) 19.243 19.912 ( 0.920 0.292 -0.690) 1.186 ======================= Grid point 371 (145/417) ======================= q-point: (-0.25 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.293 ( -2.376 1.347 2.383) 3.625 3.546 ( 1.267 0.713 -8.058) 8.188 3.690 ( 2.454 1.314 4.183) 5.025 4.744 ( -3.289 8.636 -0.627) 9.263 4.851 ( -11.905 -6.819 -0.074) 13.720 5.048 ( 8.149 -3.567 1.543) 9.028 7.686 ( 5.418 0.117 -0.155) 5.422 10.374 ( -27.061 -3.797 -0.553) 27.332 10.890 ( 18.776 3.756 1.046) 19.176 17.569 ( -28.643 2.052 0.578) 28.722 18.323 ( 31.015 -0.082 -1.840) 31.069 19.951 ( 3.283 0.337 -0.353) 3.319 ======================= Grid point 372 (146/417) ======================= q-point: (-0.19 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.237 ( -7.619 1.945 3.431) 8.579 3.455 ( -8.856 -0.957 -4.520) 9.989 3.758 ( 3.109 0.533 -1.268) 3.399 4.549 ( -8.727 -14.660 1.579) 17.134 4.785 ( -5.352 11.665 1.179) 12.889 5.156 ( 5.422 0.234 -0.954) 5.510 7.831 ( 10.719 1.123 -0.713) 10.802 9.800 ( -23.629 -20.417 -2.872) 31.359 11.297 ( 12.602 20.000 5.407) 24.249 17.065 ( -28.336 -7.680 1.737) 29.410 18.781 ( 22.384 3.563 -5.246) 23.265 20.013 ( 4.529 -0.653 -1.310) 4.759 ======================= Grid point 373 (147/417) ======================= q-point: (-0.12 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.102 ( -13.207 3.750 3.550) 14.181 3.236 ( -14.189 -1.154 -2.554) 14.463 3.747 ( -3.143 -3.068 -4.044) 5.970 4.321 ( -3.153 -10.943 0.551) 11.402 4.808 ( -5.275 9.484 2.962) 11.249 5.216 ( 0.743 2.558 -1.296) 2.963 8.025 ( 10.722 0.888 -1.382) 10.848 9.248 ( -14.843 -23.128 -3.771) 27.739 11.701 ( 7.976 23.399 7.869) 25.943 16.515 ( -27.001 -11.364 1.285) 29.323 19.089 ( 14.068 2.892 -9.031) 16.966 20.077 ( 5.511 -1.874 -2.479) 6.326 ======================= Grid point 374 (148/417) ======================= q-point: (-0.06 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.903 ( -17.500 6.077 3.023) 18.770 2.962 ( -17.374 0.621 -1.211) 17.427 3.580 ( -7.397 -7.713 -3.239) 11.167 4.226 ( -1.882 -2.539 -3.439) 4.671 4.804 ( -7.174 8.567 3.703) 11.772 5.233 ( -0.824 2.534 -0.097) 2.666 8.139 ( 0.535 1.050 -1.368) 1.805 8.907 ( 3.888 -22.299 -5.158) 23.216 12.033 ( 1.390 22.734 6.429) 23.667 15.988 ( -23.093 -10.876 0.258) 25.527 19.251 ( 7.345 2.092 -12.338) 14.510 20.150 ( 7.384 -3.223 -1.967) 8.293 ======================= Grid point 382 (149/417) ======================= q-point: ( 0.44 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.592 ( 0.000 19.026 -2.227) 19.156 2.651 ( -0.000 10.643 1.478) 10.745 3.405 ( 0.000 0.869 -1.350) 1.606 3.598 ( 0.000 -1.787 -5.654) 5.930 5.105 ( -0.000 4.975 0.060) 4.975 5.562 ( -0.000 15.230 3.164) 15.556 8.063 ( 0.000 2.805 -2.762) 3.937 8.737 ( 0.000 -26.570 -4.513) 26.951 11.612 ( 0.000 3.922 -1.454) 4.183 15.597 ( -0.000 10.887 0.426) 10.895 19.137 ( 0.000 10.660 -10.518) 14.975 20.390 ( 0.000 -12.768 -2.924) 13.098 ======================= Grid point 383 (150/417) ======================= q-point: ( 0.50 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.736 ( 1.009 14.581 -2.211) 14.782 2.851 ( 8.243 10.861 1.802) 13.753 3.452 ( 3.346 -0.301 -2.542) 4.212 3.587 ( 6.036 -3.095 -2.005) 7.074 5.127 ( -1.621 2.831 -0.102) 3.263 5.680 ( -3.696 13.010 1.891) 13.657 8.131 ( 3.368 1.599 -1.792) 4.136 8.557 ( 10.890 -19.723 -4.596) 22.993 11.624 ( -1.997 1.550 2.936) 3.874 15.780 ( 10.271 9.490 0.141) 13.985 19.151 ( -5.835 8.362 -8.688) 13.395 20.242 ( -4.008 -8.402 -3.587) 9.976 ======================= Grid point 384 (151/417) ======================= q-point: ( 0.56 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.906 ( 4.838 12.141 -2.418) 13.291 3.099 ( 9.812 6.905 2.934) 12.352 3.432 ( -0.290 -4.007 -1.853) 4.424 3.783 ( 17.159 0.517 -0.475) 17.173 5.107 ( -3.133 1.268 0.261) 3.390 5.689 ( -7.967 8.137 0.244) 11.390 8.056 ( -6.828 -6.035 -1.721) 9.274 8.821 ( 31.869 -2.183 -2.890) 32.074 11.585 ( -5.034 -1.694 6.056) 8.055 16.120 ( 20.607 7.988 0.204) 22.102 19.039 ( -12.664 5.528 -6.720) 15.366 20.088 ( -5.576 -4.084 -2.996) 7.533 ======================= Grid point 385 (152/417) ======================= q-point: ( 0.62 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.100 ( 6.351 9.131 -1.154) 11.182 3.308 ( 8.704 1.078 0.517) 8.786 3.403 ( 2.279 -2.282 2.305) 3.964 4.109 ( 20.199 1.819 -0.879) 20.299 5.048 ( -4.553 -0.613 0.757) 4.656 5.576 ( -11.694 3.078 -1.170) 12.149 7.869 ( -8.467 -3.647 -0.905) 9.263 9.414 ( 36.640 4.555 -2.350) 36.997 11.444 ( -10.927 -5.216 5.608) 13.344 16.608 ( 29.703 5.504 0.862) 30.221 18.796 ( -19.253 3.315 -3.595) 19.864 19.974 ( -4.338 -0.561 -1.391) 4.590 ======================= Grid point 386 (153/417) ======================= q-point: (-0.31 -0.56 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.254 ( 4.045 3.040 2.911) 5.838 3.382 ( 5.436 -0.760 -5.985) 8.121 3.524 ( 7.697 0.143 6.794) 10.267 4.458 ( 19.548 2.013 -1.224) 19.689 4.950 ( -5.745 -2.721 1.087) 6.449 5.367 ( -14.010 -0.222 -2.140) 14.174 7.725 ( -6.515 0.686 0.035) 6.551 10.036 ( 33.260 2.085 -1.498) 33.359 11.157 ( -18.677 -4.218 1.778) 19.230 17.182 ( 34.991 -0.899 0.720) 35.010 18.461 ( -24.234 4.645 0.764) 24.687 19.925 ( -1.892 1.286 0.271) 2.303 ======================= Grid point 387 (154/417) ======================= q-point: (-0.25 -0.56 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.322 ( 1.754 -0.169 4.963) 5.266 3.454 ( 5.231 -0.487 -6.863) 8.643 3.651 ( 5.157 -1.075 6.149) 8.097 4.745 ( 10.476 -10.253 4.295) 15.275 4.832 ( -1.307 5.048 -4.644) 6.983 5.127 ( -12.979 1.120 -2.144) 13.202 7.676 ( -1.954 3.876 0.450) 4.364 10.344 ( 7.119 -29.310 1.106) 30.183 10.952 ( -4.684 25.013 -2.516) 25.572 17.604 ( 19.023 -23.020 -1.463) 29.899 18.210 ( -11.999 20.998 4.814) 24.659 19.929 ( 0.251 1.372 0.955) 1.691 ======================= Grid point 388 (155/417) ======================= q-point: (-0.19 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.342 ( -2.026 0.080 5.704) 6.054 3.476 ( 1.704 -2.649 -7.107) 7.774 3.717 ( 2.475 -1.001 4.283) 5.047 4.543 ( -8.658 -16.411 2.412) 18.711 4.986 ( -5.571 3.021 -0.205) 6.341 5.042 ( 8.554 8.156 -3.736) 12.396 7.734 ( 3.511 4.775 0.112) 5.928 9.880 ( -17.117 -32.582 -1.095) 36.821 11.339 ( 12.153 27.940 1.247) 30.494 17.317 ( -15.652 -24.297 1.492) 28.941 18.517 ( 15.308 16.258 0.120) 22.331 19.957 ( 1.638 0.415 0.246) 1.707 ======================= Grid point 389 (156/417) ======================= q-point: (-0.12 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.275 ( -6.402 -3.148 4.161) 8.259 3.412 ( -6.092 1.378 -3.796) 7.310 3.747 ( 0.059 -0.655 -0.411) 0.776 4.254 ( -5.846 -16.291 1.483) 17.372 4.961 ( -3.072 4.928 1.519) 6.002 5.212 ( 4.329 6.736 -2.572) 8.410 7.871 ( 7.879 3.486 -0.784) 8.651 9.276 ( -18.137 -28.763 -1.730) 34.048 11.808 ( 11.206 26.256 4.694) 28.931 16.779 ( -21.815 -21.884 1.708) 30.947 18.879 ( 13.631 9.225 -4.311) 17.014 19.989 ( 2.623 -0.684 -1.327) 3.018 ======================= Grid point 390 (157/417) ======================= q-point: (-0.06 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.112 ( -9.544 -4.339 2.209) 10.714 3.291 ( -12.171 7.115 -1.008) 14.135 3.636 ( -9.336 -5.096 -2.144) 10.850 4.125 ( 4.736 -8.999 -1.769) 10.322 4.965 ( -3.240 4.774 2.194) 6.173 5.298 ( -0.633 6.215 -0.387) 6.259 8.039 ( 9.422 1.472 -1.685) 9.684 8.762 ( -11.968 -23.250 -2.337) 26.254 12.218 ( 6.317 23.722 5.486) 25.154 16.225 ( -21.197 -18.185 0.612) 27.935 19.109 ( 8.616 4.821 -7.679) 12.508 20.024 ( 3.861 -1.603 -2.541) 4.892 ======================= Grid point 399 (158/417) ======================= q-point: ( 0.50 0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.818 ( -0.000 5.639 1.288) 5.784 2.923 ( -0.000 16.181 -0.376) 16.186 3.407 ( 0.000 0.316 -1.117) 1.161 3.494 ( 0.000 -6.226 -0.669) 6.262 5.162 ( 0.000 1.889 -0.452) 1.943 5.828 ( -0.000 9.637 0.406) 9.645 8.095 ( 0.000 2.015 -1.285) 2.390 8.283 ( 0.000 -16.252 -3.519) 16.629 11.663 ( -0.000 0.405 4.601) 4.618 15.769 ( -0.000 6.377 0.037) 6.377 19.253 ( 0.000 7.167 -5.937) 9.307 20.200 ( 0.000 -4.901 -3.192) 5.848 ======================= Grid point 400 (159/417) ======================= q-point: ( 0.56 0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.900 ( 4.377 3.578 0.644) 5.690 3.090 ( 3.166 10.873 2.208) 11.538 3.393 ( -0.680 -4.257 0.236) 4.317 3.537 ( 11.269 -1.128 0.180) 11.327 5.159 ( -1.789 0.851 -0.529) 2.051 5.857 ( -4.591 4.532 -1.215) 6.565 8.101 ( -3.947 -2.641 -1.252) 4.911 8.320 ( 21.691 -2.853 -1.146) 21.908 11.658 ( -2.707 -1.057 6.487) 7.108 15.907 ( 11.151 3.458 -0.085) 11.675 19.240 ( -6.841 5.133 -3.453) 9.223 20.130 ( -3.527 -1.349 -2.136) 4.339 ======================= Grid point 401 (160/417) ======================= q-point: (-0.38 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.033 ( 8.114 1.550 1.000) 8.321 3.213 ( 3.896 -1.749 2.527) 4.962 3.374 ( 0.912 2.100 3.172) 3.911 3.789 ( 18.364 0.242 -0.080) 18.366 5.115 ( -3.625 -0.309 -0.639) 3.694 5.757 ( -8.776 -0.523 -2.566) 9.158 7.989 ( -7.438 1.039 -0.380) 7.520 8.810 ( 35.760 1.312 -0.658) 35.790 11.582 ( -7.387 -2.511 5.904) 9.784 16.200 ( 21.873 -0.064 0.487) 21.879 19.104 ( -13.587 3.684 -0.230) 14.079 20.055 ( -4.943 1.651 -0.461) 5.232 ======================= Grid point 402 (161/417) ======================= q-point: (-0.31 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.176 ( 6.989 -4.686 6.132) 10.412 3.239 ( 7.008 -4.126 -3.874) 9.008 3.471 ( 3.042 4.746 6.562) 8.651 4.118 ( 20.777 -0.480 0.049) 20.782 5.029 ( -5.396 -1.282 -1.174) 5.669 5.554 ( -11.418 -3.790 -3.356) 12.490 7.884 ( -8.556 5.222 0.551) 10.039 9.432 ( 36.846 -1.721 -0.721) 36.893 11.403 ( -12.790 -1.265 1.815) 12.980 16.610 ( 29.382 -5.848 1.088) 29.978 18.877 ( -18.542 4.699 4.080) 19.559 20.002 ( -4.363 3.374 1.286) 5.664 ======================= Grid point 403 (162/417) ======================= q-point: (-0.25 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.220 ( 6.957 -8.703 4.411) 11.984 3.341 ( 6.672 -1.951 -2.665) 7.444 3.585 ( 3.920 1.916 7.470) 8.651 4.435 ( 18.186 -4.235 1.847) 18.764 4.908 ( -6.110 -1.167 -3.750) 7.263 5.315 ( -10.993 -2.888 -3.041) 11.765 7.818 ( -7.193 8.057 1.113) 10.858 9.869 ( 21.783 -17.135 1.244) 27.743 11.230 ( -8.468 10.888 -4.077) 14.383 16.999 ( 27.341 -16.838 0.139) 32.111 18.655 ( -17.490 10.756 8.358) 22.169 19.981 ( -3.101 3.470 2.333) 5.206 ======================= Grid point 404 (163/417) ======================= q-point: (-0.19 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.291 ( 8.690 -6.502 2.961) 11.250 3.371 ( 2.004 -5.411 -1.729) 6.023 3.678 ( 3.052 -0.086 6.436) 7.124 4.515 ( -2.349 -14.263 4.316) 15.086 4.883 ( 6.742 2.736 -7.368) 10.355 5.162 ( -5.658 3.312 -1.241) 6.673 7.811 ( -3.999 9.089 1.207) 10.003 9.751 ( -5.211 -31.533 1.730) 32.007 11.406 ( 9.409 23.599 -5.027) 25.898 17.090 ( 8.749 -28.730 -0.641) 30.039 18.633 ( -4.402 17.461 8.748) 20.020 19.976 ( -1.933 2.434 2.259) 3.842 ======================= Grid point 405 (164/417) ======================= q-point: (-0.12 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.300 ( -2.006 -7.777 0.580) 8.053 3.388 ( 6.985 -3.438 -0.464) 7.799 3.724 ( 1.846 -1.597 4.096) 4.768 4.254 ( -10.599 -13.571 1.367) 17.274 4.982 ( 3.612 0.166 -2.538) 4.417 5.204 ( 3.652 7.531 -1.179) 8.453 7.863 ( -0.322 8.077 0.807) 8.123 9.264 ( -14.819 -30.537 0.744) 33.951 11.842 ( 14.710 24.108 -1.911) 28.306 16.787 ( -8.469 -29.914 0.102) 31.090 18.835 ( 4.983 14.414 4.399) 15.872 19.976 ( -0.886 1.211 1.276) 1.970 ======================= Grid point 406 (165/417) ======================= q-point: (-0.06 0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1032 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.174 ( -4.078 -7.064 -0.000) 8.157 3.416 ( -1.104 -1.912 0.000) 2.208 3.753 ( 0.270 0.468 0.000) 0.541 3.980 ( -6.282 -10.881 -0.000) 12.565 5.018 ( 0.781 1.353 0.000) 1.563 5.337 ( 3.442 5.962 -0.000) 6.884 7.951 ( 2.916 5.051 -0.000) 5.832 8.757 ( -13.683 -23.700 -0.000) 27.367 12.291 ( 12.397 21.473 0.000) 24.795 16.319 ( -14.391 -24.925 -0.000) 28.781 19.042 ( 5.003 8.665 -0.000) 10.006 19.980 ( 0.223 0.386 -0.000) 0.446 ======================= Grid point 417 (166/417) ======================= q-point: (-0.44 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.875 ( -0.000 -0.550 0.915) 1.068 3.147 ( -0.000 1.042 4.691) 4.806 3.408 ( 0.000 0.518 -0.568) 0.769 3.408 ( -0.000 0.878 2.893) 3.024 5.176 ( 0.000 0.027 -0.883) 0.883 5.908 ( 0.000 -0.642 -2.784) 2.857 8.122 ( -0.000 0.865 1.112) 1.408 8.124 ( 0.000 1.769 -0.552) 1.853 11.695 ( -0.000 -1.302 8.128) 8.232 15.828 ( 0.000 -0.111 -0.577) 0.587 19.329 ( 0.000 3.120 -0.849) 3.234 20.157 ( 0.000 1.674 -1.079) 1.991 ======================= Grid point 418 (167/417) ======================= q-point: (-0.38 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.906 ( 5.666 -3.251 0.994) 6.608 3.119 ( 1.404 -11.175 4.988) 12.318 3.432 ( 0.712 6.211 3.752) 7.291 3.548 ( 10.207 2.710 1.733) 10.702 5.152 ( -1.920 -0.909 -1.207) 2.443 5.827 ( -4.473 -5.728 -4.090) 8.340 8.117 ( -3.926 4.365 0.368) 5.883 8.350 ( 21.105 5.749 1.635) 21.935 11.678 ( -3.930 -1.926 8.354) 9.431 15.904 ( 11.460 -3.568 -0.349) 12.007 19.297 ( -6.372 1.313 2.056) 6.823 20.155 ( -3.388 4.357 0.169) 5.522 ======================= Grid point 419 (168/417) ======================= q-point: (-0.31 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.996 ( 8.616 -7.902 4.740) 12.615 3.056 ( 5.194 -11.353 0.323) 12.489 3.528 ( 0.826 6.000 7.027) 9.277 3.798 ( 16.718 0.875 1.342) 16.794 5.087 ( -3.854 -1.859 -1.863) 4.667 5.638 ( -7.511 -8.963 -4.743) 12.619 8.083 ( -6.787 6.931 0.811) 9.734 8.861 ( 30.990 4.755 0.805) 31.363 11.575 ( -8.790 -1.939 5.125) 10.358 16.126 ( 21.103 -7.855 0.819) 22.532 19.171 ( -11.304 1.170 5.929) 12.818 20.135 ( -5.241 6.142 1.426) 8.199 ======================= Grid point 420 (169/417) ======================= q-point: (-0.25 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.998 ( 7.313 -14.943 5.070) 17.392 3.146 ( 10.848 -6.061 -1.324) 12.497 3.611 ( 0.638 3.354 8.553) 9.209 4.101 ( 18.620 -1.630 1.945) 18.792 4.973 ( -5.695 -3.469 -3.831) 7.691 5.406 ( -7.670 -7.924 -4.089) 11.762 8.038 ( -7.689 8.589 1.076) 11.578 9.362 ( 25.251 -4.311 1.007) 25.636 11.422 ( -8.494 2.813 -0.974) 9.001 16.416 ( 24.586 -14.591 1.438) 28.626 19.014 ( -12.922 4.116 10.207) 16.973 20.111 ( -5.720 6.432 2.298) 8.909 ======================= Grid point 421 (170/417) ======================= q-point: (-0.19 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.029 ( 11.249 -13.147 2.656) 17.505 3.226 ( 7.173 -9.027 -0.408) 11.537 3.673 ( 1.170 0.537 8.098) 8.199 4.344 ( 11.442 -6.936 4.741) 14.195 4.830 ( -2.654 -3.265 -8.134) 9.158 5.243 ( -4.320 -2.184 -1.979) 5.229 8.008 ( -6.661 9.472 1.340) 11.657 9.510 ( 4.008 -19.172 2.884) 19.798 11.444 ( 4.879 13.818 -6.127) 15.884 16.602 ( 17.626 -23.728 0.526) 29.563 18.928 ( -9.007 9.548 12.806) 18.338 20.083 ( -5.428 5.334 2.618) 8.048 ======================= Grid point 422 (171/417) ======================= q-point: (-0.12 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.131 ( 13.321 -10.096 -1.236) 16.760 3.208 ( 3.404 -11.607 1.799) 12.229 3.698 ( 0.209 -3.880 5.737) 6.929 4.304 ( -5.730 -9.148 3.639) 11.391 4.857 ( 8.486 -0.140 -6.300) 10.570 5.212 ( 1.002 2.127 -0.560) 2.417 8.010 ( -4.757 9.625 1.612) 10.857 9.213 ( -11.903 -25.069 3.162) 27.932 11.774 ( 16.034 18.769 -6.438) 25.511 16.524 ( 4.205 -29.474 -0.358) 29.774 18.984 ( -2.571 12.194 11.484) 16.946 20.052 ( -4.570 3.736 2.626) 6.460 ======================= Grid point 434 (172/417) ======================= q-point: (-0.38 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.810 ( -0.000 -6.567 0.552) 6.591 2.993 ( -0.000 -16.361 6.011) 17.430 3.417 ( 0.000 0.472 -0.120) 0.487 3.587 ( -0.000 9.070 8.507) 12.435 5.151 ( 0.000 -1.750 -1.612) 2.379 5.768 ( 0.000 -10.776 -5.372) 12.041 8.137 ( -0.000 -0.895 2.717) 2.860 8.332 ( -0.000 18.589 1.113) 18.623 11.727 ( -0.000 -1.865 10.722) 10.883 15.758 ( 0.000 -6.448 -0.959) 6.519 19.359 ( -0.000 -1.223 4.198) 4.373 20.240 ( -0.000 6.843 0.413) 6.855 ======================= Grid point 435 (173/417) ======================= q-point: (-0.31 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.794 ( 6.440 -9.431 1.724) 11.549 2.860 ( 2.453 -17.702 4.159) 18.349 3.491 ( 7.654 -0.149 0.688) 7.687 3.706 ( 1.787 6.426 9.944) 11.974 5.106 ( -2.061 -3.098 -2.338) 4.394 5.600 ( -3.294 -13.489 -5.839) 15.064 8.167 ( 2.013 -0.975 1.670) 2.791 8.620 ( 11.182 20.881 1.416) 23.729 11.699 ( -5.480 -2.254 10.032) 11.651 15.776 ( 11.209 -9.282 -0.237) 14.555 19.316 ( -4.692 -2.558 7.196) 8.963 20.286 ( -3.517 8.735 0.382) 9.424 ======================= Grid point 436 (174/417) ======================= q-point: (-0.25 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.745 ( 5.415 -18.972 5.459) 20.471 2.876 ( 11.588 -9.781 -0.943) 15.193 3.617 ( 5.507 -1.033 4.361) 7.101 3.861 ( 9.505 1.873 7.404) 12.193 4.996 ( -4.384 -7.127 -4.422) 9.464 5.397 ( -4.067 -10.302 -4.465) 11.942 8.173 ( -1.218 0.275 0.446) 1.326 9.049 ( 16.517 14.776 1.276) 22.198 11.578 ( -8.928 -1.432 5.456) 10.560 15.928 ( 18.668 -13.093 1.302) 22.839 19.224 ( -6.915 -1.538 11.075) 13.147 20.294 ( -6.133 9.449 0.128) 11.265 ======================= Grid point 437 (175/417) ======================= q-point: (-0.19 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.710 ( 10.136 -17.737 3.443) 20.717 2.968 ( 11.279 -11.833 -0.740) 16.364 3.672 ( 1.725 -2.807 6.883) 7.631 4.089 ( 14.308 -2.938 5.659) 15.664 4.805 ( -4.345 -10.710 -7.656) 13.864 5.265 ( -2.944 -2.990 -1.953) 4.628 8.147 ( -2.118 0.732 0.050) 2.242 9.349 ( 5.394 3.130 2.834) 6.850 11.488 ( -1.679 4.388 -0.820) 4.769 16.099 ( 18.153 -18.957 1.642) 26.298 19.158 ( -5.961 2.194 14.432) 15.768 20.266 ( -7.606 8.599 -0.100) 11.480 ======================= Grid point 438 (176/417) ======================= q-point: (-0.12 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.769 ( 14.899 -15.171 1.278) 21.302 2.996 ( 7.441 -14.492 -0.666) 16.304 3.670 ( 0.083 -6.120 5.721) 8.378 4.242 ( 6.180 -8.065 6.329) 11.970 4.691 ( 5.488 -4.589 -8.511) 11.118 5.218 ( -1.132 0.545 -0.646) 1.413 8.128 ( -0.934 0.859 0.527) 1.374 9.268 ( -13.098 -6.899 4.921) 15.600 11.653 ( 12.815 11.613 -4.951) 17.989 16.134 ( 10.371 -24.721 0.653) 26.816 19.174 ( -3.137 6.291 15.009) 16.574 20.211 ( -7.694 6.680 0.379) 10.197 ======================= Grid point 451 (177/417) ======================= q-point: (-0.31 -0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.639 ( 0.000 -11.529 0.302) 11.533 2.669 ( -0.000 -20.874 5.239) 21.521 3.418 ( 0.000 -0.419 -0.089) 0.428 3.784 ( -0.000 3.026 12.143) 12.514 5.071 ( 0.000 -6.761 -3.578) 7.650 5.470 ( 0.000 -13.523 -5.542) 14.614 8.116 ( -0.000 -3.211 2.315) 3.958 8.786 ( -0.000 26.598 0.319) 26.600 11.766 ( -0.000 -2.389 13.139) 13.354 15.585 ( 0.000 -10.545 -0.760) 10.572 19.341 ( -0.000 -5.181 9.118) 10.487 20.409 ( 0.000 10.784 -1.535) 10.892 ======================= Grid point 452 (178/417) ======================= q-point: (-0.25 -0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.500 ( 2.696 -21.567 4.709) 22.240 2.592 ( 8.275 -13.323 -0.377) 15.688 3.475 ( 7.248 -1.606 0.115) 7.425 3.835 ( 1.083 -2.137 11.997) 12.234 4.930 ( -2.223 -15.497 -6.384) 16.908 5.348 ( -1.486 -5.197 -2.820) 6.097 8.114 ( 2.835 -5.144 0.663) 5.911 9.089 ( 5.403 25.748 0.117) 26.309 11.724 ( -7.100 -2.813 11.836) 14.086 15.567 ( 10.410 -11.982 0.307) 15.876 19.299 ( -2.206 -5.829 12.279) 13.771 20.477 ( -3.903 11.933 -3.818) 13.123 ======================= Grid point 453 (179/417) ======================= q-point: (-0.19 -0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.390 ( 7.350 -20.931 3.343) 22.435 2.636 ( 12.553 -14.788 -0.750) 19.412 3.581 ( 6.725 -4.137 2.086) 8.167 3.887 ( 7.384 -7.079 9.160) 13.731 4.692 ( -2.123 -18.830 -8.050) 20.588 5.297 ( -2.546 1.713 -0.610) 3.129 8.097 ( 2.345 -7.067 -0.914) 7.502 9.407 ( 3.820 20.124 1.221) 20.520 11.591 ( -7.924 -1.625 7.187) 10.821 15.665 ( 14.982 -14.780 1.534) 21.101 19.262 ( -1.744 -3.744 15.832) 16.362 20.480 ( -7.292 11.548 -5.766) 14.825 ======================= Grid point 454 (180/417) ======================= q-point: (-0.12 -0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.376 ( 13.098 -18.775 1.672) 22.953 2.685 ( 11.290 -17.021 -1.150) 20.457 3.607 ( 1.918 -7.144 4.133) 8.474 3.999 ( 12.698 -12.565 6.042) 18.858 4.513 ( 3.766 -11.961 -8.112) 14.935 5.277 ( -3.490 4.137 0.346) 5.423 8.063 ( 2.998 -7.972 -0.733) 8.548 9.522 ( -10.727 11.410 3.698) 16.092 11.571 ( 4.462 3.730 2.038) 6.163 15.740 ( 11.847 -18.944 1.314) 22.382 19.287 ( -0.010 0.200 17.410) 17.411 20.423 ( -9.175 9.575 -6.088) 14.592 ======================= Grid point 468 (181/417) ======================= q-point: (-0.25 -0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( -0.000 -22.994 3.469) 23.255 2.376 ( 0.000 -15.907 -0.177) 15.908 3.398 ( 0.000 -1.494 -0.345) 1.534 3.810 ( -0.000 -10.019 11.235) 15.053 4.734 ( 0.000 -22.810 -7.811) 24.111 5.343 ( 0.000 2.458 -0.510) 2.510 8.039 ( 0.000 -5.738 -0.102) 5.739 9.295 ( -0.000 25.511 -0.586) 25.518 11.807 ( -0.000 -3.042 14.263) 14.584 15.368 ( 0.000 -11.193 0.066) 11.193 19.289 ( -0.000 -8.339 14.922) 17.094 20.613 ( 0.000 13.697 -8.649) 16.199 ======================= Grid point 469 (182/417) ======================= q-point: (-0.19 -0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( 3.892 -23.105 2.454) 23.559 2.292 ( 8.976 -17.654 -0.765) 19.819 3.434 ( 6.040 -2.552 -0.215) 6.560 3.724 ( 2.637 -18.185 8.389) 20.199 4.479 ( -0.245 -22.781 -7.074) 23.855 5.376 ( -1.794 6.524 0.885) 6.824 7.986 ( 1.276 -7.632 -1.733) 7.930 9.558 ( 3.465 22.456 0.284) 22.724 11.745 ( -8.405 -3.454 12.095) 15.129 15.344 ( 8.821 -11.244 0.974) 14.324 19.266 ( 0.730 -8.171 18.765) 20.480 20.673 ( -4.589 14.040 -13.237) 19.834 ======================= Grid point 470 (183/417) ======================= q-point: (-0.12 -0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( 9.779 -21.615 1.249) 23.758 2.302 ( 12.861 -19.331 -1.307) 23.255 3.500 ( 4.574 -5.703 1.804) 7.530 3.647 ( 10.838 -23.112 3.791) 25.807 4.287 ( 3.675 -16.467 -5.600) 17.777 5.403 ( -3.939 7.882 1.517) 8.941 7.924 ( 2.250 -9.275 -1.893) 9.730 9.788 ( -1.946 17.975 1.547) 18.146 11.609 ( -5.866 -2.213 8.851) 10.846 15.403 ( 10.426 -13.117 1.298) 16.807 19.300 ( 3.040 -5.061 21.314) 22.117 20.641 ( -8.478 12.274 -15.686) 21.646 ======================= Grid point 485 (184/417) ======================= q-point: (-0.19 -0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( -0.000 -24.209 1.201) 24.239 2.028 ( 0.000 -20.059 -1.119) 20.090 3.358 ( 0.000 -2.193 -0.690) 2.299 3.492 ( -0.000 -29.417 4.134) 29.706 4.247 ( 0.000 -21.362 -3.906) 21.716 5.473 ( -0.000 9.092 1.807) 9.270 7.897 ( 0.000 -7.696 -3.161) 8.320 9.728 ( -0.000 18.966 2.164) 19.090 11.832 ( -0.000 -3.521 10.983) 11.533 15.178 ( -0.000 -8.758 1.091) 8.826 19.234 ( -0.000 -10.425 23.866) 26.043 20.799 ( 0.000 15.550 -21.095) 26.207 ======================= Grid point 486 (185/417) ======================= q-point: (-0.12 -0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( 5.487 -23.807 0.189) 24.431 1.907 ( 9.560 -21.659 -1.662) 23.733 3.228 ( 6.423 -35.296 0.631) 35.881 3.379 ( 4.696 -2.979 -0.381) 5.574 4.061 ( 1.924 -17.924 -1.586) 18.097 5.551 ( -2.534 9.710 2.084) 10.250 7.810 ( 0.339 -8.551 -3.573) 9.274 9.939 ( 3.316 15.762 4.290) 16.669 11.744 ( -8.623 -3.948 7.802) 12.280 15.164 ( 6.341 -8.103 1.328) 10.374 19.253 ( 3.541 -9.153 28.687) 30.320 20.819 ( -5.520 14.711 -26.957) 31.202 ======================= Grid point 502 (186/417) ======================= q-point: (-0.12 -0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( 0.000 -24.849 -0.993) 24.869 1.596 ( 0.000 -23.879 -2.254) 23.985 2.790 ( 0.000 -42.446 -1.885) 42.487 3.309 ( 0.000 -2.281 -0.954) 2.473 3.873 ( -0.000 -17.767 1.120) 17.803 5.675 ( -0.000 9.913 2.041) 10.120 7.716 ( 0.000 -8.056 -4.853) 9.405 10.056 ( -0.000 11.364 10.690) 15.602 11.803 ( -0.000 -3.895 0.383) 3.914 15.055 ( -0.000 -5.037 1.618) 5.291 19.232 ( -0.000 -10.709 38.342) 39.810 20.907 ( 0.000 15.616 -37.657) 40.767 ======================= Grid point 555 (187/417) ======================= q-point: ( 0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 417 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.484 ( -0.000 0.000 22.793) 22.793 0.484 ( -0.000 0.000 22.793) 22.793 0.775 ( -0.000 0.000 37.484) 37.484 3.212 ( 0.000 -0.000 -1.226) 1.226 3.212 ( 0.000 -0.000 -1.226) 1.226 5.959 ( 0.000 -0.000 -6.050) 6.050 7.479 ( -0.000 0.000 6.581) 6.581 7.479 ( -0.000 0.000 6.581) 6.581 13.722 ( 0.000 -0.000 -0.042) 0.042 14.953 ( 0.000 -0.000 -2.371) 2.371 14.953 ( 0.000 -0.000 -2.371) 2.371 24.394 ( -0.000 0.000 0.516) 0.516 ======================= Grid point 556 (188/417) ======================= q-point: ( 0.19 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.752 ( 16.429 9.485 15.048) 24.214 0.766 ( 10.008 5.778 21.372) 24.297 1.247 ( 30.134 17.398 19.417) 39.847 3.203 ( 0.215 0.124 -1.812) 1.829 3.343 ( 10.720 6.189 0.196) 12.381 5.898 ( -3.485 -2.012 -6.648) 7.771 7.492 ( 0.649 0.375 5.706) 5.755 8.774 ( 69.108 39.899 -49.928) 94.131 12.453 ( -54.356 -31.382 22.512) 66.680 14.961 ( 1.075 0.620 -2.155) 2.487 16.752 ( 86.120 49.721 -60.870) 116.594 23.382 ( -64.468 -37.221 52.294) 90.974 ======================= Grid point 557 (189/417) ======================= q-point: ( 0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 13.654 7.883 13.589) 20.815 1.207 ( 20.223 11.676 8.834) 24.967 2.030 ( 34.790 20.086 7.646) 40.893 3.210 ( 1.006 0.581 -2.139) 2.434 3.650 ( 15.816 9.132 2.960) 18.501 5.766 ( -6.242 -3.604 -6.604) 9.775 7.544 ( 2.630 1.519 3.907) 4.949 9.788 ( 38.343 22.137 -34.020) 55.835 11.563 ( -32.186 -18.582 1.284) 37.187 14.992 ( 2.545 1.470 -1.676) 3.383 17.983 ( 46.291 26.726 -48.493) 72.171 22.339 ( -46.675 -26.948 50.542) 73.887 ======================= Grid point 558 (190/417) ======================= q-point: ( 0.31 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( 18.197 10.506 5.646) 21.757 1.679 ( 19.995 11.544 5.578) 23.753 2.793 ( 32.352 18.678 1.457) 37.385 3.232 ( 1.576 0.910 -2.201) 2.855 4.029 ( 16.670 9.624 5.006) 19.889 5.588 ( -7.709 -4.451 -5.740) 10.592 7.633 ( 4.598 2.655 1.616) 5.550 10.179 ( -3.690 -2.130 -3.260) 5.365 11.142 ( 4.641 2.680 -25.137) 25.702 15.069 ( 4.930 2.846 -1.038) 5.786 18.614 ( 25.106 14.495 -33.217) 44.088 21.586 ( -35.252 -20.353 33.592) 52.777 ======================= Grid point 559 (191/417) ======================= q-point: ( 0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( 21.189 12.234 0.460) 24.472 2.116 ( 17.925 10.349 3.617) 21.012 3.262 ( 1.701 0.982 -2.037) 2.830 3.443 ( 26.099 15.068 -3.374) 30.325 4.400 ( 14.992 8.656 5.860) 18.277 5.405 ( -6.945 -4.010 -3.552) 8.771 7.757 ( 6.386 3.687 -0.527) 7.393 9.731 ( -27.818 -16.061 -1.982) 32.183 11.492 ( 25.698 14.837 -19.497) 35.506 15.204 ( 7.387 4.265 -0.390) 8.539 18.927 ( 12.898 7.447 -24.481) 28.655 20.981 ( -27.526 -15.892 18.024) 36.539 ======================= Grid point 560 (192/417) ======================= q-point: ( 0.44 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.394 ( 22.626 13.063 -2.700) 26.266 2.487 ( 14.647 8.456 2.222) 17.058 3.290 ( 1.288 0.744 -1.663) 2.231 3.887 ( 14.991 8.655 -8.066) 19.097 4.717 ( 11.654 6.729 5.335) 14.476 5.291 ( -2.079 -1.200 0.803) 2.531 7.907 ( 7.413 4.280 -2.044) 8.801 9.097 ( -27.220 -15.715 -4.375) 31.734 11.993 ( 22.943 13.246 -10.296) 28.423 15.384 ( 8.632 4.984 0.181) 9.969 19.054 ( 5.800 3.349 -18.679) 19.843 20.496 ( -19.843 -11.457 6.891) 23.927 ======================= Grid point 561 (193/417) ======================= q-point: ( 0.50 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.772 ( 10.538 6.084 0.937) 12.204 2.883 ( 22.491 12.985 -4.704) 26.393 3.305 ( 0.532 0.307 -0.991) 1.166 4.035 ( 1.709 0.987 -10.836) 11.014 4.933 ( 6.547 3.780 3.343) 8.266 5.340 ( 4.888 2.822 5.818) 8.106 8.061 ( 6.968 4.023 -2.778) 8.512 8.539 ( -21.347 -12.324 -3.579) 24.907 12.397 ( 15.614 9.015 -7.804) 19.645 15.570 ( 7.700 4.446 0.657) 8.916 19.090 ( 2.797 1.615 -12.286) 12.704 20.165 ( -11.102 -6.410 1.267) 12.882 ======================= Grid point 562 (194/417) ======================= q-point: ( 0.56 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.950 ( 5.313 3.067 -0.703) 6.175 3.311 ( 0.299 0.172 0.268) 0.437 3.343 ( 20.468 11.817 -6.184) 24.430 3.932 ( -7.031 -4.060 -10.013) 12.891 5.039 ( 2.474 1.429 2.005) 3.490 5.481 ( 4.386 2.532 7.750) 9.258 8.165 ( -11.076 -6.395 -1.487) 12.876 8.184 ( 4.794 2.768 -2.781) 6.195 12.608 ( 6.182 3.569 -11.147) 13.237 15.711 ( 4.484 2.589 1.006) 5.275 19.125 ( 3.506 2.024 -4.491) 6.047 20.015 ( -2.993 -1.728 0.609) 3.509 ======================= Grid point 563 (195/417) ======================= q-point: (-0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.990 ( -1.307 -0.755 -2.359) 2.800 3.331 ( 1.263 0.729 1.716) 2.252 3.650 ( -7.404 -4.274 -9.449) 12.742 3.761 ( 11.109 6.414 -6.010) 14.166 5.063 ( -0.748 -0.432 1.743) 1.945 5.545 ( -1.415 -0.817 7.938) 8.105 8.066 ( 2.502 1.445 0.929) 3.035 8.246 ( 1.394 0.805 -2.143) 2.680 12.603 ( -2.040 -1.178 -15.970) 16.143 15.764 ( -0.196 -0.113 1.135) 1.157 19.224 ( 5.586 3.225 2.102) 6.783 20.020 ( 2.414 1.394 2.704) 3.883 ======================= Grid point 564 (196/417) ======================= q-point: (-0.31 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.889 ( -6.731 -3.886 -2.750) 8.244 3.298 ( -17.786 -10.269 -6.939) 21.678 3.366 ( 1.054 0.609 2.081) 2.411 4.032 ( 11.069 6.391 -8.124) 15.145 5.023 ( -3.553 -2.051 2.871) 5.007 5.467 ( -7.530 -4.347 6.914) 11.109 8.230 ( -2.237 -1.292 -0.965) 2.758 8.276 ( 15.310 8.839 3.075) 17.944 12.445 ( -6.396 -3.693 -17.474) 18.970 15.709 ( -4.902 -2.830 0.946) 5.739 19.367 ( 5.815 3.357 4.307) 7.977 20.119 ( 4.971 2.870 5.026) 7.629 ======================= Grid point 565 (197/417) ======================= q-point: (-0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.683 ( -10.989 -6.345 -2.412) 12.917 2.847 ( -20.786 -12.001 -5.453) 24.614 3.384 ( -0.097 -0.056 1.975) 1.978 4.151 ( 1.382 0.798 -8.888) 9.031 4.905 ( -9.735 -5.621 5.254) 12.409 5.314 ( -5.506 -3.179 4.019) 7.522 8.146 ( -5.171 -2.985 0.566) 5.998 8.723 ( 22.998 13.278 3.984) 26.853 12.236 ( -7.145 -4.125 -14.355) 16.557 15.564 ( -8.116 -4.686 0.434) 9.381 19.485 ( 3.582 2.068 1.398) 4.366 20.258 ( 5.646 3.260 6.608) 9.283 ======================= Grid point 566 (198/417) ======================= q-point: (-0.19 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( -21.990 -12.696 -3.949) 25.698 2.391 ( -14.806 -8.548 -1.586) 17.170 3.376 ( -1.166 -0.673 1.762) 2.218 3.999 ( -13.410 -7.742 -6.096) 16.641 4.602 ( -17.532 -10.122 3.921) 20.620 5.323 ( 4.854 2.802 1.450) 5.789 8.015 ( -6.935 -4.004 2.179) 8.299 9.265 ( 23.925 13.813 2.482) 27.737 12.049 ( -6.177 -3.567 -8.652) 11.213 15.372 ( -8.868 -5.120 -0.281) 10.243 19.522 ( 0.268 0.155 -5.823) 5.831 20.410 ( 5.910 3.412 9.212) 11.464 ======================= Grid point 567 (199/417) ======================= q-point: (-0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( -22.174 -12.802 -2.049) 25.686 2.023 ( -18.140 -10.473 -0.122) 20.946 3.348 ( -1.812 -1.046 1.438) 2.538 3.518 ( -28.294 -16.336 -1.106) 32.690 4.227 ( -16.509 -9.532 0.095) 19.064 5.484 ( 8.636 4.986 -0.405) 9.980 7.863 ( -7.493 -4.326 3.636) 9.385 9.749 ( 18.962 10.948 -1.940) 21.981 11.906 ( -5.007 -2.891 -3.669) 6.848 15.188 ( -7.238 -4.179 -1.012) 8.418 19.452 ( -3.271 -1.888 -17.864) 18.259 20.597 ( 7.618 4.398 17.517) 19.602 ======================= Grid point 572 (200/417) ======================= q-point: ( 0.19 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( -0.000 12.513 20.966) 24.416 0.846 ( -0.000 18.053 15.290) 23.658 1.300 ( -0.000 30.751 20.544) 36.982 3.228 ( 0.000 1.700 -1.129) 2.041 3.295 ( 0.000 9.665 -0.580) 9.682 5.875 ( 0.000 -3.909 -7.382) 8.353 7.587 ( -0.000 4.079 8.254) 9.207 8.549 ( 0.000 70.377 -39.635) 80.770 12.615 ( -0.000 -54.195 16.883) 56.764 14.930 ( 0.000 0.223 -3.020) 3.029 16.530 ( 0.000 91.476 -47.829) 103.225 23.538 ( -0.000 -67.561 40.329) 78.682 ======================= Grid point 573 (201/417) ======================= q-point: ( 0.25 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( 6.017 10.442 17.559) 21.297 1.155 ( 9.563 20.035 10.597) 24.600 1.849 ( 19.257 32.616 9.637) 39.083 3.233 ( -0.954 3.592 -1.853) 4.153 3.512 ( 11.636 11.340 2.003) 16.370 5.778 ( -3.150 -5.368 -7.462) 9.717 7.611 ( -3.433 5.892 6.498) 9.420 9.324 ( 32.467 39.852 -34.623) 61.976 11.921 ( -30.431 -28.812 4.773) 42.178 14.957 ( 2.878 1.397 -2.564) 4.100 17.477 ( 35.047 52.288 -43.995) 76.798 22.793 ( -29.555 -50.275 43.902) 72.996 ======================= Grid point 574 (202/417) ======================= q-point: ( 0.31 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( 11.342 12.060 9.500) 19.088 1.576 ( 13.763 19.633 6.917) 24.954 2.534 ( 24.839 27.303 2.560) 37.000 3.254 ( -0.757 5.127 -1.964) 5.542 3.865 ( 15.721 10.983 4.529) 19.705 5.626 ( -5.372 -6.066 -6.757) 10.551 7.653 ( -0.570 6.298 4.076) 7.523 10.000 ( 23.711 14.242 -15.232) 31.576 11.236 ( -23.722 -9.345 -13.551) 28.874 15.033 ( 3.962 4.460 -1.950) 6.276 18.240 ( 27.320 26.030 -33.214) 50.270 22.008 ( -31.295 -34.782 34.016) 57.846 ======================= Grid point 575 (203/417) ======================= q-point: ( 0.38 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( 16.360 13.370 2.646) 21.294 2.009 ( 13.760 18.373 4.523) 23.396 3.166 ( 21.968 17.690 -3.255) 28.393 3.302 ( 1.398 9.200 -0.898) 9.348 4.245 ( 15.715 9.360 5.824) 19.196 5.453 ( -5.933 -5.591 -4.953) 9.539 7.740 ( 2.181 7.113 1.721) 7.637 10.000 ( -19.792 -14.334 0.154) 24.437 11.163 ( 18.648 14.924 -23.344) 33.398 15.165 ( 5.325 8.317 -1.345) 9.967 18.683 ( 16.770 12.204 -25.240) 32.668 21.320 ( -27.988 -25.300 20.620) 42.995 ======================= Grid point 576 (204/417) ======================= q-point: ( 0.44 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( 19.823 13.524 -2.013) 24.081 2.400 ( 11.613 16.396 2.925) 20.304 3.316 ( -0.363 5.795 -2.222) 6.217 3.696 ( 17.094 13.987 -6.113) 22.917 4.589 ( 13.557 7.040 5.929) 16.386 5.314 ( -3.381 -3.337 -1.396) 4.952 7.869 ( 4.042 8.207 -0.197) 9.151 9.411 ( -28.712 -14.590 -3.519) 32.398 11.649 ( 26.514 11.935 -12.667) 31.716 15.356 ( 5.968 12.272 -0.754) 13.667 18.894 ( 9.385 4.304 -20.085) 22.583 20.741 ( -22.596 -18.066 9.376) 30.412 ======================= Grid point 577 (205/417) ======================= q-point: ( 0.50 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.611 ( 20.825 12.109 -5.208) 24.646 2.722 ( 9.015 14.149 1.837) 16.877 3.352 ( -1.579 6.416 -1.481) 6.772 3.959 ( 6.363 5.415 -10.140) 13.139 4.854 ( 9.284 4.360 4.636) 11.256 5.299 ( 3.288 0.113 3.820) 5.041 8.018 ( 4.368 7.918 -1.447) 9.158 8.821 ( -25.930 -9.228 -3.666) 27.767 12.109 ( 22.240 4.754 -7.904) 24.077 15.579 ( 4.505 15.564 -0.263) 16.205 18.975 ( 5.975 -0.150 -14.779) 15.942 20.306 ( -14.882 -11.242 2.600) 18.831 ======================= Grid point 578 (206/417) ======================= q-point: ( 0.56 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.919 ( 5.813 8.733 -1.858) 10.654 3.082 ( 19.125 11.416 -4.356) 22.695 3.382 ( -1.956 7.748 -1.112) 8.068 3.962 ( -3.594 -0.183 -10.741) 11.328 5.006 ( 4.298 1.848 2.788) 5.446 5.422 ( 7.113 0.538 7.477) 10.334 8.116 ( 1.232 -0.500 -1.687) 2.148 8.410 ( -16.945 5.055 -2.345) 17.838 12.393 ( 14.221 -3.195 -9.605) 17.455 15.780 ( 0.347 17.055 -0.040) 17.058 19.023 ( 6.382 -1.758 -7.603) 10.081 20.060 ( -6.055 -5.007 0.539) 7.875 ======================= Grid point 579 (207/417) ======================= q-point: ( 0.62 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.020 ( -0.577 5.044 -2.461) 5.642 3.361 ( 1.645 5.097 1.423) 5.542 3.525 ( 13.153 10.154 -8.726) 18.768 3.802 ( -9.449 -1.219 -8.471) 12.748 5.062 ( 0.965 -0.455 2.054) 2.314 5.539 ( 3.623 -2.393 8.549) 9.588 8.041 ( -0.744 -4.727 0.066) 4.785 8.357 ( -6.387 15.680 -1.936) 17.041 12.454 ( 6.054 -9.992 -14.460) 18.590 15.897 ( -5.478 15.744 -0.063) 16.670 19.121 ( 8.662 -1.076 -0.322) 8.734 20.001 ( 1.071 -0.652 1.617) 2.046 ======================= Grid point 580 (208/417) ======================= q-point: (-0.31 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.986 ( -6.454 2.259 -2.757) 7.373 3.370 ( -5.543 -2.283 -1.178) 6.110 3.516 ( -11.140 2.276 -5.005) 12.423 3.870 ( 12.238 8.433 -8.976) 17.362 5.050 ( -1.451 -2.514 2.601) 3.897 5.534 ( -2.968 -5.893 8.230) 10.548 8.094 ( 8.701 -0.149 1.386) 8.812 8.398 ( -6.006 16.594 -0.609) 17.658 12.337 ( 1.129 -13.730 -17.498) 22.270 15.893 ( -10.985 12.125 -0.075) 16.361 19.274 ( 9.191 -0.024 3.254) 9.750 20.070 ( 5.084 1.455 3.593) 6.394 ======================= Grid point 581 (209/417) ======================= q-point: (-0.25 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.840 ( -11.562 0.511 -2.306) 11.801 3.050 ( -18.448 -9.782 -6.070) 21.745 3.469 ( -4.863 7.690 1.615) 9.241 4.067 ( 7.016 3.998 -10.776) 13.466 4.983 ( -4.314 -5.046 4.717) 8.144 5.398 ( -7.415 -6.945 6.259) 11.933 8.193 ( -0.088 -1.251 0.211) 1.272 8.590 ( 10.319 19.951 2.915) 22.650 12.149 ( -0.014 -14.200 -16.245) 21.576 15.773 ( -14.697 7.898 -0.115) 16.686 19.419 ( 6.594 0.013 1.454) 6.752 20.201 ( 6.586 1.917 5.209) 8.613 ======================= Grid point 582 (210/417) ======================= q-point: (-0.19 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.584 ( -18.886 -7.406 -2.864) 20.488 2.620 ( -19.049 -2.915 -3.428) 19.573 3.459 ( -5.040 6.011 1.576) 8.001 4.072 ( -4.349 -1.867 -10.210) 11.253 4.787 ( -13.765 -10.683 6.713) 18.672 5.293 ( 0.154 -1.294 2.598) 2.907 8.110 ( -6.905 -1.628 1.000) 7.164 9.058 ( 19.948 18.458 3.004) 27.343 11.976 ( 0.639 -12.580 -12.005) 17.401 15.574 ( -15.785 4.479 -0.370) 16.413 19.485 ( 2.139 -0.681 -4.868) 5.361 20.353 ( 7.268 1.659 7.404) 10.507 ======================= Grid point 583 (211/417) ======================= q-point: (-0.12 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( -22.922 -8.942 -2.763) 24.759 2.290 ( -20.411 -1.521 -0.406) 20.472 3.428 ( -5.255 4.337 1.133) 6.907 3.796 ( -20.062 -8.439 -5.770) 22.517 4.421 ( -17.690 -10.910 4.297) 21.223 5.380 ( 7.658 2.310 0.011) 7.999 7.965 ( -8.107 -3.036 2.356) 8.971 9.558 ( 18.940 15.012 0.391) 24.171 11.848 ( 1.008 -10.439 -8.244) 13.340 15.353 ( -14.037 2.392 -0.830) 14.263 19.438 ( -2.935 -1.282 -14.750) 15.094 20.536 ( 9.387 1.670 13.373) 16.424 ======================= Grid point 589 (212/417) ======================= q-point: ( 0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( -0.000 12.348 16.590) 20.681 1.300 ( -0.000 20.170 9.173) 22.158 2.076 ( -0.000 38.627 6.016) 39.093 3.260 ( 0.000 2.424 -1.226) 2.716 3.562 ( -0.000 17.000 2.591) 17.196 5.720 ( 0.000 -6.682 -7.663) 10.167 7.729 ( -0.000 4.948 6.957) 8.537 9.349 ( 0.000 39.449 -26.434) 47.486 11.902 ( 0.000 -28.672 -2.404) 28.773 14.933 ( 0.000 2.456 -2.722) 3.666 17.592 ( 0.000 53.520 -36.313) 64.676 22.647 ( -0.000 -54.060 37.134) 65.585 ======================= Grid point 590 (213/417) ======================= q-point: ( 0.31 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 4.025 13.703 10.990) 18.021 1.604 ( 9.225 20.187 6.937) 23.254 2.542 ( 10.743 34.489 0.728) 36.131 3.296 ( 1.247 3.944 -1.603) 4.436 3.810 ( 7.606 17.137 5.129) 19.438 5.605 ( -2.614 -7.190 -7.095) 10.434 7.768 ( -2.737 6.065 5.003) 8.325 9.752 ( 17.236 20.698 -13.835) 30.281 11.469 ( -19.353 -14.604 -13.216) 27.613 14.997 ( 4.356 4.796 -2.331) 6.885 18.070 ( 14.930 35.392 -28.970) 48.112 22.130 ( -16.107 -44.324 29.178) 55.456 ======================= Grid point 591 (214/417) ======================= q-point: ( 0.38 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( 9.357 14.889 4.392) 18.125 2.002 ( 12.333 19.990 5.137) 24.044 3.043 ( 14.593 24.456 -4.165) 28.782 3.368 ( 1.924 7.954 -1.045) 8.250 4.143 ( 11.111 14.435 6.655) 19.394 5.460 ( -4.055 -6.513 -5.580) 9.487 7.815 ( -0.746 7.681 3.098) 8.316 10.026 ( 3.126 -7.770 -0.281) 8.380 11.106 ( -5.833 9.286 -21.779) 24.384 15.147 ( 6.597 9.033 -2.176) 11.396 18.488 ( 13.618 19.136 -23.389) 33.147 21.518 ( -21.232 -33.804 18.847) 44.144 ======================= Grid point 592 (215/417) ======================= q-point: ( 0.44 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( 14.196 15.045 -0.863) 20.703 2.404 ( 11.141 19.164 3.859) 22.500 3.342 ( 4.224 7.698 -5.504) 10.363 3.595 ( 11.240 17.266 -2.978) 20.817 4.475 ( 11.353 10.638 6.731) 16.952 5.327 ( -3.385 -4.328 -2.801) 6.167 7.914 ( 1.712 9.311 1.584) 9.599 9.690 ( -21.479 -16.176 -2.489) 27.004 11.335 ( 19.059 14.178 -12.318) 26.758 15.373 ( 7.839 14.489 -1.962) 16.590 18.727 ( 8.688 7.991 -19.893) 23.131 20.932 ( -20.719 -24.694 9.044) 33.480 ======================= Grid point 593 (216/417) ======================= q-point: ( 0.50 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.397 ( 17.373 14.084 -4.603) 22.834 2.750 ( 7.963 17.346 2.937) 19.311 3.422 ( 0.669 6.344 -3.788) 7.419 3.888 ( 7.674 11.135 -7.547) 15.487 4.756 ( 9.853 6.541 6.058) 13.288 5.269 ( 0.464 -1.402 1.222) 1.917 8.043 ( 2.342 8.392 0.322) 8.718 9.162 ( -24.546 -7.536 -3.582) 25.926 11.756 ( 21.695 4.940 -4.949) 22.794 15.662 ( 7.219 20.305 -1.607) 21.609 18.818 ( 5.680 0.468 -16.485) 17.442 20.444 ( -16.159 -16.337 2.349) 23.099 ======================= Grid point 594 (217/417) ======================= q-point: ( 0.56 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.795 ( 16.901 11.709 -7.108) 21.754 3.019 ( 5.525 14.760 2.097) 15.899 3.473 ( -0.313 6.255 -3.013) 6.949 3.995 ( -1.126 6.608 -9.161) 11.351 4.955 ( 5.987 3.172 4.264) 8.005 5.326 ( 5.975 -1.054 5.368) 8.101 8.102 ( -0.920 -1.447 -0.775) 1.882 8.789 ( -18.935 10.538 -1.733) 21.739 12.064 ( 16.565 -5.103 -4.571) 17.926 15.966 ( 2.974 24.999 -1.575) 25.225 18.847 ( 6.651 -4.308 -10.955) 13.521 20.119 ( -8.690 -8.679 -0.296) 12.285 ======================= Grid point 595 (218/417) ======================= q-point: ( 0.62 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.058 ( 4.396 8.236 -4.999) 10.590 3.282 ( 11.544 11.264 -1.379) 16.187 3.511 ( -0.437 5.144 -4.047) 6.560 3.947 ( -8.079 7.096 -7.595) 13.165 5.043 ( 1.784 0.222 2.366) 2.972 5.443 ( 7.037 -3.966 7.905) 11.302 8.001 ( -2.183 -8.063 -0.473) 8.367 8.718 ( -12.571 24.883 -0.173) 27.879 12.163 ( 9.317 -13.858 -8.837) 18.893 16.194 ( -5.020 26.134 -2.222) 26.704 18.915 ( 10.920 -5.879 -3.646) 12.927 19.986 ( -1.068 -2.921 0.085) 3.111 ======================= Grid point 596 (219/417) ======================= q-point: (-0.31 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.106 ( -3.908 5.665 -2.959) 7.491 3.450 ( -4.845 0.416 -0.773) 4.924 3.578 ( 7.716 5.592 -8.666) 12.881 3.875 ( -6.415 12.873 -5.294) 15.326 5.047 ( -0.498 -2.672 2.059) 3.410 5.501 ( 2.578 -7.301 8.391) 11.418 7.961 ( 5.374 -4.219 0.645) 6.863 8.768 ( -12.595 27.195 0.802) 29.981 12.073 ( 4.415 -19.168 -13.069) 23.616 16.267 ( -13.433 22.636 -2.620) 26.452 19.070 ( 13.817 -4.770 1.380) 14.682 20.007 ( 4.219 0.099 1.519) 4.485 ======================= Grid point 597 (220/417) ======================= q-point: (-0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.032 ( -9.314 3.342 -1.822) 10.062 3.235 ( -14.854 -4.682 -5.629) 16.561 3.657 ( -4.081 8.931 -0.335) 9.825 3.972 ( 4.659 9.911 -9.617) 14.575 4.997 ( -2.019 -5.412 3.519) 6.764 5.440 ( -3.463 -8.864 7.228) 11.951 8.081 ( 10.074 -1.723 0.878) 10.258 8.835 ( -9.664 26.693 2.119) 28.467 11.898 ( 3.508 -19.823 -13.592) 24.290 16.174 ( -19.098 16.624 -2.148) 25.411 19.258 ( 11.999 -3.268 1.005) 12.476 20.115 ( 6.798 0.811 2.634) 7.335 ======================= Grid point 598 (221/417) ======================= q-point: (-0.19 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.819 ( -17.136 -4.631 -2.188) 17.885 2.912 ( -17.530 2.243 -3.791) 18.075 3.646 ( -7.044 8.380 0.746) 10.972 4.065 ( 0.782 4.812 -11.250) 12.261 4.881 ( -6.681 -9.657 6.503) 13.423 5.308 ( -3.963 -5.541 4.103) 7.952 8.171 ( 0.472 -1.457 0.588) 1.640 9.035 ( 5.233 22.605 2.540) 23.342 11.748 ( 4.523 -16.317 -10.504) 19.926 15.957 ( -21.406 10.627 -1.508) 23.946 19.386 ( 6.855 -2.399 -4.085) 8.332 20.253 ( 7.950 0.231 3.794) 8.812 ======================= Grid point 599 (222/417) ======================= q-point: (-0.12 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.420 ( -22.189 -4.954 -2.783) 22.905 2.636 ( -19.718 2.979 -0.607) 19.951 3.592 ( -7.554 5.433 -0.062) 9.305 3.982 ( -10.719 0.725 -9.313) 14.218 4.612 ( -14.983 -11.408 7.548) 20.289 5.289 ( 4.057 -0.565 0.878) 4.189 8.086 ( -7.795 -1.692 1.216) 8.069 9.410 ( 15.701 14.688 0.538) 21.507 11.665 ( 4.250 -10.723 -7.343) 13.674 15.679 ( -20.439 5.809 -1.248) 21.285 19.404 ( 0.718 -1.541 -11.931) 12.052 20.414 ( 9.878 -0.593 7.220) 12.250 ======================= Grid point 606 (223/417) ======================= q-point: ( 0.31 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( -0.000 14.996 9.422) 17.710 1.726 ( -0.000 19.163 5.375) 19.903 2.793 ( 0.000 33.835 -2.682) 33.941 3.301 ( 0.000 2.727 -1.479) 3.102 3.963 ( -0.000 21.466 6.652) 22.473 5.533 ( 0.000 -7.422 -6.641) 9.960 7.856 ( -0.000 4.498 3.375) 5.623 9.752 ( 0.000 13.099 -5.745) 14.303 11.449 ( 0.000 -10.204 -19.340) 21.866 15.000 ( 0.000 6.272 -1.620) 6.478 18.205 ( 0.000 33.162 -23.656) 40.735 21.916 ( -0.000 -43.762 22.344) 49.136 ======================= Grid point 607 (224/417) ======================= q-point: ( 0.38 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( 2.877 16.183 4.795) 17.121 2.010 ( 9.786 18.251 4.534) 21.199 3.117 ( 4.773 25.826 -5.894) 26.917 3.362 ( 4.447 4.297 -1.426) 6.346 4.226 ( 3.188 21.535 7.685) 23.086 5.428 ( -1.895 -6.352 -5.306) 8.491 7.900 ( -0.391 5.308 1.721) 5.594 9.860 ( 6.130 -6.796 0.907) 9.196 11.249 ( -8.350 5.328 -21.638) 23.797 15.117 ( 5.776 9.061 -1.485) 10.847 18.465 ( 5.388 23.485 -19.785) 31.177 21.493 ( -10.295 -37.113 14.415) 41.124 ======================= Grid point 608 (225/417) ======================= q-point: ( 0.44 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.973 ( 7.509 16.630 0.069) 18.247 2.392 ( 12.989 17.341 4.149) 22.060 3.338 ( 3.088 10.611 -7.025) 13.095 3.558 ( 10.363 11.737 -2.268) 15.821 4.506 ( 4.065 18.212 7.068) 19.954 5.326 ( -2.464 -3.754 -3.025) 5.414 7.975 ( 1.698 7.395 1.066) 7.662 9.732 ( -5.416 -20.080 -1.587) 20.858 11.252 ( 3.778 15.315 -11.935) 19.781 15.349 ( 9.924 13.390 -1.913) 16.777 18.659 ( 3.807 13.322 -17.745) 22.513 20.999 ( -14.769 -28.633 6.623) 32.891 ======================= Grid point 609 (226/417) ======================= q-point: ( 0.50 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.286 ( 11.761 16.081 -3.473) 20.223 2.771 ( 11.104 16.160 3.935) 19.998 3.426 ( 2.132 5.093 -6.357) 8.420 3.838 ( 10.255 10.656 -4.484) 15.454 4.742 ( 4.073 12.203 5.948) 14.174 5.267 ( -1.320 -0.512 -0.138) 1.422 8.086 ( 1.861 6.796 0.596) 7.072 9.387 ( -13.010 -11.979 -4.129) 18.161 11.506 ( 13.230 7.926 -1.679) 15.513 15.685 ( 12.363 19.110 -1.965) 22.845 18.726 ( 1.010 4.732 -16.256) 16.960 20.531 ( -14.360 -19.929 0.847) 24.579 ======================= Grid point 610 (227/417) ======================= q-point: ( 0.56 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.635 ( 14.186 14.445 -5.833) 21.070 3.080 ( 6.671 14.482 3.584) 16.343 3.476 ( 2.252 2.269 -5.780) 6.605 4.042 ( 4.069 10.266 -6.105) 12.618 4.918 ( 4.521 5.949 5.474) 9.262 5.269 ( 1.109 -0.025 2.404) 2.648 8.110 ( -2.706 -2.800 -0.540) 3.931 9.148 ( -10.957 9.196 -2.105) 14.459 11.758 ( 13.318 -3.648 1.320) 13.872 16.094 ( 11.223 25.494 -1.728) 27.909 18.696 ( 1.103 -2.731 -13.225) 13.549 20.173 ( -9.798 -11.615 -1.699) 15.290 ======================= Grid point 611 (228/417) ======================= q-point: ( 0.62 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.969 ( 12.631 11.355 -6.799) 18.295 3.291 ( 3.123 11.747 1.837) 12.293 3.513 ( 2.333 1.090 -4.581) 5.256 4.131 ( -3.713 12.651 -5.921) 14.453 5.031 ( 2.083 1.965 3.513) 4.532 5.313 ( 5.004 -4.291 5.381) 8.509 7.967 ( -4.503 -9.737 -0.851) 10.762 9.170 ( -9.206 26.840 0.606) 28.381 11.854 ( 8.532 -14.519 -1.746) 16.931 16.489 ( 3.242 30.418 -2.391) 30.683 18.662 ( 6.934 -8.764 -7.365) 13.384 19.982 ( -3.238 -4.856 -1.514) 6.030 ======================= Grid point 612 (229/417) ======================= q-point: ( 0.69 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.172 ( 2.606 6.699 -3.914) 8.185 3.464 ( 7.697 7.867 -5.015) 12.095 3.522 ( -2.192 1.760 -2.168) 3.550 4.144 ( -8.455 15.802 -3.992) 18.361 5.043 ( -1.349 -1.654 1.255) 2.476 5.373 ( 6.266 -8.691 7.637) 13.158 7.846 ( 1.479 -7.447 -0.108) 7.594 9.290 ( -12.867 32.782 2.412) 35.299 11.765 ( 4.464 -21.969 -6.704) 23.399 16.714 ( -10.361 29.494 -3.808) 31.492 18.743 ( 15.949 -10.514 -1.259) 19.145 19.949 ( 2.375 -0.902 -0.332) 2.562 ======================= Grid point 613 (230/417) ======================= q-point: (-0.25 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.180 ( -5.343 2.901 -0.938) 6.151 3.410 ( -9.970 0.891 -5.959) 11.649 3.657 ( 7.335 5.432 -4.714) 10.272 4.147 ( -8.610 17.366 -3.078) 19.626 4.982 ( -1.990 -5.760 1.887) 6.380 5.382 ( 2.370 -10.027 7.091) 12.507 7.888 ( 9.416 -3.579 0.269) 10.077 9.359 ( -17.177 31.143 3.317) 35.721 11.587 ( 4.677 -22.758 -8.615) 24.779 16.684 ( -20.772 22.012 -3.570) 30.475 18.953 ( 18.743 -7.823 -0.159) 20.311 20.019 ( 5.713 0.268 0.349) 5.730 ======================= Grid point 614 (231/417) ======================= q-point: (-0.19 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.038 ( -13.090 -1.426 -0.510) 13.178 3.199 ( -14.698 3.856 -4.481) 15.842 3.756 ( 1.216 3.036 -4.573) 5.622 4.166 ( -6.561 15.094 -5.311) 17.294 4.883 ( -2.827 -9.433 5.013) 11.050 5.315 ( -1.874 -7.684 4.628) 9.164 8.048 ( 10.997 -1.808 0.045) 11.145 9.350 ( -14.529 22.012 2.160) 26.462 11.473 ( 6.974 -15.041 -5.605) 17.501 16.455 ( -25.168 13.195 -2.252) 28.506 19.166 ( 14.227 -4.826 -4.231) 15.608 20.130 ( 7.349 -0.393 0.442) 7.373 ======================= Grid point 615 (232/417) ======================= q-point: (-0.12 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.736 ( -20.022 -0.967 -1.870) 20.132 2.971 ( -16.822 3.363 -1.007) 17.184 3.728 ( -4.761 1.018 -4.100) 6.365 4.154 ( -8.279 10.342 -7.359) 15.154 4.725 ( -7.745 -10.254 8.183) 15.235 5.247 ( -0.162 -2.979 1.712) 3.440 8.146 ( 1.035 -1.299 0.247) 1.679 9.369 ( 0.665 8.095 -1.109) 8.197 11.491 ( 6.375 -3.210 -1.390) 7.272 16.114 ( -25.424 5.863 -1.451) 26.131 19.285 ( 7.172 -2.469 -10.660) 13.083 20.257 ( 9.064 -1.746 1.576) 9.364 ======================= Grid point 623 (233/417) ======================= q-point: ( 0.38 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( -0.000 17.000 3.533) 17.363 2.101 ( -0.000 17.017 3.262) 17.327 3.293 ( 0.000 21.356 -6.862) 22.431 3.341 ( 0.000 2.549 -1.760) 3.097 4.454 ( -0.000 23.979 7.454) 25.111 5.373 ( 0.000 -4.626 -4.093) 6.177 7.942 ( 0.000 3.625 -0.533) 3.664 9.712 ( -0.000 -15.938 1.692) 16.028 11.310 ( 0.000 9.357 -19.956) 22.041 15.153 ( 0.000 10.237 -0.380) 10.244 18.589 ( 0.000 21.832 -16.599) 27.426 21.268 ( -0.000 -34.543 8.875) 35.665 ======================= Grid point 624 (234/417) ======================= q-point: ( 0.44 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.063 ( 1.940 17.581 0.408) 17.693 2.360 ( 10.102 15.547 3.266) 18.826 3.376 ( 1.354 5.739 -4.340) 7.322 3.492 ( 6.699 10.682 -4.472) 13.378 4.699 ( -0.148 21.475 5.617) 22.198 5.324 ( -1.231 -0.922 -1.991) 2.516 7.995 ( 2.622 4.572 -1.215) 5.409 9.532 ( 1.210 -24.449 -1.814) 24.546 11.349 ( -1.231 13.704 -10.905) 17.557 15.318 ( 7.140 12.348 -0.528) 14.273 18.725 ( -0.294 16.395 -14.883) 22.145 20.921 ( -7.125 -28.294 3.295) 29.362 ======================= Grid point 625 (235/417) ======================= q-point: ( 0.50 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.291 ( 5.875 17.428 -2.402) 18.548 2.716 ( 13.494 13.607 3.700) 19.517 3.432 ( 0.775 4.654 -5.661) 7.369 3.711 ( 11.859 5.727 -2.838) 13.471 4.877 ( -1.207 14.629 3.343) 15.054 5.309 ( -2.039 4.036 0.331) 4.534 8.101 ( 3.552 5.195 -0.699) 6.332 9.304 ( 1.066 -20.843 -5.091) 21.483 11.464 ( 2.955 10.018 -0.126) 10.446 15.621 ( 13.640 15.580 -1.029) 20.733 18.772 ( -3.686 10.033 -14.136) 17.722 20.540 ( -10.302 -20.567 -1.048) 23.027 ======================= Grid point 626 (236/417) ======================= q-point: ( 0.56 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.570 ( 9.359 16.301 -4.122) 19.243 3.064 ( 11.950 11.389 4.161) 17.024 3.449 ( 0.170 1.711 -5.696) 5.950 3.966 ( 12.638 6.049 -2.969) 14.323 4.971 ( -0.695 7.175 3.147) 7.866 5.320 ( -3.387 5.741 1.173) 6.768 8.129 ( -3.003 -2.999 -1.012) 4.363 9.228 ( 6.130 -0.779 -4.222) 7.483 11.599 ( 4.929 0.216 5.643) 7.496 16.057 ( 18.428 20.039 -0.806) 27.236 18.702 ( -6.761 3.396 -12.914) 14.967 20.207 ( -9.215 -12.674 -3.010) 15.957 ======================= Grid point 627 (237/417) ======================= q-point: ( 0.62 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.871 ( 10.786 13.902 -4.830) 18.247 3.341 ( 6.729 9.787 4.470) 12.690 3.446 ( 2.051 -0.742 -5.437) 5.858 4.202 ( 7.584 9.769 -4.104) 13.030 5.030 ( 1.505 1.553 4.526) 5.016 5.297 ( -4.296 1.683 1.123) 4.749 7.962 ( -6.748 -9.887 -1.287) 12.039 9.437 ( 6.649 19.794 -1.542) 20.938 11.631 ( 2.642 -11.653 4.877) 12.906 16.586 ( 18.036 25.685 -0.401) 31.388 18.547 ( -5.895 -4.425 -9.699) 12.182 19.991 ( -4.850 -5.792 -2.645) 8.004 ======================= Grid point 628 (238/417) ======================= q-point: ( 0.69 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.135 ( 8.116 9.567 -3.731) 13.088 3.431 ( 1.401 2.177 -4.788) 5.442 3.545 ( 4.013 5.463 2.255) 7.143 4.364 ( -0.349 14.257 -4.035) 14.821 5.069 ( -0.284 -0.351 2.629) 2.668 5.231 ( 0.015 -7.348 3.771) 8.259 7.779 ( -2.948 -8.381 -0.613) 8.906 9.742 ( -0.744 30.926 1.089) 30.954 11.491 ( -0.082 -22.593 -0.029) 22.594 17.073 ( 5.032 31.477 -1.603) 31.917 18.410 ( 4.950 -13.541 -4.314) 15.049 19.914 ( 0.110 -1.340 -1.353) 1.908 ======================= Grid point 629 (239/417) ======================= q-point: (-0.25 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.257 ( -0.499 3.518 0.460) 3.582 3.475 ( 2.064 2.862 -9.246) 9.896 3.631 ( 0.524 5.518 1.169) 5.664 4.445 ( -6.344 16.993 -1.986) 18.247 4.990 ( -5.742 -4.452 -0.690) 7.298 5.224 ( 6.694 -11.296 6.646) 14.717 7.728 ( 4.592 -4.449 -0.196) 6.397 9.952 ( -13.783 32.790 3.271) 35.719 11.256 ( 3.909 -26.444 -3.822) 27.003 17.238 ( -18.513 26.394 -2.847) 32.365 18.498 ( 22.419 -13.636 -1.208) 26.268 19.941 ( 3.619 0.263 -0.672) 3.690 ======================= Grid point 630 (240/417) ======================= q-point: (-0.19 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.213 ( -7.702 1.208 1.840) 8.010 3.418 ( -8.728 2.936 -6.270) 11.140 3.709 ( 3.583 3.359 -4.375) 6.578 4.464 ( -10.348 16.466 -1.757) 19.527 4.844 ( -2.716 -10.138 2.917) 10.893 5.239 ( 3.761 -8.002 4.015) 9.711 7.835 ( 11.116 -1.703 -0.497) 11.256 9.871 ( -24.170 14.814 1.139) 28.371 11.193 ( 11.377 -9.905 -0.527) 15.094 17.013 ( -27.692 12.556 -1.291) 30.433 18.791 ( 22.617 -6.227 -4.542) 23.894 20.017 ( 5.465 -0.220 -1.130) 5.585 ======================= Grid point 631 (241/417) ======================= q-point: (-0.12 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.039 ( -15.490 2.261 0.367) 15.658 3.239 ( -13.148 1.455 -2.434) 13.451 3.747 ( 0.103 0.621 -6.517) 6.547 4.392 ( -10.780 7.693 -4.737) 14.065 4.748 ( -2.253 -5.615 8.096) 10.106 5.225 ( 0.514 -3.540 1.537) 3.893 8.019 ( 11.309 -0.762 -0.939) 11.374 9.537 ( -17.943 -4.893 -2.443) 18.758 11.389 ( 9.858 8.706 4.688) 13.963 16.606 ( -28.821 2.560 -0.404) 28.938 19.043 ( 14.928 -2.136 -9.950) 18.066 20.105 ( 6.872 -1.658 -1.716) 7.275 ======================= Grid point 640 (242/417) ======================= q-point: ( 0.44 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.226 ( -0.000 18.240 0.033) 18.240 2.419 ( -0.000 14.119 2.392) 14.320 3.372 ( 0.000 1.927 -1.937) 2.732 3.526 ( 0.000 8.055 -5.577) 9.797 4.909 ( -0.000 17.187 2.576) 17.379 5.349 ( -0.000 5.364 0.220) 5.369 7.994 ( 0.000 3.190 -2.720) 4.192 9.255 ( 0.000 -28.052 -3.781) 28.306 11.454 ( 0.000 12.080 -6.050) 13.510 15.372 ( -0.000 12.214 0.281) 12.218 18.845 ( 0.000 15.696 -12.711) 20.197 20.730 ( 0.000 -24.212 -0.095) 24.212 ======================= Grid point 641 (243/417) ======================= q-point: ( 0.50 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.401 ( 0.913 18.062 -1.288) 18.131 2.647 ( 9.989 12.319 2.768) 16.100 3.421 ( 3.312 2.306 -2.965) 5.007 3.593 ( 4.777 2.538 -2.763) 6.074 5.026 ( -1.371 9.184 0.079) 9.286 5.425 ( -2.029 11.926 1.676) 12.213 8.064 ( 5.030 4.001 -2.222) 6.800 8.997 ( 3.849 -26.751 -5.767) 27.635 11.545 ( -0.243 8.813 1.481) 8.940 15.562 ( 8.667 12.736 0.037) 15.406 18.912 ( -3.991 12.684 -11.509) 17.586 20.476 ( -5.172 -18.058 -2.759) 18.985 ======================= Grid point 642 (244/417) ======================= q-point: ( 0.56 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.607 ( 4.397 17.013 -2.160) 17.704 2.959 ( 12.905 9.425 3.301) 16.317 3.453 ( -0.181 0.882 -3.256) 3.378 3.763 ( 13.910 1.709 -0.808) 14.038 5.059 ( -2.007 4.458 0.160) 4.892 5.488 ( -5.336 11.823 0.799) 12.996 8.138 ( -0.863 -1.391 -1.629) 2.310 8.934 ( 17.074 -12.293 -5.519) 21.751 11.612 ( -0.757 2.672 7.393) 7.897 15.907 ( 17.581 13.880 0.038) 22.400 18.868 ( -9.415 8.786 -10.494) 16.611 20.216 ( -7.200 -11.347 -3.832) 13.974 ======================= Grid point 643 (245/417) ======================= q-point: ( 0.62 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.851 ( 7.083 15.060 -2.245) 16.793 3.252 ( 11.920 5.542 2.830) 13.447 3.435 ( -0.696 -0.162 -1.235) 1.427 4.047 ( 16.456 4.104 -1.466) 17.024 5.055 ( -1.804 0.911 1.611) 2.585 5.465 ( -8.807 7.541 -0.688) 11.614 7.990 ( -7.695 -8.446 -1.711) 11.553 9.278 ( 25.752 7.060 -3.798) 26.971 11.591 ( -4.183 -5.802 8.722) 11.280 16.406 ( 25.222 15.429 0.860) 29.579 18.700 ( -14.360 4.220 -8.513) 17.219 20.015 ( -5.654 -5.189 -3.074) 8.267 ======================= Grid point 644 (246/417) ======================= q-point: ( 0.69 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.098 ( 7.330 11.735 -1.454) 13.912 3.394 ( 2.327 -1.398 -3.515) 4.441 3.509 ( 7.119 4.384 5.132) 9.811 4.349 ( 13.417 7.655 -2.730) 15.687 5.033 ( -0.139 -3.661 3.724) 5.224 5.337 ( -11.521 2.125 -1.845) 11.860 7.784 ( -6.618 -6.735 -0.863) 9.482 9.803 ( 22.698 18.060 -2.592) 29.122 11.397 ( -10.093 -15.457 5.586) 19.287 17.020 ( 28.469 17.500 1.478) 33.450 18.426 ( -16.946 -1.757 -5.185) 17.808 19.915 ( -2.177 -0.855 -1.450) 2.752 ======================= Grid point 645 (247/417) ======================= q-point: ( 0.75 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.280 ( 3.233 6.129 1.967) 7.203 3.415 ( 3.395 1.010 -6.117) 7.069 3.655 ( 3.859 2.899 3.503) 5.964 4.598 ( 5.709 12.125 -3.021) 13.738 5.020 ( 4.829 -9.392 5.651) 11.977 5.120 ( -13.129 -2.445 -2.674) 13.620 7.665 ( -1.516 -2.767 -0.190) 3.161 10.321 ( 12.676 27.731 -0.335) 30.493 11.010 ( -12.047 -26.666 0.926) 29.276 17.638 ( 16.618 25.486 0.548) 30.431 18.097 ( -8.440 -15.145 -1.857) 17.437 19.906 ( 0.941 0.922 -0.376) 1.370 ======================= Grid point 646 (248/417) ======================= q-point: (-0.19 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.328 ( -2.834 2.495 4.412) 5.807 3.464 ( 1.791 1.411 -8.023) 8.341 3.714 ( -0.047 2.499 0.547) 2.559 4.743 ( -1.649 12.864 0.820) 12.995 4.842 ( -12.022 -9.221 -1.787) 15.256 5.071 ( 8.255 -7.037 2.820) 11.208 7.684 ( 5.173 0.206 -0.294) 5.185 10.366 ( -27.555 -6.731 -0.955) 28.381 10.905 ( 20.024 6.667 1.885) 21.189 17.577 ( -28.829 3.736 1.060) 29.090 18.297 ( 29.420 -0.109 -3.399) 29.616 19.946 ( 2.773 0.627 -0.658) 2.918 ======================= Grid point 647 (249/417) ======================= q-point: (-0.12 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.276 ( -8.587 3.272 4.012) 10.026 3.401 ( -6.963 -0.880 -5.639) 9.003 3.731 ( 0.275 1.784 -4.062) 4.445 4.547 ( -10.095 -11.548 -1.947) 15.461 4.818 ( -2.968 9.278 5.232) 11.057 5.153 ( 5.593 -1.944 0.308) 5.929 7.822 ( 10.330 1.060 -1.025) 10.434 9.773 ( -24.091 -20.704 -2.476) 31.861 11.352 ( 14.068 20.696 5.579) 25.639 17.080 ( -28.812 -6.826 1.320) 29.639 18.716 ( 20.188 3.878 -7.600) 21.917 19.997 ( 3.849 -0.651 -1.902) 4.342 ======================= Grid point 657 (250/417) ======================= q-point: ( 0.50 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.580 ( -0.000 18.769 -0.138) 18.770 2.669 ( -0.000 10.325 2.190) 10.555 3.388 ( 0.000 1.120 -1.912) 2.216 3.564 ( 0.000 -0.800 -1.239) 1.475 5.099 ( 0.000 4.869 -1.127) 4.998 5.584 ( -0.000 14.833 1.158) 14.878 8.037 ( 0.000 3.195 -2.365) 3.975 8.685 ( 0.000 -26.209 -5.893) 26.863 11.630 ( -0.000 5.979 5.147) 7.889 15.600 ( -0.000 10.829 0.152) 10.831 19.036 ( 0.000 12.314 -9.441) 15.516 20.355 ( 0.000 -13.425 -3.940) 13.991 ======================= Grid point 658 (251/417) ======================= q-point: ( 0.56 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.726 ( 0.001 15.221 0.324) 15.224 2.874 ( 9.028 10.308 2.690) 13.964 3.430 ( 2.779 0.255 -1.819) 3.331 3.583 ( 6.439 -2.259 1.018) 6.899 5.121 ( -1.339 2.991 -0.996) 3.425 5.687 ( -3.778 12.197 -0.519) 12.779 8.114 ( 3.386 1.933 -1.481) 4.171 8.508 ( 11.055 -18.374 -5.112) 22.044 11.685 ( -1.325 2.148 9.142) 9.484 15.781 ( 10.285 9.453 0.034) 13.970 19.067 ( -6.166 10.411 -7.826) 14.410 20.203 ( -3.961 -8.072 -4.130) 9.895 ======================= Grid point 659 (252/417) ======================= q-point: ( 0.62 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.897 ( 4.108 12.807 0.499) 13.459 3.129 ( 9.843 6.821 3.212) 12.399 3.428 ( -0.101 -2.570 0.917) 2.730 3.781 ( 16.664 0.532 0.173) 16.673 5.106 ( -2.565 1.151 -0.429) 2.844 5.679 ( -7.994 7.415 -2.184) 11.120 8.038 ( -6.746 -5.670 -1.839) 9.003 8.791 ( 31.677 -0.771 -3.143) 31.842 11.669 ( -5.082 -2.657 10.538) 11.998 16.125 ( 20.952 8.037 0.721) 22.452 18.975 ( -12.871 8.202 -5.776) 16.319 20.057 ( -5.277 -3.059 -3.014) 6.804 ======================= Grid point 660 (253/417) ======================= q-point: ( 0.69 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.099 ( 6.183 10.406 0.903) 12.138 3.310 ( 5.225 -0.411 0.783) 5.300 3.444 ( 4.770 0.133 4.910) 6.847 4.100 ( 19.581 2.137 -0.706) 19.710 5.054 ( -3.606 -1.331 0.418) 3.867 5.553 ( -11.614 2.569 -3.425) 12.378 7.860 ( -8.216 -2.953 -0.863) 8.773 9.386 ( 36.305 5.442 -3.245) 36.854 11.513 ( -12.109 -7.461 8.038) 16.337 16.621 ( 29.991 5.391 1.850) 30.528 18.765 ( -19.106 6.696 -2.624) 20.415 19.961 ( -3.961 0.682 -1.095) 4.166 ======================= Grid point 661 (254/417) ======================= q-point: (-0.25 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.287 ( 5.206 7.071 1.684) 8.940 3.340 ( 2.980 -3.144 -0.458) 4.356 3.586 ( 7.191 0.751 5.295) 8.961 4.444 ( 18.666 3.257 -1.362) 18.997 4.964 ( -4.190 -4.862 1.577) 6.609 5.335 ( -13.832 -0.348 -4.092) 14.428 7.725 ( -6.419 1.261 0.083) 6.542 10.015 ( 33.797 3.653 -2.640) 34.097 11.182 ( -20.209 -7.563 3.124) 21.803 17.193 ( 34.342 -1.723 1.488) 34.417 18.471 ( -23.946 8.641 1.284) 25.490 19.929 ( -1.828 2.361 0.494) 3.026 ======================= Grid point 662 (255/417) ======================= q-point: (-0.19 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.369 ( 3.246 -1.574 0.250) 3.616 3.401 ( 2.332 2.258 0.581) 3.298 3.700 ( 4.068 -0.105 3.366) 5.281 4.759 ( 15.418 4.165 -1.647) 16.056 4.819 ( -5.685 -11.509 2.062) 13.001 5.101 ( -12.089 2.047 -3.011) 12.626 7.681 ( -2.180 4.278 0.398) 4.818 10.356 ( 6.913 -28.607 1.135) 29.452 10.927 ( -3.784 23.062 -2.389) 23.492 17.590 ( 18.676 -22.830 -1.369) 29.528 18.257 ( -13.550 23.381 4.442) 27.386 19.938 ( -0.283 2.143 0.871) 2.330 ======================= Grid point 663 (256/417) ======================= q-point: (-0.12 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1034 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.405 ( 1.342 -2.505 -6.626) 7.210 3.405 ( -2.294 0.856 6.626) 7.064 3.739 ( 0.205 0.355 0.000) 0.409 4.556 ( -9.321 -16.145 -0.000) 18.643 4.986 ( -0.220 -0.382 -0.000) 0.441 5.022 ( 5.741 9.944 0.000) 11.482 7.735 ( 2.937 5.087 -0.000) 5.874 9.875 ( -18.440 -31.938 -0.000) 36.879 11.346 ( 15.346 26.580 -0.000) 30.692 17.325 ( -14.290 -24.751 -0.000) 28.580 18.517 ( 10.810 18.723 -0.000) 21.620 19.958 ( 0.571 0.988 -0.000) 1.141 ======================= Grid point 675 (257/417) ======================= q-point: ( 0.56 0.56 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.835 ( -0.000 5.237 2.069) 5.631 2.938 ( -0.000 17.204 3.352) 17.527 3.393 ( 0.000 0.719 -1.616) 1.768 3.506 ( -0.000 -5.433 3.092) 6.252 5.153 ( 0.000 2.054 -1.277) 2.419 5.818 ( 0.000 8.790 -2.249) 9.073 8.087 ( 0.000 2.896 -0.213) 2.904 8.246 ( 0.000 -14.656 -3.836) 15.150 11.745 ( -0.000 0.367 11.698) 11.704 15.766 ( 0.000 6.214 -0.463) 6.232 19.194 ( 0.000 9.436 -5.689) 11.019 20.165 ( 0.000 -3.937 -3.821) 5.486 ======================= Grid point 676 (258/417) ======================= q-point: ( 0.62 0.56 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.912 ( 4.013 3.464 1.773) 5.590 3.130 ( 3.070 12.075 5.792) 13.740 3.402 ( 0.130 -2.709 1.225) 2.976 3.545 ( 10.405 -1.868 1.715) 10.710 5.149 ( -1.635 0.841 -1.308) 2.256 5.831 ( -4.547 3.830 -3.830) 7.072 8.086 ( -4.073 -2.198 -1.566) 4.886 8.312 ( 21.310 -0.890 -0.366) 21.331 11.757 ( -3.204 -2.036 12.952) 13.496 15.905 ( 11.552 3.354 -0.276) 12.032 19.204 ( -6.772 7.792 -3.519) 10.906 20.106 ( -3.292 0.004 -2.697) 4.256 ======================= Grid point 677 (259/417) ======================= q-point: (-0.31 -0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.045 ( 8.054 1.825 1.304) 8.361 3.255 ( 2.219 -2.493 5.990) 6.857 3.415 ( 1.880 4.311 4.728) 6.669 3.789 ( 18.028 0.344 0.349) 18.035 5.105 ( -3.361 -0.649 -1.282) 3.655 5.719 ( -8.604 -0.990 -4.916) 9.959 7.983 ( -7.250 1.928 -0.664) 7.532 8.801 ( 34.690 2.347 -1.099) 34.786 11.666 ( -9.136 -4.588 10.742) 14.829 16.208 ( 22.529 -0.125 1.058) 22.554 19.101 ( -13.128 6.875 -0.513) 14.829 20.048 ( -4.496 3.021 -0.902) 5.491 ======================= Grid point 678 (260/417) ======================= q-point: (-0.25 -0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.198 ( 7.914 -0.991 -2.357) 8.317 3.255 ( 4.674 -7.603 7.694) 11.783 3.539 ( 3.087 5.862 6.883) 9.554 4.119 ( 20.609 0.155 0.170) 20.610 5.016 ( -5.175 -2.369 -1.442) 5.871 5.510 ( -11.050 -3.850 -5.216) 12.811 7.888 ( -8.392 5.856 0.269) 10.236 9.417 ( 36.619 -0.399 -2.128) 36.683 11.439 ( -15.444 -4.289 5.249) 16.867 16.626 ( 29.354 -6.113 2.073) 30.056 18.915 ( -17.808 8.263 3.340) 19.913 20.013 ( -3.987 4.449 0.859) 6.035 ======================= Grid point 679 (261/417) ======================= q-point: (-0.19 -0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.233 ( 6.013 -7.189 -1.550) 9.499 3.356 ( 6.664 -3.621 5.235) 9.215 3.655 ( 2.933 3.094 6.370) 7.665 4.450 ( 19.210 -2.300 1.269) 19.388 4.874 ( -7.167 -4.277 -3.178) 8.930 5.280 ( -10.119 -2.104 -3.887) 11.042 7.828 ( -7.162 8.479 0.854) 11.131 9.876 ( 23.079 -15.470 0.101) 27.784 11.200 ( -10.876 7.900 -1.914) 13.578 17.003 ( 26.143 -17.115 0.748) 31.256 18.733 ( -17.195 13.926 6.984) 23.203 20.002 ( -3.115 4.186 1.860) 5.539 ======================= Grid point 692 (262/417) ======================= q-point: (-0.38 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.889 ( -0.000 -1.053 1.740) 2.034 3.214 ( -0.000 1.372 8.561) 8.671 3.400 ( 0.000 0.995 -1.098) 1.482 3.451 ( -0.000 2.184 5.538) 5.953 5.163 ( 0.000 -0.014 -1.752) 1.752 5.867 ( 0.000 -1.231 -5.332) 5.472 8.116 ( 0.000 3.207 -1.022) 3.366 8.138 ( -0.000 1.599 2.066) 2.612 11.813 ( -0.000 -2.376 15.124) 15.310 15.820 ( 0.000 -0.208 -1.074) 1.094 19.317 ( 0.000 5.831 -1.618) 6.051 20.141 ( 0.000 3.067 -2.081) 3.706 ======================= Grid point 693 (263/417) ======================= q-point: (-0.31 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.918 ( 5.765 -3.514 1.489) 6.913 3.182 ( 0.559 -12.085 7.349) 14.155 3.465 ( 4.551 4.562 2.211) 6.813 3.584 ( 6.500 6.722 5.928) 11.072 5.136 ( -1.882 -1.087 -2.122) 3.037 5.775 ( -4.313 -6.102 -6.311) 9.782 8.118 ( -4.211 5.530 -0.103) 6.952 8.366 ( 20.434 6.012 1.468) 21.350 11.793 ( -5.525 -3.431 14.442) 15.839 15.900 ( 12.166 -3.561 -0.427) 12.684 19.312 ( -5.910 4.279 0.844) 7.345 20.151 ( -3.030 5.465 -1.100) 6.345 ======================= Grid point 694 (264/417) ======================= q-point: (-0.25 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.016 ( 9.744 -4.903 0.166) 10.909 3.098 ( 3.202 -15.130 6.832) 16.907 3.598 ( 2.836 5.469 6.265) 8.787 3.822 ( 14.477 2.987 3.806) 15.264 5.063 ( -3.944 -2.460 -2.746) 5.399 5.582 ( -7.084 -8.897 -6.356) 13.029 8.088 ( -6.726 7.346 0.222) 9.963 8.862 ( 30.078 5.429 -0.444) 30.567 11.651 ( -12.000 -3.956 9.780) 15.978 16.137 ( 21.864 -7.846 1.362) 23.269 19.223 ( -10.384 4.403 4.240) 12.050 20.143 ( -4.614 6.701 0.019) 8.136 ======================= Grid point 695 (265/417) ======================= q-point: (-0.19 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.031 ( 6.075 -13.714 1.501) 15.074 3.156 ( 11.132 -8.085 3.312) 14.151 3.694 ( 0.951 3.319 7.611) 8.358 4.125 ( 18.145 -0.059 3.059) 18.401 4.931 ( -6.418 -5.181 -4.579) 9.434 5.362 ( -6.792 -6.951 -4.695) 10.793 8.046 ( -7.406 8.606 0.522) 11.366 9.364 ( 25.748 -2.832 -0.641) 25.911 11.431 ( -12.401 0.655 2.610) 12.689 16.433 ( 24.312 -14.745 1.959) 28.502 19.105 ( -12.081 7.255 7.850) 16.131 20.127 ( -5.030 6.432 0.955) 8.221 ======================= Grid point 709 (266/417) ======================= q-point: (-0.31 -0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.820 ( -0.000 -7.005 1.415) 7.147 3.061 ( -0.000 -17.246 7.493) 18.804 3.412 ( 0.000 0.791 -0.757) 1.095 3.687 ( -0.000 10.551 11.334) 15.485 5.129 ( 0.000 -1.953 -2.761) 3.382 5.705 ( 0.000 -10.904 -7.184) 13.058 8.165 ( -0.000 -0.827 2.873) 2.989 8.336 ( -0.000 19.014 -0.381) 19.018 11.865 ( -0.000 -3.076 16.588) 16.871 15.747 ( 0.000 -6.344 -1.247) 6.466 19.392 ( -0.000 1.771 2.457) 3.029 20.234 ( 0.000 7.338 -1.515) 7.493 ======================= Grid point 710 (267/417) ======================= q-point: (-0.25 -0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.806 ( 7.035 -8.958 1.099) 11.443 2.916 ( 1.394 -19.431 6.558) 20.556 3.492 ( 8.564 -0.164 -0.451) 8.577 3.819 ( 0.722 7.420 12.389) 14.459 5.075 ( -2.185 -3.773 -3.739) 5.743 5.536 ( -2.987 -12.890 -6.878) 14.913 8.182 ( 0.958 -0.814 1.218) 1.750 8.625 ( 11.501 20.674 -0.351) 23.660 11.824 ( -7.834 -3.484 14.541) 16.880 15.773 ( 12.083 -9.091 -0.170) 15.122 19.378 ( -4.068 0.627 5.068) 6.529 20.279 ( -3.010 8.386 -1.922) 9.115 ======================= Grid point 711 (268/417) ======================= q-point: (-0.19 -0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.792 ( 4.627 -19.017 3.640) 19.907 2.881 ( 11.653 -10.979 1.996) 16.134 3.644 ( 8.996 -1.715 1.262) 9.244 3.953 ( 5.846 2.946 10.647) 12.499 4.944 ( -4.823 -8.911 -5.918) 11.734 5.352 ( -3.439 -8.362 -4.522) 10.109 8.174 ( -1.391 -0.065 -0.102) 1.397 9.052 ( 16.757 15.438 -0.744) 22.797 11.650 ( -12.866 -2.556 8.758) 15.772 15.942 ( 19.296 -13.058 1.499) 23.347 19.323 ( -6.054 1.719 8.338) 10.446 20.284 ( -5.099 8.261 -2.122) 9.937 ======================= Grid point 726 (269/417) ======================= q-point: (-0.25 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.646 ( -0.000 -11.989 1.168) 12.046 2.726 ( -0.000 -21.963 6.059) 22.784 3.413 ( 0.000 -0.261 -0.820) 0.861 3.912 ( -0.000 2.989 13.236) 13.569 5.025 ( 0.000 -8.505 -5.435) 10.093 5.414 ( 0.000 -11.296 -5.618) 12.616 8.136 ( -0.000 -3.952 1.539) 4.241 8.780 ( 0.000 26.566 -1.504) 26.609 11.915 ( -0.000 -3.323 16.115) 16.454 15.577 ( 0.000 -10.191 -0.765) 10.219 19.421 ( -0.000 -1.770 6.836) 7.062 20.379 ( 0.000 9.315 -4.323) 10.269 ======================= Grid point 727 (270/417) ======================= q-point: (-0.19 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.547 ( 2.444 -22.490 4.472) 23.060 2.595 ( 8.152 -14.057 1.251) 16.297 3.472 ( 7.600 -1.453 -0.836) 7.782 3.958 ( 0.672 -3.120 12.191) 12.601 4.860 ( -2.303 -17.011 -7.447) 18.712 5.320 ( -1.343 -2.550 -2.751) 3.984 8.116 ( 2.303 -5.954 -0.189) 6.386 9.081 ( 5.830 26.010 -1.558) 26.700 11.850 ( -9.446 -3.571 12.975) 16.441 15.570 ( 11.140 -11.672 0.365) 16.139 19.410 ( -1.768 -2.122 9.640) 10.027 20.425 ( -3.128 9.351 -6.463) 11.790 ======================= Grid point 743 (271/417) ======================= q-point: (-0.19 -0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.315 ( -0.000 -24.311 4.116) 24.657 2.379 ( -0.000 -16.563 0.739) 16.580 3.390 ( 0.000 -1.403 -1.117) 1.793 3.917 ( -0.000 -12.329 9.820) 15.762 4.659 ( 0.000 -22.312 -6.962) 23.373 5.336 ( 0.000 4.308 -1.028) 4.429 8.032 ( 0.000 -6.933 -1.234) 7.042 9.284 ( 0.000 26.352 -1.482) 26.393 11.942 ( -0.000 -4.109 12.419) 13.081 15.370 ( 0.000 -10.694 0.189) 10.695 19.427 ( -0.000 -3.883 12.252) 12.852 20.514 ( 0.000 9.696 -10.785) 14.502 ======================= Grid point 830 (272/417) ======================= q-point: ( 0.19 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( -0.000 0.000 20.341) 20.341 0.700 ( -0.000 0.000 20.341) 20.341 1.138 ( -0.000 0.000 35.013) 35.013 3.198 ( 0.000 -0.000 -1.656) 1.656 3.198 ( 0.000 -0.000 -1.656) 1.656 5.886 ( 0.000 -0.000 -8.320) 8.320 7.556 ( -0.000 0.000 8.646) 8.646 7.556 ( -0.000 0.000 8.646) 8.646 13.722 ( 0.000 -0.000 -0.056) 0.056 14.925 ( 0.000 -0.000 -3.152) 3.152 14.925 ( 0.000 -0.000 -3.152) 3.152 24.400 ( -0.000 0.000 0.674) 0.674 ======================= Grid point 831 (273/417) ======================= q-point: ( 0.25 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( 12.888 7.441 15.560) 21.531 0.977 ( 9.986 5.765 20.402) 23.435 1.450 ( 20.886 12.059 20.748) 31.814 3.184 ( 0.093 0.054 -1.947) 1.950 3.343 ( 11.991 6.923 -0.114) 13.846 5.821 ( -3.237 -1.869 -8.587) 9.365 7.560 ( -0.316 -0.183 7.807) 7.815 8.426 ( 56.667 32.717 -22.345) 69.144 12.611 ( -56.383 -32.553 10.340) 65.922 14.935 ( 1.367 0.789 -2.917) 3.317 16.309 ( 75.925 43.836 -31.523) 93.166 23.750 ( -48.909 -28.238 25.077) 61.792 ======================= Grid point 832 (274/417) ======================= q-point: ( 0.31 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( 9.193 5.308 16.335) 19.482 1.302 ( 17.990 10.387 9.745) 22.946 2.103 ( 31.208 18.018 6.613) 36.637 3.189 ( 0.960 0.555 -1.964) 2.256 3.679 ( 17.036 9.836 2.898) 19.884 5.692 ( -5.711 -3.297 -8.068) 10.420 7.594 ( 1.306 0.754 5.863) 6.054 9.487 ( 45.306 26.158 -25.619) 58.251 11.564 ( -40.675 -23.484 -0.992) 46.978 14.972 ( 2.941 1.698 -2.347) 4.128 17.580 ( 49.102 28.349 -32.803) 65.503 22.753 ( -47.871 -27.639 33.068) 64.413 ======================= Grid point 833 (275/417) ======================= q-point: ( 0.38 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( 14.551 8.401 7.581) 18.433 1.738 ( 18.671 10.780 5.878) 22.346 2.803 ( 30.191 17.431 0.256) 34.863 3.212 ( 1.592 0.919 -1.745) 2.535 4.078 ( 17.309 9.994 4.860) 20.570 5.526 ( -6.781 -3.915 -6.575) 10.225 7.659 ( 3.213 1.855 3.347) 4.997 10.146 ( 7.714 4.453 -3.081) 9.425 10.900 ( -4.798 -2.770 -22.855) 23.517 15.056 ( 5.352 3.090 -1.569) 6.376 18.318 ( 28.006 16.169 -25.988) 41.486 21.878 ( -40.216 -23.219 24.623) 52.562 ======================= Grid point 834 (276/417) ======================= q-point: ( 0.44 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( 18.963 10.948 0.783) 21.910 2.151 ( 17.110 9.878 3.266) 20.025 3.245 ( 1.768 1.021 -1.339) 2.442 3.404 ( 24.107 13.918 -4.452) 28.190 4.457 ( 15.116 8.727 5.499) 18.300 5.369 ( -5.297 -3.058 -3.589) 7.092 7.759 ( 5.224 3.016 0.897) 6.098 9.715 ( -29.959 -17.297 -0.965) 34.607 11.295 ( 30.785 17.774 -19.311) 40.454 15.198 ( 7.770 4.486 -0.734) 9.002 18.701 ( 14.846 8.571 -20.551) 26.762 21.140 ( -32.229 -18.608 13.684) 39.651 ======================= Grid point 835 (277/417) ======================= q-point: ( 0.50 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.361 ( 21.395 12.352 -3.709) 24.981 2.505 ( 14.094 8.137 1.342) 16.329 3.277 ( 1.423 0.821 -0.754) 1.808 3.801 ( 13.193 7.617 -9.046) 17.718 4.768 ( 11.076 6.395 4.913) 13.700 5.303 ( 0.424 0.245 1.506) 1.583 7.891 ( 6.631 3.829 -1.054) 7.729 9.061 ( -27.530 -15.894 -2.694) 31.903 11.878 ( 25.377 14.652 -12.470) 31.846 15.385 ( 8.944 5.164 0.063) 10.328 18.881 ( 7.861 4.538 -15.602) 18.050 20.559 ( -22.899 -13.221 5.640) 27.036 ======================= Grid point 836 (278/417) ======================= q-point: ( 0.56 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.775 ( 10.031 5.791 -0.300) 11.586 2.825 ( 21.846 12.613 -6.688) 26.097 3.301 ( 0.815 0.471 0.091) 0.946 3.922 ( 1.491 0.861 -11.499) 11.627 4.967 ( 5.803 3.350 3.293) 7.466 5.403 ( 6.406 3.698 6.605) 9.917 8.035 ( 6.606 3.814 -2.340) 7.978 8.512 ( -20.904 -12.069 -1.742) 24.201 12.294 ( 15.452 8.921 -12.511) 21.792 15.577 ( 7.925 4.575 0.764) 9.183 18.981 ( 5.646 3.260 -9.212) 11.286 20.182 ( -12.222 -7.056 2.053) 14.261 ======================= Grid point 837 (279/417) ======================= q-point: ( 0.62 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.937 ( 4.714 2.721 -1.900) 5.765 3.266 ( 20.023 11.560 -8.965) 24.798 3.319 ( 0.794 0.459 1.247) 1.548 3.827 ( -6.040 -3.487 -10.631) 12.715 5.062 ( 2.166 1.251 2.479) 3.522 5.564 ( 4.653 2.686 8.695) 10.221 8.155 ( 4.840 2.795 -2.920) 6.306 8.156 ( -10.373 -5.989 -0.238) 11.980 12.466 ( 4.767 2.752 -16.863) 17.739 15.723 ( 4.589 2.649 1.274) 5.449 19.092 ( 6.428 3.711 -2.014) 7.691 20.028 ( -2.701 -1.559 1.968) 3.688 ======================= Grid point 838 (280/417) ======================= q-point: (-0.31 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.964 ( -1.524 -0.880 -2.795) 3.303 3.350 ( 1.466 0.846 1.956) 2.586 3.546 ( -4.751 -2.743 -11.261) 12.527 3.688 ( 9.233 5.331 -8.357) 13.547 5.085 ( -0.629 -0.363 2.660) 2.757 5.631 ( -1.719 -0.993 9.074) 9.289 8.077 ( 3.340 1.928 1.258) 4.057 8.221 ( 1.818 1.050 -2.776) 3.481 12.418 ( -2.641 -1.525 -20.566) 20.791 15.777 ( -0.251 -0.145 1.464) 1.493 19.247 ( 7.099 4.098 2.555) 8.586 20.050 ( 3.249 1.876 3.339) 5.022 ======================= Grid point 839 (281/417) ======================= q-point: (-0.25 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.862 ( -6.619 -3.821 -2.592) 8.070 3.222 ( -16.806 -9.703 -8.023) 20.999 3.386 ( 1.023 0.591 1.805) 2.157 3.931 ( 10.828 6.252 -11.588) 17.048 5.058 ( -2.805 -1.620 3.904) 5.073 5.544 ( -8.545 -4.933 8.202) 12.831 8.216 ( -1.506 -0.869 -1.936) 2.602 8.304 ( 16.011 9.244 2.558) 18.664 12.254 ( -5.202 -3.003 -20.249) 21.121 15.721 ( -5.127 -2.960 1.248) 6.050 19.398 ( 5.305 3.063 1.994) 6.443 20.168 ( 5.769 3.331 4.702) 8.154 ======================= Grid point 840 (282/417) ======================= q-point: (-0.19 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.662 ( -10.731 -6.196 -1.898) 12.536 2.788 ( -19.929 -11.506 -6.194) 23.831 3.402 ( -0.137 -0.079 1.471) 1.480 4.042 ( 2.174 1.255 -12.356) 12.608 4.965 ( -8.866 -5.119 6.363) 12.053 5.360 ( -7.526 -4.345 5.080) 10.066 8.146 ( -4.261 -2.460 -0.529) 4.949 8.758 ( 23.021 13.291 2.921) 26.742 12.080 ( -4.653 -2.687 -16.497) 17.350 15.570 ( -8.468 -4.889 0.651) 9.800 19.474 ( 1.382 0.798 -3.404) 3.759 20.325 ( 6.665 3.848 6.386) 10.001 ======================= Grid point 847 (283/417) ======================= q-point: ( 0.25 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( -0.000 14.587 14.349) 20.461 1.030 ( -0.000 13.850 19.764) 24.134 1.509 ( -0.000 19.321 20.747) 28.350 3.213 ( 0.000 1.860 -1.656) 2.490 3.292 ( -0.000 10.968 -0.028) 10.968 5.792 ( 0.000 -3.599 -9.018) 9.709 7.673 ( -0.000 3.572 8.746) 9.447 8.279 ( 0.000 55.941 -16.616) 58.357 12.727 ( -0.000 -56.373 6.768) 56.778 14.898 ( 0.000 0.361 -3.283) 3.303 16.180 ( 0.000 80.430 -24.951) 84.211 23.825 ( -0.000 -51.767 19.804) 55.426 ======================= Grid point 848 (284/417) ======================= q-point: ( 0.31 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( 3.891 7.192 18.731) 20.438 1.263 ( 8.321 17.655 10.987) 22.398 1.938 ( 16.779 27.486 7.672) 33.104 3.214 ( -1.150 3.680 -1.832) 4.269 3.535 ( 12.420 12.781 2.598) 18.010 5.696 ( -2.872 -4.879 -8.674) 10.359 7.680 ( -4.437 5.162 7.097) 9.833 9.046 ( 32.712 41.839 -21.417) 57.264 11.942 ( -33.051 -35.419 -0.051) 48.445 14.930 ( 3.190 1.557 -2.864) 4.561 17.126 ( 34.472 52.387 -27.412) 68.441 23.140 ( -27.762 -47.913 26.587) 61.427 ======================= Grid point 849 (285/417) ======================= q-point: ( 0.38 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( 7.989 8.477 11.423) 16.315 1.647 ( 12.599 18.356 7.050) 23.353 2.550 ( 23.392 24.683 0.515) 34.011 3.237 ( -0.693 5.278 -1.545) 5.543 3.912 ( 16.123 12.004 4.718) 20.647 5.554 ( -4.750 -5.368 -7.444) 10.335 7.699 ( -1.733 5.515 4.990) 7.637 9.859 ( 31.192 23.159 -12.452) 40.796 11.109 ( -30.999 -17.422 -11.719) 37.441 15.011 ( 4.379 4.506 -2.315) 6.696 17.955 ( 28.495 28.026 -24.033) 46.637 22.293 ( -33.334 -37.888 23.258) 55.566 ======================= Grid point 850 (286/417) ======================= q-point: ( 0.44 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( 13.733 10.953 3.603) 17.932 2.054 ( 12.809 17.852 4.286) 22.386 3.128 ( 20.358 14.999 -4.175) 25.629 3.294 ( 1.846 10.073 -0.685) 10.263 4.302 ( 15.735 9.922 5.490) 19.395 5.402 ( -4.752 -4.588 -5.047) 8.313 7.763 ( 0.943 6.596 2.768) 7.215 10.012 ( -21.796 -16.311 2.299) 27.321 10.933 ( 22.283 19.631 -22.304) 37.140 15.150 ( 5.864 8.184 -1.658) 10.204 18.456 ( 17.910 13.439 -19.901) 29.957 21.496 ( -31.174 -29.080 14.607) 45.065 ======================= Grid point 851 (287/417) ======================= q-point: ( 0.50 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( 18.108 12.031 -2.130) 21.844 2.427 ( 10.814 16.398 2.262) 19.773 3.297 ( 0.586 5.117 -1.503) 5.365 3.631 ( 14.749 13.106 -6.805) 20.871 4.645 ( 13.215 7.247 5.365) 15.998 5.302 ( -1.301 -2.008 -1.010) 2.597 7.872 ( 2.887 8.070 0.788) 8.607 9.384 ( -29.419 -15.459 -1.722) 33.278 11.520 ( 28.491 15.820 -12.718) 34.982 15.347 ( 6.566 11.968 -0.946) 13.684 18.712 ( 10.833 5.044 -16.054) 20.013 20.821 ( -25.081 -20.956 6.749) 33.373 ======================= Grid point 852 (288/417) ======================= q-point: ( 0.56 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.554 ( 19.957 11.168 -5.960) 23.633 2.735 ( 8.090 14.540 0.636) 16.651 3.342 ( -0.963 5.826 -0.459) 5.923 3.856 ( 5.093 5.274 -10.350) 12.684 4.898 ( 8.328 4.237 4.179) 10.236 5.340 ( 5.672 1.142 4.185) 7.141 8.007 ( 3.455 8.165 -0.716) 8.895 8.796 ( -25.675 -9.343 -1.377) 27.357 12.014 ( 21.403 7.223 -10.704) 24.996 15.576 ( 5.093 15.024 -0.345) 15.867 18.845 ( 8.431 0.728 -10.929) 13.822 20.331 ( -15.907 -12.869 2.469) 20.609 ======================= Grid point 853 (289/417) ======================= q-point: ( 0.62 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.889 ( 8.493 7.444 -4.177) 12.041 3.034 ( 15.412 13.232 -4.960) 20.909 3.377 ( -1.752 6.586 0.172) 6.818 3.854 ( -3.472 0.711 -10.694) 11.266 5.034 ( 3.763 1.642 2.824) 4.983 5.499 ( 8.183 0.816 7.627) 11.216 8.102 ( 1.155 0.452 -1.091) 1.652 8.394 ( -17.056 4.887 -0.709) 17.756 12.274 ( 11.526 -1.647 -14.017) 18.222 15.779 ( 0.961 16.109 -0.029) 16.138 18.964 ( 9.495 -0.610 -4.244) 10.418 20.071 ( -5.827 -5.658 1.643) 8.287 ======================= Grid point 854 (290/417) ======================= q-point: ( 0.69 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.993 ( -0.435 4.720 -2.990) 5.604 3.369 ( 7.083 6.805 -1.121) 9.887 3.433 ( 6.329 7.747 -7.968) 12.789 3.717 ( -8.261 0.673 -8.447) 11.834 5.085 ( 0.993 -0.594 2.498) 2.753 5.627 ( 3.861 -2.498 8.806) 9.935 8.045 ( -0.081 -4.445 0.734) 4.506 8.338 ( -6.887 16.658 -1.789) 18.115 12.288 ( 3.514 -8.398 -18.295) 20.435 15.897 ( -4.751 14.459 0.091) 15.220 19.125 ( 10.819 -0.333 1.171) 10.887 20.021 ( 1.901 -0.862 2.431) 3.205 ======================= Grid point 855 (291/417) ======================= q-point: (-0.25 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.959 ( -6.345 2.454 -2.530) 7.258 3.334 ( -9.840 -6.365 -5.976) 13.155 3.483 ( -5.443 7.396 -1.494) 9.304 3.770 ( 10.741 8.234 -10.681) 17.242 5.080 ( -0.880 -2.380 3.160) 4.053 5.619 ( -3.316 -6.370 8.662) 11.252 8.106 ( 8.610 -0.328 1.063) 8.682 8.390 ( -5.401 18.221 -0.984) 19.031 12.150 ( 0.238 -11.479 -19.374) 22.521 15.894 ( -10.295 10.861 0.156) 14.966 19.301 ( 9.311 -0.338 2.001) 9.530 20.105 ( 6.028 1.279 3.255) 6.970 ======================= Grid point 856 (292/417) ======================= q-point: (-0.19 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.820 ( -11.433 0.990 -1.680) 11.598 2.984 ( -18.107 -9.045 -6.887) 21.380 3.483 ( -4.602 7.626 1.194) 8.986 3.947 ( 6.772 4.142 -12.776) 15.041 5.032 ( -3.120 -4.383 4.792) 7.204 5.465 ( -8.760 -8.107 7.041) 13.858 8.191 ( -0.585 -0.470 -0.560) 0.936 8.614 ( 11.409 20.247 1.816) 23.311 11.982 ( 0.627 -11.428 -16.686) 20.234 15.772 ( -14.275 6.909 0.038) 15.859 19.415 ( 4.860 -1.311 -2.157) 5.476 20.248 ( 7.777 1.764 4.025) 8.933 ======================= Grid point 864 (293/417) ======================= q-point: ( 0.31 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( -0.000 8.142 18.433) 20.151 1.390 ( -0.000 17.879 8.585) 19.833 2.123 ( -0.000 33.839 3.142) 33.985 3.244 ( 0.000 2.521 -1.832) 3.116 3.597 ( -0.000 18.651 4.362) 19.155 5.638 ( 0.000 -6.002 -8.496) 10.402 7.794 ( -0.000 3.562 5.926) 6.914 9.137 ( 0.000 44.099 -16.010) 46.915 11.856 ( 0.000 -36.369 -6.431) 36.933 14.907 ( 0.000 2.888 -2.440) 3.780 17.300 ( 0.000 54.297 -22.994) 58.965 22.945 ( -0.000 -53.709 23.332) 58.558 ======================= Grid point 865 (294/417) ======================= q-point: ( 0.38 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( 1.972 9.490 12.220) 15.597 1.674 ( 8.957 18.535 6.974) 21.735 2.538 ( 10.251 31.391 -1.604) 33.061 3.278 ( 1.272 4.055 -1.833) 4.628 3.867 ( 7.680 18.469 6.153) 20.927 5.532 ( -2.304 -6.297 -7.479) 10.045 7.814 ( -2.852 4.659 4.134) 6.850 9.640 ( 18.963 28.780 -8.457) 35.488 11.330 ( -20.649 -22.216 -14.257) 33.514 14.975 ( 4.196 5.153 -2.129) 6.978 17.826 ( 14.875 37.127 -19.974) 44.706 22.371 ( -16.784 -47.472 19.399) 53.959 ======================= Grid point 866 (295/417) ======================= q-point: ( 0.44 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( 7.110 11.769 5.237) 14.714 2.054 ( 11.795 19.266 5.056) 23.149 2.997 ( 13.775 21.909 -5.031) 26.364 3.358 ( 2.488 8.257 -1.103) 8.694 4.209 ( 10.767 15.246 6.431) 19.741 5.404 ( -3.328 -5.368 -5.517) 8.386 7.845 ( -0.962 6.642 2.837) 7.286 10.039 ( 4.817 -6.346 3.192) 8.583 10.888 ( -6.025 10.618 -21.669) 24.871 15.125 ( 6.601 9.107 -2.143) 11.450 18.283 ( 13.632 20.349 -17.480) 30.091 21.675 ( -22.962 -37.980 12.641) 46.147 ======================= Grid point 867 (296/417) ======================= q-point: ( 0.50 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( 12.363 13.150 -0.495) 18.056 2.441 ( 10.477 19.137 3.524) 22.100 3.288 ( 6.045 7.324 -5.063) 10.761 3.564 ( 8.842 15.808 -3.072) 18.371 4.538 ( 10.993 10.976 5.786) 16.577 5.301 ( -2.049 -3.003 -2.464) 4.391 7.931 ( 1.250 8.773 1.757) 9.034 9.671 ( -22.669 -17.980 -1.148) 28.956 11.218 ( 21.714 19.643 -10.822) 31.217 15.353 ( 8.125 14.333 -1.954) 16.591 18.550 ( 9.069 8.517 -15.312) 19.729 21.006 ( -22.386 -28.211 5.797) 36.477 ======================= Grid point 868 (297/417) ======================= q-point: ( 0.56 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.351 ( 15.964 13.105 -4.508) 21.140 2.776 ( 7.209 17.776 2.164) 19.304 3.388 ( 2.057 4.982 -2.953) 6.146 3.814 ( 5.626 11.327 -7.023) 14.466 4.812 ( 9.317 6.672 4.987) 12.498 5.282 ( 2.439 -0.428 1.427) 2.858 8.048 ( 1.719 8.127 0.680) 8.335 9.137 ( -24.088 -7.873 -1.325) 25.377 11.700 ( 21.079 8.904 -6.061) 23.671 15.646 ( 7.566 19.988 -1.631) 21.434 18.674 ( 7.177 0.778 -12.073) 14.067 20.463 ( -16.868 -18.590 1.544) 25.149 ======================= Grid point 869 (298/417) ======================= q-point: ( 0.62 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.724 ( 16.224 11.453 -6.890) 21.020 3.032 ( 4.387 15.305 0.497) 15.929 3.449 ( 0.729 4.653 -1.863) 5.065 3.907 ( -2.027 8.069 -8.242) 11.712 4.993 ( 4.973 3.065 3.372) 6.745 5.380 ( 7.931 -0.743 5.318) 9.578 8.097 ( -1.229 -1.649 -0.164) 2.063 8.782 ( -18.580 11.081 0.388) 21.637 12.001 ( 13.616 -2.287 -7.793) 15.854 15.949 ( 3.149 24.332 -1.722) 24.595 18.758 ( 9.465 -3.781 -6.685) 12.189 20.120 ( -8.374 -9.848 0.450) 12.935 ======================= Grid point 870 (299/417) ======================= q-point: ( 0.69 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.006 ( 6.826 8.329 -5.330) 12.016 3.254 ( 8.705 12.157 -4.037) 15.487 3.482 ( -1.110 3.039 -2.057) 3.834 3.875 ( -7.908 9.413 -6.539) 13.925 5.066 ( 1.534 -0.134 2.110) 2.612 5.522 ( 7.901 -3.962 7.588) 11.649 8.000 ( -1.771 -8.040 0.320) 8.239 8.722 ( -13.058 25.903 0.911) 29.023 12.057 ( 5.810 -11.458 -12.160) 17.689 16.172 ( -4.705 24.968 -2.250) 25.507 18.892 ( 13.594 -5.359 -0.917) 14.641 19.991 ( -0.274 -3.563 1.024) 3.718 ======================= Grid point 871 (300/417) ======================= q-point: (-0.25 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.079 ( -3.374 6.147 -2.354) 7.397 3.412 ( -6.293 -2.190 -7.012) 9.673 3.508 ( 9.136 8.200 -5.117) 13.300 3.827 ( -7.681 13.979 -3.936) 16.429 5.069 ( 0.000 -2.886 2.196) 3.626 5.585 ( 2.692 -7.673 8.086) 11.467 7.968 ( 5.709 -4.390 0.777) 7.244 8.778 ( -13.107 28.768 1.086) 31.631 11.934 ( 2.169 -16.372 -14.494) 21.973 16.242 ( -12.674 21.434 -2.318) 25.009 19.083 ( 14.620 -5.107 1.191) 15.532 20.023 ( 5.030 -0.486 1.513) 5.275 ======================= Grid point 872 (301/417) ======================= q-point: (-0.19 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.019 ( -9.179 4.262 -0.694) 10.144 3.170 ( -14.966 -4.365 -7.185) 17.166 3.643 ( -0.678 7.548 -2.693) 8.043 3.881 ( 0.641 11.743 -7.985) 14.215 5.032 ( -0.959 -5.019 3.447) 6.164 5.513 ( -3.998 -9.869 7.247) 12.880 8.087 ( 9.966 -1.920 0.357) 10.155 8.853 ( -9.744 27.879 1.451) 29.569 11.765 ( 2.853 -16.294 -12.715) 20.864 16.153 ( -18.320 15.813 -1.850) 24.271 19.254 ( 10.872 -4.707 -1.854) 11.991 20.135 ( 7.702 0.137 1.462) 7.841 ======================= Grid point 881 (302/417) ======================= q-point: ( 0.38 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( -0.000 10.762 10.395) 14.962 1.779 ( -0.000 17.845 4.994) 18.530 2.759 ( 0.000 31.429 -3.879) 31.667 3.283 ( 0.000 2.796 -2.095) 3.494 4.034 ( -0.000 22.361 7.327) 23.531 5.465 ( 0.000 -6.299 -6.660) 9.167 7.881 ( -0.000 2.877 1.632) 3.307 9.720 ( 0.000 20.025 -0.641) 20.036 11.246 ( 0.000 -15.709 -21.003) 26.228 14.986 ( 0.000 6.790 -1.062) 6.873 18.005 ( 0.000 34.531 -16.400) 38.227 22.100 ( -0.000 -47.654 14.788) 49.896 ======================= Grid point 882 (303/417) ======================= q-point: ( 0.44 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( 1.438 13.012 5.229) 14.097 2.056 ( 10.044 17.347 4.402) 20.523 3.059 ( 4.310 24.204 -5.421) 25.176 3.345 ( 4.753 4.470 -1.900) 6.796 4.301 ( 2.997 21.560 6.984) 22.860 5.376 ( -1.566 -4.980 -5.000) 7.228 7.911 ( 0.183 3.964 0.371) 3.985 9.885 ( 5.914 -6.611 4.242) 9.832 11.030 ( -6.724 7.863 -21.820) 24.148 15.104 ( 5.217 9.453 -1.025) 10.846 18.294 ( 5.019 24.370 -14.337) 28.716 21.611 ( -11.044 -41.309 9.213) 43.741 ======================= Grid point 883 (304/417) ======================= q-point: ( 0.50 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( 6.044 14.623 0.547) 15.832 2.433 ( 12.994 17.039 3.927) 21.785 3.273 ( 3.156 10.923 -5.772) 12.751 3.537 ( 9.837 10.653 -2.067) 14.647 4.569 ( 3.881 17.532 5.381) 18.745 5.298 ( -1.776 -2.243 -2.596) 3.863 7.983 ( 2.293 6.517 0.363) 6.918 9.718 ( -6.949 -22.898 -1.400) 23.970 11.145 ( 7.427 21.589 -9.199) 24.615 15.332 ( 9.490 13.645 -1.498) 16.688 18.503 ( 3.376 13.716 -13.275) 19.384 21.049 ( -15.748 -32.183 3.642) 36.014 ======================= Grid point 884 (305/417) ======================= q-point: ( 0.56 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( 10.475 15.102 -2.736) 18.581 2.809 ( 10.816 16.428 3.432) 19.966 3.369 ( 2.516 4.626 -4.932) 7.215 3.797 ( 8.914 10.757 -3.548) 14.414 4.793 ( 4.404 11.519 4.118) 13.001 5.267 ( -0.366 0.549 -0.017) 0.659 8.091 ( 1.956 6.114 0.361) 6.430 9.351 ( -12.261 -12.890 -2.972) 18.037 11.492 ( 13.766 12.364 -1.056) 18.534 15.667 ( 12.238 19.373 -1.567) 22.968 18.584 ( 1.266 4.856 -11.851) 12.870 20.534 ( -14.811 -22.267 -0.092) 26.743 ======================= Grid point 885 (306/417) ======================= q-point: ( 0.62 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.581 ( 13.063 14.279 -4.760) 19.930 3.111 ( 5.783 15.188 2.466) 16.438 3.426 ( 3.003 1.401 -4.056) 5.238 3.987 ( 2.873 11.055 -4.782) 12.383 4.964 ( 4.426 5.879 3.655) 8.216 5.293 ( 2.667 -0.037 2.237) 3.481 8.106 ( -2.852 -3.513 -0.238) 4.531 9.135 ( -9.442 9.175 -0.409) 13.172 11.762 ( 10.934 -0.452 -0.696) 10.966 16.078 ( 10.902 25.793 -1.606) 28.048 18.586 ( 2.826 -2.618 -8.510) 9.341 20.159 ( -9.456 -12.811 -1.112) 15.962 ======================= Grid point 886 (307/417) ======================= q-point: ( 0.69 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.907 ( 12.260 12.003 -5.476) 18.010 3.297 ( 1.167 11.364 -0.525) 11.435 3.478 ( 2.975 1.299 -2.523) 4.111 4.079 ( -3.771 13.638 -4.341) 14.801 5.057 ( 0.990 1.750 1.817) 2.710 5.367 ( 7.077 -4.548 5.213) 9.897 7.962 ( -4.201 -9.958 -0.108) 10.808 9.183 ( -8.392 26.997 1.902) 28.335 11.821 ( 4.810 -12.115 -4.801) 13.891 16.463 ( 2.430 30.414 -2.587) 30.620 18.608 ( 9.686 -8.544 -3.274) 13.324 19.972 ( -2.521 -5.452 -0.426) 6.022 ======================= Grid point 887 (308/417) ======================= q-point: ( 0.75 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.138 ( 4.248 8.244 -2.851) 9.702 3.393 ( 2.947 4.341 -7.231) 8.935 3.514 ( -1.071 4.979 -1.220) 5.237 4.111 ( -7.977 16.630 -2.309) 18.588 5.052 ( -1.072 -2.358 0.677) 2.677 5.447 ( 6.873 -8.835 6.902) 13.151 7.847 ( 1.768 -7.657 0.293) 7.864 9.318 ( -12.728 33.479 3.156) 35.955 11.688 ( 1.610 -19.582 -8.456) 21.390 16.677 ( -10.562 29.219 -3.568) 31.273 18.737 ( 17.306 -10.711 0.096) 20.353 19.948 ( 2.944 -1.418 0.155) 3.271 ======================= Grid point 888 (309/417) ======================= q-point: (-0.19 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.181 ( -5.166 4.099 0.954) 6.663 3.338 ( -9.004 1.104 -8.186) 12.219 3.604 ( 5.498 5.758 -5.964) 9.948 4.125 ( -9.506 17.777 -1.270) 20.199 5.000 ( -0.706 -5.767 1.748) 6.067 5.451 ( 2.148 -10.918 6.530) 12.902 7.889 ( 9.480 -3.911 0.013) 10.255 9.391 ( -17.698 31.543 3.016) 36.295 11.505 ( 3.800 -19.393 -7.603) 21.174 16.651 ( -20.315 22.204 -2.965) 30.240 18.942 ( 17.943 -9.234 -1.968) 20.275 20.019 ( 6.058 -0.408 -0.270) 6.078 ======================= Grid point 898 (310/417) ======================= q-point: ( 0.44 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( -0.000 14.319 3.687) 14.786 2.134 ( -0.000 16.384 3.206) 16.694 3.234 ( 0.000 20.769 -4.772) 21.310 3.321 ( 0.000 2.635 -2.310) 3.504 4.521 ( -0.000 22.902 5.778) 23.619 5.334 ( 0.000 -2.950 -3.580) 4.639 7.930 ( 0.000 2.565 -1.887) 3.185 9.734 ( -0.000 -19.392 2.452) 19.546 11.120 ( 0.000 15.948 -17.556) 23.718 15.151 ( -0.000 10.560 0.044) 10.560 18.445 ( 0.000 22.347 -12.068) 25.398 21.337 ( -0.000 -38.449 5.114) 38.788 ======================= Grid point 899 (311/417) ======================= q-point: ( 0.50 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( 1.006 15.883 0.892) 15.940 2.393 ( 10.502 15.176 3.170) 18.725 3.333 ( -0.040 7.317 -3.835) 8.262 3.460 ( 7.840 9.352 -2.202) 12.400 4.744 ( -0.147 19.534 3.244) 19.803 5.306 ( -1.030 1.020 -1.506) 2.090 7.979 ( 3.424 3.962 -2.026) 5.615 9.508 ( 0.323 -27.448 -2.994) 27.613 11.261 ( 1.208 20.127 -6.420) 21.161 15.315 ( 6.590 12.597 -0.141) 14.217 18.595 ( -0.748 16.687 -11.011) 20.006 20.942 ( -7.538 -31.431 1.043) 32.339 ======================= Grid point 900 (312/417) ======================= q-point: ( 0.56 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.273 ( 4.897 16.662 -1.146) 17.404 2.751 ( 13.788 13.510 3.257) 19.576 3.384 ( 0.169 5.009 -3.722) 6.243 3.690 ( 11.597 6.144 -1.289) 13.188 4.900 ( -0.565 12.934 1.193) 13.001 5.312 ( -1.934 5.354 0.155) 5.695 8.092 ( 4.218 4.781 -1.092) 6.468 9.251 ( 1.288 -21.848 -5.355) 22.532 11.478 ( 4.605 14.166 2.728) 15.144 15.614 ( 13.243 15.963 -0.435) 20.746 18.649 ( -4.127 10.297 -10.343) 15.167 20.525 ( -10.546 -22.547 -1.794) 24.956 ======================= Grid point 901 (313/417) ======================= q-point: ( 0.62 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.538 ( 8.388 16.296 -2.213) 18.461 3.101 ( 12.181 11.476 3.129) 17.025 3.405 ( -0.409 2.299 -3.092) 3.875 3.942 ( 11.501 6.606 -1.697) 13.371 4.994 ( 0.649 6.656 1.514) 6.857 5.327 ( -3.200 5.554 0.277) 6.416 8.119 ( -2.931 -3.681 -0.968) 4.804 9.189 ( 7.764 -0.948 -3.562) 8.594 11.656 ( 3.991 2.912 5.574) 7.448 16.052 ( 18.198 20.710 -0.137) 27.570 18.593 ( -6.444 3.748 -8.731) 11.481 20.179 ( -8.909 -13.514 -2.469) 16.374 ======================= Grid point 902 (314/417) ======================= q-point: ( 0.69 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.833 ( 9.901 14.558 -2.659) 17.805 3.377 ( 4.956 10.627 2.656) 12.023 3.404 ( 2.817 -0.662 -2.855) 4.066 4.169 ( 6.669 10.134 -2.438) 12.374 5.065 ( 1.859 2.028 2.424) 3.667 5.305 ( -2.848 0.347 0.519) 2.915 7.952 ( -6.411 -10.103 -0.721) 11.987 9.425 ( 8.481 19.077 -0.773) 20.891 11.669 ( -0.563 -9.703 2.677) 10.081 16.583 ( 17.150 26.654 -0.217) 31.695 18.471 ( -4.271 -4.139 -5.266) 7.944 19.970 ( -4.237 -5.970 -1.481) 7.469 ======================= Grid point 903 (315/417) ======================= q-point: ( 0.75 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.106 ( 8.305 11.272 -2.131) 14.162 3.389 ( -0.293 0.835 -3.069) 3.194 3.560 ( 2.905 7.171 0.392) 7.747 4.334 ( 0.039 14.395 -1.718) 14.497 5.080 ( -2.969 0.064 -0.425) 3.000 5.272 ( 3.899 -8.686 4.201) 10.407 7.776 ( -2.668 -8.463 -0.103) 8.874 9.757 ( 1.097 30.268 1.827) 30.343 11.479 ( -3.577 -20.876 -2.247) 21.300 17.055 ( 3.267 32.432 -1.865) 32.649 18.383 ( 6.990 -13.567 -1.102) 15.301 19.905 ( 0.495 -1.400 -0.461) 1.555 ======================= Grid point 904 (316/417) ======================= q-point: (-0.19 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.272 ( 0.399 5.621 2.339) 6.101 3.388 ( 0.501 2.360 -7.741) 8.109 3.625 ( -1.503 6.198 -2.386) 6.810 4.435 ( -5.984 17.365 0.072) 18.368 4.979 ( -4.234 -5.267 -1.360) 6.894 5.286 ( 6.537 -11.860 5.663) 14.678 7.726 ( 4.560 -4.627 -0.142) 6.498 9.985 ( -13.417 32.122 3.233) 34.961 11.218 ( 2.985 -24.145 -3.808) 24.625 17.212 ( -18.750 27.675 -2.256) 33.505 18.485 ( 21.659 -14.655 -1.424) 26.190 19.935 ( 3.506 0.036 -0.633) 3.563 ======================= Grid point 915 (317/417) ======================= q-point: ( 0.50 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.231 ( -0.000 17.242 0.778) 17.260 2.444 ( -0.000 13.870 2.648) 14.120 3.350 ( 0.000 2.063 -2.375) 3.146 3.491 ( 0.000 8.690 -1.472) 8.814 4.922 ( -0.000 14.727 0.189) 14.728 5.351 ( -0.000 7.387 0.189) 7.389 7.965 ( 0.000 3.114 -2.988) 4.315 9.209 ( 0.000 -29.880 -5.352) 30.355 11.422 ( -0.000 17.508 -0.373) 17.512 15.375 ( -0.000 12.223 0.328) 12.228 18.733 ( 0.000 15.998 -9.439) 18.575 20.722 ( 0.000 -26.582 -1.504) 26.625 ======================= Grid point 916 (318/417) ======================= q-point: ( 0.56 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.397 ( 0.241 17.836 0.479) 17.844 2.675 ( 10.306 12.204 2.786) 16.215 3.393 ( 2.671 2.600 -2.515) 4.497 3.583 ( 5.152 3.329 0.820) 6.189 5.019 ( -0.983 8.314 -1.360) 8.482 5.435 ( -2.159 12.135 0.347) 12.330 8.042 ( 5.591 4.230 -2.118) 7.324 8.935 ( 3.768 -27.069 -6.451) 28.081 11.585 ( 0.723 12.378 6.353) 13.932 15.563 ( 8.516 12.764 0.157) 15.345 18.810 ( -4.347 13.172 -8.518) 16.277 20.445 ( -5.216 -19.404 -3.269) 20.357 ======================= Grid point 917 (319/417) ======================= q-point: ( 0.62 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.598 ( 3.587 17.324 0.485) 17.698 2.990 ( 13.007 9.392 2.775) 16.281 3.433 ( -0.146 1.918 -1.007) 2.171 3.763 ( 13.117 2.007 0.935) 13.303 5.056 ( -1.147 4.448 -0.813) 4.665 5.486 ( -5.427 11.012 -1.092) 12.326 8.122 ( -0.863 -1.711 -1.555) 2.468 8.879 ( 17.790 -11.498 -5.318) 21.840 11.700 ( -0.766 4.486 9.963) 10.953 15.910 ( 17.721 14.159 0.601) 22.690 18.777 ( -9.658 9.639 -7.407) 15.526 20.179 ( -6.902 -11.663 -3.453) 13.985 ======================= Grid point 918 (320/417) ======================= q-point: ( 0.69 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.842 ( 6.220 15.750 0.586) 16.944 3.273 ( 10.828 4.659 1.502) 11.883 3.438 ( -0.244 2.117 1.494) 2.602 4.038 ( 15.480 4.179 -0.156) 16.034 5.067 ( -0.466 0.833 0.697) 1.183 5.448 ( -8.674 6.589 -2.556) 11.188 7.975 ( -7.365 -8.439 -1.330) 11.280 9.241 ( 26.434 7.093 -3.613) 27.607 11.679 ( -5.997 -5.124 8.711) 11.752 16.419 ( 25.338 15.960 1.660) 29.991 18.630 ( -14.060 5.461 -5.251) 15.971 19.989 ( -5.074 -4.852 -2.123) 7.334 ======================= Grid point 919 (321/417) ======================= q-point: ( 0.75 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.093 ( 6.735 12.850 0.470) 14.515 3.375 ( 1.397 -1.057 -0.246) 1.770 3.549 ( 6.195 5.295 2.695) 8.583 4.330 ( 12.653 7.602 -0.891) 14.788 5.064 ( 1.259 -3.579 2.471) 4.528 5.310 ( -10.928 0.927 -3.372) 11.474 7.777 ( -6.293 -6.538 -0.423) 9.084 9.778 ( 24.111 17.214 -2.344) 29.718 11.447 ( -12.981 -14.968 4.220) 20.257 17.037 ( 27.749 18.155 1.793) 33.209 18.388 ( -16.210 -0.495 -2.220) 16.369 19.905 ( -1.791 -0.368 -0.532) 1.904 ======================= Grid point 920 (322/417) ======================= q-point: ( 0.81 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1032 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.296 ( 4.882 8.455 0.000) 9.763 3.379 ( 0.034 0.058 -0.000) 0.068 3.674 ( 2.291 3.967 -0.000) 4.581 4.582 ( 6.626 11.477 -0.000) 13.253 5.059 ( -1.463 -2.534 -0.000) 2.926 5.097 ( -5.767 -9.989 0.000) 11.534 7.664 ( -1.527 -2.644 -0.000) 3.053 10.320 ( 15.227 26.374 -0.000) 30.454 11.015 ( -14.769 -25.581 -0.000) 29.539 17.641 ( 15.236 26.390 -0.000) 30.473 18.087 ( -8.389 -14.530 -0.000) 16.778 19.904 ( 0.733 1.270 -0.000) 1.466 ======================= Grid point 933 (323/417) ======================= q-point: ( 0.56 0.56 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.590 ( -0.000 19.281 2.282) 19.416 2.694 ( -0.000 10.163 2.638) 10.500 3.367 ( 0.000 1.336 -2.256) 2.622 3.573 ( -0.000 0.098 3.091) 3.092 5.083 ( 0.000 5.031 -1.993) 5.412 5.585 ( 0.000 13.892 -1.020) 13.930 8.017 ( 0.000 3.919 -1.608) 4.236 8.623 ( 0.000 -25.564 -6.115) 26.285 11.711 ( -0.000 8.543 10.715) 13.704 15.600 ( -0.000 10.627 -0.143) 10.627 18.952 ( 0.000 13.048 -7.114) 14.861 20.314 ( 0.000 -13.980 -4.198) 14.597 ======================= Grid point 934 (324/417) ======================= q-point: ( 0.62 0.56 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.743 ( -0.642 15.606 3.042) 15.913 2.905 ( 9.151 10.780 3.387) 14.540 3.414 ( 3.572 1.043 -1.522) 4.020 3.609 ( 5.470 -2.056 4.240) 7.220 5.107 ( -1.049 3.215 -1.725) 3.796 5.670 ( -3.783 11.154 -2.891) 12.127 8.102 ( 2.895 2.116 -0.983) 3.718 8.459 ( 11.442 -16.683 -4.585) 20.743 11.802 ( -1.550 3.374 13.806) 14.296 15.781 ( 10.643 9.331 -0.050) 14.154 18.998 ( -6.266 11.535 -5.878) 14.382 20.162 ( -3.712 -7.844 -4.040) 9.572 ======================= Grid point 935 (325/417) ======================= q-point: ( 0.69 0.56 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.915 ( 3.575 12.862 3.056) 13.695 3.165 ( 9.023 7.837 3.934) 12.582 3.445 ( 0.677 -1.186 2.037) 2.452 3.790 ( 15.677 0.032 1.799) 15.780 5.099 ( -1.940 1.101 -1.082) 2.479 5.646 ( -7.899 6.584 -4.440) 11.201 8.021 ( -6.569 -5.438 -1.621) 8.680 8.761 ( 31.056 0.422 -2.781) 31.183 11.789 ( -6.546 -2.789 13.214) 15.008 16.135 ( 21.688 8.090 1.290) 23.184 18.926 ( -12.703 9.883 -4.060) 16.599 20.029 ( -4.697 -2.316 -2.605) 5.849 ======================= Grid point 936 (326/417) ======================= q-point: ( 0.75 0.56 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.114 ( 5.716 9.853 1.992) 11.564 3.334 ( 3.241 1.176 4.266) 5.485 3.489 ( 5.375 1.241 3.691) 6.637 4.098 ( 18.947 1.996 0.419) 19.057 5.056 ( -2.524 -1.847 -0.080) 3.128 5.509 ( -11.407 2.038 -5.406) 12.787 7.852 ( -7.878 -2.476 -0.645) 8.283 9.351 ( 35.867 5.812 -3.488) 36.502 11.599 ( -14.530 -8.547 8.989) 19.104 16.645 ( 30.311 5.357 2.815) 30.910 18.745 ( -18.640 8.941 -1.413) 20.721 19.952 ( -3.393 1.524 -0.655) 3.777 ======================= Grid point 951 (327/417) ======================= q-point: ( 0.62 0.62 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.858 ( -0.000 4.951 2.623) 5.603 2.990 ( -0.000 18.745 6.823) 19.948 3.375 ( 0.000 1.057 -1.957) 2.225 3.553 ( -0.000 -5.192 6.242) 8.119 5.137 ( 0.000 2.191 -1.979) 2.952 5.783 ( 0.000 7.856 -4.709) 9.159 8.090 ( -0.000 3.825 0.901) 3.929 8.209 ( 0.000 -13.183 -3.441) 13.625 11.891 ( -0.000 0.931 17.048) 17.073 15.759 ( 0.000 5.992 -0.899) 6.059 19.141 ( 0.000 10.789 -4.650) 11.749 20.126 ( 0.000 -3.239 -3.962) 5.117 ======================= Grid point 952 (328/417) ======================= q-point: ( 0.69 0.62 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.934 ( 3.961 2.934 2.573) 5.560 3.204 ( 2.395 14.116 8.792) 16.802 3.411 ( 2.191 -0.987 0.261) 2.418 3.577 ( 8.264 -3.503 4.658) 10.112 5.133 ( -1.437 0.779 -1.992) 2.577 5.781 ( -4.440 3.137 -6.123) 8.188 8.070 ( -4.065 -1.957 -1.600) 4.786 8.313 ( 20.393 0.774 0.527) 20.415 11.911 ( -4.489 -2.401 17.453) 18.180 15.902 ( 12.334 3.246 -0.344) 12.759 19.171 ( -6.518 9.542 -3.148) 11.977 20.077 ( -2.876 0.948 -2.948) 4.226 ======================= Grid point 954 (329/417) ======================= q-point: (-0.25 -0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.059 ( 7.528 1.069 1.670) 7.784 3.329 ( 1.188 -3.540 8.500) 9.284 3.462 ( 2.567 7.507 4.558) 9.150 3.799 ( 17.290 0.272 1.772) 17.382 5.089 ( -2.963 -1.036 -1.860) 3.648 5.660 ( -8.333 -1.341 -6.833) 10.860 7.976 ( -6.976 2.531 -0.796) 7.463 8.789 ( 33.167 2.935 -1.226) 33.319 11.791 ( -11.872 -5.910 13.729) 19.088 16.222 ( 23.573 -0.189 1.713) 23.636 19.094 ( -12.469 9.133 -0.856) 15.480 20.037 ( -3.800 3.885 -1.278) 5.582 ======================= Grid point 970 (330/417) ======================= q-point: (-0.31 -0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.909 ( -0.000 -1.460 2.387) 2.798 3.313 ( -0.000 0.398 11.019) 11.027 3.386 ( 0.000 1.387 -1.548) 2.078 3.517 ( -0.000 4.311 7.641) 8.773 5.141 ( 0.000 -0.167 -2.499) 2.504 5.803 ( 0.000 -1.705 -7.406) 7.599 8.104 ( 0.000 4.079 -1.327) 4.290 8.163 ( -0.000 2.092 2.722) 3.433 11.990 ( -0.000 -3.063 19.977) 20.210 15.807 ( 0.000 -0.277 -1.422) 1.448 19.297 ( 0.000 7.764 -2.221) 8.075 20.116 ( 0.000 3.947 -2.896) 4.895 ======================= Grid point 971 (331/417) ======================= q-point: (-0.25 -0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.936 ( 5.543 -3.916 2.043) 7.088 3.261 ( -0.115 -12.916 8.004) 15.195 3.476 ( 7.974 2.258 0.387) 8.296 3.665 ( 3.129 10.912 9.797) 14.995 5.110 ( -1.776 -1.435 -2.879) 3.675 5.703 ( -4.102 -6.236 -7.922) 10.884 8.115 ( -4.491 6.594 -0.601) 8.001 8.379 ( 19.549 5.492 1.244) 20.344 11.959 ( -7.639 -4.678 18.309) 20.382 15.896 ( 13.223 -3.526 -0.353) 13.689 19.314 ( -5.405 6.580 -0.562) 8.534 20.133 ( -2.517 5.997 -2.333) 6.909 ======================= Grid point 988 (332/417) ======================= q-point: (-0.25 -0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.838 ( -0.000 -7.375 2.122) 7.674 3.140 ( -0.000 -18.303 8.166) 20.042 3.402 ( 0.000 1.032 -1.338) 1.690 3.808 ( -0.000 11.724 12.537) 17.165 5.097 ( 0.000 -2.449 -3.685) 4.425 5.627 ( 0.000 -10.619 -8.209) 13.422 8.193 ( -0.000 -1.122 2.602) 2.834 8.325 ( 0.000 18.955 -1.653) 19.027 12.050 ( -0.000 -4.499 19.934) 20.435 15.734 ( 0.000 -6.160 -1.351) 6.307 19.406 ( -0.000 4.341 0.340) 4.354 20.209 ( 0.000 7.273 -3.385) 8.022 ======================= Grid point 1109 (333/417) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 417 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( -0.000 0.000 17.158) 17.158 0.888 ( -0.000 0.000 17.158) 17.158 1.471 ( -0.000 0.000 31.268) 31.268 3.180 ( 0.000 -0.000 -1.868) 1.868 3.180 ( 0.000 -0.000 -1.868) 1.868 5.795 ( 0.000 -0.000 -9.630) 9.630 7.648 ( -0.000 0.000 9.420) 9.420 7.648 ( -0.000 0.000 9.420) 9.420 13.721 ( 0.000 -0.000 -0.062) 0.062 14.891 ( 0.000 -0.000 -3.483) 3.483 14.891 ( 0.000 -0.000 -3.483) 3.483 24.407 ( -0.000 0.000 0.728) 0.728 ======================= Grid point 1110 (334/417) ======================= q-point: ( 0.31 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( 10.534 6.082 13.901) 18.471 1.168 ( 12.349 7.129 17.427) 22.517 1.652 ( 11.419 6.593 19.272) 23.351 3.165 ( 0.082 0.048 -1.797) 1.800 3.342 ( 13.315 7.687 -0.067) 15.375 5.730 ( -2.954 -1.706 -9.479) 10.074 7.644 ( -1.092 -0.631 8.740) 8.830 8.282 ( 44.803 25.867 -8.239) 52.386 12.681 ( -57.082 -32.956 4.374) 66.057 14.904 ( 1.611 0.930 -3.263) 3.756 16.071 ( 68.103 39.320 -17.693) 80.605 23.933 ( -38.590 -22.280 12.898) 46.389 ======================= Grid point 1111 (335/417) ======================= q-point: ( 0.38 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( 15.994 9.234 9.045) 20.565 1.399 ( 5.564 3.213 17.232) 18.391 2.156 ( 27.813 16.058 3.692) 32.328 3.172 ( 1.008 0.582 -1.471) 1.876 3.708 ( 18.198 10.506 2.832) 21.203 5.608 ( -5.098 -2.944 -8.485) 10.327 7.659 ( 0.106 0.061 6.940) 6.941 9.277 ( 46.441 26.813 -16.615) 56.140 11.548 ( -45.753 -26.416 -1.892) 52.865 14.947 ( 3.317 1.915 -2.680) 4.675 17.312 ( 48.793 28.171 -21.620) 60.347 23.016 ( -46.503 -26.849 20.355) 57.426 ======================= Grid point 1112 (336/417) ======================= q-point: ( 0.44 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( 10.570 6.103 8.826) 15.062 1.794 ( 17.301 9.989 5.187) 20.640 2.796 ( 28.410 16.403 -1.702) 32.850 3.198 ( 1.677 0.968 -0.967) 2.164 4.125 ( 17.863 10.313 4.348) 21.080 5.460 ( -5.717 -3.301 -6.499) 9.264 7.699 ( 1.874 1.082 4.575) 5.060 10.120 ( 23.113 13.344 -2.354) 26.792 10.695 ( -19.588 -11.309 -17.516) 28.607 15.039 ( 5.788 3.342 -1.872) 6.940 18.093 ( 29.076 16.787 -19.073) 38.613 22.081 ( -42.934 -24.788 16.344) 52.200 ======================= Grid point 1113 (337/417) ======================= q-point: ( 0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( 16.159 9.329 1.396) 18.710 2.179 ( 16.184 9.344 2.325) 18.831 3.236 ( 1.883 1.087 -0.351) 2.203 3.354 ( 22.302 12.876 -5.555) 26.344 4.509 ( 15.259 8.810 4.794) 18.261 5.335 ( -3.483 -2.011 -3.168) 5.120 7.775 ( 3.992 2.305 2.187) 5.102 9.714 ( -32.079 -18.521 0.776) 37.049 11.114 ( 34.616 19.985 -16.642) 43.297 15.190 ( 8.205 4.737 -0.970) 9.524 18.520 ( 16.014 9.245 -15.526) 24.145 21.255 ( -35.290 -20.375 9.295) 41.796 ======================= Grid point 1114 (338/417) ======================= q-point: ( 0.56 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.323 ( 19.607 11.320 -3.807) 22.959 2.513 ( 13.442 7.761 0.173) 15.522 3.275 ( 1.590 0.918 0.355) 1.870 3.708 ( 11.578 6.684 -9.331) 16.303 4.815 ( 10.610 6.126 4.438) 13.031 5.319 ( 2.960 1.709 1.695) 3.815 7.887 ( 5.651 3.263 0.098) 6.526 9.046 ( -27.756 -16.025 -0.155) 32.051 11.749 ( 26.217 15.137 -12.982) 32.939 15.385 ( 9.340 5.392 -0.063) 10.785 18.747 ( 9.612 5.549 -11.015) 15.637 20.609 ( -24.744 -14.286 4.338) 28.899 ======================= Grid point 1115 (339/417) ======================= q-point: ( 0.62 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.753 ( 20.694 11.948 -7.342) 24.998 2.766 ( 9.499 5.484 -1.488) 11.069 3.307 ( 1.084 0.626 1.154) 1.703 3.809 ( 1.252 0.723 -11.032) 11.126 4.999 ( 5.285 3.051 3.269) 6.923 5.468 ( 8.001 4.619 6.149) 11.098 8.015 ( 5.955 3.438 -1.540) 7.047 8.506 ( -20.755 -11.983 0.624) 23.974 12.153 ( 14.226 8.214 -15.385) 22.506 15.585 ( 8.237 4.756 0.753) 9.541 18.909 ( 8.111 4.683 -5.035) 10.634 20.206 ( -12.727 -7.348 2.719) 14.945 ======================= Grid point 1116 (340/417) ======================= q-point: ( 0.69 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.914 ( 4.326 2.498 -2.631) 5.646 3.169 ( 19.046 10.996 -10.044) 24.178 3.334 ( 1.067 0.616 1.858) 2.229 3.723 ( -5.249 -3.030 -10.100) 11.779 5.088 ( 2.036 1.175 2.696) 3.577 5.650 ( 5.229 3.019 8.198) 10.182 8.127 ( 4.574 2.641 -2.604) 5.889 8.160 ( -10.157 -5.864 1.158) 11.786 12.280 ( 3.213 1.855 -19.904) 20.246 15.736 ( 4.761 2.749 1.342) 5.659 19.085 ( 8.507 4.911 0.585) 9.840 20.053 ( -2.500 -1.443 2.998) 4.162 ======================= Grid point 1117 (341/417) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.935 ( -1.487 -0.859 -2.770) 3.259 3.369 ( 1.421 0.820 1.862) 2.481 3.429 ( -1.804 -1.042 -11.860) 12.042 3.600 ( 6.373 3.679 -8.777) 11.454 5.114 ( -0.373 -0.215 2.893) 2.925 5.721 ( -1.719 -0.993 8.755) 8.977 8.090 ( 3.714 2.144 1.407) 4.513 8.191 ( 1.965 1.134 -2.975) 3.741 12.202 ( -2.851 -1.646 -21.923) 22.169 15.792 ( -0.266 -0.153 1.562) 1.592 19.273 ( 7.464 4.309 2.567) 8.993 20.084 ( 3.618 2.089 3.370) 5.368 ======================= Grid point 1126 (342/417) ======================= q-point: ( 0.31 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( -0.000 12.118 12.027) 17.073 1.213 ( -0.000 17.116 16.736) 23.939 1.706 ( -0.000 8.231 18.252) 20.022 3.195 ( 0.000 1.895 -1.966) 2.730 3.295 ( -0.000 12.941 0.773) 12.964 5.698 ( 0.000 -3.269 -9.479) 10.027 7.758 ( -0.000 2.686 7.907) 8.351 8.180 ( 0.000 44.208 -4.685) 44.456 12.767 ( -0.000 -58.308 1.693) 58.333 14.866 ( 0.000 0.625 -3.045) 3.108 15.992 ( 0.000 73.206 -13.942) 74.522 23.970 ( -0.000 -41.920 10.392) 43.189 ======================= Grid point 1127 (343/417) ======================= q-point: ( 0.38 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( 7.506 14.811 8.937) 18.857 1.436 ( 2.514 6.477 18.999) 20.230 1.997 ( 14.374 22.119 3.893) 26.664 3.197 ( -0.996 3.610 -1.634) 4.086 3.564 ( 12.705 14.646 3.119) 19.638 5.608 ( -2.570 -4.363 -8.677) 10.047 7.750 ( -4.614 3.923 6.670) 9.009 8.885 ( 30.651 40.540 -11.396) 52.085 11.928 ( -33.925 -40.517 -2.388) 52.898 14.901 ( 3.235 1.854 -2.721) 4.616 16.908 ( 32.828 51.108 -16.821) 63.029 23.346 ( -25.749 -44.815 15.556) 53.976 ======================= Grid point 1128 (344/417) ======================= q-point: ( 0.44 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( 5.094 5.078 11.398) 13.478 1.715 ( 11.221 17.204 6.526) 21.552 2.543 ( 22.438 22.572 -1.907) 31.883 3.224 ( -0.422 5.317 -0.983) 5.423 3.958 ( 16.146 13.127 4.381) 21.265 5.481 ( -4.078 -4.638 -7.018) 9.349 7.750 ( -2.295 4.349 5.162) 7.129 9.754 ( 35.065 29.637 -8.712) 46.731 11.006 ( -35.202 -24.598 -8.628) 43.803 14.988 ( 4.647 4.633 -2.324) 6.961 17.754 ( 28.283 28.691 -16.414) 43.503 22.480 ( -34.110 -39.280 14.572) 54.026 ======================= Grid point 1129 (345/417) ======================= q-point: ( 0.50 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( 11.004 8.302 4.022) 14.359 2.092 ( 11.706 17.489 3.403) 21.319 3.084 ( 19.943 13.754 -4.606) 24.659 3.288 ( 1.488 9.805 -0.462) 9.928 4.353 ( 15.659 10.483 4.576) 19.391 5.354 ( -3.525 -3.574 -4.374) 6.658 7.794 ( 0.089 5.771 3.402) 6.700 10.046 ( -25.849 -19.693 4.506) 32.807 10.725 ( 27.327 24.584 -18.713) 41.247 15.133 ( 6.339 8.121 -1.721) 10.445 18.286 ( 18.312 14.045 -14.211) 27.102 21.615 ( -33.080 -31.527 9.245) 46.623 ======================= Grid point 1130 (346/417) ======================= q-point: ( 0.56 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.115 ( 16.098 10.327 -1.735) 19.204 2.444 ( 9.841 16.500 1.168) 19.247 3.287 ( 1.881 4.352 -0.616) 4.781 3.562 ( 12.279 12.598 -6.737) 18.838 4.695 ( 13.024 7.424 4.508) 15.654 5.294 ( 0.701 -0.749 -0.633) 1.205 7.885 ( 1.902 7.643 1.661) 8.050 9.378 ( -29.749 -16.196 0.641) 33.878 11.400 ( 28.986 18.447 -11.181) 36.132 15.337 ( 7.148 11.728 -1.000) 13.770 18.577 ( 11.999 5.549 -10.903) 17.136 20.877 ( -26.432 -22.891 4.477) 35.252 ======================= Grid point 1131 (347/417) ======================= q-point: ( 0.62 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.495 ( 18.685 10.239 -5.591) 22.028 2.735 ( 7.053 14.827 -0.648) 16.432 3.343 ( -0.288 5.216 0.630) 5.262 3.756 ( 3.863 5.369 -9.511) 11.585 4.938 ( 7.672 4.017 3.720) 9.425 5.380 ( 7.869 2.162 3.700) 8.960 8.004 ( 2.528 8.164 0.135) 8.547 8.795 ( -25.540 -9.551 1.373) 27.302 11.899 ( 19.400 8.778 -12.092) 24.488 15.572 ( 5.704 14.498 -0.365) 15.584 18.760 ( 10.580 1.447 -5.985) 12.241 20.356 ( -16.160 -13.947 2.528) 21.496 ======================= Grid point 1132 (348/417) ======================= q-point: ( 0.69 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.839 ( 11.860 6.855 -5.515) 14.767 2.985 ( 10.288 13.927 -4.674) 17.934 3.384 ( -1.351 5.701 1.190) 5.979 3.752 ( -3.562 1.613 -9.542) 10.312 5.062 ( 3.502 1.374 2.693) 4.627 5.571 ( 9.342 1.251 6.668) 11.546 8.095 ( 1.031 1.609 -0.368) 1.946 8.397 ( -17.767 4.121 1.248) 18.282 12.120 ( 8.537 -0.450 -16.367) 18.465 15.779 ( 1.637 15.168 0.031) 15.256 18.940 ( 11.805 0.147 -0.518) 11.818 20.093 ( -5.445 -6.230 2.644) 8.686 ======================= Grid point 1133 (349/417) ======================= q-point: ( 0.75 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.962 ( -0.009 4.696 -2.986) 5.564 3.300 ( 13.627 9.579 -10.031) 19.444 3.408 ( -2.202 3.565 0.457) 4.215 3.637 ( -7.531 2.712 -7.238) 10.792 5.110 ( 1.185 -0.720 2.452) 2.817 5.711 ( 4.331 -2.446 7.869) 9.310 8.055 ( 0.280 -4.395 1.294) 4.590 8.322 ( -7.956 17.523 -1.295) 19.288 12.097 ( 1.442 -6.676 -19.334) 20.505 15.899 ( -4.004 13.254 0.266) 13.848 19.143 ( 11.790 -0.280 2.355) 12.026 20.048 ( 2.336 -1.331 2.869) 3.932 ======================= Grid point 1143 (350/417) ======================= q-point: ( 0.38 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( -0.000 16.139 7.017) 17.599 1.543 ( -0.000 4.686 18.159) 18.754 2.136 ( -0.000 29.898 -0.506) 29.902 3.224 ( 0.000 2.516 -2.195) 3.339 3.646 ( -0.000 20.372 5.291) 21.048 5.554 ( 0.000 -5.314 -8.052) 9.648 7.844 ( -0.000 2.005 3.979) 4.456 9.022 ( 0.000 45.508 -7.399) 46.105 11.781 ( 0.000 -42.826 -8.336) 43.629 14.885 ( 0.000 3.377 -1.766) 3.811 17.118 ( 0.000 53.571 -13.828) 55.327 23.128 ( -0.000 -52.194 13.935) 54.022 ======================= Grid point 1144 (351/417) ======================= q-point: ( 0.44 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( 0.434 6.443 10.525) 12.348 1.743 ( 8.487 16.305 6.873) 19.624 2.513 ( 9.926 29.482 -3.192) 31.271 3.259 ( 1.632 3.978 -1.904) 4.702 3.929 ( 7.319 19.592 5.962) 21.747 5.460 ( -1.987 -5.423 -6.652) 8.809 7.848 ( -2.302 3.060 2.632) 4.647 9.583 ( 19.333 35.039 -3.214) 40.148 11.189 ( -20.562 -29.594 -13.588) 38.513 14.956 ( 3.802 5.563 -1.558) 6.916 17.665 ( 14.257 37.470 -12.642) 42.037 22.526 ( -17.065 -48.941 11.832) 53.164 ======================= Grid point 1145 (352/417) ======================= q-point: ( 0.50 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( 5.099 8.839 4.814) 11.282 2.101 ( 11.203 18.697 4.224) 22.202 2.947 ( 13.255 20.598 -4.683) 24.938 3.346 ( 3.013 8.088 -1.081) 8.699 4.268 ( 10.249 15.767 5.160) 19.501 5.353 ( -2.620 -4.298 -4.513) 6.760 7.870 ( -0.570 5.388 2.157) 5.832 10.091 ( 5.662 -6.263 7.205) 11.099 10.677 ( -5.376 12.021 -20.231) 24.139 15.105 ( 6.420 9.265 -1.723) 11.403 18.138 ( 13.201 20.742 -11.589) 27.181 21.775 ( -24.011 -40.663 7.511) 47.817 ======================= Grid point 1146 (353/417) ======================= q-point: ( 0.56 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.992 ( 10.571 11.339 -0.170) 15.502 2.472 ( 9.682 19.264 2.500) 21.705 3.243 ( 7.532 7.191 -3.919) 11.126 3.536 ( 6.834 14.713 -2.532) 16.419 4.589 ( 10.819 11.079 4.222) 16.051 5.279 ( -0.850 -1.855 -1.763) 2.697 7.948 ( 1.210 7.994 1.699) 8.261 9.667 ( -23.189 -19.817 0.240) 30.504 11.123 ( 23.224 23.891 -7.962) 34.257 15.335 ( 8.265 14.276 -1.606) 16.574 18.423 ( 9.318 8.663 -9.860) 16.097 21.051 ( -23.260 -30.585 3.283) 38.565 ======================= Grid point 1147 (354/417) ======================= q-point: ( 0.62 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.310 ( 14.453 12.240 -3.552) 19.270 2.791 ( 6.258 18.244 0.864) 19.307 3.365 ( 3.416 3.815 -1.785) 5.423 3.751 ( 3.608 11.809 -5.543) 13.535 4.856 ( 9.089 6.533 3.747) 11.804 5.296 ( 4.194 0.424 1.252) 4.397 8.056 ( 1.354 7.660 0.991) 7.842 9.136 ( -23.287 -8.381 1.146) 24.775 11.637 ( 19.249 11.816 -6.496) 23.502 15.630 ( 7.776 19.699 -1.385) 21.223 18.580 ( 8.587 0.908 -6.521) 10.820 20.476 ( -16.904 -20.113 1.306) 26.306 ======================= Grid point 1148 (355/417) ======================= q-point: ( 0.69 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.661 ( 15.292 11.371 -5.513) 19.838 3.029 ( 3.078 15.624 -0.984) 15.954 3.435 ( 1.660 3.215 -0.906) 3.730 3.834 ( -3.051 9.657 -6.240) 11.895 5.022 ( 4.434 2.633 2.534) 5.746 5.429 ( 9.689 -0.271 4.395) 10.642 8.099 ( -1.328 -1.751 0.544) 2.264 8.796 ( -18.504 11.094 2.490) 21.718 11.911 ( 10.212 -0.030 -10.025) 14.311 15.932 ( 3.304 23.587 -1.547) 23.867 18.716 ( 11.665 -3.515 -1.729) 12.306 20.129 ( -7.810 -10.768 1.459) 13.382 ======================= Grid point 1149 (356/417) ======================= q-point: ( 0.75 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.955 ( 8.626 8.904 -4.708) 13.261 3.208 ( 5.030 11.892 -4.689) 13.737 3.464 ( -1.052 1.523 -1.735) 2.537 3.820 ( -7.853 11.712 -4.298) 14.741 5.085 ( 1.640 -0.604 1.669) 2.417 5.592 ( 8.792 -3.807 6.319) 11.477 8.007 ( -1.504 -8.172 1.078) 8.379 8.737 ( -13.964 26.693 1.963) 30.189 11.926 ( 2.821 -9.065 -13.741) 16.701 16.151 ( -4.273 23.800 -1.859) 24.252 18.896 ( 14.964 -5.443 1.752) 16.019 20.006 ( 0.242 -4.353 1.899) 4.755 ======================= Grid point 1160 (357/417) ======================= q-point: ( 0.44 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( -0.000 6.854 8.899) 11.232 1.824 ( -0.000 16.965 3.985) 17.427 2.721 ( 0.000 30.368 -3.464) 30.565 3.260 ( 0.000 2.792 -2.427) 3.700 4.104 ( -0.000 22.633 6.417) 23.525 5.403 ( 0.000 -5.259 -5.509) 7.616 7.887 ( 0.000 1.441 -0.363) 1.486 9.739 ( -0.000 26.187 4.375) 26.550 11.035 ( 0.000 -21.666 -20.871) 30.083 14.979 ( 0.000 7.225 -0.337) 7.233 17.874 ( 0.000 34.644 -9.969) 36.049 22.217 ( -0.000 -49.961 8.813) 50.732 ======================= Grid point 1161 (358/417) ======================= q-point: ( 0.50 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( 0.275 10.361 4.117) 11.152 2.096 ( 10.265 16.702 3.502) 19.915 3.013 ( 3.782 23.700 -3.464) 24.249 3.325 ( 5.161 4.534 -2.042) 7.167 4.362 ( 2.715 21.036 5.073) 21.808 5.331 ( -1.268 -3.774 -3.751) 5.470 7.907 ( 1.075 2.828 -1.029) 3.196 9.943 ( 4.916 -9.743 7.171) 13.058 10.820 ( -4.284 12.820 -19.946) 24.094 15.097 ( 4.623 9.776 -0.374) 10.820 18.178 ( 4.537 24.330 -8.766) 26.256 21.681 ( -11.533 -44.103 5.058) 45.866 ======================= Grid point 1162 (359/417) ======================= q-point: ( 0.56 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.983 ( 4.827 13.073 0.638) 13.950 2.468 ( 12.926 16.933 2.852) 21.493 3.226 ( 2.936 11.180 -3.455) 12.064 3.519 ( 9.507 10.340 -1.408) 14.116 4.612 ( 3.825 16.574 3.055) 17.282 5.276 ( -1.222 -1.028 -1.690) 2.325 7.983 ( 3.187 5.735 -0.352) 6.570 9.704 ( -7.909 -26.165 -1.458) 27.373 11.073 ( 10.213 27.413 -5.170) 29.707 15.320 ( 9.013 13.916 -0.788) 16.599 18.396 ( 3.012 13.511 -7.985) 15.981 21.074 ( -16.268 -34.612 1.509) 38.274 ======================= Grid point 1163 (360/417) ======================= q-point: ( 0.62 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.233 ( 9.272 14.503 -1.497) 17.279 2.837 ( 10.397 16.792 2.023) 19.853 3.331 ( 2.666 4.460 -2.694) 5.853 3.769 ( 7.685 11.031 -2.016) 13.594 4.824 ( 4.997 10.757 2.095) 12.045 5.267 ( 0.381 1.236 0.027) 1.294 8.094 ( 2.307 5.470 0.159) 5.939 9.328 ( -10.773 -14.047 -1.536) 17.769 11.484 ( 12.840 16.023 -0.488) 20.539 15.654 ( 11.946 19.683 -0.872) 23.041 18.493 ( 1.740 4.575 -6.247) 7.936 20.531 ( -14.757 -23.850 -0.271) 28.047 ======================= Grid point 1164 (361/417) ======================= q-point: ( 0.69 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.543 ( 11.867 14.375 -2.746) 18.842 3.127 ( 4.717 15.822 0.678) 16.524 3.396 ( 3.410 0.913 -1.949) 4.032 3.949 ( 1.812 11.790 -2.713) 12.233 4.991 ( 4.458 5.476 1.854) 7.301 5.313 ( 4.234 -0.037 1.639) 4.540 8.106 ( -2.695 -4.061 0.213) 4.878 9.139 ( -7.777 8.602 1.184) 11.657 11.744 ( 7.676 2.283 -2.776) 8.476 16.063 ( 10.330 26.019 -1.200) 28.020 18.529 ( 4.482 -2.857 -2.732) 5.976 20.153 ( -8.844 -13.691 0.008) 16.299 ======================= Grid point 1165 (362/417) ======================= q-point: ( 0.75 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.862 ( 11.537 12.693 -3.308) 17.468 3.286 ( -0.552 10.886 -1.343) 10.982 3.457 ( 2.933 1.710 -1.983) 3.931 4.047 ( -3.875 14.589 -2.023) 15.230 5.068 ( 0.672 1.029 0.431) 1.302 5.414 ( 8.760 -4.476 4.157) 10.680 7.965 ( -3.887 -10.263 0.679) 10.995 9.208 ( -7.661 26.854 2.945) 28.080 11.760 ( 1.300 -9.733 -7.288) 12.229 16.439 ( 1.708 30.231 -2.296) 30.366 18.597 ( 11.380 -8.806 1.144) 14.435 19.974 ( -1.959 -6.118 0.866) 6.482 ======================= Grid point 1178 (363/417) ======================= q-point: ( 0.50 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.947 ( -0.000 12.352 2.481) 12.598 2.164 ( -0.000 16.118 2.708) 16.344 3.202 ( 0.000 21.028 -1.504) 21.082 3.296 ( 0.000 2.667 -2.537) 3.681 4.567 ( -0.000 21.383 3.300) 21.636 5.304 ( 0.000 -1.550 -2.347) 2.812 7.905 ( 0.000 1.955 -2.951) 3.540 9.757 ( -0.000 -25.653 1.768) 25.714 10.969 ( 0.000 24.908 -12.154) 27.715 15.153 ( -0.000 10.697 0.455) 10.707 18.349 ( 0.000 21.994 -6.988) 23.077 21.373 ( -0.000 -41.165 2.206) 41.224 ======================= Grid point 1179 (364/417) ======================= q-point: ( 0.56 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( 0.394 14.978 0.975) 15.014 2.422 ( 10.651 15.102 2.499) 18.648 3.304 ( -0.445 7.442 -2.104) 7.746 3.448 ( 7.971 9.972 -0.119) 12.766 4.763 ( -0.083 17.579 0.707) 17.593 5.294 ( -0.914 2.409 -0.816) 2.703 7.956 ( 4.233 3.748 -2.511) 6.186 9.473 ( -0.141 -30.531 -3.989) 30.791 11.223 ( 2.856 26.367 -1.075) 26.543 15.315 ( 6.220 12.693 0.273) 14.138 18.508 ( -1.086 16.233 -6.183) 17.405 20.945 ( -7.728 -33.646 -0.455) 34.525 ======================= Grid point 1180 (365/417) ======================= q-point: ( 0.62 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.269 ( 4.100 16.565 0.402) 17.070 2.778 ( 13.795 13.607 2.135) 19.494 3.358 ( -0.012 5.327 -1.463) 5.524 3.687 ( 10.897 6.804 0.732) 12.868 4.902 ( 0.145 11.758 -0.715) 11.781 5.311 ( -1.882 5.770 -0.258) 6.075 8.080 ( 4.891 4.593 -1.262) 6.827 9.200 ( 2.132 -22.855 -4.772) 23.445 11.517 ( 4.677 17.979 4.897) 19.212 15.613 ( 13.007 16.286 0.250) 20.844 18.570 ( -4.235 9.886 -5.319) 11.999 20.507 ( -10.415 -23.927 -1.816) 26.159 ======================= Grid point 1181 (366/417) ======================= q-point: ( 0.69 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.528 ( 7.398 16.704 0.244) 18.271 3.124 ( 12.039 11.594 1.322) 16.766 3.388 ( -0.904 3.042 -0.405) 3.199 3.934 ( 10.398 7.027 0.320) 12.554 5.001 ( 1.757 6.509 -0.135) 6.743 5.325 ( -2.785 4.803 -0.735) 5.600 8.111 ( -2.636 -4.163 -0.669) 4.973 9.158 ( 9.614 -1.527 -2.529) 10.058 11.707 ( 1.598 5.567 4.534) 7.356 16.054 ( 17.829 21.383 0.578) 27.846 18.532 ( -5.720 3.384 -3.291) 7.416 20.159 ( -8.299 -14.126 -1.339) 16.438 ======================= Grid point 1182 (367/417) ======================= q-point: ( 0.75 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1034 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.820 ( 8.811 15.260 -0.000) 17.621 3.388 ( 0.000 0.000 -0.000) 0.000 3.393 ( 6.310 10.930 0.000) 12.620 4.156 ( 6.022 10.431 0.000) 12.044 5.078 ( 1.471 2.548 -0.000) 2.943 5.307 ( -0.661 -1.144 -0.000) 1.321 7.948 ( -5.978 -10.354 -0.000) 11.956 9.422 ( 10.429 18.064 -0.000) 20.859 11.683 ( -4.330 -7.500 -0.000) 8.660 16.582 ( 15.899 27.538 -0.000) 31.799 18.445 ( -2.677 -4.636 -0.000) 5.353 19.962 ( -3.613 -6.258 -0.000) 7.226 ======================= Grid point 1196 (368/417) ======================= q-point: ( 0.56 0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( -0.000 17.219 1.438) 17.279 2.470 ( -0.000 13.896 2.523) 14.124 3.326 ( 0.000 2.142 -2.476) 3.273 3.497 ( -0.000 9.613 2.751) 9.999 4.914 ( 0.000 13.035 -1.672) 13.142 5.352 ( -0.000 8.147 -0.199) 8.149 7.936 ( 0.000 3.494 -2.801) 4.478 9.152 ( 0.000 -31.276 -5.848) 31.818 11.445 ( -0.000 22.632 4.976) 23.173 15.378 ( -0.000 12.046 0.325) 12.051 18.659 ( 0.000 15.487 -5.057) 16.292 20.703 ( 0.000 -28.306 -2.264) 28.397 ======================= Grid point 1197 (369/417) ======================= q-point: ( 0.62 0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.411 ( -0.215 18.411 2.429) 18.572 2.701 ( 10.274 12.363 2.430) 16.257 3.371 ( 3.030 2.712 -1.993) 4.529 3.610 ( 4.538 4.221 4.383) 7.591 5.000 ( -0.651 8.063 -2.390) 8.434 5.431 ( -2.212 11.383 -1.185) 11.656 8.023 ( 5.931 4.740 -1.679) 7.775 8.872 ( 3.934 -27.124 -5.825) 28.020 11.667 ( 0.690 15.917 9.942) 18.779 15.565 ( 8.654 12.658 0.259) 15.336 18.745 ( -4.474 12.791 -4.331) 14.226 20.413 ( -5.039 -20.399 -3.174) 21.250 ======================= Grid point 1198 (370/417) ======================= q-point: ( 0.69 0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.617 ( 2.824 18.037 3.224) 18.540 3.014 ( 12.665 9.711 2.024) 16.087 3.430 ( 0.606 2.745 0.236) 2.821 3.785 ( 11.714 2.110 3.499) 12.406 5.043 ( -0.420 4.696 -1.692) 5.009 5.466 ( -5.344 9.788 -2.903) 11.524 8.108 ( -0.870 -1.946 -1.169) 2.431 8.830 ( 18.461 -10.844 -4.234) 21.825 11.805 ( -2.310 6.652 10.839) 12.926 15.919 ( 18.141 14.410 1.135) 23.196 18.723 ( -9.468 9.494 -3.178) 13.780 20.149 ( -6.297 -11.940 -2.556) 13.739 ======================= Grid point 1214 (371/417) ======================= q-point: ( 0.62 0.62 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.625 ( -0.000 20.529 4.711) 21.062 2.721 ( -0.000 10.204 2.715) 10.559 3.344 ( 0.000 1.462 -2.288) 2.715 3.623 ( -0.000 0.748 6.768) 6.809 5.060 ( 0.000 5.319 -2.629) 5.933 5.564 ( 0.000 12.576 -3.107) 12.954 8.005 ( 0.000 4.871 -0.601) 4.908 8.566 ( 0.000 -24.814 -5.084) 25.329 11.839 ( -0.000 11.360 14.485) 18.408 15.597 ( 0.000 10.307 -0.417) 10.316 18.897 ( 0.000 12.781 -3.683) 13.301 20.273 ( 0.000 -14.445 -3.924) 14.968 ======================= Grid point 1216 (372/417) ======================= q-point: (-0.31 -0.38 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.785 ( -0.815 15.329 5.053) 16.161 2.942 ( 8.594 12.520 4.051) 15.717 3.399 ( 4.669 1.527 -1.558) 5.153 3.667 ( 4.208 -2.084 7.322) 8.698 5.087 ( -0.777 3.455 -2.307) 4.226 5.630 ( -3.719 9.967 -5.007) 11.758 8.095 ( 1.986 2.039 -0.350) 2.868 8.419 ( 11.962 -14.895 -3.166) 19.364 11.954 ( -2.694 5.125 16.308) 17.305 15.780 ( 11.335 9.163 -0.072) 14.576 18.953 ( -6.126 11.527 -2.999) 13.394 20.124 ( -3.270 -7.777 -3.487) 9.129 ======================= Grid point 1233 (373/417) ======================= q-point: (-0.31 -0.31 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.886 ( -0.000 4.847 2.846) 5.620 3.071 ( -0.000 20.448 9.247) 22.442 3.354 ( 0.000 1.257 -2.068) 2.420 3.628 ( -0.000 -5.435 8.609) 10.181 5.114 ( 0.000 2.278 -2.498) 3.381 5.725 ( 0.000 6.907 -6.766) 9.669 8.105 ( -0.000 4.662 1.892) 5.031 8.179 ( 0.000 -12.143 -2.471) 12.392 12.078 ( -0.000 2.094 19.931) 20.040 15.749 ( 0.000 5.741 -1.208) 5.867 19.103 ( 0.000 10.963 -2.895) 11.338 20.087 ( 0.000 -2.894 -3.672) 4.675 ======================= Grid point 1389 (374/417) ======================= q-point: ( 0.31 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( -0.000 0.000 13.400) 13.400 1.041 ( -0.000 0.000 13.400) 13.400 1.759 ( -0.000 0.000 25.974) 25.974 3.161 ( 0.000 -0.000 -1.803) 1.803 3.161 ( 0.000 -0.000 -1.803) 1.803 5.698 ( 0.000 -0.000 -9.600) 9.600 7.740 ( -0.000 0.000 8.761) 8.761 7.740 ( -0.000 0.000 8.761) 8.761 13.721 ( 0.000 -0.000 -0.059) 0.059 14.857 ( 0.000 -0.000 -3.287) 3.287 14.857 ( 0.000 -0.000 -3.287) 3.287 24.415 ( -0.000 0.000 0.671) 0.671 ======================= Grid point 1390 (375/417) ======================= q-point: ( 0.38 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( 9.052 5.226 10.964) 15.147 1.323 ( 15.534 8.969 13.434) 22.410 1.828 ( 2.764 1.596 15.515) 15.840 3.149 ( 0.193 0.112 -1.349) 1.368 3.342 ( 14.659 8.464 0.189) 16.928 5.636 ( -2.676 -1.545 -8.948) 9.467 7.731 ( -1.559 -0.900 8.345) 8.537 8.235 ( 36.538 21.095 -2.093) 42.243 12.709 ( -57.492 -33.193 1.718) 66.409 14.872 ( 1.768 1.021 -3.119) 3.728 15.934 ( 63.117 36.441 -10.354) 73.613 24.028 ( -32.613 -18.829 6.875) 38.281 ======================= Grid point 1391 (376/417) ======================= q-point: ( 0.44 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( 14.420 8.325 7.107) 18.104 1.569 ( 2.829 1.633 16.381) 16.703 2.174 ( 25.144 14.517 -0.324) 29.036 3.161 ( 1.152 0.665 -0.698) 1.502 3.735 ( 19.108 11.032 2.453) 22.200 5.527 ( -4.496 -2.596 -7.528) 9.145 7.729 ( -0.789 -0.455 6.964) 7.023 9.146 ( 45.181 26.085 -10.098) 53.138 11.533 ( -48.517 -28.011 -0.978) 56.031 14.920 ( 3.618 2.089 -2.616) 4.929 17.137 ( 47.585 27.473 -13.793) 56.651 23.174 ( -44.863 -25.902 11.699) 53.108 ======================= Grid point 1392 (377/417) ======================= q-point: ( 0.50 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( 6.885 3.975 8.556) 11.680 1.839 ( 16.070 9.278 3.677) 18.917 2.769 ( 27.240 15.727 -3.450) 31.642 3.193 ( 1.825 1.054 0.031) 2.108 4.163 ( 18.311 10.572 3.235) 21.390 5.400 ( -4.699 -2.713 -5.316) 7.596 7.748 ( 0.784 0.452 5.110) 5.190 10.087 ( 39.558 22.839 -4.968) 45.947 10.566 ( -36.174 -20.885 -7.178) 42.382 15.020 ( 6.173 3.564 -1.900) 7.377 17.934 ( 29.305 16.919 -12.836) 36.191 22.210 ( -44.298 -25.576 9.626) 52.049 ======================= Grid point 1393 (378/417) ======================= q-point: ( 0.56 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( 13.322 7.692 1.698) 15.477 2.196 ( 15.284 8.824 0.978) 17.675 3.238 ( 2.031 1.172 0.751) 2.462 3.296 ( 20.833 12.028 -5.902) 24.769 4.551 ( 15.556 8.981 3.627) 18.325 5.307 ( -1.872 -1.081 -2.292) 3.151 7.802 ( 2.878 1.662 3.147) 4.577 9.729 ( -33.472 -19.325 2.187) 38.712 10.970 ( 36.496 21.071 -11.666) 43.727 15.179 ( 8.630 4.982 -1.064) 10.021 18.392 ( 16.844 9.725 -10.000) 21.870 21.328 ( -36.971 -21.345 5.578) 43.053 ======================= Grid point 1394 (379/417) ======================= q-point: ( 0.62 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.287 ( 17.602 10.163 -3.183) 20.573 2.509 ( 12.807 7.394 -1.020) 14.823 3.284 ( 1.748 1.009 1.407) 2.460 3.618 ( 10.276 5.933 -8.492) 14.592 4.856 ( 10.392 6.000 3.837) 12.598 5.335 ( 5.108 2.949 1.408) 6.064 7.893 ( 4.623 2.669 1.236) 5.480 9.059 ( -27.868 -16.090 2.631) 32.287 11.624 ( 25.430 14.682 -11.865) 31.671 15.384 ( 9.759 5.635 -0.181) 11.271 18.663 ( 11.148 6.436 -5.660) 14.062 20.647 ( -25.513 -14.730 3.373) 29.653 ======================= Grid point 1395 (380/417) ======================= q-point: ( 0.69 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.683 ( 19.232 11.103 -6.584) 23.162 2.746 ( 9.075 5.239 -2.337) 10.736 3.323 ( 1.248 0.721 1.927) 2.406 3.705 ( 1.004 0.579 -9.456) 9.527 5.031 ( 4.910 2.835 3.063) 6.444 5.523 ( 9.523 5.498 4.886) 12.033 8.005 ( 5.117 2.954 -0.505) 5.930 8.525 ( -20.970 -12.107 3.084) 24.410 11.993 ( 12.230 7.061 -16.078) 21.399 15.592 ( 8.588 4.958 0.631) 9.937 18.881 ( 9.975 5.759 -0.528) 11.530 20.236 ( -12.764 -7.369 3.366) 15.118 ======================= Grid point 1406 (381/417) ======================= q-point: ( 0.38 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( -0.000 10.449 8.866) 13.704 1.360 ( -0.000 20.786 12.467) 24.238 1.868 ( -0.000 -1.421 13.902) 13.975 3.175 ( 0.000 1.790 -1.981) 2.670 3.307 ( -0.000 15.267 1.533) 15.343 5.607 ( 0.000 -2.965 -8.410) 8.917 7.828 ( -0.000 1.555 5.842) 6.046 8.164 ( -0.000 36.772 0.772) 36.780 12.770 ( 0.000 -60.505 -0.694) 60.509 14.839 ( 0.000 0.979 -2.316) 2.514 15.885 ( 0.000 69.151 -7.857) 69.596 24.048 ( -0.000 -36.299 5.561) 36.723 ======================= Grid point 1407 (382/417) ======================= q-point: ( 0.44 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( 7.134 13.433 6.440) 16.517 1.619 ( 1.779 6.353 17.204) 18.425 2.013 ( 12.184 17.082 -0.818) 20.998 3.182 ( -0.476 3.341 -1.270) 3.606 3.595 ( 12.498 16.507 3.057) 20.930 5.528 ( -2.289 -3.900 -7.164) 8.472 7.810 ( -3.937 2.352 5.216) 6.945 8.805 ( 27.882 38.997 -5.199) 48.220 11.901 ( -33.444 -44.688 -2.760) 55.885 14.877 ( 2.993 2.258 -2.129) 4.311 16.778 ( 31.133 49.982 -9.754) 59.687 23.464 ( -24.325 -42.447 8.544) 49.663 ======================= Grid point 1408 (383/417) ======================= q-point: ( 0.50 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( 4.100 3.214 8.215) 9.728 1.778 ( 8.634 15.169 6.102) 18.490 2.515 ( 22.029 21.586 -3.513) 31.041 3.217 ( 0.066 5.133 -0.309) 5.143 3.996 ( 15.877 14.145 3.173) 21.499 5.418 ( -3.478 -4.005 -5.283) 7.487 7.800 ( -2.167 2.979 4.547) 5.852 9.681 ( 35.891 34.021 -5.955) 49.811 10.941 ( -36.138 -30.344 -4.039) 47.360 14.966 ( 4.703 4.842 -1.948) 7.025 17.623 ( 27.536 28.913 -10.064) 41.176 22.591 ( -34.382 -39.829 7.993) 53.220 ======================= Grid point 1409 (384/417) ======================= q-point: ( 0.56 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( 8.828 5.913 3.256) 11.113 2.120 ( 10.552 17.295 2.005) 20.359 3.039 ( 19.890 13.601 -4.220) 24.463 3.286 ( 1.075 8.952 0.156) 9.018 4.391 ( 15.660 11.026 2.917) 19.373 5.317 ( -2.520 -2.755 -2.892) 4.723 7.829 ( -0.254 4.772 3.534) 5.944 10.091 ( -31.574 -23.489 3.463) 39.505 10.573 ( 33.640 28.848 -10.625) 45.571 15.117 ( 6.658 8.151 -1.502) 10.631 18.172 ( 18.429 14.447 -8.443) 24.892 21.685 ( -34.032 -32.892 4.915) 47.584 ======================= Grid point 1410 (385/417) ======================= q-point: ( 0.62 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( 14.272 8.779 -1.241) 16.802 2.449 ( 8.861 16.640 -0.130) 18.853 3.285 ( 3.572 3.633 0.163) 5.098 3.501 ( 9.599 12.437 -5.335) 16.591 4.734 ( 13.200 7.647 3.268) 15.602 5.290 ( 2.202 0.199 -0.262) 2.226 7.905 ( 1.228 7.003 2.298) 7.472 9.396 ( -29.467 -16.635 2.807) 33.955 11.301 ( 27.914 19.450 -8.242) 35.006 15.328 ( 7.616 11.591 -0.896) 13.898 18.496 ( 13.028 6.029 -5.179) 15.261 20.913 ( -26.827 -23.911 2.802) 36.045 ======================= Grid point 1411 (386/417) ======================= q-point: ( 0.69 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.445 ( 17.266 9.454 -4.281) 20.145 2.723 ( 6.150 15.003 -1.716) 16.305 3.354 ( 0.352 4.599 1.465) 4.839 3.670 ( 2.641 5.671 -7.478) 9.749 4.972 ( 7.329 3.739 3.148) 8.809 5.412 ( 9.674 3.067 2.619) 10.481 8.010 ( 1.720 7.929 0.979) 8.172 8.823 ( -25.498 -9.855 3.983) 27.625 11.778 ( 16.598 9.235 -11.874) 22.400 15.568 ( 6.248 14.078 -0.332) 15.406 18.727 ( 12.266 2.048 -0.682) 12.454 20.383 ( -15.845 -14.494 2.822) 21.658 ======================= Grid point 1424 (387/417) ======================= q-point: ( 0.44 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( -0.000 15.025 4.719) 15.749 1.713 ( -0.000 0.944 15.402) 15.431 2.115 ( 0.000 28.474 -3.470) 28.685 3.202 ( 0.000 2.399 -2.222) 3.269 3.698 ( -0.000 21.729 4.863) 22.267 5.482 ( 0.000 -4.735 -6.091) 7.715 7.871 ( -0.000 0.521 1.410) 1.503 8.980 ( 0.000 45.995 -1.516) 46.019 11.696 ( 0.000 -48.313 -8.397) 49.037 14.872 ( 0.000 3.841 -0.803) 3.924 17.015 ( 0.000 52.764 -7.197) 53.253 23.234 ( -0.000 -50.849 7.562) 51.408 ======================= Grid point 1425 (388/417) ======================= q-point: ( 0.50 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( 0.730 6.699 5.882) 8.944 1.809 ( 6.818 11.678 6.008) 14.797 2.480 ( 9.600 29.212 -2.851) 30.881 3.241 ( 2.223 3.739 -1.709) 4.673 3.982 ( 6.730 20.320 4.414) 21.856 5.403 ( -1.724 -4.730 -4.482) 6.741 7.865 ( -1.165 1.524 0.703) 2.043 9.572 ( 18.646 40.285 0.737) 44.397 11.064 ( -19.157 -36.555 -11.163) 42.754 14.944 ( 3.259 5.964 -0.702) 6.832 17.570 ( 13.442 37.394 -6.474) 40.260 22.614 ( -17.220 -49.584 6.122) 52.845 ======================= Grid point 1426 (389/417) ======================= q-point: ( 0.56 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( 3.791 6.715 2.909) 8.242 2.135 ( 10.679 18.247 2.501) 21.290 2.908 ( 12.722 20.379 -2.911) 24.200 3.337 ( 3.562 7.690 -0.697) 8.504 4.309 ( 9.760 16.044 2.901) 19.002 5.317 ( -2.091 -3.522 -2.570) 4.835 7.887 ( 0.385 4.125 1.163) 4.303 10.183 ( 4.681 -9.228 11.004) 15.105 10.486 ( -2.860 15.368 -17.680) 23.599 15.092 ( 6.076 9.493 -0.962) 11.312 18.051 ( 12.647 20.861 -5.776) 25.069 21.829 ( -24.556 -42.162 3.444) 48.913 ======================= Grid point 1427 (390/417) ======================= q-point: ( 0.62 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.991 ( 9.265 10.089 -0.149) 13.698 2.489 ( 8.924 19.429 0.871) 21.398 3.213 ( 8.394 7.411 -2.007) 11.376 3.516 ( 5.376 13.916 -1.307) 14.975 4.621 ( 11.009 11.103 2.097) 15.775 5.266 ( -0.073 -1.126 -0.742) 1.350 7.964 ( 1.597 7.112 1.429) 7.428 9.674 ( -22.681 -21.138 1.194) 31.027 11.062 ( 23.232 26.142 -4.056) 35.208 15.322 ( 8.210 14.338 -0.946) 16.549 18.354 ( 9.596 8.753 -3.922) 13.568 21.074 ( -23.444 -31.863 1.479) 39.586 ======================= Grid point 1428 (391/417) ======================= q-point: ( 0.69 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( 13.151 11.744 -2.064) 17.752 2.793 ( 5.395 18.595 -0.659) 19.373 3.353 ( 4.373 3.020 -0.380) 5.327 3.706 ( 1.818 12.378 -3.228) 12.920 4.886 ( 9.319 6.251 2.341) 11.463 5.306 ( 5.432 1.027 0.798) 5.585 8.068 ( 1.293 7.095 1.209) 7.313 9.159 ( -22.172 -9.015 3.309) 24.162 11.573 ( 16.493 13.274 -6.148) 22.046 15.619 ( 7.797 19.493 -0.897) 21.013 18.545 ( 9.812 1.045 -0.500) 9.881 20.490 ( -16.417 -20.901 1.510) 26.620 ======================= Grid point 1442 (392/417) ======================= q-point: ( 0.50 0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( -0.000 3.977 4.619) 6.095 1.857 ( -0.000 16.602 2.437) 16.780 2.696 ( 0.000 30.399 -1.153) 30.421 3.235 ( 0.000 2.705 -2.375) 3.600 4.158 ( -0.000 22.443 4.222) 22.837 5.359 ( 0.000 -4.504 -3.176) 5.511 7.874 ( 0.000 0.413 -2.302) 2.338 9.805 ( -0.000 32.630 8.489) 33.716 10.835 ( 0.000 -28.503 -18.850) 34.172 14.980 ( -0.000 7.503 0.435) 7.516 17.804 ( 0.000 34.304 -4.087) 34.547 22.280 ( -0.000 -51.244 4.094) 51.407 ======================= Grid point 1443 (393/417) ======================= q-point: ( 0.56 0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( -0.264 8.832 1.694) 8.997 2.123 ( 10.315 16.487 1.819) 19.533 2.993 ( 3.091 23.833 -0.439) 24.037 3.306 ( 5.725 4.618 -1.731) 7.556 4.400 ( 2.415 20.266 2.376) 20.547 5.304 ( -1.073 -2.995 -1.687) 3.601 7.891 ( 2.159 2.085 -2.261) 3.757 10.023 ( 2.653 -18.618 8.285) 20.550 10.641 ( -0.674 22.746 -15.121) 27.322 15.097 ( 4.122 9.967 0.354) 10.791 18.119 ( 4.056 23.920 -3.090) 24.457 21.715 ( -11.790 -45.727 1.689) 47.253 ======================= Grid point 1444 (394/417) ======================= q-point: ( 0.62 0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( 4.155 12.459 0.404) 13.140 2.488 ( 12.736 17.057 1.087) 21.315 3.205 ( 2.508 11.295 -0.615) 11.587 3.510 ( 9.381 10.647 -0.189) 14.192 4.629 ( 3.933 15.667 0.433) 16.159 5.265 ( -0.932 -0.413 -0.486) 1.130 7.976 ( 4.260 5.180 -0.970) 6.776 9.688 ( -7.900 -28.879 -1.528) 29.979 11.044 ( 11.489 31.583 -0.512) 33.612 15.317 ( 8.590 14.145 0.089) 16.549 18.345 ( 2.813 13.083 -2.145) 13.553 21.081 ( -16.323 -35.955 -0.043) 39.486 ======================= Grid point 1445 (395/417) ======================= q-point: ( 0.69 0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1032 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.225 ( 8.390 14.532 -0.000) 16.780 2.847 ( 9.893 17.135 -0.000) 19.786 3.317 ( 2.594 4.492 -0.000) 5.187 3.759 ( 6.631 11.486 -0.000) 13.262 4.834 ( 5.837 10.110 -0.000) 11.674 5.267 ( 0.804 1.393 -0.000) 1.608 8.094 ( 2.877 4.982 -0.000) 5.753 9.321 ( -8.819 -15.275 -0.000) 17.638 11.482 ( 10.619 18.393 -0.000) 21.239 15.650 ( 11.532 19.974 -0.000) 23.064 18.461 ( 2.401 4.159 -0.000) 4.803 20.530 ( -14.239 -24.663 -0.000) 28.479 ======================= Grid point 1460 (396/417) ======================= q-point: ( 0.56 0.56 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.963 ( -0.000 11.756 0.523) 11.768 2.187 ( -0.000 16.260 1.774) 16.357 3.205 ( -0.000 21.770 2.081) 21.869 3.271 ( 0.000 2.626 -2.348) 3.523 4.586 ( -0.000 19.852 0.572) 19.860 5.289 ( 0.000 -0.791 -0.681) 1.044 7.872 ( 0.000 1.886 -3.563) 4.031 9.765 ( 0.000 -32.915 -0.242) 32.916 10.886 ( 0.000 34.324 -4.198) 34.580 15.160 ( -0.000 10.629 0.790) 10.658 18.307 ( 0.000 21.219 -1.480) 21.270 21.383 ( 0.000 -42.777 -0.208) 42.777 ======================= Grid point 1461 (397/417) ======================= q-point: ( 0.62 0.56 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.089 ( 0.239 15.250 0.986) 15.284 2.441 ( 10.459 15.389 1.415) 18.661 3.290 ( 0.066 6.350 -0.855) 6.408 3.460 ( 7.265 12.021 2.664) 14.296 4.759 ( 0.001 16.085 -1.536) 16.159 5.289 ( -0.890 2.794 -0.195) 2.939 7.930 ( 4.943 3.961 -2.601) 6.847 9.431 ( -0.085 -32.782 -4.034) 33.030 11.239 ( 3.412 31.191 4.055) 31.638 15.320 ( 6.096 12.619 0.640) 14.029 18.474 ( -1.268 15.356 -0.661) 15.422 20.935 ( -7.659 -34.919 -1.585) 35.784 ======================= Grid point 1479 (398/417) ======================= q-point: (-0.38 -0.38 -0.69) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.260 ( -0.000 18.333 2.263) 18.472 2.493 ( -0.000 14.214 1.971) 14.350 3.302 ( 0.000 2.130 -2.156) 3.030 3.543 ( -0.000 10.661 6.260) 12.362 4.891 ( 0.000 12.192 -2.965) 12.547 5.347 ( 0.000 7.575 -0.824) 7.620 7.911 ( 0.000 4.275 -2.186) 4.801 9.097 ( 0.000 -32.003 -4.862) 32.370 11.517 ( -0.000 26.728 9.168) 28.257 15.382 ( -0.000 11.711 0.273) 11.714 18.634 ( -0.000 14.379 0.126) 14.380 20.677 ( 0.000 -29.310 -2.761) 29.440 ======================= Grid point 1672 (399/417) ======================= q-point: ( 0.38 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 417 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( -0.000 0.000 9.200) 9.200 1.155 ( -0.000 0.000 9.200) 9.200 1.984 ( -0.000 0.000 18.886) 18.886 3.145 ( 0.000 -0.000 -1.436) 1.436 3.145 ( 0.000 -0.000 -1.436) 1.436 5.609 ( 0.000 -0.000 -7.907) 7.907 7.819 ( -0.000 0.000 6.745) 6.745 7.819 ( -0.000 0.000 6.745) 6.745 13.720 ( 0.000 -0.000 -0.046) 0.046 14.827 ( 0.000 -0.000 -2.563) 2.563 14.827 ( 0.000 -0.000 -2.563) 2.563 24.421 ( -0.000 0.000 0.513) 0.513 ======================= Grid point 1673 (400/417) ======================= q-point: ( 0.44 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( 8.179 4.722 7.260) 11.912 1.434 ( 18.511 10.688 8.799) 23.115 1.957 ( -4.202 -2.426 10.096) 11.202 3.139 ( 0.417 0.241 -0.644) 0.804 3.345 ( 15.821 9.134 0.270) 18.270 5.556 ( -2.442 -1.410 -6.743) 7.309 7.807 ( -1.640 -0.947 6.661) 6.924 8.225 ( 31.344 18.097 -0.351) 36.195 12.721 ( -57.558 -33.231 0.899) 66.468 14.843 ( 1.805 1.042 -2.480) 3.240 15.854 ( 60.104 34.701 -5.779) 69.643 24.079 ( -29.398 -16.973 3.481) 34.123 ======================= Grid point 1674 (401/417) ======================= q-point: ( 0.50 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( 13.318 7.689 4.361) 15.985 1.721 ( 0.253 0.146 13.697) 13.700 2.150 ( 24.158 13.948 -4.241) 28.216 3.158 ( 1.375 0.794 0.240) 1.605 3.755 ( 19.648 11.344 1.310) 22.725 5.463 ( -4.016 -2.318 -5.050) 6.856 7.794 ( -1.236 -0.714 5.920) 6.090 9.066 ( 43.339 25.022 -6.294) 50.438 11.533 ( -49.311 -28.470 1.352) 56.956 14.896 ( 3.790 2.188 -2.147) 4.875 17.029 ( 46.409 26.794 -7.907) 54.168 23.259 ( -43.727 -25.246 5.728) 50.815 ======================= Grid point 1675 (402/417) ======================= q-point: ( 0.56 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( 4.052 2.339 6.074) 7.667 1.866 ( 15.113 8.725 1.665) 17.530 2.731 ( 26.729 15.432 -3.806) 31.098 3.199 ( 2.013 1.162 1.061) 2.556 4.187 ( 18.700 10.796 1.298) 21.631 5.357 ( -3.953 -2.282 -3.010) 5.468 7.798 ( 0.110 0.063 4.869) 4.871 10.011 ( 42.507 24.542 -9.941) 50.080 10.561 ( -39.350 -22.719 5.812) 45.808 15.002 ( 6.448 3.723 -1.642) 7.624 17.834 ( 29.316 16.926 -7.079) 34.583 22.279 ( -44.862 -25.901 4.372) 51.986 ======================= Grid point 1676 (403/417) ======================= q-point: ( 0.62 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( 11.133 6.427 1.098) 12.902 2.198 ( 14.546 8.398 -0.484) 16.803 3.241 ( 19.716 11.383 -4.790) 23.264 3.251 ( 2.174 1.255 1.721) 3.044 4.579 ( 16.169 9.335 1.840) 18.761 5.291 ( -0.854 -0.493 -0.973) 1.386 7.836 ( 2.050 1.183 3.631) 4.334 9.752 ( -32.686 -18.871 2.069) 37.799 10.888 ( 35.190 20.317 -4.452) 40.876 15.169 ( 8.981 5.185 -1.002) 10.419 18.320 ( 17.606 10.165 -4.258) 20.771 21.369 ( -37.505 -21.654 2.642) 43.388 ======================= Grid point 1690 (404/417) ======================= q-point: ( 0.44 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( -0.000 9.430 5.149) 10.744 1.460 ( -0.000 23.590 7.366) 24.713 1.980 ( -0.000 -8.311 8.428) 11.837 3.157 ( 0.000 1.551 -1.661) 2.273 3.324 ( -0.000 17.385 1.732) 17.472 5.536 ( 0.000 -2.734 -5.650) 6.276 7.872 ( -0.000 0.353 2.858) 2.879 8.183 ( -0.000 32.890 2.440) 32.980 12.758 ( 0.000 -62.728 -1.515) 62.747 14.821 ( 0.000 1.367 -1.197) 1.817 15.828 ( 0.000 67.219 -3.846) 67.329 24.088 ( -0.000 -33.322 2.702) 33.431 ======================= Grid point 1691 (405/417) ======================= q-point: ( 0.50 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( 6.957 12.516 3.370) 14.710 1.776 ( 1.705 7.291 14.163) 16.021 1.980 ( 10.395 13.162 -5.686) 17.710 3.172 ( 0.346 2.886 -0.710) 2.992 3.621 ( 11.880 17.988 1.960) 21.646 5.470 ( -2.085 -3.578 -4.101) 5.828 7.851 ( -2.483 0.692 2.875) 3.861 8.771 ( 25.079 38.440 -1.865) 45.935 11.878 ( -31.766 -48.025 -1.746) 57.607 14.860 ( 2.495 2.717 -1.169) 3.869 16.707 ( 29.704 49.446 -4.500) 57.858 23.525 ( -23.577 -41.046 3.776) 47.486 ======================= Grid point 1692 (406/417) ======================= q-point: ( 0.56 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( 5.516 4.602 2.968) 7.772 1.833 ( 4.841 10.795 4.260) 12.575 2.480 ( 21.918 21.899 -2.964) 31.125 3.218 ( 0.727 4.743 0.458) 4.821 4.018 ( 15.444 14.961 0.966) 21.524 5.380 ( -3.089 -3.611 -2.336) 5.295 7.839 ( -1.342 1.619 3.213) 3.840 9.630 ( 34.040 36.484 -4.436) 50.095 10.928 ( -33.711 -34.094 1.564) 47.972 14.950 ( 4.516 5.128 -1.230) 6.943 17.551 ( 26.730 29.163 -4.443) 39.808 22.645 ( -34.482 -39.980 2.910) 52.877 ======================= Grid point 1693 (407/417) ======================= q-point: ( 0.62 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( 7.710 4.383 1.138) 8.941 2.131 ( 9.573 17.201 0.198) 19.687 3.004 ( 19.633 14.031 -2.498) 24.261 3.292 ( 0.984 8.019 1.015) 8.143 4.409 ( 15.886 11.594 0.495) 19.673 5.299 ( -1.993 -2.336 -0.731) 3.156 7.863 ( -0.033 3.765 3.137) 4.900 10.091 ( -28.879 -18.509 -4.114) 34.547 10.538 ( 31.315 23.429 4.183) 39.332 15.104 ( 6.746 8.295 -1.020) 10.741 18.117 ( 18.528 14.897 -2.663) 23.923 21.716 ( -34.223 -33.369 1.434) 47.820 ======================= Grid point 1708 (408/417) ======================= q-point: ( 0.50 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( -0.000 14.542 1.893) 14.665 1.833 ( -0.000 -5.039 7.223) 8.806 2.080 ( 0.000 31.712 -2.051) 31.778 3.181 ( 0.000 2.179 -1.864) 2.867 3.739 ( -0.000 22.546 3.111) 22.759 5.437 ( 0.000 -4.382 -2.728) 5.162 7.871 ( 0.000 -0.656 -1.383) 1.531 8.984 ( -0.000 46.741 1.981) 46.783 11.618 ( 0.000 -52.737 -6.891) 53.185 14.870 ( -0.000 4.199 0.291) 4.209 16.970 ( 0.000 52.415 -1.885) 52.449 23.285 ( -0.000 -50.061 2.882) 50.144 ======================= Grid point 1709 (409/417) ======================= q-point: ( 0.56 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( 1.579 7.947 1.382) 8.219 1.849 ( 5.690 7.927 1.321) 9.846 2.464 ( 8.928 29.850 -0.058) 31.156 3.226 ( 2.962 3.392 -1.193) 4.658 4.014 ( 6.031 20.702 1.843) 21.641 5.374 ( -1.578 -4.381 -1.232) 4.817 7.862 ( 0.376 0.316 -1.360) 1.446 9.592 ( 17.030 44.746 3.104) 47.978 10.972 ( -16.472 -42.510 -6.998) 46.124 14.942 ( 2.681 6.287 0.289) 6.841 17.533 ( 12.623 37.413 -0.929) 39.496 22.652 ( -17.331 -49.827 1.500) 52.777 ======================= Grid point 1710 (410/417) ======================= q-point: ( 0.62 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1034 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( 3.410 5.906 -0.000) 6.819 2.148 ( 10.430 18.065 -0.000) 20.860 2.893 ( 11.979 20.748 -0.000) 23.958 3.334 ( 4.196 7.268 -0.000) 8.392 4.324 ( 9.373 16.235 -0.000) 18.747 5.303 ( -1.875 -3.247 -0.000) 3.749 7.893 ( 1.772 3.069 -0.000) 3.544 10.287 ( -19.105 -33.090 -0.000) 38.209 10.349 ( 22.390 38.781 0.000) 44.781 15.087 ( 5.633 9.757 -0.000) 11.267 18.022 ( 12.145 21.036 -0.000) 24.290 21.846 ( -24.646 -42.689 -0.000) 49.293 ======================= Grid point 1726 (411/417) ======================= q-point: ( 0.56 0.56 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( 0.000 3.136 -1.215) 3.363 1.871 ( -0.000 16.774 0.480) 16.781 2.701 ( -0.000 30.679 1.989) 30.744 3.214 ( 0.000 2.540 -1.899) 3.171 4.187 ( -0.000 22.037 1.379) 22.081 5.342 ( 0.000 -4.236 -0.071) 4.237 7.843 ( 0.000 -0.048 -3.884) 3.884 9.903 ( -0.000 40.635 10.880) 42.066 10.666 ( 0.000 -36.918 -14.340) 39.606 14.988 ( -0.000 7.579 1.130) 7.663 17.791 ( -0.000 33.979 1.519) 34.013 22.301 ( 0.000 -51.816 -0.043) 51.816 ======================= Grid point 1958 (412/417) ======================= q-point: ( 0.44 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( -0.000 0.000 4.685) 4.685 1.224 ( -0.000 0.000 4.685) 4.685 2.130 ( -0.000 0.000 10.028) 10.028 3.133 ( 0.000 -0.000 -0.800) 0.800 3.133 ( 0.000 -0.000 -0.800) 0.800 5.545 ( 0.000 -0.000 -4.521) 4.521 7.871 ( -0.000 0.000 3.665) 3.665 7.871 ( -0.000 0.000 3.665) 3.665 13.720 ( 0.000 -0.000 -0.025) 0.025 14.807 ( 0.000 -0.000 -1.404) 1.404 14.807 ( 0.000 -0.000 -1.404) 1.404 24.425 ( -0.000 0.000 0.277) 0.277 ======================= Grid point 1959 (413/417) ======================= q-point: ( 0.50 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( 7.765 4.483 3.148) 9.503 1.497 ( 20.631 11.912 3.651) 24.101 2.027 ( -8.642 -4.989 3.880) 10.707 3.137 ( 0.721 0.416 0.207) 0.857 3.346 ( 16.441 9.492 -0.217) 18.986 5.506 ( -2.296 -1.325 -2.998) 4.002 7.860 ( -1.315 -0.759 3.932) 4.216 8.220 ( 28.457 16.430 -0.851) 32.871 12.730 ( -57.076 -32.953 1.033) 65.914 14.823 ( 1.708 0.986 -1.428) 2.435 15.814 ( 58.437 33.738 -2.370) 67.519 24.102 ( -27.951 -16.138 1.222) 32.299 ======================= Grid point 1960 (414/417) ======================= q-point: ( 0.56 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( 12.704 7.335 1.234) 14.721 1.831 ( -3.845 -2.220 7.170) 8.434 2.098 ( 26.615 15.366 -5.040) 31.143 3.165 ( 1.637 0.945 1.159) 2.217 3.758 ( 19.788 11.424 -0.730) 22.861 5.430 ( -3.762 -2.172 -1.345) 4.548 7.844 ( -1.161 -0.670 3.960) 4.181 9.015 ( 41.670 24.058 -4.104) 48.291 11.562 ( -48.281 -27.875 4.287) 55.915 14.878 ( 3.799 2.193 -1.331) 4.584 16.975 ( 45.632 26.346 -2.929) 52.773 23.293 ( -43.236 -24.962 1.215) 49.939 ======================= Grid point 1976 (415/417) ======================= q-point: ( 0.50 0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( -0.000 8.957 1.074) 9.021 1.506 ( -0.000 24.678 1.847) 24.747 2.035 ( -0.000 -11.289 2.405) 11.543 3.143 ( 0.000 1.213 -1.032) 1.592 3.339 ( -0.000 18.719 1.130) 18.753 5.499 ( 0.000 -2.620 -1.528) 3.033 7.883 ( 0.000 -0.729 -0.583) 0.933 8.206 ( -0.000 31.745 2.008) 31.808 12.743 ( 0.000 -64.623 -1.438) 64.639 14.815 ( -0.000 1.720 0.127) 1.724 15.806 ( -0.000 66.757 -0.658) 66.760 24.105 ( 0.000 -32.098 0.657) 32.104 ======================= Grid point 1977 (416/417) ======================= q-point: ( 0.56 0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 1032 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( 7.011 12.144 -0.000) 14.023 1.892 ( -4.236 -7.337 -0.000) 8.472 1.906 ( 15.536 26.909 0.000) 31.071 3.169 ( 1.339 2.319 -0.000) 2.677 3.632 ( 10.923 18.920 -0.000) 21.847 5.449 ( -2.001 -3.466 -0.000) 4.003 7.866 ( -0.449 -0.778 -0.000) 0.898 8.763 ( 22.591 39.128 -0.000) 45.181 11.868 ( -29.085 -50.376 -0.000) 58.169 14.854 ( 1.826 3.163 -0.000) 3.652 16.685 ( 28.637 49.600 -0.000) 57.273 23.543 ( -23.414 -40.554 -0.000) 46.827 ======================= Grid point 2249 (417/417) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.15e-04 1.84e-05 Number of triplets: 213 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( -0.000 0.000 0.000) 0.000 1.248 ( -0.000 0.000 0.000) 0.000 2.181 ( -0.000 0.000 0.000) 0.000 3.129 ( -0.000 0.000 0.000) 0.000 3.129 ( -0.000 0.000 0.000) 0.000 5.522 ( -0.000 0.000 0.000) 0.000 7.890 ( -0.000 0.000 0.000) 0.000 7.890 ( -0.000 0.000 0.000) 0.000 13.720 ( -0.000 0.000 0.000) 0.000 14.800 ( -0.000 0.000 0.000) 0.000 14.800 ( -0.000 0.000 0.000) 0.000 24.426 ( -0.000 0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/49152 10.0 944.534 944.534 1961.685 0.000 -0.000 0.000 3/49152 20.0 452.124 452.124 406.925 0.000 -0.000 0.000 3/49152 30.0 252.193 252.193 170.490 0.000 -0.000 0.000 3/49152 40.0 162.908 162.908 95.747 0.000 -0.000 0.000 3/49152 50.0 115.467 115.467 63.752 0.000 -0.000 0.000 3/49152 60.0 86.522 86.522 46.791 0.000 -0.000 0.000 3/49152 70.0 67.419 67.419 36.456 0.000 -0.000 0.000 3/49152 80.0 54.193 54.193 29.565 0.000 -0.000 0.000 3/49152 90.0 44.692 44.692 24.667 0.000 -0.000 0.000 3/49152 100.0 37.643 37.643 21.011 0.000 -0.000 0.000 3/49152 110.0 32.262 32.262 18.173 0.000 -0.000 0.000 3/49152 120.0 28.051 28.051 15.904 0.000 -0.000 0.000 3/49152 130.0 24.686 24.686 14.049 0.000 -0.000 0.000 3/49152 140.0 21.951 21.951 12.507 0.000 -0.000 0.000 3/49152 150.0 19.696 19.696 11.212 0.000 -0.000 0.000 3/49152 160.0 17.814 17.814 10.114 0.000 -0.000 0.000 3/49152 170.0 16.226 16.226 9.177 0.000 -0.000 0.000 3/49152 180.0 14.874 14.874 8.373 0.000 -0.000 0.000 3/49152 190.0 13.714 13.714 7.678 0.000 -0.000 0.000 3/49152 200.0 12.710 12.710 7.076 0.000 -0.000 0.000 3/49152 210.0 11.835 11.835 6.551 0.000 -0.000 0.000 3/49152 220.0 11.067 11.067 6.091 0.000 -0.000 0.000 3/49152 230.0 10.390 10.390 5.686 0.000 -0.000 0.000 3/49152 240.0 9.788 9.788 5.327 0.000 -0.000 0.000 3/49152 250.0 9.251 9.251 5.008 0.000 -0.000 0.000 3/49152 260.0 8.769 8.769 4.724 0.000 -0.000 0.000 3/49152 270.0 8.335 8.335 4.469 0.000 -0.000 0.000 3/49152 280.0 7.942 7.942 4.239 0.000 -0.000 0.000 3/49152 290.0 7.584 7.584 4.031 0.000 -0.000 0.000 3/49152 300.0 7.258 7.258 3.842 0.000 -0.000 0.000 3/49152 310.0 6.959 6.959 3.670 0.000 -0.000 0.000 3/49152 320.0 6.684 6.684 3.513 0.000 -0.000 0.000 3/49152 330.0 6.430 6.430 3.369 0.000 -0.000 0.000 3/49152 340.0 6.195 6.195 3.236 0.000 -0.000 0.000 3/49152 350.0 5.978 5.978 3.113 0.000 -0.000 0.000 3/49152 360.0 5.775 5.775 3.000 0.000 -0.000 0.000 3/49152 370.0 5.586 5.586 2.894 0.000 -0.000 0.000 3/49152 380.0 5.410 5.410 2.796 0.000 -0.000 0.000 3/49152 390.0 5.244 5.244 2.705 0.000 -0.000 0.000 3/49152 400.0 5.089 5.089 2.620 0.000 -0.000 0.000 3/49152 410.0 4.943 4.943 2.540 0.000 -0.000 0.000 3/49152 420.0 4.806 4.806 2.464 0.000 -0.000 0.000 3/49152 430.0 4.676 4.676 2.394 0.000 -0.000 0.000 3/49152 440.0 4.553 4.553 2.327 0.000 -0.000 0.000 3/49152 450.0 4.437 4.437 2.264 0.000 -0.000 0.000 3/49152 460.0 4.326 4.326 2.205 0.000 -0.000 0.000 3/49152 470.0 4.222 4.222 2.149 0.000 -0.000 0.000 3/49152 480.0 4.122 4.122 2.095 0.000 -0.000 0.000 3/49152 490.0 4.027 4.027 2.044 0.000 -0.000 0.000 3/49152 500.0 3.937 3.937 1.996 0.000 -0.000 0.000 3/49152 510.0 3.850 3.850 1.950 0.000 -0.000 0.000 3/49152 520.0 3.768 3.768 1.907 0.000 -0.000 0.000 3/49152 530.0 3.689 3.689 1.865 0.000 -0.000 0.000 3/49152 540.0 3.613 3.613 1.825 0.000 -0.000 0.000 3/49152 550.0 3.541 3.541 1.787 0.000 -0.000 0.000 3/49152 560.0 3.471 3.471 1.750 0.000 -0.000 0.000 3/49152 570.0 3.404 3.404 1.715 0.000 -0.000 0.000 3/49152 580.0 3.340 3.340 1.682 0.000 -0.000 0.000 3/49152 590.0 3.278 3.278 1.649 0.000 -0.000 0.000 3/49152 600.0 3.219 3.219 1.618 0.000 -0.000 0.000 3/49152 610.0 3.162 3.162 1.589 0.000 -0.000 0.000 3/49152 620.0 3.107 3.107 1.560 0.000 -0.000 0.000 3/49152 630.0 3.053 3.053 1.532 0.000 -0.000 0.000 3/49152 640.0 3.002 3.002 1.506 0.000 -0.000 0.000 3/49152 650.0 2.952 2.952 1.480 0.000 -0.000 0.000 3/49152 660.0 2.904 2.904 1.455 0.000 -0.000 0.000 3/49152 670.0 2.858 2.858 1.431 0.000 -0.000 0.000 3/49152 680.0 2.813 2.813 1.408 0.000 -0.000 0.000 3/49152 690.0 2.770 2.770 1.386 0.000 -0.000 0.000 3/49152 700.0 2.727 2.727 1.364 0.000 -0.000 0.000 3/49152 710.0 2.687 2.687 1.343 0.000 -0.000 0.000 3/49152 720.0 2.647 2.647 1.323 0.000 -0.000 0.000 3/49152 730.0 2.608 2.608 1.303 0.000 -0.000 0.000 3/49152 740.0 2.571 2.571 1.284 0.000 -0.000 0.000 3/49152 750.0 2.535 2.535 1.265 0.000 -0.000 0.000 3/49152 760.0 2.500 2.500 1.247 0.000 -0.000 0.000 3/49152 770.0 2.466 2.466 1.230 0.000 -0.000 0.000 3/49152 780.0 2.432 2.432 1.213 0.000 -0.000 0.000 3/49152 790.0 2.400 2.400 1.196 0.000 -0.000 0.000 3/49152 800.0 2.368 2.368 1.180 0.000 -0.000 0.000 3/49152 810.0 2.338 2.338 1.165 0.000 -0.000 0.000 3/49152 820.0 2.308 2.308 1.150 0.000 -0.000 0.000 3/49152 830.0 2.279 2.279 1.135 0.000 -0.000 0.000 3/49152 840.0 2.250 2.250 1.120 0.000 -0.000 0.000 3/49152 850.0 2.223 2.223 1.106 0.000 -0.000 0.000 3/49152 860.0 2.196 2.196 1.093 0.000 -0.000 0.000 3/49152 870.0 2.169 2.169 1.079 0.000 -0.000 0.000 3/49152 880.0 2.144 2.144 1.066 0.000 -0.000 0.000 3/49152 890.0 2.119 2.119 1.054 0.000 -0.000 0.000 3/49152 900.0 2.094 2.094 1.041 0.000 -0.000 0.000 3/49152 910.0 2.070 2.070 1.029 0.000 -0.000 0.000 3/49152 920.0 2.047 2.047 1.017 0.000 -0.000 0.000 3/49152 930.0 2.024 2.024 1.006 0.000 -0.000 0.000 3/49152 940.0 2.002 2.002 0.994 0.000 -0.000 0.000 3/49152 950.0 1.980 1.980 0.983 0.000 -0.000 0.000 3/49152 960.0 1.959 1.959 0.973 0.000 -0.000 0.000 3/49152 970.0 1.938 1.938 0.962 0.000 -0.000 0.000 3/49152 980.0 1.917 1.917 0.952 0.000 -0.000 0.000 3/49152 990.0 1.897 1.897 0.942 0.000 -0.000 0.000 3/49152 1000.0 1.878 1.878 0.932 0.000 -0.000 0.000 3/49152 Thermal conductivity related properties were written into "kappa-m161616.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 21:46:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|