----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:24:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) Number of symmetry operations in supercell: 324 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.532899605892979 0.885020000102981 5.644753693333326 b -1.532899605892976 0.885020000102981 5.644753693333326 c 0.000000000000002 -1.770040000205965 5.644753693333326 Atomic positions (fractional): *1 O 0.10766824517650 0.10766824517650 0.10766824517649 15.999 2 O 0.89233175482351 0.89233175482351 0.89233175482351 15.999 *3 Cu 0.00000000000000 0.00000000000000 0.00000000000000 63.546 *4 Rh 0.50000000000000 0.50000000000000 0.50000000000000 102.906 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.065799211785956 0.000000000000000 0.000000000000000 b -1.532899605892978 2.655060000308946 0.000000000000000 c 0.000000000000000 0.000000000000000 16.934261079999995 Atomic positions (fractional): *1 O 0.00000000000000 0.00000000000000 0.10766824517649 15.999 > 1 2 O 0.66666666666667 0.33333333333333 0.22566508815684 15.999 > 2 3 O 0.66666666666667 0.33333333333333 0.44100157850983 15.999 > 1 4 O 0.33333333333333 0.66666666666667 0.55899842149017 15.999 > 2 5 O 0.33333333333333 0.66666666666667 0.77433491184316 15.999 > 1 6 O 0.00000000000000 0.00000000000000 0.89233175482351 15.999 > 2 *7 Cu 0.00000000000000 0.00000000000000 0.00000000000000 63.546 > 3 8 Cu 0.66666666666667 0.33333333333333 0.33333333333333 63.546 > 3 9 Cu 0.33333333333333 0.66666666666667 0.66666666666667 63.546 > 3 *10 Rh 0.33333333333333 0.66666666666667 0.16666666666667 102.906 > 4 11 Rh 0.00000000000000 0.00000000000000 0.50000000000000 102.906 > 4 12 Rh 0.66666666666667 0.33333333333333 0.83333333333333 102.906 > 4 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.197397635357868 0.000000000000000 0.000000000000000 b -4.598698817678934 7.965180000926837 0.000000000000000 c 0.000000000000000 0.000000000000000 16.934261079999995 Atomic positions (fractional): *1 O 0.00000000000000 0.00000000000000 0.10766824517649 15.999 > 1 2 O 0.33333333333333 0.00000000000000 0.10766824517649 15.999 > 1 3 O 0.66666666666667 0.00000000000000 0.10766824517649 15.999 > 1 4 O 0.00000000000000 0.33333333333333 0.10766824517649 15.999 > 1 5 O 0.33333333333333 0.33333333333333 0.10766824517649 15.999 > 1 6 O 0.66666666666667 0.33333333333333 0.10766824517649 15.999 > 1 7 O 0.00000000000000 0.66666666666667 0.10766824517649 15.999 > 1 8 O 0.33333333333333 0.66666666666667 0.10766824517649 15.999 > 1 9 O 0.66666666666667 0.66666666666667 0.10766824517649 15.999 > 1 10 O 0.22222222222222 0.11111111111111 0.22566508815684 15.999 > 2 11 O 0.55555555555556 0.11111111111111 0.22566508815684 15.999 > 2 12 O 0.88888888888889 0.11111111111111 0.22566508815684 15.999 > 2 13 O 0.22222222222222 0.44444444444444 0.22566508815684 15.999 > 2 14 O 0.55555555555556 0.44444444444444 0.22566508815684 15.999 > 2 15 O 0.88888888888889 0.44444444444444 0.22566508815684 15.999 > 2 16 O 0.22222222222222 0.77777777777778 0.22566508815684 15.999 > 2 17 O 0.55555555555556 0.77777777777778 0.22566508815684 15.999 > 2 18 O 0.88888888888889 0.77777777777778 0.22566508815684 15.999 > 2 19 O 0.22222222222222 0.11111111111111 0.44100157850983 15.999 > 1 20 O 0.55555555555556 0.11111111111111 0.44100157850983 15.999 > 1 21 O 0.88888888888889 0.11111111111111 0.44100157850983 15.999 > 1 22 O 0.22222222222222 0.44444444444444 0.44100157850983 15.999 > 1 23 O 0.55555555555556 0.44444444444444 0.44100157850983 15.999 > 1 24 O 0.88888888888889 0.44444444444444 0.44100157850983 15.999 > 1 25 O 0.22222222222222 0.77777777777778 0.44100157850983 15.999 > 1 26 O 0.55555555555556 0.77777777777778 0.44100157850983 15.999 > 1 27 O 0.88888888888889 0.77777777777778 0.44100157850983 15.999 > 1 28 O 0.11111111111111 0.22222222222222 0.55899842149017 15.999 > 2 29 O 0.44444444444444 0.22222222222222 0.55899842149017 15.999 > 2 30 O 0.77777777777778 0.22222222222222 0.55899842149017 15.999 > 2 31 O 0.11111111111111 0.55555555555556 0.55899842149017 15.999 > 2 32 O 0.44444444444444 0.55555555555556 0.55899842149017 15.999 > 2 33 O 0.77777777777778 0.55555555555556 0.55899842149017 15.999 > 2 34 O 0.11111111111111 0.88888888888889 0.55899842149017 15.999 > 2 35 O 0.44444444444444 0.88888888888889 0.55899842149017 15.999 > 2 36 O 0.77777777777778 0.88888888888889 0.55899842149017 15.999 > 2 37 O 0.11111111111111 0.22222222222222 0.77433491184316 15.999 > 1 38 O 0.44444444444444 0.22222222222222 0.77433491184316 15.999 > 1 39 O 0.77777777777778 0.22222222222222 0.77433491184316 15.999 > 1 40 O 0.11111111111111 0.55555555555556 0.77433491184316 15.999 > 1 41 O 0.44444444444444 0.55555555555556 0.77433491184316 15.999 > 1 42 O 0.77777777777778 0.55555555555556 0.77433491184316 15.999 > 1 43 O 0.11111111111111 0.88888888888889 0.77433491184316 15.999 > 1 44 O 0.44444444444444 0.88888888888889 0.77433491184316 15.999 > 1 45 O 0.77777777777778 0.88888888888889 0.77433491184316 15.999 > 1 46 O 0.00000000000000 0.00000000000000 0.89233175482351 15.999 > 2 47 O 0.33333333333333 0.00000000000000 0.89233175482351 15.999 > 2 48 O 0.66666666666667 0.00000000000000 0.89233175482351 15.999 > 2 49 O 0.00000000000000 0.33333333333333 0.89233175482351 15.999 > 2 50 O 0.33333333333333 0.33333333333333 0.89233175482351 15.999 > 2 51 O 0.66666666666667 0.33333333333333 0.89233175482351 15.999 > 2 52 O 0.00000000000000 0.66666666666667 0.89233175482351 15.999 > 2 53 O 0.33333333333333 0.66666666666667 0.89233175482351 15.999 > 2 54 O 0.66666666666667 0.66666666666667 0.89233175482351 15.999 > 2 *55 Cu 0.00000000000000 0.00000000000000 0.00000000000000 63.546 > 3 56 Cu 0.33333333333333 0.00000000000000 0.00000000000000 63.546 > 3 57 Cu 0.66666666666667 0.00000000000000 0.00000000000000 63.546 > 3 58 Cu 0.00000000000000 0.33333333333333 0.00000000000000 63.546 > 3 59 Cu 0.33333333333333 0.33333333333333 0.00000000000000 63.546 > 3 60 Cu 0.66666666666667 0.33333333333333 0.00000000000000 63.546 > 3 61 Cu 0.00000000000000 0.66666666666667 0.00000000000000 63.546 > 3 62 Cu 0.33333333333333 0.66666666666667 0.00000000000000 63.546 > 3 63 Cu 0.66666666666667 0.66666666666667 0.00000000000000 63.546 > 3 64 Cu 0.22222222222222 0.11111111111111 0.33333333333333 63.546 > 3 65 Cu 0.55555555555556 0.11111111111111 0.33333333333333 63.546 > 3 66 Cu 0.88888888888889 0.11111111111111 0.33333333333333 63.546 > 3 67 Cu 0.22222222222222 0.44444444444444 0.33333333333333 63.546 > 3 68 Cu 0.55555555555556 0.44444444444444 0.33333333333333 63.546 > 3 69 Cu 0.88888888888889 0.44444444444444 0.33333333333333 63.546 > 3 70 Cu 0.22222222222222 0.77777777777778 0.33333333333333 63.546 > 3 71 Cu 0.55555555555556 0.77777777777778 0.33333333333333 63.546 > 3 72 Cu 0.88888888888889 0.77777777777778 0.33333333333333 63.546 > 3 73 Cu 0.11111111111111 0.22222222222222 0.66666666666667 63.546 > 3 74 Cu 0.44444444444444 0.22222222222222 0.66666666666667 63.546 > 3 75 Cu 0.77777777777778 0.22222222222222 0.66666666666667 63.546 > 3 76 Cu 0.11111111111111 0.55555555555556 0.66666666666667 63.546 > 3 77 Cu 0.44444444444444 0.55555555555556 0.66666666666667 63.546 > 3 78 Cu 0.77777777777778 0.55555555555556 0.66666666666667 63.546 > 3 79 Cu 0.11111111111111 0.88888888888889 0.66666666666667 63.546 > 3 80 Cu 0.44444444444444 0.88888888888889 0.66666666666667 63.546 > 3 81 Cu 0.77777777777778 0.88888888888889 0.66666666666667 63.546 > 3 *82 Rh 0.11111111111111 0.22222222222222 0.16666666666667 102.906 > 4 83 Rh 0.44444444444444 0.22222222222222 0.16666666666667 102.906 > 4 84 Rh 0.77777777777778 0.22222222222222 0.16666666666667 102.906 > 4 85 Rh 0.11111111111111 0.55555555555556 0.16666666666667 102.906 > 4 86 Rh 0.44444444444444 0.55555555555556 0.16666666666667 102.906 > 4 87 Rh 0.77777777777778 0.55555555555556 0.16666666666667 102.906 > 4 88 Rh 0.11111111111111 0.88888888888889 0.16666666666667 102.906 > 4 89 Rh 0.44444444444444 0.88888888888889 0.16666666666667 102.906 > 4 90 Rh 0.77777777777778 0.88888888888889 0.16666666666667 102.906 > 4 91 Rh 0.00000000000000 0.00000000000000 0.50000000000000 102.906 > 4 92 Rh 0.33333333333333 0.00000000000000 0.50000000000000 102.906 > 4 93 Rh 0.66666666666667 0.00000000000000 0.50000000000000 102.906 > 4 94 Rh 0.00000000000000 0.33333333333333 0.50000000000000 102.906 > 4 95 Rh 0.33333333333333 0.33333333333333 0.50000000000000 102.906 > 4 96 Rh 0.66666666666667 0.33333333333333 0.50000000000000 102.906 > 4 97 Rh 0.00000000000000 0.66666666666667 0.50000000000000 102.906 > 4 98 Rh 0.33333333333333 0.66666666666667 0.50000000000000 102.906 > 4 99 Rh 0.66666666666667 0.66666666666667 0.50000000000000 102.906 > 4 100 Rh 0.22222222222222 0.11111111111111 0.83333333333333 102.906 > 4 101 Rh 0.55555555555556 0.11111111111111 0.83333333333333 102.906 > 4 102 Rh 0.88888888888889 0.11111111111111 0.83333333333333 102.906 > 4 103 Rh 0.22222222222222 0.44444444444444 0.83333333333333 102.906 > 4 104 Rh 0.55555555555556 0.44444444444444 0.83333333333333 102.906 > 4 105 Rh 0.88888888888889 0.44444444444444 0.83333333333333 102.906 > 4 106 Rh 0.22222222222222 0.77777777777778 0.83333333333333 102.906 > 4 107 Rh 0.55555555555556 0.77777777777778 0.83333333333333 102.906 > 4 108 Rh 0.88888888888889 0.77777777777778 0.83333333333333 102.906 > 4 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 12.6165982 -0.0000000 0.0000000 -0.0000000 12.6165982 0.0000000 0.0000000 0.0000000 11.2573497 -------------------------- Born effective charges -------------------------- 1 O -1.8412960 0.0000000 0.0000000 0.0000000 -1.8412960 0.0000000 0.0000000 0.0000000 -1.3173852 2 O -1.8412960 0.0000000 0.0000000 0.0000000 -1.8412960 0.0000000 0.0000000 0.0000000 -1.3173852 3 Cu 0.2900368 -0.0000000 0.0000000 0.0000000 0.2900368 0.0000000 0.0000000 0.0000000 1.4266589 4 Rh 3.3925551 -0.0000000 0.0000000 -0.0000000 3.3925551 0.0000000 0.0000000 0.0000000 1.2081115 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 324/324 Permutation basis: 2568/2568 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 215 Number of blocks in projector: 192 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 61 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 54 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (54, 51), data: True |-- (61, 61), data: True |-- (97, 94), data: True ----- Solver_atoms: 1 -- 108 / 108 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 80 / 80 - Time: 0.111 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.118 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 324/324 Permutation basis: 2568/2568 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 215 Number of blocks in projector: 192 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 61 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 54 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (54, 51), data: True |-- (61, 61), data: True |-- (97, 94), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 00:24:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:24:23]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.532899605892979 0.885020000102981 5.644753693333326 b -1.532899605892976 0.885020000102981 5.644753693333326 c 0.000000000000002 -1.770040000205965 5.644753693333326 Atomic positions (fractional): 1 O 0.10766824517650 0.10766824517650 0.10766824517649 15.999 2 O 0.89233175482351 0.89233175482351 0.89233175482351 15.999 3 Cu 0.00000000000000 0.00000000000000 0.00000000000000 63.546 4 Rh 0.50000000000000 0.50000000000000 0.50000000000000 102.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.197397635357868 0.000000000000000 0.000000000000000 b -4.598698817678934 7.965180000926837 0.000000000000000 c 0.000000000000000 0.000000000000000 16.934261079999995 Atomic positions (fractional): 1 O 0.00000000000000 0.00000000000000 0.10766824517649 15.999 > 1 2 O 0.33333333333333 0.00000000000000 0.10766824517649 15.999 > 1 3 O 0.66666666666667 0.00000000000000 0.10766824517649 15.999 > 1 4 O 0.00000000000000 0.33333333333333 0.10766824517649 15.999 > 1 5 O 0.33333333333333 0.33333333333333 0.10766824517649 15.999 > 1 6 O 0.66666666666667 0.33333333333333 0.10766824517649 15.999 > 1 7 O 0.00000000000000 0.66666666666667 0.10766824517649 15.999 > 1 8 O 0.33333333333333 0.66666666666667 0.10766824517649 15.999 > 1 9 O 0.66666666666667 0.66666666666667 0.10766824517649 15.999 > 1 10 O 0.22222222222222 0.11111111111111 0.22566508815684 15.999 > 10 11 O 0.55555555555556 0.11111111111111 0.22566508815684 15.999 > 10 12 O 0.88888888888889 0.11111111111111 0.22566508815684 15.999 > 10 13 O 0.22222222222222 0.44444444444444 0.22566508815684 15.999 > 10 14 O 0.55555555555556 0.44444444444444 0.22566508815684 15.999 > 10 15 O 0.88888888888889 0.44444444444444 0.22566508815684 15.999 > 10 16 O 0.22222222222222 0.77777777777778 0.22566508815684 15.999 > 10 17 O 0.55555555555556 0.77777777777778 0.22566508815684 15.999 > 10 18 O 0.88888888888889 0.77777777777778 0.22566508815684 15.999 > 10 19 O 0.22222222222222 0.11111111111111 0.44100157850983 15.999 > 1 20 O 0.55555555555556 0.11111111111111 0.44100157850983 15.999 > 1 21 O 0.88888888888889 0.11111111111111 0.44100157850983 15.999 > 1 22 O 0.22222222222222 0.44444444444444 0.44100157850983 15.999 > 1 23 O 0.55555555555556 0.44444444444444 0.44100157850983 15.999 > 1 24 O 0.88888888888889 0.44444444444444 0.44100157850983 15.999 > 1 25 O 0.22222222222222 0.77777777777778 0.44100157850983 15.999 > 1 26 O 0.55555555555556 0.77777777777778 0.44100157850983 15.999 > 1 27 O 0.88888888888889 0.77777777777778 0.44100157850983 15.999 > 1 28 O 0.11111111111111 0.22222222222222 0.55899842149017 15.999 > 10 29 O 0.44444444444444 0.22222222222222 0.55899842149017 15.999 > 10 30 O 0.77777777777778 0.22222222222222 0.55899842149017 15.999 > 10 31 O 0.11111111111111 0.55555555555556 0.55899842149017 15.999 > 10 32 O 0.44444444444444 0.55555555555556 0.55899842149017 15.999 > 10 33 O 0.77777777777778 0.55555555555556 0.55899842149017 15.999 > 10 34 O 0.11111111111111 0.88888888888889 0.55899842149017 15.999 > 10 35 O 0.44444444444444 0.88888888888889 0.55899842149017 15.999 > 10 36 O 0.77777777777778 0.88888888888889 0.55899842149017 15.999 > 10 37 O 0.11111111111111 0.22222222222222 0.77433491184316 15.999 > 1 38 O 0.44444444444444 0.22222222222222 0.77433491184316 15.999 > 1 39 O 0.77777777777778 0.22222222222222 0.77433491184316 15.999 > 1 40 O 0.11111111111111 0.55555555555556 0.77433491184316 15.999 > 1 41 O 0.44444444444444 0.55555555555556 0.77433491184316 15.999 > 1 42 O 0.77777777777778 0.55555555555556 0.77433491184316 15.999 > 1 43 O 0.11111111111111 0.88888888888889 0.77433491184316 15.999 > 1 44 O 0.44444444444444 0.88888888888889 0.77433491184316 15.999 > 1 45 O 0.77777777777778 0.88888888888889 0.77433491184316 15.999 > 1 46 O 0.00000000000000 0.00000000000000 0.89233175482351 15.999 > 10 47 O 0.33333333333333 0.00000000000000 0.89233175482351 15.999 > 10 48 O 0.66666666666667 0.00000000000000 0.89233175482351 15.999 > 10 49 O 0.00000000000000 0.33333333333333 0.89233175482351 15.999 > 10 50 O 0.33333333333333 0.33333333333333 0.89233175482351 15.999 > 10 51 O 0.66666666666667 0.33333333333333 0.89233175482351 15.999 > 10 52 O 0.00000000000000 0.66666666666667 0.89233175482351 15.999 > 10 53 O 0.33333333333333 0.66666666666667 0.89233175482351 15.999 > 10 54 O 0.66666666666667 0.66666666666667 0.89233175482351 15.999 > 10 55 Cu 0.00000000000000 0.00000000000000 0.00000000000000 63.546 > 55 56 Cu 0.33333333333333 0.00000000000000 0.00000000000000 63.546 > 55 57 Cu 0.66666666666667 0.00000000000000 0.00000000000000 63.546 > 55 58 Cu 0.00000000000000 0.33333333333333 0.00000000000000 63.546 > 55 59 Cu 0.33333333333333 0.33333333333333 0.00000000000000 63.546 > 55 60 Cu 0.66666666666667 0.33333333333333 0.00000000000000 63.546 > 55 61 Cu 0.00000000000000 0.66666666666667 0.00000000000000 63.546 > 55 62 Cu 0.33333333333333 0.66666666666667 0.00000000000000 63.546 > 55 63 Cu 0.66666666666667 0.66666666666667 0.00000000000000 63.546 > 55 64 Cu 0.22222222222222 0.11111111111111 0.33333333333333 63.546 > 55 65 Cu 0.55555555555556 0.11111111111111 0.33333333333333 63.546 > 55 66 Cu 0.88888888888889 0.11111111111111 0.33333333333333 63.546 > 55 67 Cu 0.22222222222222 0.44444444444444 0.33333333333333 63.546 > 55 68 Cu 0.55555555555556 0.44444444444444 0.33333333333333 63.546 > 55 69 Cu 0.88888888888889 0.44444444444444 0.33333333333333 63.546 > 55 70 Cu 0.22222222222222 0.77777777777778 0.33333333333333 63.546 > 55 71 Cu 0.55555555555556 0.77777777777778 0.33333333333333 63.546 > 55 72 Cu 0.88888888888889 0.77777777777778 0.33333333333333 63.546 > 55 73 Cu 0.11111111111111 0.22222222222222 0.66666666666667 63.546 > 55 74 Cu 0.44444444444444 0.22222222222222 0.66666666666667 63.546 > 55 75 Cu 0.77777777777778 0.22222222222222 0.66666666666667 63.546 > 55 76 Cu 0.11111111111111 0.55555555555556 0.66666666666667 63.546 > 55 77 Cu 0.44444444444444 0.55555555555556 0.66666666666667 63.546 > 55 78 Cu 0.77777777777778 0.55555555555556 0.66666666666667 63.546 > 55 79 Cu 0.11111111111111 0.88888888888889 0.66666666666667 63.546 > 55 80 Cu 0.44444444444444 0.88888888888889 0.66666666666667 63.546 > 55 81 Cu 0.77777777777778 0.88888888888889 0.66666666666667 63.546 > 55 82 Rh 0.11111111111111 0.22222222222222 0.16666666666667 102.906 > 82 83 Rh 0.44444444444444 0.22222222222222 0.16666666666667 102.906 > 82 84 Rh 0.77777777777778 0.22222222222222 0.16666666666667 102.906 > 82 85 Rh 0.11111111111111 0.55555555555556 0.16666666666667 102.906 > 82 86 Rh 0.44444444444444 0.55555555555556 0.16666666666667 102.906 > 82 87 Rh 0.77777777777778 0.55555555555556 0.16666666666667 102.906 > 82 88 Rh 0.11111111111111 0.88888888888889 0.16666666666667 102.906 > 82 89 Rh 0.44444444444444 0.88888888888889 0.16666666666667 102.906 > 82 90 Rh 0.77777777777778 0.88888888888889 0.16666666666667 102.906 > 82 91 Rh 0.00000000000000 0.00000000000000 0.50000000000000 102.906 > 82 92 Rh 0.33333333333333 0.00000000000000 0.50000000000000 102.906 > 82 93 Rh 0.66666666666667 0.00000000000000 0.50000000000000 102.906 > 82 94 Rh 0.00000000000000 0.33333333333333 0.50000000000000 102.906 > 82 95 Rh 0.33333333333333 0.33333333333333 0.50000000000000 102.906 > 82 96 Rh 0.66666666666667 0.33333333333333 0.50000000000000 102.906 > 82 97 Rh 0.00000000000000 0.66666666666667 0.50000000000000 102.906 > 82 98 Rh 0.33333333333333 0.66666666666667 0.50000000000000 102.906 > 82 99 Rh 0.66666666666667 0.66666666666667 0.50000000000000 102.906 > 82 100 Rh 0.22222222222222 0.11111111111111 0.83333333333333 102.906 > 82 101 Rh 0.55555555555556 0.11111111111111 0.83333333333333 102.906 > 82 102 Rh 0.88888888888889 0.11111111111111 0.83333333333333 102.906 > 82 103 Rh 0.22222222222222 0.44444444444444 0.83333333333333 102.906 > 82 104 Rh 0.55555555555556 0.44444444444444 0.83333333333333 102.906 > 82 105 Rh 0.88888888888889 0.44444444444444 0.83333333333333 102.906 > 82 106 Rh 0.22222222222222 0.77777777777778 0.83333333333333 102.906 > 82 107 Rh 0.55555555555556 0.77777777777778 0.83333333333333 102.906 > 82 108 Rh 0.88888888888889 0.77777777777778 0.83333333333333 102.906 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 12.6165982 -0.0000000 0.0000000 -0.0000000 12.6165982 0.0000000 0.0000000 0.0000000 11.2573497 -------------------------- Born effective charges -------------------------- 1 O -1.8412960 0.0000000 0.0000000 0.0000000 -1.8412960 0.0000000 0.0000000 0.0000000 -1.3173852 2 O -1.8412960 0.0000000 0.0000000 0.0000000 -1.8412960 0.0000000 0.0000000 0.0000000 -1.3173852 3 Cu 0.2900368 -0.0000000 0.0000000 0.0000000 0.2900368 0.0000000 0.0000000 0.0000000 1.4266589 4 Rh 3.3925551 -0.0000000 0.0000000 -0.0000000 3.3925551 0.0000000 0.0000000 0.0000000 1.2081115 ---------------------------------------------------------------------------- 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 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) 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 00:24:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:24:28]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.532899605892979 0.885020000102981 5.644753693333326 b -1.532899605892976 0.885020000102981 5.644753693333326 c 0.000000000000002 -1.770040000205965 5.644753693333326 Atomic positions (fractional): 1 O 0.10766824517650 0.10766824517650 0.10766824517649 15.999 2 O 0.89233175482351 0.89233175482351 0.89233175482351 15.999 3 Cu 0.00000000000000 0.00000000000000 0.00000000000000 63.546 4 Rh 0.50000000000000 0.50000000000000 0.50000000000000 102.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.197397635357868 0.000000000000000 0.000000000000000 b -4.598698817678934 7.965180000926837 0.000000000000000 c 0.000000000000000 0.000000000000000 16.934261079999995 Atomic positions (fractional): 1 O 0.00000000000000 0.00000000000000 0.10766824517649 15.999 > 1 2 O 0.33333333333333 0.00000000000000 0.10766824517649 15.999 > 1 3 O 0.66666666666667 0.00000000000000 0.10766824517649 15.999 > 1 4 O 0.00000000000000 0.33333333333333 0.10766824517649 15.999 > 1 5 O 0.33333333333333 0.33333333333333 0.10766824517649 15.999 > 1 6 O 0.66666666666667 0.33333333333333 0.10766824517649 15.999 > 1 7 O 0.00000000000000 0.66666666666667 0.10766824517649 15.999 > 1 8 O 0.33333333333333 0.66666666666667 0.10766824517649 15.999 > 1 9 O 0.66666666666667 0.66666666666667 0.10766824517649 15.999 > 1 10 O 0.22222222222222 0.11111111111111 0.22566508815684 15.999 > 10 11 O 0.55555555555556 0.11111111111111 0.22566508815684 15.999 > 10 12 O 0.88888888888889 0.11111111111111 0.22566508815684 15.999 > 10 13 O 0.22222222222222 0.44444444444444 0.22566508815684 15.999 > 10 14 O 0.55555555555556 0.44444444444444 0.22566508815684 15.999 > 10 15 O 0.88888888888889 0.44444444444444 0.22566508815684 15.999 > 10 16 O 0.22222222222222 0.77777777777778 0.22566508815684 15.999 > 10 17 O 0.55555555555556 0.77777777777778 0.22566508815684 15.999 > 10 18 O 0.88888888888889 0.77777777777778 0.22566508815684 15.999 > 10 19 O 0.22222222222222 0.11111111111111 0.44100157850983 15.999 > 1 20 O 0.55555555555556 0.11111111111111 0.44100157850983 15.999 > 1 21 O 0.88888888888889 0.11111111111111 0.44100157850983 15.999 > 1 22 O 0.22222222222222 0.44444444444444 0.44100157850983 15.999 > 1 23 O 0.55555555555556 0.44444444444444 0.44100157850983 15.999 > 1 24 O 0.88888888888889 0.44444444444444 0.44100157850983 15.999 > 1 25 O 0.22222222222222 0.77777777777778 0.44100157850983 15.999 > 1 26 O 0.55555555555556 0.77777777777778 0.44100157850983 15.999 > 1 27 O 0.88888888888889 0.77777777777778 0.44100157850983 15.999 > 1 28 O 0.11111111111111 0.22222222222222 0.55899842149017 15.999 > 10 29 O 0.44444444444444 0.22222222222222 0.55899842149017 15.999 > 10 30 O 0.77777777777778 0.22222222222222 0.55899842149017 15.999 > 10 31 O 0.11111111111111 0.55555555555556 0.55899842149017 15.999 > 10 32 O 0.44444444444444 0.55555555555556 0.55899842149017 15.999 > 10 33 O 0.77777777777778 0.55555555555556 0.55899842149017 15.999 > 10 34 O 0.11111111111111 0.88888888888889 0.55899842149017 15.999 > 10 35 O 0.44444444444444 0.88888888888889 0.55899842149017 15.999 > 10 36 O 0.77777777777778 0.88888888888889 0.55899842149017 15.999 > 10 37 O 0.11111111111111 0.22222222222222 0.77433491184316 15.999 > 1 38 O 0.44444444444444 0.22222222222222 0.77433491184316 15.999 > 1 39 O 0.77777777777778 0.22222222222222 0.77433491184316 15.999 > 1 40 O 0.11111111111111 0.55555555555556 0.77433491184316 15.999 > 1 41 O 0.44444444444444 0.55555555555556 0.77433491184316 15.999 > 1 42 O 0.77777777777778 0.55555555555556 0.77433491184316 15.999 > 1 43 O 0.11111111111111 0.88888888888889 0.77433491184316 15.999 > 1 44 O 0.44444444444444 0.88888888888889 0.77433491184316 15.999 > 1 45 O 0.77777777777778 0.88888888888889 0.77433491184316 15.999 > 1 46 O 0.00000000000000 0.00000000000000 0.89233175482351 15.999 > 10 47 O 0.33333333333333 0.00000000000000 0.89233175482351 15.999 > 10 48 O 0.66666666666667 0.00000000000000 0.89233175482351 15.999 > 10 49 O 0.00000000000000 0.33333333333333 0.89233175482351 15.999 > 10 50 O 0.33333333333333 0.33333333333333 0.89233175482351 15.999 > 10 51 O 0.66666666666667 0.33333333333333 0.89233175482351 15.999 > 10 52 O 0.00000000000000 0.66666666666667 0.89233175482351 15.999 > 10 53 O 0.33333333333333 0.66666666666667 0.89233175482351 15.999 > 10 54 O 0.66666666666667 0.66666666666667 0.89233175482351 15.999 > 10 55 Cu 0.00000000000000 0.00000000000000 0.00000000000000 63.546 > 55 56 Cu 0.33333333333333 0.00000000000000 0.00000000000000 63.546 > 55 57 Cu 0.66666666666667 0.00000000000000 0.00000000000000 63.546 > 55 58 Cu 0.00000000000000 0.33333333333333 0.00000000000000 63.546 > 55 59 Cu 0.33333333333333 0.33333333333333 0.00000000000000 63.546 > 55 60 Cu 0.66666666666667 0.33333333333333 0.00000000000000 63.546 > 55 61 Cu 0.00000000000000 0.66666666666667 0.00000000000000 63.546 > 55 62 Cu 0.33333333333333 0.66666666666667 0.00000000000000 63.546 > 55 63 Cu 0.66666666666667 0.66666666666667 0.00000000000000 63.546 > 55 64 Cu 0.22222222222222 0.11111111111111 0.33333333333333 63.546 > 55 65 Cu 0.55555555555556 0.11111111111111 0.33333333333333 63.546 > 55 66 Cu 0.88888888888889 0.11111111111111 0.33333333333333 63.546 > 55 67 Cu 0.22222222222222 0.44444444444444 0.33333333333333 63.546 > 55 68 Cu 0.55555555555556 0.44444444444444 0.33333333333333 63.546 > 55 69 Cu 0.88888888888889 0.44444444444444 0.33333333333333 63.546 > 55 70 Cu 0.22222222222222 0.77777777777778 0.33333333333333 63.546 > 55 71 Cu 0.55555555555556 0.77777777777778 0.33333333333333 63.546 > 55 72 Cu 0.88888888888889 0.77777777777778 0.33333333333333 63.546 > 55 73 Cu 0.11111111111111 0.22222222222222 0.66666666666667 63.546 > 55 74 Cu 0.44444444444444 0.22222222222222 0.66666666666667 63.546 > 55 75 Cu 0.77777777777778 0.22222222222222 0.66666666666667 63.546 > 55 76 Cu 0.11111111111111 0.55555555555556 0.66666666666667 63.546 > 55 77 Cu 0.44444444444444 0.55555555555556 0.66666666666667 63.546 > 55 78 Cu 0.77777777777778 0.55555555555556 0.66666666666667 63.546 > 55 79 Cu 0.11111111111111 0.88888888888889 0.66666666666667 63.546 > 55 80 Cu 0.44444444444444 0.88888888888889 0.66666666666667 63.546 > 55 81 Cu 0.77777777777778 0.88888888888889 0.66666666666667 63.546 > 55 82 Rh 0.11111111111111 0.22222222222222 0.16666666666667 102.906 > 82 83 Rh 0.44444444444444 0.22222222222222 0.16666666666667 102.906 > 82 84 Rh 0.77777777777778 0.22222222222222 0.16666666666667 102.906 > 82 85 Rh 0.11111111111111 0.55555555555556 0.16666666666667 102.906 > 82 86 Rh 0.44444444444444 0.55555555555556 0.16666666666667 102.906 > 82 87 Rh 0.77777777777778 0.55555555555556 0.16666666666667 102.906 > 82 88 Rh 0.11111111111111 0.88888888888889 0.16666666666667 102.906 > 82 89 Rh 0.44444444444444 0.88888888888889 0.16666666666667 102.906 > 82 90 Rh 0.77777777777778 0.88888888888889 0.16666666666667 102.906 > 82 91 Rh 0.00000000000000 0.00000000000000 0.50000000000000 102.906 > 82 92 Rh 0.33333333333333 0.00000000000000 0.50000000000000 102.906 > 82 93 Rh 0.66666666666667 0.00000000000000 0.50000000000000 102.906 > 82 94 Rh 0.00000000000000 0.33333333333333 0.50000000000000 102.906 > 82 95 Rh 0.33333333333333 0.33333333333333 0.50000000000000 102.906 > 82 96 Rh 0.66666666666667 0.33333333333333 0.50000000000000 102.906 > 82 97 Rh 0.00000000000000 0.66666666666667 0.50000000000000 102.906 > 82 98 Rh 0.33333333333333 0.66666666666667 0.50000000000000 102.906 > 82 99 Rh 0.66666666666667 0.66666666666667 0.50000000000000 102.906 > 82 100 Rh 0.22222222222222 0.11111111111111 0.83333333333333 102.906 > 82 101 Rh 0.55555555555556 0.11111111111111 0.83333333333333 102.906 > 82 102 Rh 0.88888888888889 0.11111111111111 0.83333333333333 102.906 > 82 103 Rh 0.22222222222222 0.44444444444444 0.83333333333333 102.906 > 82 104 Rh 0.55555555555556 0.44444444444444 0.83333333333333 102.906 > 82 105 Rh 0.88888888888889 0.44444444444444 0.83333333333333 102.906 > 82 106 Rh 0.22222222222222 0.77777777777778 0.83333333333333 102.906 > 82 107 Rh 0.55555555555556 0.77777777777778 0.83333333333333 102.906 > 82 108 Rh 0.88888888888889 0.77777777777778 0.83333333333333 102.906 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 12.6165982 -0.0000000 0.0000000 -0.0000000 12.6165982 0.0000000 0.0000000 0.0000000 11.2573497 -------------------------- Born effective charges -------------------------- 1 O -1.8412960 0.0000000 0.0000000 0.0000000 -1.8412960 0.0000000 0.0000000 0.0000000 -1.3173852 2 O -1.8412960 0.0000000 0.0000000 0.0000000 -1.8412960 0.0000000 0.0000000 0.0000000 -1.3173852 3 Cu 0.2900368 -0.0000000 0.0000000 0.0000000 0.2900368 0.0000000 0.0000000 0.0000000 1.4266589 4 Rh 3.3925551 -0.0000000 0.0000000 -0.0000000 3.3925551 0.0000000 0.0000000 0.0000000 1.2081115 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 19 19 19 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 1.16, Number of G-points: 313, Lambda: 0.42 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/670) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 670 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 4.099 ( 0.000 0.000 0.000) 0.000 4.099 ( 0.000 0.000 0.000) 0.000 9.595 ( 0.000 0.000 0.000) 0.000 14.486 ( 0.000 0.000 0.000) 0.000 14.486 ( 0.000 0.000 0.000) 0.000 17.542 ( 0.000 0.000 0.000) 0.000 17.542 ( 0.000 0.000 0.000) 0.000 19.557 ( 0.000 0.000 0.000) 0.000 20.737 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/670) ======================= q-point: ( 0.05 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.495 ( 18.338 10.588 27.610) 34.795 0.650 ( 27.648 15.963 5.528) 32.400 1.127 ( 46.837 27.041 3.002) 54.166 4.119 ( 2.097 1.211 -2.146) 3.235 4.151 ( 4.578 2.643 0.001) 5.286 9.558 ( -2.811 -1.623 -2.619) 4.171 14.472 ( -1.395 -0.805 1.823) 2.433 14.526 ( 3.448 1.991 0.017) 3.981 17.477 ( -5.355 -3.091 -1.837) 6.450 18.571 ( -3.572 -2.062 -17.787) 18.259 19.583 ( 2.173 1.255 -0.773) 2.626 20.735 ( -3.161 -1.825 10.539) 11.153 ======================= Grid point 2 (3/670) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( 20.562 11.872 25.201) 34.625 1.297 ( 27.159 15.680 6.629) 32.053 2.094 ( 34.773 20.076 3.456) 40.301 4.185 ( 4.715 2.722 -4.515) 7.073 4.366 ( 15.998 9.236 0.121) 18.473 9.450 ( -5.577 -3.220 -5.060) 8.190 14.436 ( -2.410 -1.391 3.492) 4.465 14.640 ( 6.371 3.678 0.249) 7.361 17.290 ( -10.112 -5.838 -3.538) 12.201 18.382 ( -9.117 -5.264 -8.074) 13.267 19.638 ( 2.640 1.524 -1.100) 3.241 20.674 ( -4.236 -2.445 5.028) 7.014 ======================= Grid point 3 (4/670) ======================= q-point: ( 0.16 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( 23.494 13.564 20.860) 34.222 1.922 ( 25.002 14.435 8.365) 30.058 2.666 ( 13.881 8.014 5.415) 16.918 4.317 ( 8.636 4.986 -7.183) 12.289 4.951 ( 35.110 20.271 -0.046) 40.542 9.272 ( -8.288 -4.785 -7.133) 11.936 14.388 ( -2.793 -1.613 4.878) 5.848 14.812 ( 8.310 4.798 0.919) 9.639 17.001 ( -13.727 -7.925 -5.064) 16.640 18.112 ( -12.579 -7.263 -4.732) 15.277 19.690 ( 2.082 1.202 -1.276) 2.721 20.572 ( -5.860 -3.383 3.167) 7.471 ======================= Grid point 4 (5/670) ======================= q-point: ( 0.21 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( 25.378 14.652 10.461) 31.115 2.471 ( 19.846 11.458 10.068) 25.030 2.840 ( 1.407 0.813 13.731) 13.827 4.552 ( 14.572 8.413 -9.606) 19.375 5.900 ( 45.911 26.506 -0.928) 53.021 9.027 ( -10.963 -6.330 -8.555) 15.279 14.343 ( -2.482 -1.433 5.904) 6.563 15.016 ( 8.823 5.094 2.322) 10.449 16.643 ( -15.649 -9.035 -6.609) 19.241 17.780 ( -15.395 -8.889 -2.955) 18.021 19.725 ( 1.421 0.821 -1.615) 2.303 20.427 ( -7.453 -4.303 2.381) 8.930 ======================= Grid point 5 (6/670) ======================= q-point: ( 0.26 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.622 ( 4.692 2.709 -15.111) 16.052 2.874 ( 12.547 7.244 10.257) 17.751 3.073 ( 18.906 10.915 37.759) 43.615 4.931 ( 21.040 12.148 -10.365) 26.414 6.975 ( 47.412 27.374 -3.491) 54.858 8.721 ( -13.378 -7.724 -8.300) 17.537 14.315 ( -1.594 -0.920 6.550) 6.804 15.214 ( 7.004 4.044 5.035) 9.527 16.263 ( -14.825 -8.559 -8.823) 19.259 17.391 ( -17.878 -10.322 -1.934) 20.735 19.747 ( 1.055 0.609 -2.310) 2.611 20.249 ( -8.591 -4.960 2.333) 10.191 ======================= Grid point 6 (7/670) ======================= q-point: ( 0.32 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.542 ( -5.266 -3.040 -7.489) 9.646 3.117 ( 6.505 3.755 8.520) 11.358 3.753 ( 28.282 16.328 29.125) 43.757 5.426 ( 24.091 13.909 -9.041) 29.250 7.943 ( 30.693 17.720 -19.609) 40.504 8.432 ( -2.504 -1.446 5.563) 6.269 14.313 ( -0.352 -0.203 6.813) 6.825 15.326 ( -0.664 -0.384 9.159) 9.192 15.956 ( -7.500 -4.330 -12.030) 14.823 16.954 ( -19.646 -11.343 -1.555) 22.739 19.761 ( 1.026 0.592 -3.771) 3.953 20.056 ( -8.907 -5.142 3.356) 10.819 ======================= Grid point 7 (8/670) ======================= q-point: ( 0.37 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.386 ( -6.302 -3.638 -4.044) 8.325 3.244 ( 3.015 1.741 6.027) 6.961 4.505 ( 29.749 17.176 25.105) 42.548 5.938 ( 21.982 12.692 -6.742) 26.263 7.799 ( -17.238 -9.953 -21.891) 29.588 9.070 ( 35.517 20.506 5.675) 41.402 14.342 ( 0.991 0.572 6.592) 6.690 15.207 ( -10.429 -6.021 7.222) 14.042 15.886 ( 2.931 1.692 -9.053) 9.665 16.494 ( -19.690 -11.368 -1.714) 22.801 19.770 ( 1.468 0.847 -9.104) 9.260 19.873 ( -8.396 -4.848 8.550) 12.926 ======================= Grid point 8 (9/670) ======================= q-point: ( 0.42 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.245 ( -4.854 -2.803 -2.098) 5.985 3.306 ( 1.250 0.722 3.532) 3.815 5.259 ( 29.361 16.952 22.907) 40.916 6.356 ( 15.353 8.864 -4.153) 18.208 7.277 ( -22.094 -12.756 -20.374) 32.649 9.800 ( 25.825 14.910 2.141) 29.897 14.396 ( 1.994 1.151 5.436) 5.904 14.985 ( -9.162 -5.290 3.391) 11.110 15.954 ( 3.713 2.144 -4.322) 6.088 16.069 ( -16.203 -9.355 -1.924) 18.808 19.720 ( -3.419 -1.974 -9.933) 10.689 19.786 ( -1.341 -0.774 9.492) 9.618 ======================= Grid point 9 (10/670) ======================= q-point: ( 0.47 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.163 ( -1.821 -1.051 -0.655) 2.202 3.330 ( 0.333 0.192 1.160) 1.222 5.981 ( 27.311 15.768 21.155) 37.974 6.591 ( 5.520 3.187 -1.408) 6.528 6.672 ( -24.835 -14.339 -20.290) 35.129 10.218 ( 9.533 5.504 0.568) 11.022 14.452 ( 1.297 0.749 2.338) 2.777 14.843 ( -3.435 -1.983 1.012) 4.093 15.788 ( -6.790 -3.920 -1.041) 7.909 16.006 ( 1.415 0.817 -1.283) 2.078 19.641 ( -1.580 -0.912 -1.667) 2.471 19.788 ( -0.118 -0.068 1.502) 1.508 ======================= Grid point 20 (11/670) ======================= q-point: ( 0.05 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.517 ( -0.000 17.684 28.799) 33.795 0.625 ( -0.000 31.391 0.322) 31.393 1.218 ( -0.000 52.691 22.450) 57.274 4.125 ( 0.000 2.952 -0.978) 3.110 4.134 ( 0.000 4.592 -3.557) 5.809 9.547 ( 0.000 -3.146 -5.096) 5.989 14.468 ( -0.000 -1.985 0.970) 2.209 14.538 ( -0.000 4.355 2.665) 5.106 17.481 ( 0.000 -5.762 -0.969) 5.843 18.480 ( 0.000 2.462 -33.439) 33.530 19.579 ( 0.000 2.210 -1.021) 2.434 20.782 ( -0.000 -7.213 17.608) 19.028 ======================= Grid point 21 (12/670) ======================= q-point: ( 0.11 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( 13.618 13.947 28.434) 34.474 1.154 ( 19.176 26.300 3.923) 32.784 1.954 ( 18.015 41.192 18.212) 48.508 4.158 ( 1.176 4.939 -4.140) 6.551 4.260 ( 8.077 10.401 -3.041) 13.515 9.465 ( -2.848 -4.545 -7.254) 9.022 14.446 ( -0.438 -2.972 2.685) 4.029 14.621 ( 2.466 6.444 2.817) 7.453 17.350 ( -6.146 -8.171 -2.766) 10.592 18.375 ( -2.045 -6.269 -17.897) 19.074 19.613 ( 1.681 2.125 -1.859) 3.286 20.730 ( -3.275 -4.657 9.579) 11.143 ======================= Grid point 22 (13/670) ======================= q-point: ( 0.16 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( 20.166 11.351 25.729) 34.605 1.759 ( 20.401 23.257 5.093) 31.353 2.605 ( 12.262 21.834 16.245) 29.850 4.246 ( 4.201 7.283 -6.775) 10.798 4.671 ( 22.972 23.552 -2.996) 33.036 9.315 ( -5.693 -5.819 -8.893) 12.056 14.411 ( -1.174 -3.544 4.798) 6.079 14.766 ( 5.016 7.882 2.650) 9.712 17.102 ( -10.427 -10.284 -4.671) 15.372 18.173 ( -6.846 -9.784 -10.336) 15.793 19.657 ( 2.182 1.147 -2.790) 3.723 20.641 ( -4.884 -4.226 6.306) 9.027 ======================= Grid point 23 (14/670) ======================= q-point: ( 0.21 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( 23.200 10.362 18.603) 31.491 2.318 ( 18.274 17.373 3.720) 25.488 2.916 ( 2.057 9.492 21.068) 23.199 4.420 ( 8.862 11.206 -9.367) 17.083 5.478 ( 36.867 33.290 -2.839) 49.754 9.100 ( -8.519 -6.965 -9.748) 14.700 14.369 ( -1.427 -3.784 6.449) 7.612 14.959 ( 6.687 8.504 3.086) 11.250 16.770 ( -13.332 -11.472 -6.178) 18.642 17.890 ( -10.635 -11.421 -6.738) 16.998 19.689 ( 2.096 -0.044 -4.169) 4.666 20.518 ( -6.666 -4.429 5.635) 9.787 ======================= Grid point 24 (15/670) ======================= q-point: ( 0.26 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.444 ( 17.349 7.214 -1.564) 18.854 2.695 ( 12.438 3.565 7.574) 14.993 3.150 ( 5.831 14.670 33.775) 37.282 4.731 ( 15.151 16.702 -10.684) 24.953 6.496 ( 42.030 34.250 -4.384) 54.395 8.827 ( -11.167 -7.830 -9.115) 16.404 14.330 ( -0.939 -4.124 7.552) 8.656 15.173 ( 6.804 8.359 4.447) 11.660 16.393 ( -14.500 -11.212 -7.687) 19.876 17.543 ( -13.866 -12.461 -4.747) 19.238 19.702 ( 2.094 -1.125 -6.602) 7.017 20.363 ( -8.335 -4.509 6.812) 11.671 ======================= Grid point 25 (16/670) ======================= q-point: ( 0.32 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.551 ( -1.195 -0.844 -11.681) 11.772 2.986 ( 13.241 -0.606 12.776) 18.409 3.637 ( 17.652 19.087 33.990) 42.794 5.194 ( 19.806 21.150 -9.557) 30.512 7.503 ( 38.530 28.244 -11.918) 49.237 8.530 ( -10.573 -6.051 -2.708) 12.479 14.303 ( 0.300 -5.122 8.091) 9.581 15.366 ( 3.572 7.201 7.458) 10.965 16.027 ( -12.163 -8.753 -10.153) 18.101 17.141 ( -16.634 -12.872 -3.702) 21.356 19.698 ( 2.395 -2.028 -10.828) 11.274 20.192 ( -9.424 -4.152 10.204) 14.497 ======================= Grid point 26 (17/670) ======================= q-point: ( 0.37 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.437 ( -5.162 -2.757 -7.623) 9.610 3.173 ( 7.252 -2.528 7.872) 10.998 4.296 ( 24.749 18.546 29.766) 42.924 5.732 ( 19.669 22.183 -7.003) 30.462 7.873 ( -7.346 -4.526 -26.214) 27.598 8.729 ( 28.541 19.933 10.450) 36.347 14.288 ( 2.223 -7.412 7.950) 11.094 15.408 ( -9.819 2.996 8.471) 13.309 15.823 ( 0.605 -1.565 -10.160) 10.298 16.703 ( -18.386 -12.042 -3.396) 22.240 19.676 ( 2.687 -2.543 -17.374) 17.764 20.031 ( -9.293 -3.436 16.276) 19.055 ======================= Grid point 27 (18/670) ======================= q-point: ( 0.42 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.298 ( -5.289 -2.254 -5.149) 7.718 3.256 ( 4.247 -3.634 4.572) 7.221 5.012 ( 27.445 17.024 26.039) 41.486 6.226 ( 14.656 19.579 -4.129) 24.803 7.457 ( -19.321 -10.328 -21.019) 30.361 9.481 ( 29.721 17.061 4.241) 34.531 14.279 ( 4.663 -11.183 6.744) 13.867 15.223 ( -14.494 4.647 2.539) 15.431 15.879 ( 5.029 1.072 -2.925) 5.916 16.271 ( -17.644 -8.646 -3.484) 19.955 19.632 ( 2.330 -1.908 -23.479) 23.671 19.916 ( -7.262 -3.117 22.250) 23.612 ======================= Grid point 28 (19/670) ======================= q-point: ( 0.47 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( -3.346 -0.617 -3.449) 4.844 3.287 ( 2.891 -4.247 1.893) 5.475 5.723 ( 27.715 14.772 22.846) 38.837 6.547 ( 3.799 8.796 -2.610) 9.931 6.938 ( -21.689 -5.250 -17.758) 28.519 10.037 ( 18.548 7.217 1.825) 19.986 14.266 ( 7.011 -14.952 3.965) 16.984 15.073 ( -11.978 10.587 0.214) 15.988 15.875 ( -6.949 -5.495 -2.025) 9.088 16.014 ( -2.470 2.556 -0.462) 3.584 19.584 ( 2.210 0.188 -24.401) 24.502 19.855 ( -4.423 -3.622 23.332) 24.022 ======================= Grid point 29 (20/670) ======================= q-point: (-0.47 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.158 ( -0.115 1.486 -2.065) 2.546 3.287 ( 2.144 -4.644 -0.471) 5.137 6.205 ( -23.089 -14.618 -15.717) 31.525 6.380 ( 23.200 8.040 16.746) 29.721 6.807 ( -5.809 15.789 2.576) 17.020 10.238 ( 1.840 -3.884 0.490) 4.326 14.249 ( 8.244 -16.149 0.103) 18.132 15.019 ( -8.575 14.240 -2.039) 16.747 15.760 ( -0.289 1.820 -1.130) 2.162 16.032 ( -0.622 1.341 2.793) 3.160 19.573 ( 3.616 2.674 -23.224) 23.656 19.829 ( -2.521 -4.153 22.507) 23.025 ======================= Grid point 30 (21/670) ======================= q-point: (-0.42 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( 3.333 3.341 -0.752) 4.778 3.265 ( 1.374 -5.113 -2.682) 5.935 5.531 ( -28.820 -16.216 -17.896) 37.601 6.574 ( -10.884 0.962 3.307) 11.416 7.111 ( 18.437 15.502 19.078) 30.728 10.025 ( -16.278 -12.958 -0.721) 20.819 14.233 ( 7.922 -14.034 -3.166) 16.424 15.050 ( -3.427 15.417 -4.544) 16.434 15.891 ( 9.082 3.688 1.258) 9.882 16.036 ( -0.646 3.399 4.360) 5.566 19.618 ( 5.783 4.498 -23.551) 24.664 19.825 ( -1.416 -4.043 23.247) 23.638 ======================= Grid point 31 (22/670) ======================= q-point: (-0.37 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.327 ( 5.896 4.382 0.686) 7.378 3.212 ( 0.019 -6.089 -4.835) 7.775 4.803 ( -31.012 -15.208 -18.422) 39.146 6.269 ( -22.944 -3.093 4.886) 23.662 7.644 ( 19.738 11.468 18.826) 29.589 9.449 ( -31.119 -18.142 -2.580) 36.113 14.224 ( 6.367 -9.879 -4.863) 12.720 15.177 ( 2.413 14.435 -7.062) 16.250 15.934 ( -1.937 -3.486 8.242) 9.156 16.291 ( 16.423 11.210 0.716) 19.897 19.695 ( 5.898 3.610 -22.225) 23.275 19.859 ( 1.078 -1.614 22.257) 22.341 ======================= Grid point 32 (23/670) ======================= q-point: (-0.32 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.488 ( 6.831 4.358 2.564) 8.498 3.102 ( -2.739 -8.539 -6.986) 11.367 4.064 ( -31.828 -12.345 -19.356) 39.244 5.798 ( -27.637 -6.208 6.808) 29.132 8.102 ( 12.888 6.147 22.231) 26.422 8.635 ( -37.008 -17.652 -9.022) 41.983 14.226 ( 4.774 -5.834 -5.335) 9.236 15.323 ( 1.379 9.452 -9.452) 13.438 15.928 ( 2.480 -0.786 11.865) 12.147 16.719 ( 19.921 10.275 0.168) 22.415 19.735 ( 2.582 0.253 -9.912) 10.246 19.979 ( 5.898 2.641 10.087) 11.980 ======================= Grid point 33 (24/670) ======================= q-point: (-0.26 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.647 ( 5.213 2.994 6.518) 8.867 2.872 ( -8.960 -14.822 -10.082) 20.041 3.373 ( -29.710 -5.213 -21.069) 36.794 5.277 ( -26.941 -7.033 8.046) 28.983 7.577 ( -48.266 -20.856 3.921) 52.725 8.572 ( 15.083 7.149 6.256) 17.825 14.241 ( 3.993 -2.923 -5.142) 7.137 15.303 ( -6.589 1.766 -6.124) 9.167 16.119 ( 12.618 4.744 9.430) 16.451 17.159 ( 20.006 8.567 0.140) 21.763 19.740 ( 0.856 -0.736 -3.307) 3.494 20.153 ( 7.838 3.790 3.375) 9.337 ======================= Grid point 34 (25/670) ======================= q-point: (-0.21 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.397 ( -20.720 -19.614 -10.903) 30.544 2.708 ( -9.893 -2.568 9.697) 14.089 2.884 ( -12.678 3.826 -22.921) 26.471 4.818 ( -21.414 -5.585 7.848) 23.480 6.518 ( -51.342 -19.039 0.345) 54.760 8.902 ( 13.209 5.300 6.860) 15.800 14.274 ( 3.882 -1.135 -4.506) 6.055 15.141 ( -10.003 -1.288 -2.453) 10.379 16.458 ( 16.611 6.025 6.171) 18.717 17.568 ( 18.566 6.631 0.582) 19.724 19.731 ( -0.170 -0.857 -0.961) 1.299 20.332 ( 7.814 3.396 0.705) 8.549 ======================= Grid point 35 (26/670) ======================= q-point: (-0.16 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( -23.853 -16.025 -13.533) 31.764 2.282 ( -27.789 -3.924 -4.449) 28.415 2.802 ( -6.128 0.505 -3.285) 6.971 4.491 ( -14.190 -3.173 5.875) 15.682 5.488 ( -47.356 -14.476 -0.666) 49.523 9.169 ( 10.719 3.445 4.992) 12.315 14.322 ( 3.924 -0.222 -3.447) 5.228 14.941 ( -10.473 -1.781 -0.670) 10.644 16.818 ( 16.545 5.010 4.060) 17.757 17.928 ( 16.472 4.634 1.285) 17.159 19.710 ( -1.186 -0.821 -0.068) 1.444 20.487 ( 6.738 2.400 -0.612) 7.179 ======================= Grid point 36 (27/670) ======================= q-point: (-0.11 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( -23.501 -10.629 -11.352) 28.180 1.719 ( -31.471 -3.357 -3.485) 31.841 2.529 ( -25.179 -3.579 -0.368) 25.435 4.292 ( -8.567 -1.209 3.041) 9.170 4.681 ( -31.847 -6.670 -0.798) 32.548 9.369 ( 8.172 1.690 2.595) 8.739 14.379 ( 3.661 0.069 -1.939) 4.143 14.754 ( -9.278 -1.165 0.007) 9.351 17.134 ( 14.139 2.910 2.146) 14.594 18.231 ( 14.052 2.505 1.772) 14.383 19.673 ( -2.252 -0.635 0.223) 2.351 20.604 ( 5.129 1.195 -1.185) 5.398 ======================= Grid point 37 (28/670) ======================= q-point: (-0.05 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.725 ( -22.615 -0.000 0.000) 22.615 1.137 ( -32.975 -0.000 0.000) 32.975 1.872 ( -46.297 -0.000 0.000) 46.297 4.178 ( -4.866 -0.000 0.000) 4.866 4.274 ( -13.254 -0.000 0.000) 13.254 9.499 ( 5.543 0.000 -0.000) 5.543 14.433 ( 2.853 0.000 -0.000) 2.853 14.608 ( -6.851 -0.000 0.000) 6.851 17.363 ( 10.160 0.000 -0.000) 10.160 18.464 ( 10.992 0.000 -0.000) 10.992 19.625 ( -2.895 -0.000 0.000) 2.895 20.680 ( 3.345 0.000 -0.000) 3.345 ======================= Grid point 40 (29/670) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( -0.000 19.955 27.217) 33.748 1.245 ( -0.000 30.463 1.151) 30.484 2.312 ( -0.000 40.238 25.953) 47.882 4.208 ( 0.000 6.616 -2.055) 6.927 4.286 ( 0.000 16.651 -8.319) 18.613 9.413 ( 0.000 -5.638 -9.014) 10.632 14.425 ( -0.000 -3.170 2.429) 3.994 14.684 ( -0.000 7.722 4.845) 9.116 17.305 ( 0.000 -10.861 -1.962) 11.037 18.259 ( 0.000 -7.776 -19.502) 20.995 19.612 ( 0.000 1.668 -2.628) 3.112 20.738 ( -0.000 -5.550 9.620) 11.106 ======================= Grid point 41 (30/670) ======================= q-point: ( 0.16 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( 6.401 18.793 25.318) 32.174 1.701 ( 15.064 26.337 2.293) 30.427 2.776 ( 4.149 24.646 26.077) 36.120 4.274 ( 0.435 9.902 -4.923) 11.067 4.599 ( 13.552 29.433 -7.669) 33.298 9.298 ( -2.931 -6.505 -10.140) 12.398 14.399 ( -0.340 -3.603 4.067) 5.444 14.802 ( 2.273 8.933 5.007) 10.490 17.123 ( -6.340 -12.554 -3.330) 14.453 18.097 ( -1.810 -11.407 -14.994) 18.926 19.624 ( 1.277 0.232 -4.054) 4.256 20.688 ( -2.889 -4.763 8.256) 9.960 ======================= Grid point 42 (31/670) ======================= q-point: ( 0.21 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.804 ( 13.738 14.615 22.105) 29.849 2.212 ( 15.641 19.926 -0.214) 25.332 3.073 ( 1.303 11.645 27.289) 29.698 4.409 ( 4.118 14.234 -7.469) 16.594 5.282 ( 26.560 40.217 -5.819) 48.546 9.122 ( -5.887 -7.143 -10.377) 13.905 14.367 ( -0.884 -4.136 6.243) 7.541 14.967 ( 4.445 9.620 4.599) 11.552 16.834 ( -10.405 -13.334 -5.018) 17.642 17.873 ( -5.169 -13.733 -10.812) 18.227 19.629 ( 1.936 -1.709 -6.120) 6.643 20.600 ( -5.176 -4.015 8.086) 10.406 ======================= Grid point 43 (32/670) ======================= q-point: ( 0.26 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.241 ( 15.695 8.970 11.275) 21.305 2.578 ( 10.005 8.817 -0.242) 13.338 3.310 ( 3.852 12.532 32.698) 35.229 4.672 ( 9.859 20.531 -8.789) 24.412 6.200 ( 33.625 41.114 -5.985) 53.449 8.893 ( -8.697 -7.375 -9.173) 14.634 14.325 ( -1.237 -4.993 8.039) 9.544 15.168 ( 5.977 9.543 4.476) 12.117 16.486 ( -12.612 -12.717 -6.219) 18.959 17.583 ( -8.685 -14.809 -7.968) 18.927 19.616 ( 2.303 -3.651 -9.014) 9.995 20.484 ( -7.194 -3.306 9.381) 12.276 ======================= Grid point 44 (33/670) ======================= q-point: ( 0.32 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.484 ( 5.035 0.777 -9.513) 10.791 2.810 ( 10.821 1.534 13.926) 17.702 3.685 ( 10.759 16.949 33.008) 38.634 5.102 ( 15.564 26.641 -7.869) 31.841 7.150 ( 33.996 34.611 -10.687) 49.677 8.638 ( -9.807 -5.614 -4.223) 12.064 14.274 ( -1.099 -6.824 9.011) 11.357 15.381 ( 6.293 8.856 5.125) 12.012 16.127 ( -13.131 -10.118 -7.095) 18.032 17.235 ( -11.915 -14.838 -6.170) 20.005 19.580 ( 2.703 -5.193 -12.801) 14.076 20.350 ( -8.704 -2.537 11.987) 15.030 ======================= Grid point 45 (34/670) ======================= q-point: ( 0.37 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.450 ( -2.159 -2.317 -10.716) 11.175 3.020 ( 9.186 -3.509 11.246) 14.938 4.209 ( 17.882 18.435 30.332) 39.745 5.653 ( 17.453 29.364 -5.476) 34.595 7.781 ( 9.889 8.662 -25.654) 28.826 8.595 ( 10.021 12.584 10.685) 19.312 14.206 ( -0.318 -10.117 8.849) 13.445 15.575 ( 2.769 8.260 8.082) 11.883 15.814 ( -9.675 -5.893 -9.226) 14.610 16.849 ( -14.486 -13.361 -5.186) 20.378 19.529 ( 3.215 -5.839 -17.039) 18.297 20.215 ( -9.298 -1.971 15.411) 18.107 ======================= Grid point 46 (35/670) ======================= q-point: ( 0.42 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.340 ( -4.040 -1.985 -8.533) 9.648 3.128 ( 6.274 -6.397 6.803) 11.250 4.831 ( 22.797 17.511 26.769) 39.280 6.207 ( 14.212 27.891 -2.733) 31.422 7.592 ( -13.937 -7.133 -22.287) 27.237 9.185 ( 26.526 18.916 7.151) 33.355 14.118 ( 1.272 -14.211 7.328) 16.040 15.526 ( -13.491 5.112 0.687) 14.443 15.788 ( 6.347 1.472 -0.293) 6.522 16.458 ( -15.421 -9.376 -4.686) 18.646 19.475 ( 3.808 -5.061 -20.795) 21.738 20.092 ( -8.731 -2.061 18.764) 20.798 ======================= Grid point 47 (36/670) ======================= q-point: ( 0.47 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.236 ( -3.596 -0.270 -6.655) 7.569 3.166 ( 4.780 -7.776 3.542) 9.791 5.486 ( 25.031 15.331 23.017) 37.301 6.609 ( 3.373 16.448 -1.169) 16.831 7.186 ( -16.910 -1.036 -17.498) 24.356 9.769 ( 21.824 8.925 3.627) 23.856 14.022 ( 3.795 -17.118 4.621) 18.132 15.380 ( -11.447 9.453 -1.182) 14.893 15.873 ( 1.394 -1.751 1.581) 2.741 16.149 ( -10.881 -0.901 -2.701) 11.248 19.437 ( 4.527 -2.795 -23.248) 23.849 19.993 ( -7.138 -2.910 21.243) 22.599 ======================= Grid point 48 (37/670) ======================= q-point: ( 0.53 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.180 ( -1.531 1.965 -5.061) 5.641 3.168 ( 4.073 -8.436 0.999) 9.421 6.118 ( 24.403 12.272 18.729) 33.119 6.413 ( -20.964 -11.813 -11.392) 26.623 7.107 ( -6.325 21.719 -1.693) 22.685 10.095 ( 10.695 -2.591 1.741) 11.141 13.948 ( 6.752 -17.581 1.346) 18.881 15.307 ( -9.400 12.434 -2.431) 15.776 15.806 ( -3.681 -0.262 -1.430) 3.958 16.082 ( -1.844 3.384 3.137) 4.969 19.436 ( 5.434 0.237 -24.235) 24.838 19.923 ( -4.951 -4.009 22.620) 23.500 ======================= Grid point 49 (38/670) ======================= q-point: (-0.42 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.195 ( 1.431 3.967 -3.639) 5.571 3.147 ( 3.456 -8.780 -1.097) 9.499 5.816 ( -27.361 -13.900 -12.919) 33.298 6.625 ( 13.407 7.949 10.910) 19.025 7.203 ( -4.760 18.728 8.396) 21.068 10.082 ( -4.474 -11.535 0.426) 12.380 13.919 ( 9.259 -15.761 -1.596) 18.349 15.285 ( -7.056 14.140 -4.721) 16.493 15.821 ( 3.474 3.587 0.112) 4.994 16.100 ( -1.309 3.288 4.914) 6.056 19.478 ( 6.391 2.848 -23.973) 24.973 19.886 ( -2.598 -4.544 22.942) 23.532 ======================= Grid point 50 (39/670) ======================= q-point: (-0.37 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( 4.326 5.141 -2.349) 7.118 3.103 ( 2.293 -9.164 -2.823) 9.859 5.144 ( -30.421 -12.877 -12.575) 35.347 6.655 ( -17.330 4.525 3.543) 18.258 7.502 ( 14.926 12.685 15.642) 25.067 9.725 ( -20.534 -15.938 -0.848) 26.007 13.943 ( 10.613 -12.342 -3.364) 16.622 15.322 ( -3.370 14.996 -6.837) 16.822 15.919 ( 2.721 -1.988 5.439) 6.398 16.193 ( 6.690 8.612 2.256) 11.136 19.555 ( 6.753 3.791 -21.909) 23.237 19.890 ( -0.050 -3.686 21.446) 21.760 ======================= Grid point 51 (40/670) ======================= q-point: (-0.32 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.422 ( 6.295 5.267 -1.296) 8.309 3.017 ( -0.266 -10.077 -4.030) 10.856 4.453 ( -31.859 -10.247 -12.063) 35.574 6.278 ( -28.754 0.616 4.268) 29.076 7.948 ( 17.914 8.369 14.618) 24.590 9.083 ( -34.161 -16.301 -2.728) 37.949 14.008 ( 9.956 -8.424 -3.898) 13.612 15.408 ( -1.109 13.249 -8.951) 16.027 15.918 ( 0.262 -3.938 10.288) 11.020 16.499 ( 16.262 9.149 -0.096) 18.659 19.635 ( 5.422 2.347 -15.678) 16.754 19.951 ( 3.287 -1.038 15.595) 15.971 ======================= Grid point 52 (41/670) ======================= q-point: (-0.26 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.581 ( 6.662 4.429 -1.620) 8.162 2.850 ( -5.725 -11.983 -3.288) 13.681 3.792 ( -30.935 -5.744 -11.555) 33.519 5.758 ( -31.472 -2.054 5.023) 31.936 8.198 ( -36.492 -13.761 13.504) 41.273 8.398 ( 8.767 4.780 -5.107) 11.216 14.085 ( 7.933 -4.901 -3.630) 10.006 15.431 ( -5.799 6.374 -7.189) 11.222 15.993 ( 8.200 0.316 9.377) 12.460 16.891 ( 19.580 6.972 -0.512) 20.790 19.686 ( 3.156 0.409 -7.536) 8.181 20.075 ( 6.367 1.364 7.581) 9.994 ======================= Grid point 53 (42/670) ======================= q-point: (-0.21 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.511 ( -14.759 -11.586 -10.363) 21.436 2.742 ( 4.180 1.220 7.840) 8.968 3.225 ( -26.932 -0.916 -11.667) 29.364 5.226 ( -28.473 -2.592 4.755) 28.984 7.256 ( -51.375 -11.902 0.498) 52.738 8.722 ( 15.177 3.954 4.666) 16.363 14.160 ( 6.086 -2.293 -2.849) 7.100 15.308 ( -10.083 1.264 -2.781) 10.536 16.243 ( 15.166 2.902 5.080) 16.256 17.290 ( 20.004 4.594 -0.326) 20.527 19.709 ( 1.420 -0.327 -2.700) 3.068 20.230 ( 7.676 1.864 2.674) 8.339 ======================= Grid point 54 (43/670) ======================= q-point: (-0.16 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.042 ( -23.317 -8.347 -6.052) 25.495 2.719 ( -24.650 -1.766 6.395) 25.528 2.847 ( -0.816 2.306 -9.547) 9.855 4.786 ( -21.453 -1.489 2.979) 21.710 6.255 ( -53.258 -6.859 -0.263) 53.699 9.004 ( 12.976 1.853 2.568) 13.357 14.233 ( 4.987 -0.711 -1.634) 5.296 15.119 ( -11.341 -0.172 -0.672) 11.362 16.567 ( 17.576 2.142 2.263) 17.850 17.659 ( 18.865 2.293 0.047) 19.004 19.713 ( 0.065 -0.333 -0.643) 0.727 20.382 ( 7.507 1.160 0.508) 7.613 ======================= Grid point 55 (44/670) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( -25.494 -0.000 0.000) 25.494 2.231 ( -29.913 -0.000 0.000) 29.913 2.798 ( -8.080 -0.000 0.000) 8.080 4.481 ( -13.995 -0.000 0.000) 13.995 5.339 ( -47.667 -0.000 0.000) 47.667 9.219 ( 10.631 0.000 -0.000) 10.631 14.307 ( 4.335 0.000 -0.000) 4.335 14.924 ( -10.935 -0.000 0.000) 10.935 16.882 ( 16.948 0.000 -0.000) 16.948 17.978 ( 16.865 0.000 -0.000) 16.865 19.701 ( -1.185 -0.000 0.000) 1.185 20.509 ( 6.469 0.000 -0.000) 6.469 ======================= Grid point 60 (45/670) ======================= q-point: ( 0.16 0.16 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( -0.000 20.248 22.327) 30.141 1.833 ( -0.000 27.382 2.262) 27.475 3.039 ( -0.000 15.614 28.593) 32.579 4.372 ( 0.000 11.854 -3.243) 12.290 4.793 ( 0.000 41.327 -10.354) 42.604 9.224 ( 0.000 -6.851 -10.697) 12.703 14.382 ( -0.000 -3.158 4.525) 5.518 14.889 ( -0.000 9.083 6.114) 10.949 17.036 ( 0.000 -14.408 -2.853) 14.687 17.939 ( 0.000 -13.287 -15.741) 20.599 19.592 ( 0.000 -1.630 -5.564) 5.798 20.694 ( -0.000 -4.276 8.907) 9.880 ======================= Grid point 61 (46/670) ======================= q-point: ( 0.21 0.16 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.894 ( 2.935 17.145 18.468) 25.370 2.197 ( 9.723 21.819 1.054) 23.910 3.248 ( 0.635 8.769 29.420) 30.706 4.502 ( 1.159 16.403 -4.900) 17.159 5.345 ( 14.200 48.536 -8.080) 51.212 9.097 ( -3.040 -6.857 -10.311) 12.750 14.363 ( -0.668 -3.138 6.195) 6.977 15.018 ( 2.371 8.812 5.825) 10.826 16.826 ( -6.079 -14.711 -3.745) 16.352 17.740 ( -1.262 -15.552 -13.532) 20.654 19.553 ( 1.084 -4.023 -7.657) 8.717 20.661 ( -2.815 -3.137 9.479) 10.374 ======================= Grid point 62 (47/670) ======================= q-point: ( 0.26 0.16 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.173 ( 7.560 9.519 11.413) 16.674 2.528 ( 7.897 12.862 -0.196) 15.095 3.466 ( 3.197 11.169 32.327) 34.352 4.733 ( 5.820 22.775 -6.033) 24.269 6.131 ( 22.938 47.675 -7.427) 53.425 8.924 ( -5.982 -6.302 -8.504) 12.158 14.331 ( -1.706 -3.961 8.210) 9.274 15.178 ( 4.671 7.858 4.738) 10.297 16.533 ( -9.711 -13.148 -4.619) 16.986 17.500 ( -3.646 -16.961 -10.725) 20.396 19.499 ( 1.868 -6.366 -10.260) 12.218 20.597 ( -5.288 -1.968 10.563) 11.976 ======================= Grid point 63 (48/670) ======================= q-point: ( 0.32 0.16 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.362 ( 6.430 0.062 -2.946) 7.073 2.742 ( 5.874 5.882 8.002) 11.538 3.793 ( 7.406 15.918 31.981) 36.483 5.127 ( 11.924 29.173 -5.345) 31.965 6.972 ( 25.650 39.996 -10.797) 48.726 8.729 ( -7.702 -3.736 -3.761) 9.350 14.271 ( -2.820 -6.228 9.549) 11.744 15.358 ( 6.585 5.972 3.312) 9.487 16.225 ( -11.224 -9.072 -4.290) 15.056 17.214 ( -6.542 -16.939 -8.419) 20.015 19.428 ( 2.524 -8.073 -13.171) 15.653 20.509 ( -7.307 -1.078 12.143) 14.213 ======================= Grid point 64 (49/670) ======================= q-point: ( 0.37 0.16 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.386 ( 2.134 -3.851 -10.584) 11.463 2.901 ( 5.678 -0.627 11.406) 12.757 4.228 ( 12.175 18.415 29.350) 36.726 5.666 ( 15.769 32.754 -3.532) 36.523 7.616 ( 15.087 19.001 -21.201) 32.220 8.652 ( 0.270 8.890 7.490) 11.628 14.165 ( -3.481 -10.162 9.394) 14.270 15.534 ( 7.767 2.781 1.137) 8.328 15.961 ( -11.471 -2.023 -1.699) 11.771 16.894 ( -9.208 -14.985 -6.759) 18.842 19.349 ( 3.314 -8.672 -16.053) 18.544 20.403 ( -8.679 -0.690 13.967) 16.459 ======================= Grid point 65 (50/670) ======================= q-point: ( 0.42 0.16 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.326 ( -0.439 -3.275 -11.326) 11.798 2.989 ( 4.695 -5.809 9.127) 11.794 4.750 ( 16.932 18.440 26.231) 36.260 6.255 ( 14.817 32.471 -1.417) 35.720 7.651 ( -6.994 -2.567 -22.907) 24.089 9.023 ( 17.308 19.982 9.656) 28.144 14.012 ( -2.951 -14.486 7.627) 16.636 15.653 ( 3.982 -1.877 -5.606) 7.128 15.811 ( -7.387 6.487 6.464) 11.766 16.573 ( -10.898 -10.280 -5.440) 15.939 19.277 ( 4.431 -7.896 -18.490) 20.588 20.286 ( -9.226 -0.943 15.743) 18.271 ======================= Grid point 66 (51/670) ======================= q-point: ( 0.47 0.16 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.253 ( -1.410 -0.892 -10.248) 10.383 3.013 ( 4.175 -8.938 6.262) 11.685 5.323 ( 20.383 16.628 22.704) 34.748 6.733 ( 4.719 22.010 0.235) 22.512 7.378 ( -11.150 1.820 -18.345) 21.545 9.528 ( 18.397 10.880 5.993) 22.198 13.839 ( -0.721 -17.134 4.973) 17.856 15.607 ( -5.886 4.753 -4.819) 8.970 15.847 ( 0.845 1.110 5.819) 5.984 16.309 ( -10.014 -2.227 -3.126) 10.724 19.236 ( 5.856 -5.794 -20.131) 21.751 20.168 ( -8.830 -1.767 17.239) 19.449 ======================= Grid point 67 (52/670) ======================= q-point: ( 0.53 0.16 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( -1.063 2.063 -8.658) 8.964 3.003 ( 4.258 -10.652 3.763) 12.073 5.906 ( 21.930 13.822 18.784) 32.013 6.632 ( -18.894 -7.066 -7.735) 21.604 7.413 ( -1.986 26.390 -5.117) 26.954 9.865 ( 13.319 -1.679 3.574) 13.892 13.695 ( 2.901 -17.299 2.181) 17.676 15.549 ( -7.048 8.724 -3.744) 11.824 15.846 ( -1.636 -1.098 1.324) 2.374 16.190 ( -5.167 4.238 1.815) 6.924 19.242 ( 7.274 -2.830 -20.771) 22.189 20.060 ( -7.445 -2.834 18.269) 19.931 ======================= Grid point 68 (53/670) ======================= q-point: (-0.42 0.16 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.209 ( 0.383 4.646 -6.927) 8.350 2.976 ( 4.435 -11.348 1.704) 12.302 6.114 ( -25.401 -10.738 -9.163) 29.060 6.452 ( 20.013 10.820 14.469) 26.962 7.573 ( -9.469 23.944 1.282) 25.780 9.965 ( 4.670 -11.117 1.773) 12.188 13.619 ( 6.916 -15.344 -0.288) 16.833 15.515 ( -6.554 10.808 -4.963) 13.580 15.828 ( -0.309 1.899 0.676) 2.040 16.184 ( -2.551 4.382 4.377) 6.698 19.299 ( 8.217 0.152 -20.299) 21.899 19.975 ( -5.155 -3.636 18.552) 19.595 ======================= Grid point 69 (54/670) ======================= q-point: (-0.37 0.16 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.268 ( 2.457 6.144 -5.272) 8.461 2.941 ( 4.059 -11.269 0.145) 11.979 5.510 ( -29.193 -10.068 -8.341) 31.987 6.843 ( 6.820 7.929 7.931) 13.126 7.604 ( -7.906 16.152 6.945) 19.278 9.815 ( -7.576 -14.698 0.371) 16.540 13.629 ( 10.390 -11.923 -1.946) 15.934 15.513 ( -4.875 12.307 -6.546) 14.768 15.872 ( 2.448 0.261 3.230) 4.061 16.218 ( 0.352 5.335 3.657) 6.478 19.395 ( 8.314 2.145 -18.418) 20.321 19.931 ( -2.204 -3.621 17.481) 17.988 ======================= Grid point 70 (55/670) ======================= q-point: (-0.32 0.16 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.377 ( 4.485 6.324 -3.956) 8.704 2.888 ( 2.419 -10.666 -0.694) 10.959 4.875 ( -31.251 -7.982 -7.223) 33.054 6.777 ( -22.268 5.196 2.979) 23.059 7.795 ( 11.866 8.515 9.945) 17.669 9.419 ( -22.000 -13.501 -0.698) 25.821 13.720 ( 12.232 -8.047 -2.514) 14.856 15.548 ( -2.927 12.399 -8.174) 15.136 15.897 ( 0.652 -4.235 7.754) 8.859 16.361 ( 8.806 6.799 0.884) 11.160 19.503 ( 7.330 2.388 -14.333) 16.275 19.940 ( 1.142 -2.413 13.994) 14.247 ======================= Grid point 71 (56/670) ======================= q-point: (-0.26 0.16 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.514 ( 5.708 5.550 -3.707) 8.782 2.798 ( -1.281 -9.773 0.011) 9.856 4.248 ( -31.525 -4.880 -5.876) 32.437 6.325 ( -32.686 1.512 2.572) 32.822 8.147 ( 16.828 4.344 8.126) 19.186 8.802 ( -35.415 -9.759 -1.990) 36.789 13.858 ( 11.580 -4.561 -2.191) 12.637 15.574 ( -4.754 8.428 -7.683) 12.356 15.904 ( 3.680 -3.364 8.566) 9.912 16.640 ( 15.900 5.057 -0.282) 16.687 19.596 ( 5.357 1.199 -8.083) 9.771 20.009 ( 4.463 -0.537 8.036) 9.208 ======================= Grid point 72 (57/670) ======================= q-point: (-0.21 0.16 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.603 ( -5.457 0.114 -9.263) 10.751 2.685 ( 3.075 -3.721 7.241) 8.703 3.673 ( -29.536 -1.628 -3.942) 29.842 5.760 ( -33.474 -0.310 1.874) 33.528 8.014 ( -45.925 -5.799 1.144) 46.304 8.490 ( 16.562 2.365 1.687) 16.815 14.002 ( 9.183 -1.806 -1.299) 9.449 15.484 ( -9.195 2.088 -2.525) 9.761 16.042 ( 11.280 0.322 3.407) 11.787 16.983 ( 19.273 2.460 -0.295) 19.432 19.660 ( 3.251 0.174 -2.678) 4.216 20.124 ( 6.787 0.428 2.689) 7.313 ======================= Grid point 73 (58/670) ======================= q-point: (-0.16 0.16 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.354 ( -17.742 -0.000 0.000) 17.742 2.783 ( 5.195 0.000 -0.000) 5.195 3.178 ( -26.856 -0.000 0.000) 26.856 5.218 ( -28.950 -0.000 0.000) 28.950 7.136 ( -52.241 -0.000 0.000) 52.241 8.776 ( 15.021 0.000 -0.000) 15.021 14.127 ( 6.689 0.000 -0.000) 6.689 15.312 ( -11.022 -0.000 0.000) 11.022 16.289 ( 15.939 0.000 -0.000) 15.939 17.335 ( 19.967 0.000 -0.000) 19.967 19.697 ( 1.519 0.000 -0.000) 1.519 20.257 ( 7.688 0.000 -0.000) 7.688 ======================= Grid point 80 (59/670) ======================= q-point: ( 0.21 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( -0.000 12.317 10.894) 16.443 2.337 ( -0.000 21.173 3.223) 21.417 3.417 ( -0.000 8.607 31.058) 32.229 4.651 ( 0.000 18.954 -4.292) 19.434 5.711 ( 0.000 53.636 -7.967) 54.225 9.028 ( 0.000 -6.080 -9.313) 11.122 14.364 ( -0.000 -2.109 6.932) 7.246 15.094 ( -0.000 6.834 5.935) 9.052 16.721 ( 0.000 -14.639 -3.100) 14.964 17.542 ( 0.000 -17.316 -13.944) 22.232 19.465 ( 0.000 -6.615 -9.265) 11.384 20.691 ( -0.000 -1.900 10.295) 10.469 ======================= Grid point 81 (60/670) ======================= q-point: ( 0.26 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( 1.887 4.651 4.522) 6.756 2.572 ( 3.665 15.240 2.775) 15.918 3.639 ( 2.039 13.270 33.281) 35.887 4.871 ( 3.267 23.769 -4.702) 24.449 6.314 ( 10.735 51.902 -8.099) 53.615 8.923 ( -3.021 -4.490 -6.930) 8.793 14.356 ( -1.592 -2.094 8.428) 8.829 15.188 ( 2.798 3.854 4.582) 6.609 16.528 ( -5.465 -11.981 -2.981) 13.502 17.318 ( -0.468 -18.797 -12.351) 22.496 19.365 ( 1.032 -8.948 -11.094) 14.290 20.688 ( -2.794 -0.690 10.986) 11.357 ======================= Grid point 82 (61/670) ======================= q-point: ( 0.32 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.257 ( 3.452 -2.911 -2.604) 5.213 2.761 ( 3.009 8.856 5.213) 10.707 3.954 ( 4.575 17.653 32.288) 37.082 5.223 ( 9.025 29.100 -4.065) 30.737 6.999 ( 15.533 43.309 -11.179) 47.349 8.807 ( -5.048 -0.498 -2.068) 5.478 14.308 ( -4.029 -4.251 9.773) 11.394 15.292 ( 5.722 0.345 2.044) 6.085 16.304 ( -8.224 -6.578 -2.041) 10.727 17.077 ( -1.785 -18.857 -10.023) 21.430 19.256 ( 1.986 -10.506 -13.036) 16.860 20.650 ( -5.315 0.131 11.713) 12.863 ======================= Grid point 83 (62/670) ======================= q-point: ( 0.37 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.251 ( 3.645 -6.638 -8.154) 11.128 2.882 ( 1.849 2.889 7.675) 8.407 4.338 ( 7.478 19.629 29.049) 35.848 5.724 ( 14.324 32.529 -2.658) 35.642 7.541 ( 10.756 23.693 -18.361) 31.847 8.786 ( -1.655 10.998 6.483) 12.873 14.185 ( -6.338 -8.818 9.555) 14.465 15.402 ( 7.880 -2.207 -0.564) 8.203 16.121 ( -8.545 -0.265 0.371) 8.557 16.826 ( -3.662 -16.352 -7.754) 18.464 19.148 ( 3.024 -10.918 -14.890) 18.710 20.581 ( -7.392 0.384 12.462) 14.495 ======================= Grid point 84 (63/670) ======================= q-point: ( 0.42 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.213 ( 3.451 -6.541 -11.006) 13.259 2.930 ( 0.672 -2.285 8.109) 8.452 4.778 ( 11.148 19.534 25.601) 34.078 6.314 ( 16.167 33.127 -1.129) 36.879 7.660 ( -2.929 2.381 -21.048) 21.383 9.046 ( 7.838 21.260 10.065) 24.794 13.982 ( -7.020 -13.567 7.565) 17.046 15.513 ( 7.908 -2.264 -2.000) 8.466 16.005 ( -7.312 2.694 2.619) 8.221 16.592 ( -5.340 -10.310 -5.344) 12.782 19.057 ( 4.380 -10.045 -16.383) 19.710 20.483 ( -8.857 0.051 13.150) 15.854 ======================= Grid point 85 (64/670) ======================= q-point: ( 0.47 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.181 ( 3.204 -3.944 -11.963) 12.998 2.917 ( 0.190 -6.296 7.501) 9.794 5.261 ( 14.782 17.648 22.010) 31.850 6.863 ( 8.971 26.268 1.160) 27.782 7.488 ( -6.690 1.834 -18.986) 20.214 9.422 ( 10.105 13.826 7.898) 18.859 13.742 ( -5.438 -16.088 4.974) 17.696 15.609 ( 5.051 0.121 -2.418) 5.601 15.927 ( -4.992 0.898 2.616) 5.707 16.420 ( -6.126 -1.699 -2.056) 6.681 19.005 ( 6.178 -8.011 -17.200) 19.954 20.363 ( -9.525 -0.728 13.661) 16.670 ======================= Grid point 86 (65/670) ======================= q-point: ( 0.53 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( 2.884 0.023 -11.669) 12.020 2.867 ( 0.776 -9.353 6.545) 11.442 5.763 ( 17.607 14.533 18.033) 29.093 6.870 ( -16.908 -3.170 -5.034) 17.924 7.633 ( 6.626 28.513 -8.425) 30.461 9.673 ( 8.331 -0.057 5.832) 10.169 13.527 ( -1.927 -15.985 2.591) 16.307 15.665 ( 0.191 3.646 -3.248) 4.887 15.871 ( -2.254 -0.480 1.618) 2.815 16.333 ( -5.557 4.055 1.394) 7.019 19.009 ( 8.198 -5.195 -17.057) 19.625 20.232 ( -9.203 -1.662 13.844) 16.707 ======================= Grid point 87 (66/670) ======================= q-point: ( 0.58 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.209 ( 2.508 4.167 -10.457) 11.533 2.807 ( 2.241 -11.496 5.422) 12.906 6.243 ( 15.653 8.493 11.205) 21.040 6.447 ( -20.406 -4.607 -3.425) 21.198 7.956 ( -3.280 29.143 -3.057) 29.486 9.751 ( 6.462 -11.881 3.837) 14.058 13.389 ( 2.730 -13.833 0.638) 14.114 15.674 ( -3.111 6.694 -4.928) 8.876 15.854 ( -0.640 0.613 1.995) 2.182 16.303 ( -4.340 4.856 3.205) 7.258 19.076 ( 9.808 -2.235 -15.816) 18.744 20.107 ( -7.745 -2.385 13.462) 15.713 ======================= Grid point 88 (67/670) ======================= q-point: (-0.37 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( 2.273 7.156 -8.549) 11.378 2.755 ( 3.874 -12.342 4.160) 13.588 5.890 ( -27.157 -7.128 -5.458) 28.602 6.719 ( 17.000 8.081 9.888) 21.262 8.036 ( -15.989 21.482 0.345) 26.782 9.704 ( 2.993 -15.363 1.749) 15.749 13.357 ( 7.533 -10.329 -0.714) 12.804 15.674 ( -3.622 8.723 -6.154) 11.273 15.864 ( 0.174 0.126 3.231) 3.238 16.296 ( -2.604 4.121 3.165) 5.812 19.195 ( 10.335 0.088 -13.465) 16.974 20.009 ( -5.184 -2.558 12.138) 13.444 ======================= Grid point 89 (68/670) ======================= q-point: (-0.32 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.371 ( 2.554 7.817 -6.183) 10.289 2.722 ( 4.503 -11.213 2.864) 12.418 5.319 ( -30.056 -5.272 -4.024) 30.779 7.020 ( 3.986 5.292 4.783) 8.172 7.906 ( -13.675 10.504 3.196) 17.538 9.547 ( -7.013 -11.333 0.308) 13.331 13.435 ( 11.385 -6.345 -1.241) 13.092 15.687 ( -2.982 9.479 -7.141) 12.237 15.870 ( 0.295 -3.141 5.651) 6.472 16.331 ( 1.803 3.792 1.640) 4.508 19.338 ( 9.534 1.135 -9.866) 13.766 19.959 ( -1.827 -1.985 9.338) 9.719 ======================= Grid point 90 (69/670) ======================= q-point: (-0.26 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.477 ( 3.660 5.589 -3.625) 7.601 2.701 ( 2.837 -7.483 1.766) 8.195 4.739 ( -31.438 -2.684 -2.345) 31.639 6.872 ( -25.148 2.371 1.230) 25.289 7.953 ( 9.701 3.095 3.305) 10.706 9.219 ( -21.688 -5.487 -0.249) 22.373 13.601 ( 13.075 -2.770 -0.923) 13.397 15.704 ( -3.431 7.579 -6.879) 10.795 15.850 ( 0.765 -4.776 6.792) 8.338 16.459 ( 9.262 2.497 0.216) 9.595 19.475 ( 7.658 0.813 -4.935) 9.147 19.967 ( 1.775 -0.833 4.821) 5.205 ======================= Grid point 91 (70/670) ======================= q-point: (-0.21 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.580 ( 5.412 0.000 -0.000) 5.412 2.675 ( -1.905 -0.000 0.000) 1.905 4.182 ( -31.239 -0.000 0.000) 31.239 6.351 ( -34.148 -0.000 0.000) 34.148 8.216 ( 16.518 0.000 -0.000) 16.518 8.695 ( -35.710 -0.000 0.000) 35.710 13.806 ( 12.066 0.000 -0.000) 12.066 15.636 ( -7.225 -0.000 0.000) 7.225 15.896 ( 6.136 0.000 -0.000) 6.136 16.690 ( 15.735 0.000 -0.000) 15.735 19.583 ( 5.360 0.000 -0.000) 5.360 20.029 ( 4.843 0.000 -0.000) 4.843 ======================= Grid point 100 (71/670) ======================= q-point: ( 0.26 0.26 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( 0.000 -1.961 -1.196) 2.297 2.701 ( -0.000 13.435 3.511) 13.886 3.879 ( -0.000 17.495 34.428) 38.618 5.069 ( 0.000 25.703 -4.703) 26.130 6.714 ( 0.000 50.674 -9.118) 51.487 8.900 ( 0.000 -1.394 -4.033) 4.267 14.387 ( -0.000 -0.531 9.085) 9.100 15.185 ( -0.000 -1.913 3.268) 3.787 16.466 ( 0.000 -8.229 -1.389) 8.345 17.085 ( 0.000 -20.374 -12.471) 23.887 19.220 ( 0.000 -11.064 -11.914) 16.258 20.745 ( -0.000 0.380 11.081) 11.088 ======================= Grid point 101 (72/670) ======================= q-point: ( 0.32 0.26 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.158 ( 1.304 -6.789 -4.738) 8.381 2.835 ( 0.857 9.115 3.814) 9.918 4.190 ( 1.804 20.285 32.894) 38.688 5.369 ( 5.537 28.523 -4.220) 29.360 7.208 ( 6.020 41.817 -12.193) 43.972 8.887 ( -2.200 4.852 0.865) 5.397 14.381 ( -3.889 -1.420 9.974) 10.799 15.179 ( 4.154 -6.841 0.787) 8.042 16.365 ( -4.805 -2.918 -0.110) 5.623 16.852 ( 1.040 -20.542 -10.862) 23.261 19.075 ( 1.145 -12.337 -12.801) 17.815 20.763 ( -2.823 1.055 11.063) 11.467 ======================= Grid point 102 (73/670) ======================= q-point: ( 0.37 0.26 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.092 ( 2.691 -9.190 -7.439) 12.126 2.925 ( 0.063 4.596 4.684) 6.563 4.537 ( 3.536 20.966 29.087) 36.029 5.801 ( 11.841 30.476 -2.999) 32.833 7.595 ( 4.442 23.397 -16.761) 29.122 8.967 ( -1.124 16.649 7.017) 18.102 14.266 ( -8.536 -6.532 9.388) 14.271 15.216 ( 8.396 -6.771 -0.738) 10.812 16.247 ( -6.638 -1.111 0.054) 6.730 16.658 ( 1.182 -15.952 -7.480) 17.659 18.940 ( 2.417 -12.468 -13.655) 18.648 20.737 ( -5.453 1.213 11.000) 12.337 ======================= Grid point 103 (74/670) ======================= q-point: ( 0.42 0.26 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( 4.263 -9.227 -9.354) 13.813 2.955 ( -1.485 0.643 5.308) 5.549 4.907 ( 6.101 20.089 24.916) 32.582 6.345 ( 16.440 30.644 -1.821) 34.823 7.690 ( -3.087 5.643 -17.617) 18.755 9.218 ( 2.252 24.070 9.132) 25.842 14.030 ( -10.580 -11.937 7.046) 17.438 15.326 ( 10.119 -3.634 -0.226) 10.754 16.114 ( -5.319 -4.391 -1.363) 7.031 16.537 ( -0.544 -6.414 -3.049) 7.123 18.831 ( 3.906 -11.363 -14.263) 18.650 20.668 ( -7.677 0.856 10.873) 13.337 ======================= Grid point 104 (75/670) ======================= q-point: ( 0.47 0.26 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.005 ( 5.901 -7.290 -10.426) 14.025 2.923 ( -2.960 -2.497 5.592) 6.802 5.299 ( 9.260 17.745 20.814) 28.877 6.927 ( 15.653 27.777 0.475) 31.888 7.553 ( -7.120 0.225 -16.770) 18.220 9.504 ( 1.976 17.780 7.986) 19.591 13.737 ( -9.749 -14.216 4.580) 17.836 15.474 ( 9.316 -1.055 0.726) 9.403 15.983 ( -3.148 -5.251 -2.540) 6.628 16.483 ( -2.466 0.830 0.194) 2.609 18.766 ( 5.747 -9.210 -14.327) 17.975 20.560 ( -9.266 0.134 10.602) 14.081 ======================= Grid point 105 (76/670) ======================= q-point: ( 0.53 0.26 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( 7.260 -3.906 -10.684) 13.495 2.845 ( -3.708 -4.967 5.747) 8.453 5.702 ( 12.429 14.178 16.452) 25.023 7.111 ( -14.053 0.068 -2.383) 14.254 7.676 ( 15.784 24.974 -10.743) 31.437 9.649 ( -1.028 4.390 6.828) 8.182 13.463 ( -6.844 -13.674 2.586) 15.508 15.614 ( 6.653 0.504 0.563) 6.696 15.898 ( -1.423 -2.161 -2.280) 3.449 16.458 ( -3.696 3.761 1.782) 5.566 18.762 ( 7.975 -6.422 -13.510) 16.952 20.423 ( -9.974 -0.684 10.047) 14.174 ======================= Grid point 106 (77/670) ======================= q-point: ( 0.58 0.26 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.110 ( 7.894 0.260 -10.264) 12.951 2.741 ( -3.354 -7.010 5.920) 9.770 6.101 ( 14.690 9.607 11.414) 20.937 6.757 ( -20.853 -3.670 -3.379) 21.442 8.181 ( 11.054 29.152 -6.318) 31.811 9.602 ( -2.485 -10.313 5.926) 12.151 13.263 ( -2.398 -11.237 1.073) 11.540 15.708 ( 2.966 2.183 -1.708) 4.060 15.875 ( -0.352 0.569 -0.053) 0.671 16.435 ( -4.394 4.082 2.296) 6.422 18.830 ( 10.205 -3.546 -11.587) 15.842 20.273 ( -9.570 -1.280 8.994) 13.196 ======================= Grid point 107 (78/670) ======================= q-point: (-0.37 0.26 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.236 ( 7.391 4.596 -9.425) 12.829 2.635 ( -1.708 -8.866 6.218) 10.963 6.243 ( -19.234 -3.631 -2.649) 19.752 6.550 ( 10.947 6.022 7.343) 14.492 8.500 ( -7.834 27.442 -3.798) 28.790 9.460 ( 4.103 -19.371 4.153) 20.231 13.174 ( 2.909 -7.637 0.061) 8.173 15.755 ( 0.163 4.220 -4.017) 5.829 15.879 ( -0.503 0.286 2.344) 2.414 16.402 ( -4.252 3.075 2.021) 5.624 18.965 ( 11.595 -1.211 -8.597) 14.485 20.133 ( -7.926 -1.393 7.160) 10.772 ======================= Grid point 108 (79/670) ======================= q-point: (-0.32 0.26 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.386 ( 4.907 8.960 -8.519) 13.302 2.554 ( 1.776 -10.934 6.803) 13.000 5.771 ( -27.838 -2.494 -1.792) 28.007 6.876 ( 15.586 3.055 3.642) 16.295 8.383 ( -24.931 11.363 -0.425) 27.401 9.439 ( 7.342 -9.702 1.023) 12.209 13.213 ( 8.043 -3.626 -0.327) 8.829 15.779 ( -1.022 4.831 -4.570) 6.728 15.868 ( -1.207 -1.714 3.587) 4.154 16.370 ( -2.377 1.680 1.082) 3.106 19.139 ( 11.489 0.032 -4.711) 12.417 20.025 ( -5.153 -0.925 4.221) 6.725 ======================= Grid point 109 (80/670) ======================= q-point: (-0.26 0.26 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.472 ( 0.347 0.000 -0.000) 0.347 2.575 ( 6.777 0.000 -0.000) 6.777 5.254 ( -30.289 -0.000 0.000) 30.289 7.091 ( 3.329 0.000 -0.000) 3.329 8.027 ( -17.220 -0.000 0.000) 17.220 9.425 ( -5.540 -0.000 0.000) 5.540 13.368 ( 11.777 0.000 -0.000) 11.777 15.782 ( -1.603 -0.000 0.000) 1.603 15.834 ( -1.217 -0.000 0.000) 1.217 16.375 ( 2.227 0.000 -0.000) 2.227 19.319 ( 9.956 0.000 -0.000) 9.956 19.968 ( -1.676 -0.000 0.000) 1.676 ======================= Grid point 120 (81/670) ======================= q-point: ( 0.32 0.32 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( 0.000 -9.668 -6.505) 11.653 2.922 ( -0.000 7.254 3.076) 7.880 4.486 ( -0.000 21.499 31.672) 38.279 5.587 ( 0.000 28.499 -4.329) 28.826 7.499 ( 0.000 32.906 -14.252) 35.860 9.001 ( -0.000 13.644 4.800) 14.464 14.455 ( -0.000 1.086 10.558) 10.614 15.034 ( 0.000 -13.277 -0.936) 13.310 16.408 ( -0.000 1.618 1.735) 2.372 16.587 ( 0.000 -22.217 -11.096) 24.834 18.897 ( 0.000 -13.317 -12.605) 18.337 20.834 ( -0.000 1.611 10.347) 10.471 ======================= Grid point 121 (82/670) ======================= q-point: ( 0.37 0.32 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( 1.397 -10.921 -7.662) 13.413 2.989 ( -0.443 4.584 3.026) 5.510 4.799 ( 0.987 20.971 28.076) 35.057 5.916 ( 7.041 28.243 -3.556) 29.324 7.718 ( 0.316 18.184 -15.559) 23.934 9.203 ( -0.372 23.984 7.763) 25.212 14.403 ( -9.575 -3.284 9.280) 13.733 14.975 ( 8.997 -11.164 -0.766) 14.359 16.285 ( -4.321 -14.643 -6.655) 16.654 16.481 ( 2.987 -2.723 -0.821) 4.124 18.738 ( 1.446 -13.167 -12.424) 18.161 20.857 ( -2.935 1.720 9.614) 10.198 ======================= Grid point 122 (83/670) ======================= q-point: ( 0.42 0.32 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( 3.280 -10.534 -8.306) 13.810 3.012 ( -1.823 1.936 3.223) 4.178 5.108 ( 2.460 19.253 23.450) 30.441 6.360 ( 13.648 26.847 -2.577) 30.227 7.762 ( -3.720 6.254 -14.192) 15.949 9.487 ( -0.375 27.335 7.854) 28.444 14.149 ( -13.465 -10.049 5.931) 17.817 15.093 ( 12.288 -4.634 1.644) 13.235 16.059 ( -1.247 -15.525 -7.096) 17.115 16.511 ( 0.249 2.126 1.385) 2.549 18.614 ( 3.123 -11.769 -12.097) 17.164 20.826 ( -5.725 1.388 8.848) 10.630 ======================= Grid point 123 (84/670) ======================= q-point: ( 0.47 0.32 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( 5.636 -8.685 -8.390) 13.327 2.984 ( -3.602 -0.244 3.373) 4.941 5.412 ( 4.770 16.396 18.755) 25.364 6.886 ( 18.227 24.219 -1.345) 30.341 7.646 ( -8.197 0.645 -12.242) 14.747 9.733 ( -2.780 21.038 6.645) 22.237 13.820 ( -13.201 -11.768 3.740) 18.076 15.282 ( 11.894 -1.725 2.893) 12.361 15.904 ( 1.200 -11.146 -6.127) 12.776 16.535 ( -1.130 3.229 1.880) 3.904 18.541 ( 4.957 -9.343 -11.368) 15.527 20.744 ( -8.084 0.745 7.976) 11.381 ======================= Grid point 124 (85/670) ======================= q-point: ( 0.53 0.32 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( 8.118 -5.783 -7.796) 12.654 2.907 ( -5.198 -1.792 3.391) 6.459 5.712 ( 7.562 12.448 13.902) 20.135 7.319 ( -4.929 5.799 2.675) 8.067 7.557 ( 13.523 14.059 -13.293) 23.606 9.820 ( -7.449 9.636 5.554) 13.386 13.506 ( -11.115 -10.542 2.205) 15.477 15.470 ( 10.158 -0.826 2.760) 10.558 15.843 ( 2.707 -4.952 -4.543) 7.245 16.546 ( -2.048 3.245 1.883) 4.274 18.532 ( 7.007 -6.408 -9.928) 13.738 20.617 ( -9.718 0.035 6.867) 11.899 ======================= Grid point 125 (86/670) ======================= q-point: ( 0.58 0.32 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.908 ( 10.162 -2.536 -6.442) 12.296 2.796 ( -6.153 -2.642 3.192) 7.418 6.003 ( 10.463 7.812 8.791) 15.741 7.059 ( -18.326 -1.832 -2.054) 18.532 8.091 ( 23.630 18.874 -5.722) 30.779 9.699 ( -12.733 -2.045 4.778) 13.753 13.257 ( -7.487 -7.736 1.049) 10.817 15.624 ( 7.476 -0.117 1.038) 7.549 15.856 ( 2.579 -0.520 -2.080) 3.354 16.539 ( -3.011 2.683 1.570) 4.328 18.595 ( 9.306 -3.539 -7.520) 12.477 20.460 ( -10.351 -0.453 5.329) 11.651 ======================= Grid point 126 (87/670) ======================= q-point: ( 0.63 0.32 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( 11.271 0.078 -4.202) 12.029 2.671 ( -6.197 -2.553 2.491) 7.150 6.269 ( 10.699 2.851 3.376) 11.576 6.705 ( -19.329 -0.726 -0.409) 19.347 8.644 ( 20.485 18.132 -4.430) 27.714 9.386 ( -16.708 -11.917 4.266) 20.961 13.113 ( -2.537 -4.020 0.278) 4.762 15.730 ( 4.447 0.756 -0.633) 4.555 15.887 ( 0.979 0.455 0.002) 1.080 16.503 ( -4.044 1.558 0.938) 4.434 18.732 ( 11.362 -1.250 -4.128) 12.153 20.293 ( -9.786 -0.490 3.123) 10.284 ======================= Grid point 127 (88/670) ======================= q-point: (-0.32 0.32 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( 11.112 0.000 -0.000) 11.112 2.560 ( -5.126 -0.000 0.000) 5.126 6.196 ( -21.823 -0.000 0.000) 21.823 6.638 ( 12.415 0.000 -0.000) 12.415 8.906 ( -26.058 -0.000 0.000) 26.058 9.134 ( 19.842 0.000 -0.000) 19.842 13.097 ( 3.021 0.000 -0.000) 3.021 15.786 ( 1.692 0.000 -0.000) 1.692 15.890 ( -0.952 -0.000 0.000) 0.952 16.440 ( -4.197 -0.000 0.000) 4.197 18.925 ( 12.240 0.000 -0.000) 12.240 20.141 ( -7.983 -0.000 0.000) 7.983 ======================= Grid point 140 (89/670) ======================= q-point: ( 0.37 0.37 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( 0.000 -11.412 -7.776) 13.810 3.042 ( -0.000 3.523 2.285) 4.199 5.077 ( -0.000 19.385 25.101) 31.715 6.111 ( 0.000 25.937 -3.417) 26.161 7.819 ( 0.000 10.825 -13.741) 17.492 9.498 ( -0.000 29.245 7.581) 30.212 14.559 ( -0.000 2.556 11.271) 11.557 14.709 ( 0.000 -16.699 -2.860) 16.942 16.077 ( 0.000 -22.212 -10.135) 24.415 16.502 ( -0.000 5.220 2.841) 5.943 18.558 ( 0.000 -12.781 -11.219) 17.006 20.928 ( -0.000 1.837 8.302) 8.503 ======================= Grid point 141 (90/670) ======================= q-point: ( 0.42 0.37 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( 1.799 -10.531 -7.457) 13.029 3.067 ( -1.207 2.055 2.021) 3.125 5.333 ( 0.619 16.802 20.541) 26.545 6.410 ( 7.730 22.823 -2.694) 24.247 7.836 ( -2.687 4.876 -11.121) 12.437 9.805 ( -1.165 28.576 6.403) 29.308 14.318 ( -15.035 -9.414 3.355) 18.053 14.834 ( 13.902 -3.059 4.863) 15.043 15.844 ( 1.491 -19.828 -9.373) 21.982 16.559 ( -0.363 4.759 2.548) 5.410 18.421 ( 1.881 -11.141 -9.949) 15.055 20.942 ( -3.096 1.562 7.026) 7.835 ======================= Grid point 142 (91/670) ======================= q-point: ( 0.47 0.37 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( 4.146 -8.371 -6.594) 11.434 3.052 ( -2.918 0.667 1.890) 3.540 5.560 ( 1.927 13.435 15.461) 20.573 6.804 ( 14.700 18.686 -1.946) 23.855 7.755 ( -6.674 1.355 -8.415) 10.826 10.031 ( -4.406 21.596 4.906) 22.581 13.972 ( -15.083 -9.285 2.297) 17.860 15.063 ( 12.885 -0.992 5.218) 13.937 15.699 ( 4.825 -14.175 -7.947) 16.951 16.596 ( -1.060 3.672 2.055) 4.339 18.345 ( 3.910 -8.427 -8.410) 12.531 20.896 ( -6.026 1.010 5.704) 8.358 ======================= Grid point 143 (92/670) ======================= q-point: ( 0.53 0.37 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( 6.859 -5.342 -5.103) 10.080 2.993 ( -4.741 -0.310 1.667) 5.035 5.762 ( 3.924 9.209 10.212) 14.300 7.262 ( 19.742 13.567 0.169) 23.955 7.589 ( -10.103 -0.036 -7.302) 12.466 10.091 ( -9.321 11.368 3.505) 15.113 13.643 ( -14.096 -7.008 1.483) 15.812 15.279 ( 11.687 -1.050 3.932) 12.375 15.682 ( 7.249 -6.552 -5.376) 11.153 16.609 ( -1.491 2.445 1.464) 3.216 18.338 ( 5.829 -5.246 -6.357) 10.095 20.794 ( -8.438 0.399 4.211) 9.439 ======================= Grid point 144 (93/670) ======================= q-point: ( 0.58 0.37 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( 9.425 -2.222 -2.938) 10.120 2.897 ( -6.232 -0.641 1.150) 6.369 5.942 ( 6.525 4.466 4.901) 9.303 7.332 ( -15.162 -0.563 -0.514) 15.181 7.777 ( 25.209 8.074 -3.294) 26.674 9.961 ( -14.502 2.616 2.091) 14.884 13.369 ( -11.665 -3.808 0.647) 12.288 15.468 ( 10.298 -0.684 1.526) 10.433 15.759 ( 6.701 -1.323 -2.082) 7.141 16.603 ( -1.882 1.279 0.793) 2.410 18.402 ( 7.755 -2.282 -3.572) 8.838 20.646 ( -10.009 -0.007 2.377) 10.288 ======================= Grid point 145 (94/670) ======================= q-point: (-0.37 -0.63 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( 11.181 0.000 -0.000) 11.181 2.780 ( -6.946 -0.000 0.000) 6.946 6.109 ( 9.564 0.000 -0.000) 9.564 7.034 ( -18.691 -0.000 0.000) 18.691 8.273 ( 27.457 0.000 -0.000) 27.457 9.681 ( -18.961 -0.000 0.000) 18.961 13.183 ( -7.689 -0.000 0.000) 7.689 15.625 ( 7.877 0.000 -0.000) 7.877 15.846 ( 4.004 0.000 -0.000) 4.004 16.571 ( -2.799 -0.000 0.000) 2.799 18.536 ( 9.794 0.000 -0.000) 9.794 20.472 ( -10.497 -0.000 0.000) 10.497 ======================= Grid point 161 (95/670) ======================= q-point: ( 0.42 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( 0.000 -9.189 -6.325) 11.156 3.102 ( -0.000 1.512 1.388) 2.053 5.535 ( -0.000 13.305 16.135) 20.913 6.539 ( 0.000 18.303 -2.175) 18.432 7.870 ( 0.000 2.891 -8.209) 8.703 10.108 ( -0.000 25.622 4.824) 26.073 14.388 ( 0.000 -13.022 -2.539) 13.267 14.696 ( -0.000 4.275 11.333) 12.113 15.598 ( 0.000 -19.384 -9.878) 21.756 16.617 ( -0.000 4.277 2.199) 4.809 18.274 ( 0.000 -9.328 -7.818) 12.171 21.003 ( -0.000 1.366 5.341) 5.513 ======================= Grid point 162 (96/670) ======================= q-point: ( 0.47 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( 2.217 -6.601 -4.701) 8.402 3.103 ( -1.614 0.752 1.010) 2.047 5.695 ( 0.613 9.307 10.909) 14.352 6.758 ( 7.938 12.891 -1.490) 15.212 7.838 ( -3.690 1.214 -5.400) 6.652 10.314 ( -3.386 18.005 3.214) 18.601 14.141 ( -12.578 -7.612 0.010) 14.702 14.884 ( 10.057 2.740 8.450) 13.418 15.435 ( 5.202 -14.845 -9.048) 18.146 16.652 ( -0.819 2.932 1.537) 3.410 18.194 ( 2.310 -6.431 -5.572) 8.817 21.001 ( -3.236 0.899 3.696) 4.994 ======================= Grid point 163 (97/670) ======================= q-point: ( 0.53 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( 4.785 -3.246 -2.561) 6.324 3.067 ( -3.418 0.145 0.626) 3.477 5.810 ( 1.771 4.817 5.434) 7.474 7.052 ( 15.263 6.765 -0.722) 16.711 7.734 ( -7.742 0.210 -2.791) 8.233 10.353 ( -8.073 8.031 1.643) 11.506 13.847 ( -14.831 -3.575 0.524) 15.264 15.096 ( 10.107 0.477 4.281) 10.986 15.446 ( 10.461 -6.102 -4.939) 13.079 16.657 ( -1.407 1.383 0.779) 2.121 18.192 ( 4.457 -3.060 -3.023) 6.194 20.934 ( -6.221 0.362 1.967) 6.535 ======================= Grid point 164 (98/670) ======================= q-point: (-0.42 -0.58 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( 7.363 0.000 -0.000) 7.363 2.995 ( -5.097 -0.000 0.000) 5.097 5.887 ( 3.633 0.000 -0.000) 3.633 7.403 ( 21.493 0.000 -0.000) 21.493 7.562 ( -11.729 -0.000 0.000) 11.729 10.216 ( -12.228 -0.000 0.000) 12.228 13.577 ( -14.282 -0.000 0.000) 14.282 15.281 ( 10.909 0.000 -0.000) 10.909 15.599 ( 10.219 0.000 -0.000) 10.219 16.639 ( -1.564 -0.000 0.000) 1.564 18.265 ( 6.171 0.000 -0.000) 6.171 20.811 ( -8.578 -0.000 0.000) 8.578 ======================= Grid point 182 (99/670) ======================= q-point: ( 0.47 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( 0.000 -3.603 -2.488) 4.379 3.125 ( -0.000 0.411 0.465) 0.620 5.785 ( -0.000 4.731 5.571) 7.309 6.783 ( 0.000 6.647 -0.745) 6.688 7.867 ( 0.000 0.603 -2.663) 2.731 10.495 ( -0.000 10.043 1.596) 10.169 14.193 ( 0.000 -4.903 -0.983) 5.001 14.872 ( -0.000 6.390 9.607) 11.538 15.213 ( 0.000 -12.336 -8.969) 15.252 16.686 ( -0.000 1.579 0.803) 1.772 18.111 ( 0.000 -3.440 -2.816) 4.446 21.045 ( -0.000 0.498 1.840) 1.906 ======================= Grid point 183 (100/670) ======================= q-point: (-0.47 -0.53 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( 2.406 0.000 -0.000) 2.406 3.113 ( -1.741 -0.000 0.000) 1.741 5.823 ( 0.660 0.000 -0.000) 0.660 6.884 ( 7.972 0.000 -0.000) 7.972 7.832 ( -3.946 -0.000 0.000) 3.946 10.509 ( -4.513 -0.000 0.000) 4.513 14.061 ( -11.157 -0.000 0.000) 11.157 14.981 ( 5.165 0.000 -0.000) 5.165 15.214 ( 9.672 0.000 -0.000) 9.672 16.686 ( -0.953 -0.000 0.000) 0.953 18.111 ( 2.500 0.000 -0.000) 2.500 21.022 ( -3.291 -0.000 0.000) 3.291 ======================= Grid point 387 (101/670) ======================= q-point: ( 0.05 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.177 ( -0.000 0.000 18.949) 18.949 0.177 ( -0.000 0.000 18.949) 18.949 0.716 ( -0.000 0.000 76.718) 76.718 4.085 ( 0.000 -0.000 -3.034) 3.034 4.085 ( 0.000 -0.000 -3.034) 3.034 9.558 ( 0.000 -0.000 -7.932) 7.932 14.498 ( -0.000 0.000 2.705) 2.705 14.498 ( -0.000 0.000 2.705) 2.705 17.529 ( 0.000 -0.000 -2.797) 2.797 17.529 ( 0.000 -0.000 -2.797) 2.797 19.564 ( -0.000 0.000 1.517) 1.517 21.265 ( 0.000 -0.000 -1.691) 1.691 ======================= Grid point 388 (102/670) ======================= q-point: ( 0.11 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( 26.630 15.375 10.079) 32.359 0.779 ( 21.591 12.465 22.226) 33.399 1.333 ( 33.080 19.099 44.002) 58.268 4.085 ( 1.592 0.919 -5.164) 5.481 4.134 ( 5.017 2.897 -3.428) 6.731 9.498 ( -2.714 -1.567 -10.287) 10.753 14.502 ( -1.033 -0.596 4.472) 4.628 14.538 ( 3.115 1.798 2.738) 4.520 17.447 ( -5.684 -3.282 -4.485) 7.950 18.260 ( 14.977 8.647 -39.505) 43.124 19.579 ( 1.403 0.810 0.477) 1.689 20.895 ( -11.755 -6.787 17.679) 22.289 ======================= Grid point 389 (103/670) ======================= q-point: ( 0.16 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( 18.003 10.394 29.143) 35.798 1.375 ( 27.207 15.708 9.775) 32.901 2.221 ( 30.916 17.849 25.072) 43.623 4.129 ( 4.076 2.354 -7.601) 8.941 4.348 ( 16.466 9.507 -3.968) 19.423 9.371 ( -5.368 -3.099 -11.982) 13.490 14.481 ( -2.133 -1.231 6.139) 6.614 14.655 ( 6.162 3.558 2.960) 7.707 17.246 ( -10.382 -5.994 -5.917) 13.368 18.251 ( -3.898 -2.250 -18.833) 19.364 19.624 ( 2.346 1.354 -1.543) 3.117 20.746 ( -6.593 -3.806 9.140) 11.895 ======================= Grid point 390 (104/670) ======================= q-point: ( 0.21 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( 19.412 11.207 21.388) 30.982 2.014 ( 25.368 14.646 11.283) 31.391 2.800 ( 13.028 7.522 23.958) 28.289 4.234 ( 7.937 4.583 -10.410) 13.870 4.932 ( 35.582 20.544 -4.009) 41.282 9.180 ( -7.940 -4.584 -12.768) 15.718 14.446 ( -2.653 -1.532 7.544) 8.142 14.832 ( 8.320 4.804 3.546) 10.241 16.944 ( -13.973 -8.067 -7.077) 17.618 18.037 ( -10.167 -5.870 -11.253) 16.263 19.666 ( 1.901 1.097 -3.382) 4.032 20.620 ( -6.779 -3.914 6.660) 10.278 ======================= Grid point 391 (105/670) ======================= q-point: ( 0.26 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.276 ( 16.718 9.652 3.500) 19.619 2.578 ( 19.871 11.472 12.823) 26.285 3.072 ( 6.458 3.728 34.545) 35.340 4.448 ( 14.329 8.273 -12.783) 20.908 5.874 ( 45.764 26.422 -4.640) 53.047 8.931 ( -10.329 -5.963 -12.173) 17.042 14.411 ( -2.502 -1.445 8.585) 9.058 15.049 ( 9.207 5.316 4.700) 11.624 16.574 ( -16.028 -9.254 -8.149) 20.223 17.730 ( -13.945 -8.051 -7.754) 17.871 19.687 ( 1.171 0.676 -6.093) 6.241 20.474 ( -7.780 -4.492 7.210) 11.519 ======================= Grid point 392 (106/670) ======================= q-point: ( 0.32 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.500 ( 3.887 2.244 -11.043) 11.920 2.979 ( 11.657 6.730 12.045) 18.063 3.455 ( 17.117 9.882 43.761) 48.017 4.823 ( 21.788 12.580 -12.591) 28.134 6.918 ( 45.599 26.327 -8.776) 53.380 8.643 ( -11.378 -6.569 -8.326) 15.554 14.389 ( -1.775 -1.025 9.220) 9.445 15.270 ( 8.109 4.682 6.862) 11.609 16.176 ( -15.743 -9.089 -9.719) 20.614 17.354 ( -16.934 -9.777 -5.943) 20.437 19.681 ( 0.598 0.345 -10.557) 10.579 20.314 ( -8.443 -4.875 10.339) 14.211 ======================= Grid point 393 (107/670) ======================= q-point: ( 0.37 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.458 ( -3.282 -1.895 -9.879) 10.581 3.199 ( 5.251 3.032 8.843) 10.723 4.074 ( 24.445 14.113 38.628) 47.842 5.338 ( 25.283 14.597 -9.751) 30.780 7.727 ( 19.597 11.315 -25.762) 34.289 8.502 ( 8.551 4.937 8.371) 12.944 14.389 ( -0.703 -0.406 9.428) 9.463 15.415 ( -0.191 -0.110 9.762) 9.764 15.845 ( -7.698 -4.444 -11.771) 14.750 16.923 ( -19.065 -11.007 -5.169) 22.613 19.647 ( 0.093 0.054 -16.887) 16.887 20.162 ( -8.077 -4.663 15.809) 18.355 ======================= Grid point 394 (108/670) ======================= q-point: ( 0.42 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.331 ( -4.874 -2.814 -7.511) 9.386 3.298 ( 1.917 1.107 5.351) 5.791 4.779 ( 27.033 15.608 33.130) 45.519 5.877 ( 23.121 13.349 -6.348) 27.442 7.581 ( -14.814 -8.553 -24.503) 29.883 9.130 ( 32.844 18.963 7.034) 38.572 14.415 ( 0.385 0.222 9.088) 9.099 15.251 ( -12.244 -7.069 1.706) 14.241 15.828 ( 5.019 2.897 -2.883) 6.473 16.463 ( -19.318 -11.154 -5.092) 22.881 19.582 ( -0.270 -0.156 -22.575) 22.577 20.051 ( -6.584 -3.801 21.020) 22.353 ======================= Grid point 395 (109/670) ======================= q-point: ( 0.47 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.208 ( -3.702 -2.137 -5.821) 7.221 3.334 ( 0.351 0.202 2.388) 2.423 5.501 ( 27.361 15.797 28.759) 42.724 6.322 ( 16.398 9.468 -3.167) 19.198 7.086 ( -21.426 -12.370 -20.429) 32.085 9.825 ( 24.738 14.282 3.248) 28.749 14.458 ( 0.833 0.481 7.719) 7.779 14.989 ( -9.527 -5.500 -2.574) 11.298 15.943 ( 4.294 2.479 2.040) 5.362 16.036 ( -15.678 -9.052 -5.075) 18.801 19.506 ( 0.397 0.229 -24.746) 24.750 19.989 ( -4.943 -2.854 23.043) 23.740 ======================= Grid point 396 (110/670) ======================= q-point: ( 0.53 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.138 ( -0.771 -0.445 -4.561) 4.647 3.335 ( -0.450 -0.260 -0.098) 0.529 6.190 ( 23.476 13.554 22.631) 35.313 6.500 ( -22.497 -12.989 -15.589) 30.296 6.583 ( 6.515 3.762 -0.230) 7.527 10.228 ( 8.900 5.138 1.526) 10.389 14.483 ( -0.777 -0.449 4.328) 4.420 14.825 ( -3.470 -2.004 -4.669) 6.153 15.765 ( -5.624 -3.247 -3.869) 7.559 16.022 ( 1.630 0.941 4.605) 4.975 19.459 ( 2.458 1.419 -24.773) 24.935 19.962 ( -3.850 -2.223 23.189) 23.611 ======================= Grid point 397 (111/670) ======================= q-point: (-0.42 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.149 ( 2.878 1.662 -3.500) 4.826 3.314 ( -1.085 -0.627 -2.273) 2.595 5.804 ( -28.213 -16.289 -16.472) 36.505 6.609 ( -4.576 -2.642 2.413) 5.809 6.871 ( 24.188 13.965 22.035) 35.575 10.217 ( -10.132 -5.849 0.461) 11.708 14.440 ( -3.257 -1.880 -0.257) 3.769 14.807 ( 3.386 1.955 -6.317) 7.429 15.784 ( 7.849 4.532 -1.721) 9.226 16.045 ( -1.147 -0.662 6.764) 6.892 19.470 ( 5.118 2.955 -24.574) 25.274 19.955 ( -3.083 -1.780 23.292) 23.563 ======================= Grid point 398 (112/670) ======================= q-point: (-0.37 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.244 ( 6.030 3.481 -2.516) 7.403 3.269 ( -2.040 -1.178 -4.245) 4.855 5.080 ( -30.519 -17.620 -15.135) 38.353 6.398 ( -14.460 -8.348 4.641) 17.330 7.462 ( 21.739 12.551 19.191) 31.597 9.786 ( -26.739 -15.438 -0.666) 30.883 14.357 ( -3.042 -1.756 -2.880) 4.542 14.930 ( 8.814 5.089 -7.937) 12.907 16.018 ( -3.052 -1.762 9.160) 9.815 16.072 ( 16.604 9.586 -1.072) 19.202 19.535 ( 7.053 4.072 -24.405) 25.728 19.968 ( -1.989 -1.148 23.507) 23.619 ======================= Grid point 399 (113/670) ======================= q-point: (-0.32 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.399 ( 7.795 4.501 -1.617) 9.146 3.188 ( -3.876 -2.238 -6.034) 7.512 4.322 ( -31.637 -18.266 -13.741) 39.030 6.000 ( -21.121 -12.194 6.387) 25.211 7.981 ( 18.666 10.777 16.823) 27.342 9.030 ( -37.979 -21.927 -2.432) 43.922 14.294 ( -1.566 -0.904 -3.676) 4.097 15.127 ( 9.618 5.553 -9.516) 14.625 15.986 ( -1.739 -1.004 11.802) 11.971 16.495 ( 19.953 11.520 -1.488) 23.088 19.625 ( 6.674 3.853 -22.096) 23.401 20.018 ( 0.463 0.267 21.537) 21.544 ======================= Grid point 400 (114/670) ======================= q-point: (-0.26 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.577 ( 7.804 4.505 -1.187) 9.089 3.042 ( -7.339 -4.237 -7.458) 11.288 3.555 ( -31.661 -18.279 -11.819) 38.421 5.504 ( -23.336 -13.473 7.535) 27.979 8.057 ( -44.729 -25.824 2.936) 51.732 8.432 ( 15.757 9.097 7.317) 19.611 14.264 ( -0.024 -0.014 -3.709) 3.709 15.245 ( 2.017 1.164 -8.038) 8.369 16.067 ( 6.504 3.755 11.458) 13.700 16.952 ( 20.078 11.592 -1.903) 23.263 19.690 ( 3.984 2.300 -15.283) 15.960 20.127 ( 3.965 2.289 14.917) 15.604 ======================= Grid point 401 (115/670) ======================= q-point: (-0.21 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.720 ( 2.061 1.190 -17.755) 17.914 2.789 ( -12.994 -7.502 -7.963) 16.987 2.820 ( -26.988 -15.582 7.498) 32.052 5.015 ( -20.729 -11.968 7.631) 25.123 6.984 ( -47.937 -27.677 -1.502) 55.374 8.795 ( 13.353 7.709 7.613) 17.196 14.269 ( 1.354 0.782 -3.383) 3.727 15.176 ( -5.635 -3.253 -3.176) 7.240 16.339 ( 13.675 7.896 7.483) 17.474 17.390 ( 18.561 10.716 -2.014) 21.526 19.715 ( 1.541 0.890 -8.532) 8.715 20.279 ( 5.910 3.412 8.190) 10.660 ======================= Grid point 402 (116/670) ======================= q-point: (-0.16 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( -27.787 -16.043 -12.923) 34.590 2.391 ( -19.684 -11.365 -6.992) 23.780 2.814 ( -0.837 -0.483 6.633) 6.703 4.626 ( -14.921 -8.615 6.185) 18.306 5.891 ( -45.939 -26.523 -2.744) 53.117 9.089 ( 10.653 6.151 4.568) 13.122 14.303 ( 2.385 1.377 -2.766) 3.903 15.005 ( -8.287 -4.784 0.021) 9.569 16.696 ( 15.109 8.723 4.638) 18.052 17.784 ( 16.322 9.423 -2.053) 18.958 19.711 ( -0.067 -0.039 -4.589) 4.589 20.436 ( 5.866 3.387 4.228) 7.985 ======================= Grid point 403 (117/670) ======================= q-point: (-0.11 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( -25.193 -14.545 -7.683) 30.088 1.860 ( -24.638 -14.225 -5.030) 28.891 2.683 ( -14.527 -8.387 8.464) 18.789 4.368 ( -9.250 -5.341 3.729) 11.314 4.933 ( -34.873 -20.134 -3.984) 40.465 9.312 ( 8.036 4.639 1.288) 9.368 14.357 ( 2.853 1.647 -1.834) 3.770 14.815 ( -8.233 -4.754 1.647) 9.649 17.037 ( 13.379 7.724 2.663) 15.677 18.122 ( 13.755 7.941 -2.804) 16.128 19.684 ( -1.324 -0.764 -2.627) 3.039 20.568 ( 4.714 2.722 2.609) 6.036 ======================= Grid point 404 (118/670) ======================= q-point: (-0.05 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( -21.789 -12.580 3.324) 25.378 1.253 ( -26.917 -15.540 -2.888) 31.214 2.136 ( -35.775 -20.655 11.821) 42.967 4.212 ( -5.267 -3.041 1.235) 6.206 4.345 ( -15.307 -8.838 -4.282) 18.186 9.465 ( 5.408 3.122 -1.978) 6.551 14.417 ( 2.620 1.513 -0.576) 3.080 14.650 ( -6.553 -3.783 2.399) 7.938 17.311 ( 9.775 5.644 0.864) 11.321 18.388 ( 10.383 5.995 -7.070) 13.919 19.635 ( -2.224 -1.284 -1.825) 3.150 20.669 ( 3.345 1.931 4.058) 5.602 ======================= Grid point 407 (119/670) ======================= q-point: ( 0.11 0.11 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.656 ( -0.000 28.825 6.127) 29.469 0.799 ( -0.000 20.705 26.011) 33.246 1.564 ( -0.000 37.982 51.051) 63.630 4.085 ( 0.000 3.667 -6.790) 7.717 4.101 ( 0.000 3.413 -4.017) 5.271 9.464 ( 0.000 -2.841 -12.729) 13.042 14.490 ( -0.000 -2.283 3.751) 4.392 14.575 ( -0.000 4.681 5.159) 6.966 17.459 ( 0.000 -5.348 -3.773) 6.545 18.111 ( 0.000 19.507 -38.999) 43.606 19.580 ( -0.000 0.808 1.224) 1.467 20.950 ( -0.000 -13.970 14.740) 20.308 ======================= Grid point 408 (120/670) ======================= q-point: ( 0.16 0.11 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( 17.121 17.650 18.479) 30.759 1.235 ( 16.849 19.913 17.578) 31.455 2.221 ( 13.044 36.645 38.913) 55.020 4.102 ( 0.517 5.178 -7.937) 9.491 4.218 ( 8.718 9.413 -6.031) 14.177 9.364 ( -2.727 -3.989 -14.381) 15.171 14.483 ( 0.459 -3.302 5.264) 6.231 14.660 ( 1.620 6.818 5.424) 8.862 17.312 ( -7.073 -7.597 -5.389) 11.696 18.163 ( 2.880 -0.088 -25.806) 25.966 19.601 ( 1.226 0.968 -0.453) 1.626 20.829 ( -4.908 -6.993 10.276) 13.363 ======================= Grid point 409 (121/670) ======================= q-point: ( 0.21 0.11 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( 17.933 10.015 27.413) 34.254 1.814 ( 21.355 20.227 6.642) 30.154 2.836 ( 9.216 21.326 33.063) 40.409 4.166 ( 3.295 7.487 -10.135) 13.024 4.626 ( 24.052 23.247 -6.580) 34.091 9.203 ( -5.419 -5.001 -15.010) 16.723 14.468 ( -0.430 -3.810 7.335) 8.277 14.803 ( 4.382 8.189 5.195) 10.642 17.048 ( -11.069 -9.844 -6.875) 16.330 18.046 ( -3.744 -7.481 -16.451) 18.456 19.629 ( 1.800 0.094 -2.862) 3.383 20.710 ( -5.774 -4.608 7.781) 10.729 ======================= Grid point 410 (122/670) ======================= q-point: ( 0.26 0.11 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( 16.208 8.914 15.491) 24.128 2.369 ( 20.530 12.835 8.288) 25.592 3.183 ( 3.246 11.306 35.277) 37.186 4.318 ( 7.981 11.766 -12.425) 18.882 5.436 ( 37.359 33.084 -5.970) 50.258 8.988 ( -7.990 -5.826 -14.242) 17.338 14.441 ( -1.062 -3.918 8.964) 9.840 14.999 ( 6.553 8.651 5.443) 12.141 16.704 ( -13.836 -11.138 -7.886) 19.433 17.805 ( -8.684 -10.308 -11.454) 17.688 19.640 ( 1.625 -1.264 -5.905) 6.254 20.583 ( -6.923 -3.942 7.945) 11.251 ======================= Grid point 411 (123/670) ======================= q-point: ( 0.32 0.11 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.407 ( 7.545 4.454 -4.543) 9.869 2.809 ( 16.843 3.887 14.816) 22.767 3.502 ( 8.117 12.919 40.974) 43.723 4.621 ( 15.008 18.184 -12.741) 26.800 6.436 ( 41.156 33.293 -8.231) 53.572 8.733 ( -9.844 -6.007 -10.983) 15.925 14.413 ( -0.907 -4.211 9.989) 10.878 15.224 ( 7.344 8.428 6.408) 12.885 16.316 ( -15.206 -10.961 -8.776) 20.698 17.480 ( -12.568 -11.804 -8.697) 19.311 19.621 ( 1.264 -2.557 -10.113) 10.508 20.446 ( -7.934 -3.535 10.328) 13.495 ======================= Grid point 412 (124/670) ======================= q-point: ( 0.37 0.11 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.447 ( -0.632 -0.661 -10.234) 10.275 3.103 ( 10.432 -0.671 12.285) 16.131 3.987 ( 17.063 14.870 40.163) 46.101 5.103 ( 20.306 23.136 -9.827) 32.314 7.359 ( 32.588 23.995 -18.416) 44.462 8.518 ( -4.511 -0.996 -0.145) 4.622 14.390 ( 0.075 -5.331 10.360) 11.652 15.442 ( 5.213 7.497 8.694) 12.609 15.931 ( -13.703 -8.735 -10.401) 19.293 17.090 ( -15.799 -12.448 -7.244) 21.379 19.571 ( 0.933 -3.410 -15.369) 15.770 20.311 ( -8.170 -3.075 14.332) 16.781 ======================= Grid point 413 (125/670) ======================= q-point: ( 0.42 0.11 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( -3.845 -2.288 -9.441) 10.448 3.245 ( 5.333 -2.919 7.317) 9.513 4.605 ( 23.200 14.986 35.762) 45.186 5.671 ( 20.222 24.001 -5.995) 31.952 7.620 ( -4.969 -2.309 -27.696) 28.233 8.824 ( 26.068 18.422 9.894) 33.418 14.372 ( 1.785 -8.047 9.844) 12.839 15.467 ( -13.691 0.898 2.945) 14.033 15.753 ( 4.652 1.073 -3.529) 5.937 16.655 ( -17.896 -11.730 -6.686) 22.417 19.494 ( 0.725 -3.355 -20.369) 20.656 20.199 ( -7.342 -2.801 18.517) 20.115 ======================= Grid point 414 (126/670) ======================= q-point: ( 0.47 0.11 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( -4.082 -1.832 -8.110) 9.262 3.295 ( 2.940 -3.968 3.587) 6.104 5.280 ( 26.032 14.008 30.863) 42.736 6.195 ( 15.134 21.195 -2.479) 26.161 7.256 ( -17.905 -8.901 -21.961) 29.700 9.526 ( 28.094 16.222 5.244) 32.862 14.348 ( 3.937 -12.576 7.830) 15.329 15.221 ( -14.969 4.728 -2.815) 15.948 15.883 ( 5.487 1.756 3.703) 6.849 16.226 ( -17.165 -8.092 -6.319) 20.001 19.411 ( 1.036 -2.082 -23.623) 23.738 20.120 ( -5.810 -2.984 21.353) 22.330 ======================= Grid point 415 (127/670) ======================= q-point: ( 0.53 0.11 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.144 ( -2.252 -0.180 -6.975) 7.332 3.299 ( 1.873 -4.488 0.808) 4.929 5.951 ( 26.360 11.832 25.592) 38.597 6.523 ( 0.179 4.793 -3.009) 5.662 6.788 ( -16.812 1.319 -13.697) 21.725 10.059 ( 17.682 6.812 2.782) 19.152 14.304 ( 5.867 -16.701 4.017) 18.152 15.057 ( -12.335 11.105 -3.270) 16.917 15.846 ( -8.852 -5.026 -4.513) 11.135 16.033 ( 0.277 3.014 4.830) 5.700 19.352 ( 2.248 0.129 -25.005) 25.106 20.071 ( -4.187 -3.462 22.676) 23.318 ======================= Grid point 416 (128/670) ======================= q-point: (-0.42 0.11 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.120 ( 0.919 1.991 -6.036) 6.422 3.279 ( 1.245 -4.814 -1.378) 5.160 6.065 ( -25.604 -14.927 -13.695) 32.648 6.533 ( 18.345 5.222 14.698) 24.080 6.860 ( 1.263 18.311 9.371) 20.608 10.247 ( 1.251 -4.200 1.494) 4.630 14.250 ( 7.030 -17.414 0.093) 18.780 14.984 ( -9.436 14.240 -4.984) 17.795 15.738 ( 0.683 2.904 -3.524) 4.617 16.082 ( -0.279 1.160 7.601) 7.694 19.342 ( 4.185 2.586 -25.239) 25.714 20.047 ( -2.763 -3.839 23.145) 23.623 ======================= Grid point 417 (129/670) ======================= q-point: (-0.37 0.11 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.178 ( 4.363 3.938 -5.271) 7.895 3.238 ( 0.493 -5.217 -3.145) 6.111 5.393 ( -29.731 -15.661 -11.634) 35.561 6.608 ( -11.206 1.092 3.902) 11.916 7.289 ( 19.255 13.997 18.879) 30.383 10.024 ( -16.903 -13.354 0.594) 21.550 14.208 ( 7.129 -14.763 -2.088) 16.526 14.993 ( -4.130 15.443 -7.388) 17.610 15.892 ( 10.962 6.001 -1.221) 12.557 16.096 ( -1.532 1.568 8.431) 8.711 19.389 ( 6.128 4.533 -24.806) 25.951 20.044 ( -1.448 -3.780 23.131) 23.482 ======================= Grid point 418 (130/670) ======================= q-point: (-0.32 0.11 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.308 ( 6.983 5.069 -4.838) 9.893 3.168 ( -0.918 -6.085 -4.488) 7.617 4.674 ( -32.170 -15.128 -8.890) 36.644 6.315 ( -21.989 -3.219 4.927) 22.763 7.804 ( 19.647 10.591 15.184) 26.995 9.436 ( -32.086 -18.769 -0.073) 37.172 14.190 ( 5.943 -10.308 -2.575) 12.175 15.100 ( 1.705 14.360 -9.081) 17.076 16.023 ( -0.065 -3.278 10.254) 10.765 16.287 ( 15.568 11.500 -1.320) 19.399 19.479 ( 7.062 5.330 -23.394) 25.011 20.069 ( 0.159 -3.039 22.183) 22.391 ======================= Grid point 419 (131/670) ======================= q-point: (-0.26 0.11 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.475 ( 8.018 5.039 -5.553) 10.978 3.046 ( -3.730 -8.168 -4.923) 10.240 3.947 ( -33.325 -12.836 -5.312) 36.104 5.857 ( -26.709 -6.469 5.801) 28.087 8.257 ( 17.449 8.242 8.297) 21.005 8.589 ( -42.484 -20.962 1.951) 47.414 14.190 ( 4.464 -6.084 -2.308) 7.891 15.236 ( 1.730 9.823 -9.011) 13.441 16.039 ( 2.634 -1.195 11.733) 12.084 16.707 ( 19.926 10.744 -2.727) 22.802 19.578 ( 6.152 4.641 -19.755) 21.205 20.132 ( 2.472 -1.518 18.932) 19.153 ======================= Grid point 420 (132/670) ======================= q-point: (-0.21 0.11 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.608 ( 3.948 0.293 -13.775) 14.333 2.839 ( -7.371 -9.849 0.857) 12.331 3.273 ( -31.420 -6.988 0.825) 32.198 5.342 ( -26.226 -7.527 5.859) 27.907 7.578 ( -48.988 -20.531 -3.328) 53.220 8.644 ( 15.055 5.948 8.802) 18.426 14.209 ( 3.705 -2.993 -1.803) 5.093 15.252 ( -4.838 2.971 -4.740) 7.396 16.202 ( 11.337 3.262 8.226) 14.381 17.144 ( 20.219 9.210 -3.162) 22.442 19.651 ( 3.853 3.018 -13.846) 14.686 20.240 ( 4.873 0.171 13.287) 14.153 ======================= Grid point 421 (133/670) ======================= q-point: (-0.16 0.11 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.284 ( -19.974 -16.990 -11.585) 28.668 2.703 ( -19.594 0.791 -13.212) 23.645 2.861 ( -4.778 -1.482 19.041) 19.688 4.876 ( -21.177 -6.454 4.657) 22.623 6.503 ( -51.541 -18.466 -3.362) 54.852 8.953 ( 12.740 4.287 4.133) 14.063 14.247 ( 3.626 -0.979 -1.120) 3.919 15.127 ( -9.055 -0.867 -0.500) 9.110 16.507 ( 16.046 4.936 4.256) 17.319 17.554 ( 18.884 7.455 -3.462) 20.596 19.685 ( 1.560 1.573 -8.394) 8.681 20.375 ( 6.034 1.024 8.068) 10.127 ======================= Grid point 422 (134/670) ======================= q-point: (-0.11 0.11 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( -24.345 -13.947 -1.802) 28.115 2.237 ( -27.869 -2.133 -4.703) 28.343 2.845 ( -6.007 -2.283 11.694) 13.344 4.529 ( -14.302 -4.404 2.189) 15.124 5.466 ( -47.664 -13.532 -4.021) 49.711 9.193 ( 10.347 2.723 0.025) 10.700 14.305 ( 3.725 0.219 -0.183) 3.736 14.946 ( -10.061 -2.025 1.685) 10.400 16.845 ( 16.389 4.068 1.618) 16.963 17.914 ( 16.703 5.601 -4.324) 18.140 19.686 ( -0.297 0.668 -4.924) 4.978 20.509 ( 5.807 0.933 5.133) 7.806 ======================= Grid point 423 (135/670) ======================= q-point: (-0.05 0.11 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( -23.233 -7.206 11.097) 26.736 1.697 ( -31.416 -1.306 -1.108) 31.462 2.591 ( -24.735 -6.960 13.402) 28.980 4.302 ( -8.651 -2.753 -0.909) 9.124 4.657 ( -31.978 -4.912 -4.467) 32.660 9.363 ( 7.903 1.240 -3.783) 8.849 14.375 ( 3.531 0.846 1.076) 3.787 14.766 ( -9.117 -1.889 2.608) 9.669 17.142 ( 14.113 1.837 -0.569) 14.243 18.204 ( 13.587 3.558 -7.432) 15.890 19.659 ( -1.840 0.247 -3.083) 3.599 20.623 ( 5.011 0.351 5.035) 7.112 ======================= Grid point 427 (136/670) ======================= q-point: ( 0.16 0.16 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( -0.000 29.532 5.103) 29.969 1.349 ( -0.000 17.404 31.294) 35.808 2.621 ( -0.000 35.980 40.281) 54.010 4.174 ( 0.000 7.028 -5.190) 8.737 4.191 ( 0.000 15.440 -12.025) 19.570 9.297 ( 0.000 -4.655 -15.919) 16.586 14.462 ( -0.000 -3.212 5.333) 6.225 14.739 ( -0.000 7.806 6.961) 10.459 17.274 ( 0.000 -10.444 -4.773) 11.483 18.047 ( 0.000 -2.270 -24.896) 25.000 19.594 ( 0.000 -0.009 -0.945) 0.945 20.829 ( -0.000 -6.926 9.044) 11.391 ======================= Grid point 428 (137/670) ======================= q-point: ( 0.21 0.16 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( 7.820 17.933 24.279) 31.180 1.750 ( 13.132 22.395 10.268) 27.918 3.073 ( 2.711 21.696 37.111) 43.073 4.211 ( -1.013 11.279 -8.718) 14.292 4.516 ( 15.350 29.019 -9.974) 34.310 9.174 ( -2.762 -5.098 -16.361) 17.358 14.450 ( 0.250 -3.585 6.846) 7.732 14.858 ( 1.742 8.901 7.069) 11.499 17.080 ( -7.069 -12.001 -5.964) 15.151 17.934 ( 0.221 -8.412 -19.489) 21.228 19.590 ( 0.935 -1.548 -2.951) 3.462 20.766 ( -3.218 -4.832 8.082) 9.951 ======================= Grid point 429 (138/670) ======================= q-point: ( 0.26 0.16 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.023 ( 11.261 10.625 23.992) 28.554 2.224 ( 15.308 17.693 3.272) 23.624 3.367 ( 1.685 10.874 34.957) 36.648 4.326 ( 2.944 15.632 -10.135) 18.861 5.219 ( 27.490 40.362 -7.415) 49.394 9.002 ( -5.459 -5.278 -15.383) 17.155 14.437 ( -0.279 -4.104 8.820) 9.732 15.020 ( 3.964 9.421 6.621) 12.178 16.777 ( -11.025 -12.699 -7.154) 18.275 17.753 ( -3.283 -12.168 -14.613) 19.297 19.572 ( 1.374 -3.549 -5.906) 7.026 20.678 ( -5.239 -3.269 8.419) 10.441 ======================= Grid point 430 (139/670) ======================= q-point: ( 0.32 0.16 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.318 ( 7.650 4.500 4.945) 10.160 2.632 ( 14.502 8.311 11.577) 20.332 3.634 ( 5.091 11.245 36.153) 38.202 4.584 ( 9.195 22.639 -9.711) 26.295 6.133 ( 33.182 40.293 -8.209) 52.839 8.793 ( -7.673 -4.809 -12.220) 15.209 14.412 ( -0.948 -4.990 10.382) 11.558 15.218 ( 5.939 9.032 6.294) 12.509 16.421 ( -13.127 -11.898 -7.678) 19.309 17.492 ( -7.270 -13.872 -11.295) 19.310 19.527 ( 1.422 -5.445 -9.597) 11.126 20.576 ( -6.774 -2.240 10.104) 12.369 ======================= Grid point 431 (140/670) ======================= q-point: ( 0.37 0.16 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.403 ( 1.673 -0.725 -7.644) 7.858 2.945 ( 11.476 0.510 14.759) 18.703 4.008 ( 11.191 13.839 35.356) 39.583 5.032 ( 15.499 28.997 -6.696) 33.554 7.031 ( 30.821 31.715 -14.828) 46.644 8.599 ( -6.444 -1.095 -4.151) 7.743 14.368 ( -1.204 -7.051 10.977) 13.102 15.435 ( 7.076 7.804 6.292) 12.270 16.059 ( -13.966 -8.716 -7.455) 18.072 17.163 ( -10.937 -14.185 -9.223) 20.147 19.455 ( 1.417 -6.620 -13.751) 15.327 20.467 ( -7.708 -1.642 12.731) 14.973 ======================= Grid point 432 (141/670) ======================= q-point: ( 0.42 0.16 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.351 ( -1.752 -2.575 -10.289) 10.750 3.122 ( 7.142 -4.316 10.321) 13.273 4.509 ( 17.642 14.972 33.184) 40.455 5.610 ( 17.613 31.213 -3.309) 35.992 7.536 ( 7.230 7.897 -26.837) 28.894 8.688 ( 12.649 14.845 9.214) 21.570 14.295 ( -0.789 -10.878 10.141) 14.893 15.646 ( 7.377 5.410 5.903) 10.887 15.739 ( -14.024 -2.426 -5.710) 15.335 16.787 ( -13.881 -12.798 -8.062) 20.530 19.365 ( 1.636 -6.559 -17.764) 19.007 20.361 ( -7.822 -1.629 15.637) 17.560 ======================= Grid point 433 (142/670) ======================= q-point: ( 0.47 0.16 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.251 ( -2.973 -2.051 -10.172) 10.795 3.188 ( 4.500 -6.618 5.957) 9.977 5.097 ( 22.008 14.246 29.747) 39.651 6.191 ( 14.533 29.299 -0.382) 32.708 7.377 ( -12.148 -4.875 -23.712) 27.085 9.254 ( 24.603 17.909 7.578) 31.360 14.188 ( 0.486 -15.492 7.638) 17.280 15.501 ( -12.355 3.889 -4.971) 13.873 15.824 ( 5.421 3.225 7.134) 9.523 16.402 ( -14.943 -8.519 -7.157) 18.630 19.279 ( 2.260 -5.021 -20.983) 21.694 20.266 ( -7.094 -2.306 18.194) 19.664 ======================= Grid point 434 (143/670) ======================= q-point: ( 0.53 0.16 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( -2.428 -0.188 -9.419) 9.728 3.196 ( 3.357 -7.700 2.794) 8.852 5.713 ( 23.910 12.367 25.313) 36.951 6.603 ( 1.282 14.104 -0.186) 14.164 7.027 ( -13.134 3.811 -16.137) 21.152 9.808 ( 20.610 8.491 4.503) 22.741 14.063 ( 2.767 -18.389 4.114) 19.045 15.356 ( -10.955 9.368 -3.416) 14.813 15.894 ( -1.937 -3.092 1.697) 4.024 16.130 ( -7.562 1.645 -0.615) 7.764 19.220 ( 3.328 -2.231 -23.067) 23.412 20.187 ( -5.692 -3.471 20.080) 21.158 ======================= Grid point 435 (144/670) ======================= q-point: ( 0.58 0.16 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( -0.407 2.238 -8.555) 8.852 3.175 ( 2.867 -8.202 0.510) 8.703 6.288 ( 7.678 2.784 8.593) 11.855 6.320 ( -7.902 -4.666 0.353) 9.183 7.108 ( -2.428 23.123 1.923) 23.329 10.116 ( 9.905 -2.880 2.718) 10.668 13.958 ( 5.646 -18.438 0.762) 19.298 15.274 ( -9.864 11.946 -4.183) 16.046 15.783 ( -4.060 1.204 -3.686) 5.614 16.131 ( -0.682 2.998 7.228) 7.855 19.210 ( 4.690 1.110 -24.009) 24.488 20.128 ( -3.875 -4.666 21.239) 22.088 ======================= Grid point 436 (145/670) ======================= q-point: (-0.37 0.16 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( 2.465 4.441 -7.775) 9.287 3.137 ( 2.373 -8.416 -1.102) 8.814 5.715 ( -27.890 -12.914 -8.794) 31.968 6.722 ( 7.783 6.822 9.850) 14.288 7.293 ( 1.414 17.546 10.674) 20.586 10.092 ( -5.063 -11.875 1.654) 13.015 13.904 ( 8.406 -16.168 -1.455) 18.280 15.231 ( -7.725 13.812 -6.461) 17.094 15.813 ( 4.258 5.388 -1.861) 7.115 16.163 ( -1.242 2.042 8.304) 8.641 19.254 ( 6.039 4.084 -23.953) 25.037 20.095 ( -1.915 -5.408 21.668) 22.415 ======================= Grid point 437 (146/670) ======================= q-point: (-0.32 0.16 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.236 ( 5.221 5.777 -7.317) 10.685 3.080 ( 1.294 -8.606 -2.015) 8.933 5.059 ( -30.927 -12.350 -5.642) 33.776 6.691 ( -17.740 4.269 4.071) 18.695 7.637 ( 15.727 10.718 13.118) 23.115 9.726 ( -21.078 -16.369 1.121) 26.711 13.918 ( 10.199 -12.483 -2.052) 16.250 15.250 ( -4.000 14.867 -8.145) 17.418 15.964 ( 6.328 0.427 3.589) 7.287 16.222 ( 3.811 6.490 4.387) 8.712 19.344 ( 6.934 5.926 -22.926) 24.674 20.091 ( 0.037 -5.398 21.204) 21.881 ======================= Grid point 438 (147/670) ======================= q-point: (-0.26 0.16 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.378 ( 6.849 5.924 -7.800) 11.952 2.991 ( -1.032 -9.064 -1.754) 9.290 4.387 ( -32.389 -10.330 -1.885) 34.048 6.316 ( -28.092 0.084 3.905) 28.362 8.054 ( 17.669 7.083 7.686) 20.529 9.078 ( -34.705 -16.994 2.040) 38.696 13.984 ( 9.791 -8.489 -1.423) 13.037 15.324 ( -1.381 13.275 -8.925) 16.056 16.014 ( 1.495 -4.040 9.965) 10.857 16.490 ( 15.469 9.504 -1.633) 18.229 19.458 ( 6.821 6.259 -20.568) 22.556 20.122 ( 2.067 -4.576 19.335) 19.976 ======================= Grid point 439 (148/670) ======================= q-point: (-0.21 0.16 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.513 ( 4.939 3.877 -11.378) 12.996 2.851 ( -4.280 -8.963 1.774) 10.089 3.751 ( -31.393 -6.643 2.963) 32.225 5.798 ( -30.847 -2.890 3.594) 31.190 8.183 ( -37.153 -10.750 -11.911) 40.470 8.475 ( 8.694 0.281 16.674) 18.806 14.067 ( 7.791 -4.897 -0.362) 9.209 15.367 ( -4.182 7.819 -6.434) 10.955 16.076 ( 7.079 -1.577 8.382) 11.084 16.875 ( 19.396 7.746 -2.887) 21.084 19.564 ( 5.390 5.222 -16.390) 18.027 20.192 ( 4.232 -3.178 15.526) 16.403 ======================= Grid point 440 (149/670) ======================= q-point: (-0.16 0.16 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.416 ( -12.560 -6.290 -9.448) 16.928 2.776 ( 1.137 -0.355 -1.315) 1.774 3.223 ( -26.426 -2.869 11.277) 28.874 5.259 ( -28.123 -3.836 2.262) 28.473 7.238 ( -51.184 -10.765 -4.144) 52.467 8.764 ( 14.350 1.927 4.195) 15.074 14.150 ( 5.917 -2.127 0.734) 6.330 15.287 ( -8.909 2.273 -1.612) 9.335 16.283 ( 14.369 1.051 3.505) 14.828 17.272 ( 19.954 5.608 -3.320) 20.992 19.639 ( 3.180 3.604 -11.202) 12.189 20.297 ( 5.973 -1.893 10.666) 12.370 ======================= Grid point 441 (150/670) ======================= q-point: (-0.11 0.16 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.023 ( -22.401 -4.939 1.968) 23.023 2.649 ( -18.997 1.587 -11.685) 22.359 2.949 ( -6.743 -2.357 21.340) 22.504 4.798 ( -21.456 -3.154 -0.401) 21.691 6.238 ( -53.318 -5.669 -3.371) 53.724 9.011 ( 12.454 0.524 -0.969) 12.503 14.234 ( 4.837 -0.299 1.892) 5.203 15.122 ( -10.897 -0.104 1.214) 10.965 16.578 ( 17.362 0.744 -0.043) 17.378 17.640 ( 18.715 3.471 -3.947) 19.439 19.676 ( 1.048 2.285 -6.901) 7.345 20.418 ( 6.625 -1.353 6.868) 9.638 ======================= Grid point 442 (151/670) ======================= q-point: (-0.05 0.16 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( -23.647 2.887 13.974) 27.619 2.222 ( -28.167 2.420 -1.559) 28.313 2.871 ( -9.312 -3.362 15.365) 18.279 4.463 ( -14.086 -1.797 -3.895) 14.724 5.324 ( -47.773 1.582 -3.133) 47.901 9.195 ( 10.252 -0.805 -5.219) 11.532 14.322 ( 4.253 0.680 3.232) 5.385 14.935 ( -10.836 -0.515 2.354) 11.100 16.870 ( 16.898 -1.239 -2.583) 17.139 17.951 ( 16.216 1.266 -5.755) 17.254 19.679 ( -0.741 1.544 -4.246) 4.579 20.535 ( 6.375 -1.508 5.315) 8.436 ======================= Grid point 447 (152/670) ======================= q-point: ( 0.21 0.21 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( -0.000 14.792 26.678) 30.504 1.871 ( -0.000 26.742 5.845) 27.374 3.338 ( -0.000 12.162 34.671) 36.742 4.326 ( 0.000 12.295 -6.506) 13.910 4.692 ( 0.000 43.521 -10.701) 44.817 9.097 ( 0.000 -4.876 -16.618) 17.319 14.438 ( -0.000 -2.990 7.404) 7.985 14.955 ( -0.000 8.772 7.817) 11.750 16.997 ( 0.000 -13.861 -5.654) 14.970 17.775 ( 0.000 -10.672 -19.011) 21.802 19.545 ( 0.000 -3.738 -4.177) 5.605 20.775 ( -0.000 -3.784 8.135) 8.972 ======================= Grid point 448 (153/670) ======================= q-point: ( 0.26 0.21 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.084 ( 3.280 10.690 21.627) 24.347 2.223 ( 8.225 20.658 4.618) 22.709 3.541 ( 1.066 8.099 32.452) 33.465 4.443 ( 0.362 17.446 -7.561) 19.017 5.272 ( 14.720 49.309 -7.049) 51.940 8.977 ( -2.772 -4.299 -15.469) 16.293 14.433 ( -0.240 -2.951 8.863) 9.345 15.080 ( 1.985 8.201 7.447) 11.254 16.778 ( -6.578 -13.917 -6.336) 16.647 17.601 ( -0.125 -13.777 -16.121) 21.206 19.487 ( 0.716 -6.118 -6.393) 8.878 20.747 ( -2.755 -2.255 8.626) 9.332 ======================= Grid point 449 (154/670) ======================= q-point: ( 0.32 0.21 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( 4.410 2.327 9.043) 10.326 2.564 ( 9.302 13.235 8.146) 18.112 3.773 ( 3.637 11.017 32.813) 34.804 4.672 ( 5.497 24.324 -6.724) 25.828 6.060 ( 22.459 46.872 -7.520) 52.516 8.827 ( -5.192 -2.985 -12.299) 13.679 14.419 ( -1.285 -3.863 10.508) 11.269 15.230 ( 4.283 6.743 6.307) 10.178 16.481 ( -10.089 -11.895 -6.591) 16.933 17.388 ( -2.431 -15.760 -13.030) 20.593 19.408 ( 1.158 -8.202 -9.210) 12.387 20.692 ( -4.946 -1.033 9.699) 10.936 ======================= Grid point 450 (155/670) ======================= q-point: ( 0.37 0.21 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.331 ( 2.450 -3.110 -3.392) 5.214 2.840 ( 8.285 4.573 12.368) 15.573 4.093 ( 7.230 14.524 31.496) 35.429 5.081 ( 12.041 30.651 -3.870) 33.158 6.861 ( 23.464 37.523 -12.781) 46.064 8.686 ( -5.459 1.031 -5.421) 7.762 14.368 ( -2.793 -6.485 11.289) 13.315 15.394 ( 6.451 4.013 4.573) 8.867 16.180 ( -11.288 -6.852 -5.192) 14.189 17.124 ( -5.586 -16.012 -10.654) 20.027 19.309 ( 1.501 -9.431 -12.276) 15.553 20.618 ( -6.600 -0.413 11.210) 13.015 ======================= Grid point 451 (156/670) ======================= q-point: ( 0.42 0.21 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.294 ( 0.678 -4.722 -9.108) 10.282 3.007 ( 5.679 -2.277 11.125) 12.697 4.507 ( 11.980 16.339 29.894) 36.113 5.641 ( 16.011 33.662 -1.346) 37.300 7.410 ( 11.385 16.831 -22.835) 30.567 8.716 ( 3.882 13.217 6.166) 15.092 14.258 ( -3.941 -11.065 10.261) 15.597 15.545 ( 7.157 -0.254 1.238) 7.268 15.950 ( -10.550 1.554 -0.539) 10.677 16.821 ( -8.553 -14.076 -8.979) 18.760 19.202 ( 2.065 -9.373 -15.251) 18.020 20.529 ( -7.624 -0.508 12.922) 15.012 ======================= Grid point 452 (157/670) ======================= q-point: ( 0.47 0.21 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.221 ( -0.341 -3.743 -11.107) 11.725 3.070 ( 3.611 -6.376 8.121) 10.938 5.004 ( 16.458 15.885 27.856) 36.044 6.251 ( 15.290 33.124 0.550) 36.487 7.432 ( -6.178 -0.092 -24.120) 24.899 9.110 ( 16.257 19.281 8.970) 26.767 14.083 ( -3.703 -15.788 7.539) 17.883 15.606 ( 0.802 -1.071 -4.166) 4.376 15.874 ( -3.889 5.822 6.819) 9.773 16.513 ( -10.381 -8.893 -7.363) 15.526 19.107 ( 3.096 -7.839 -17.798) 19.693 20.429 ( -7.907 -1.321 14.616) 16.670 ======================= Grid point 453 (158/670) ======================= q-point: ( 0.53 0.21 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( -0.581 -1.213 -11.412) 11.491 3.069 ( 2.804 -8.706 5.414) 10.629 5.546 ( 19.555 13.881 24.678) 34.411 6.741 ( 3.422 20.522 1.274) 20.844 7.203 ( -8.043 5.618 -18.784) 21.192 9.586 ( 17.089 10.452 6.469) 21.051 13.883 ( -1.572 -18.273 4.324) 18.844 15.566 ( -5.299 5.108 -3.716) 8.245 15.898 ( -0.763 -0.755 4.639) 4.762 16.280 ( -8.519 0.388 -2.776) 8.969 19.050 ( 4.562 -4.945 -19.652) 20.771 20.325 ( -7.358 -2.689 16.141) 17.942 ======================= Grid point 454 (159/670) ======================= q-point: ( 0.58 0.21 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.114 ( 0.058 1.974 -10.907) 11.085 3.036 ( 2.850 -10.000 3.305) 10.911 6.089 ( 20.642 10.973 20.161) 30.870 6.557 ( -20.200 -6.977 -8.175) 22.881 7.376 ( 1.414 27.899 -2.857) 28.081 9.902 ( 12.245 -1.879 4.380) 13.140 13.712 ( 2.023 -18.024 1.526) 18.201 15.512 ( -7.200 8.187 -3.899) 11.579 15.848 ( -3.229 -0.351 -1.147) 3.444 16.220 ( -3.252 4.578 4.694) 7.319 19.048 ( 6.093 -1.189 -20.690) 21.602 20.227 ( -5.946 -4.275 17.389) 18.868 ======================= Grid point 455 (160/670) ======================= q-point: (-0.37 0.21 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( 1.520 4.887 -10.059) 11.287 2.993 ( 3.111 -10.501 1.791) 11.097 6.038 ( -25.529 -9.595 -7.183) 28.202 6.592 ( 18.058 8.589 15.553) 25.333 7.588 ( -6.789 23.282 1.765) 24.316 9.987 ( 3.863 -11.395 2.890) 12.374 13.615 ( 6.133 -15.643 -0.447) 16.808 15.463 ( -7.086 10.335 -5.878) 13.841 15.827 ( -0.363 3.770 -1.051) 3.930 16.238 ( -1.930 3.154 6.999) 7.916 19.105 ( 7.202 2.582 -20.950) 22.303 20.148 ( -3.793 -5.648 18.230) 19.458 ======================= Grid point 456 (161/670) ======================= q-point: (-0.32 0.21 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( 3.407 6.754 -9.244) 11.945 2.947 ( 2.926 -10.316 0.962) 10.766 5.453 ( -29.205 -9.306 -3.871) 30.895 6.919 ( 3.140 6.791 8.310) 11.182 7.663 ( -3.924 14.361 5.604) 15.907 9.827 ( -8.099 -15.108 2.049) 17.264 13.614 ( 9.909 -11.899 -1.240) 15.534 15.446 ( -5.393 12.198 -7.399) 15.251 15.894 ( 3.738 2.425 1.247) 4.627 16.263 ( -0.427 3.328 6.045) 6.914 19.210 ( 7.631 5.463 -20.494) 22.540 20.102 ( -1.241 -6.427 18.440) 19.567 ======================= Grid point 457 (162/670) ======================= q-point: (-0.26 0.21 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.315 ( 5.003 7.282 -8.917) 12.553 2.892 ( 1.676 -9.583 1.125) 9.793 4.840 ( -31.229 -7.788 -0.116) 32.186 6.807 ( -22.874 4.517 3.269) 23.544 7.867 ( 12.432 6.487 5.425) 15.036 9.426 ( -22.217 -14.018 2.237) 26.365 13.705 ( 12.087 -7.897 -0.755) 14.458 15.470 ( -3.417 12.381 -8.304) 15.295 15.965 ( 2.646 -3.312 6.291) 7.586 16.371 ( 7.289 6.032 1.428) 9.568 19.340 ( 7.355 6.879 -19.186) 21.668 20.094 ( 1.298 -6.426 17.668) 18.845 ======================= Grid point 458 (163/670) ======================= q-point: (-0.21 0.21 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.447 ( 5.032 6.699 -9.820) 12.908 2.817 ( -0.853 -8.354 3.004) 8.918 4.241 ( -31.352 -5.275 4.322) 32.085 6.346 ( -32.465 0.622 1.876) 32.525 8.172 ( 14.696 3.270 -2.732) 15.301 8.822 ( -33.787 -10.774 6.211) 36.003 13.851 ( 11.597 -4.422 0.568) 12.424 15.503 ( -3.725 9.833 -7.473) 12.900 15.981 ( 3.202 -4.985 7.764) 9.767 16.631 ( 15.353 5.552 -1.527) 16.397 19.471 ( 6.308 6.752 -16.651) 19.043 20.128 ( 3.621 -5.713 15.502) 16.914 ======================= Grid point 459 (164/670) ======================= q-point: (-0.16 0.21 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.514 ( -2.671 4.464 -9.706) 11.012 2.738 ( -0.017 -4.998 4.317) 6.605 3.704 ( -28.835 -2.493 10.221) 30.695 5.770 ( -33.394 -1.532 0.278) 33.431 7.971 ( -41.825 -3.017 -9.462) 42.988 8.541 ( 11.982 -1.888 8.428) 14.770 14.006 ( 9.206 -1.664 2.129) 9.594 15.459 ( -7.902 4.321 -2.722) 9.408 16.072 ( 10.186 -2.553 3.007) 10.923 16.970 ( 19.048 3.391 -2.383) 19.494 19.580 ( 4.498 5.507 -12.825) 14.664 20.200 ( 5.626 -4.640 11.975) 14.020 ======================= Grid point 460 (165/670) ======================= q-point: (-0.11 0.21 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.364 ( -15.919 4.206 1.839) 16.567 2.741 ( 0.998 -0.693 -6.394) 6.508 3.281 ( -23.115 -1.327 19.663) 30.376 5.206 ( -29.213 -1.568 -2.454) 29.358 7.117 ( -51.650 1.237 -4.181) 51.834 8.772 ( 14.050 -2.020 -1.008) 14.231 14.144 ( 6.693 0.238 3.617) 7.611 15.317 ( -10.722 0.914 1.058) 10.812 16.281 ( 15.663 -1.911 -1.610) 15.861 17.321 ( 19.720 1.125 -2.931) 19.968 19.653 ( 2.383 3.953 -8.755) 9.897 20.299 ( 6.954 -3.786 8.297) 11.469 ======================= Grid point 461 (166/670) ======================= q-point: (-0.05 0.21 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( -21.056 10.252 11.680) 26.170 2.624 ( -13.989 2.629 -8.897) 16.786 3.035 ( -11.091 -3.554 25.835) 28.339 4.743 ( -21.846 -0.136 -6.194) 22.708 6.243 ( -52.974 7.909 -3.003) 53.645 8.964 ( 12.408 -3.009 -5.944) 14.083 14.264 ( 5.019 1.095 5.037) 7.194 15.135 ( -11.455 0.261 2.584) 11.745 16.536 ( 17.560 -3.449 -4.388) 18.426 17.639 ( 18.312 -1.131 -4.113) 18.802 19.687 ( 0.485 2.709 -5.776) 6.398 20.409 ( 7.367 -3.476 6.012) 10.124 ======================= Grid point 467 (167/670) ======================= q-point: ( 0.26 0.26 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.195 ( -0.000 4.501 14.060) 14.763 2.382 ( -0.000 20.365 6.585) 21.403 3.715 ( -0.000 9.865 32.220) 33.697 4.596 ( 0.000 19.638 -7.512) 21.026 5.646 ( 0.000 53.536 -5.441) 53.812 8.918 ( 0.000 -2.820 -14.213) 14.490 14.441 ( -0.000 -1.899 9.499) 9.687 15.156 ( -0.000 5.762 7.326) 9.321 16.680 ( 0.000 -13.534 -5.854) 14.746 17.403 ( 0.000 -15.727 -15.611) 22.159 19.386 ( 0.000 -8.629 -7.520) 11.446 20.781 ( -0.000 -0.998 8.851) 8.907 ======================= Grid point 468 (168/670) ======================= q-point: ( 0.32 0.26 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.251 ( 1.373 -2.211 6.289) 6.806 2.618 ( 3.799 14.736 7.122) 16.801 3.951 ( 1.740 14.112 33.042) 35.971 4.816 ( 3.555 24.717 -6.813) 25.884 6.245 ( 10.208 50.442 -6.571) 51.883 8.839 ( -2.534 -0.389 -11.055) 11.348 14.445 ( -1.289 -1.967 10.641) 10.898 15.237 ( 2.427 2.114 5.911) 6.731 16.488 ( -5.712 -10.255 -5.419) 12.929 17.196 ( 0.278 -17.538 -13.583) 22.184 19.270 ( 0.647 -10.638 -9.141) 14.041 20.782 ( -2.599 0.065 9.247) 9.605 ======================= Grid point 469 (169/670) ======================= q-point: ( 0.37 0.26 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( 1.743 -6.755 -1.365) 7.108 2.827 ( 4.305 7.586 8.720) 12.334 4.252 ( 3.645 17.080 31.099) 35.667 5.184 ( 9.706 29.875 -4.056) 31.672 6.893 ( 13.878 40.619 -11.476) 44.432 8.775 ( -3.520 4.755 -4.868) 7.662 14.407 ( -3.947 -4.543 11.339) 12.837 15.318 ( 5.273 -1.913 3.409) 6.564 16.277 ( -8.078 -4.234 -3.646) 9.822 16.977 ( -0.967 -17.719 -11.271) 21.023 19.143 ( 1.270 -11.721 -11.018) 16.137 20.751 ( -4.864 0.595 9.819) 10.973 ======================= Grid point 470 (170/670) ======================= q-point: ( 0.42 0.26 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.181 ( 1.984 -8.107 -6.671) 10.685 2.960 ( 2.832 1.109 8.937) 9.440 4.609 ( 6.756 18.271 28.512) 34.531 5.702 ( 14.916 32.744 -1.687) 36.021 7.366 ( 8.133 21.826 -19.261) 30.225 8.836 ( 0.801 15.410 4.278) 16.012 14.277 ( -6.775 -9.910 10.097) 15.686 15.405 ( 7.424 -3.683 1.267) 8.383 16.121 ( -7.752 1.431 -0.476) 7.897 16.747 ( -3.034 -14.923 -9.158) 17.770 19.018 ( 2.064 -11.549 -12.911) 17.445 20.689 ( -6.678 0.450 10.514) 12.464 ======================= Grid point 471 (171/670) ======================= q-point: ( 0.47 0.26 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( 2.372 -6.960 -9.767) 12.226 3.005 ( 1.003 -3.536 7.894) 8.708 5.022 ( 10.608 17.440 26.323) 33.310 6.307 ( 16.882 33.216 -0.379) 37.262 7.459 ( -3.457 4.645 -22.001) 22.750 9.132 ( 8.005 21.210 8.460) 24.197 14.052 ( -7.683 -14.976 7.221) 18.315 15.506 ( 7.083 -2.073 0.570) 7.402 16.025 ( -6.057 1.738 1.585) 6.498 16.536 ( -4.853 -7.898 -6.518) 11.332 18.912 ( 3.290 -9.986 -14.569) 17.967 20.597 ( -7.904 -0.355 11.267) 13.767 ======================= Grid point 472 (172/670) ======================= q-point: ( 0.53 0.26 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.072 ( 2.777 -3.982 -11.300) 12.298 2.983 ( 0.025 -6.706 6.599) 9.408 5.474 ( 14.138 14.924 23.524) 31.241 6.878 ( 9.332 26.619 1.852) 28.268 7.303 ( -5.847 3.934 -20.576) 21.750 9.495 ( 9.416 13.349 7.545) 17.994 13.786 ( -6.101 -17.206 4.302) 18.755 15.598 ( 3.678 1.095 0.141) 3.840 15.943 ( -3.831 -1.816 0.671) 4.292 16.400 ( -5.399 1.137 -2.153) 5.922 18.850 ( 5.069 -7.138 -15.733) 18.005 20.483 ( -8.374 -1.675 12.009) 14.736 ======================= Grid point 473 (173/670) ======================= q-point: ( 0.58 0.26 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( 3.050 0.122 -11.715) 12.106 2.924 ( 0.204 -8.985 5.467) 10.519 5.939 ( 16.716 11.342 19.517) 28.089 6.814 ( -18.138 -3.107 -7.122) 19.733 7.562 ( 9.599 30.236 -6.606) 32.403 9.729 ( 7.428 -0.172 6.041) 9.576 13.549 ( -2.562 -16.672 1.992) 16.985 15.641 ( -1.432 3.871 -2.003) 4.587 15.878 ( -1.558 -1.073 -0.062) 1.893 16.350 ( -4.508 4.931 2.161) 7.022 18.852 ( 7.121 -3.372 -16.232) 18.044 20.356 ( -7.901 -3.253 12.684) 15.294 ======================= Grid point 474 (174/670) ======================= q-point: ( 0.63 0.26 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( 3.151 4.368 -11.336) 12.551 2.854 ( 1.317 -10.524 4.573) 11.550 6.305 ( -5.875 -1.868 0.163) 6.167 6.466 ( 0.293 4.073 9.331) 10.185 7.927 ( -1.348 28.706 -3.053) 28.899 9.790 ( 5.390 -11.959 4.551) 13.885 13.394 ( 2.149 -14.130 0.387) 14.298 15.628 ( -4.031 6.444 -4.947) 9.069 15.868 ( -0.636 1.802 0.827) 2.082 16.339 ( -3.505 4.048 4.470) 6.975 18.926 ( 8.731 0.649 -16.136) 18.358 20.232 ( -6.359 -4.783 13.240) 15.447 ======================= Grid point 475 (175/670) ======================= q-point: (-0.32 0.26 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( 3.184 7.618 -10.476) 13.338 2.794 ( 2.740 -11.072 3.969) 12.077 5.849 ( -26.836 -6.039 -3.258) 27.699 6.817 ( 15.734 5.171 11.025) 19.896 8.033 ( -14.136 20.940 -1.076) 25.288 9.727 ( 2.151 -15.784 3.169) 16.242 13.351 ( 7.118 -10.306 -0.383) 12.531 15.614 ( -4.166 8.811 -6.499) 11.715 15.888 ( 0.412 1.633 1.720) 2.407 16.334 ( -2.404 2.529 4.854) 5.978 19.057 ( 9.245 4.125 -15.739) 18.714 20.132 ( -3.840 -5.996 13.608) 15.358 ======================= Grid point 476 (176/670) ======================= q-point: (-0.26 0.26 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.296 ( 3.357 8.950 -9.495) 13.473 2.755 ( 3.506 -10.165 3.824) 11.413 5.303 ( -29.699 -4.744 0.511) 30.080 7.068 ( 2.133 3.187 5.500) 6.705 7.921 ( -11.810 9.497 -0.091) 15.155 9.560 ( -7.313 -11.973 2.566) 14.263 13.429 ( 11.248 -6.126 -0.139) 12.809 15.619 ( -3.554 9.759 -7.289) 12.688 15.916 ( 1.487 -1.885 3.844) 4.532 16.352 ( 1.091 2.320 3.105) 4.026 19.217 ( 8.616 6.442 -15.219) 18.637 20.071 ( -0.768 -6.722 13.648) 15.233 ======================= Grid point 477 (177/670) ======================= q-point: (-0.21 0.26 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.415 ( 3.759 8.117 -8.872) 12.599 2.734 ( 2.593 -7.476 4.524) 9.115 4.750 ( -30.933 -2.693 4.720) 31.407 6.884 ( -25.631 1.221 1.386) 25.697 7.957 ( 9.507 1.599 -2.368) 9.927 9.234 ( -21.366 -6.301 3.417) 22.536 13.602 ( 13.182 -2.520 1.055) 13.462 15.636 ( -3.172 9.231 -7.414) 12.258 15.913 ( 1.043 -5.948 6.289) 8.719 16.461 ( 8.595 2.218 0.220) 8.879 19.377 ( 7.245 7.339 -14.341) 17.664 20.058 ( 2.248 -6.888 13.072) 14.946 ======================= Grid point 478 (178/670) ======================= q-point: (-0.16 0.26 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.524 ( 3.800 6.105 -9.306) 11.760 2.718 ( -0.364 -3.355 6.730) 7.529 4.229 ( -30.331 -0.427 9.857) 31.896 6.348 ( -34.374 -1.045 -0.698) 34.396 8.158 ( 11.925 0.013 -11.520) 16.581 8.741 ( -31.382 -2.037 8.765) 32.646 13.819 ( 12.275 0.175 2.793) 12.591 15.619 ( -6.107 5.177 -3.331) 8.671 15.910 ( 5.038 -5.418 2.802) 7.911 16.684 ( 15.479 0.542 -1.284) 15.541 19.516 ( 5.467 6.904 -12.653) 15.416 20.090 ( 4.779 -6.542 11.565) 14.121 ======================= Grid point 479 (179/670) ======================= q-point: (-0.11 0.26 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.594 ( -0.142 6.458 -10.418) 12.258 2.699 ( -2.420 -0.180 9.901) 10.194 3.773 ( -27.655 0.955 16.709) 32.325 5.735 ( -34.035 -0.891 -3.211) 34.198 7.948 ( -38.750 6.837 -12.366) 41.245 8.512 ( 9.186 -4.829 5.708) 11.844 14.029 ( 9.387 1.914 4.605) 10.630 15.506 ( -9.499 0.546 2.058) 9.735 16.010 ( 11.367 -3.526 -3.317) 12.355 16.975 ( 19.074 -1.585 -1.962) 19.240 19.620 ( 3.460 5.584 -10.209) 12.140 20.160 ( 6.663 -5.932 9.351) 12.924 ======================= Grid point 480 (180/670) ======================= q-point: (-0.05 0.26 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.562 ( -10.416 10.758 -3.851) 15.462 2.705 ( -1.237 1.710 5.468) 5.861 3.407 ( -23.084 0.053 25.782) 34.606 5.172 ( -29.364 1.365 -6.809) 30.174 7.227 ( -49.970 12.476 -5.694) 51.817 8.679 ( 13.639 -5.317 -4.516) 15.319 14.202 ( 6.263 2.401 6.205) 9.137 15.339 ( -10.734 -0.158 3.951) 11.440 16.190 ( 15.510 -4.682 -6.299) 17.382 17.278 ( 19.598 -3.659 -2.898) 20.146 19.681 ( 1.517 3.982 -7.933) 9.005 20.255 ( 7.764 -5.390 7.480) 12.053 ======================= Grid point 487 (181/670) ======================= q-point: ( 0.32 0.32 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.207 ( -0.000 -7.011 2.024) 7.297 2.747 ( -0.000 12.331 6.366) 13.878 4.200 ( -0.000 17.514 34.125) 38.357 5.012 ( 0.000 26.721 -7.477) 27.748 6.635 ( 0.000 48.172 -7.691) 48.782 8.844 ( 0.000 3.580 -8.016) 8.779 14.482 ( -0.000 -0.432 11.086) 11.094 15.221 ( -0.000 -4.245 4.450) 6.150 16.441 ( 0.000 -5.954 -3.965) 7.154 16.966 ( 0.000 -19.301 -12.955) 23.246 19.120 ( 0.000 -12.457 -9.435) 15.627 20.838 ( -0.000 0.918 8.860) 8.908 ======================= Grid point 488 (182/670) ======================= q-point: ( 0.37 0.32 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( 0.827 -10.059 -1.953) 10.280 2.883 ( 1.371 7.878 6.350) 10.211 4.494 ( 0.884 19.092 32.140) 37.393 5.321 ( 6.252 29.411 -5.845) 30.631 7.096 ( 5.117 38.731 -11.898) 40.839 8.878 ( -1.394 10.458 -2.596) 10.865 14.481 ( -3.951 -1.687 11.427) 12.208 15.193 ( 3.950 -9.008 2.178) 10.075 16.353 ( -4.938 -0.956 -2.399) 5.572 16.749 ( 1.748 -19.288 -11.128) 22.336 18.968 ( 0.780 -13.324 -10.014) 16.686 20.854 ( -2.607 1.330 8.584) 9.069 ======================= Grid point 489 (183/670) ======================= q-point: ( 0.42 0.32 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.034 ( 1.862 -10.897 -5.110) 12.179 2.977 ( 0.757 3.178 6.414) 7.198 4.807 ( 2.535 19.203 28.335) 34.322 5.770 ( 12.601 30.776 -3.446) 33.433 7.437 ( 3.064 22.355 -17.211) 28.378 9.018 ( 0.155 20.322 3.912) 20.695 14.356 ( -9.066 -7.897 9.672) 15.431 15.221 ( 8.388 -7.288 1.689) 11.240 16.238 ( -6.138 -2.051 -2.061) 6.792 16.587 ( 1.653 -12.684 -7.735) 14.948 18.826 ( 1.757 -12.951 -10.732) 16.911 20.828 ( -5.021 1.174 8.416) 9.870 ======================= Grid point 490 (184/670) ======================= q-point: ( 0.47 0.32 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.954 ( 3.301 -9.767 -7.332) 12.651 3.008 ( -0.883 -0.677 6.069) 6.170 5.141 ( 5.435 17.764 25.040) 31.179 6.325 ( 17.109 30.653 -2.309) 35.180 7.520 ( -3.760 8.006 -18.727) 20.711 9.293 ( 2.718 24.230 6.912) 25.343 14.094 ( -11.117 -13.509 6.554) 18.682 15.338 ( 9.931 -3.175 2.982) 10.845 16.092 ( -4.181 -7.096 -3.270) 8.862 16.506 ( -0.612 -2.461 -3.587) 4.393 18.711 ( 3.055 -11.231 -11.378) 16.277 20.758 ( -7.046 0.447 8.327) 10.917 ======================= Grid point 491 (185/670) ======================= q-point: ( 0.53 0.32 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( 4.954 -6.963 -8.691) 12.188 2.975 ( -2.456 -3.523 5.518) 6.992 5.498 ( 8.706 14.725 21.759) 27.678 6.927 ( 17.645 29.026 -0.535) 33.973 7.390 ( -8.661 1.971 -18.015) 20.085 9.573 ( 2.035 17.125 6.767) 18.525 13.778 ( -10.209 -15.342 3.987) 18.855 15.495 ( 8.698 -0.632 3.769) 9.500 15.953 ( -2.102 -6.860 -3.932) 8.182 16.480 ( -2.354 3.007 -0.766) 3.894 18.644 ( 4.829 -8.328 -11.692) 15.145 20.648 ( -8.465 -0.728 8.265) 11.853 ======================= Grid point 492 (186/670) ======================= q-point: ( 0.58 0.32 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.936 ( 6.383 -2.889 -9.281) 11.629 2.895 ( -3.239 -5.683 5.025) 8.249 5.862 ( 11.787 10.564 17.655) 23.711 7.070 ( -15.948 -0.180 -6.794) 17.335 7.586 ( 18.433 27.851 -8.072) 34.360 9.710 ( -1.046 3.912 6.090) 7.313 13.485 ( -7.266 -14.370 2.124) 16.242 15.627 ( 5.089 0.466 2.053) 5.507 15.875 ( -0.062 -2.421 -2.522) 3.497 16.470 ( -3.313 4.433 0.902) 5.607 18.645 ( 7.088 -4.638 -11.437) 14.232 20.508 ( -9.038 -2.123 8.172) 12.369 ======================= Grid point 493 (187/670) ======================= q-point: ( 0.63 0.32 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.018 ( 7.065 1.829 -9.263) 11.793 2.791 ( -2.861 -7.473 4.735) 9.298 6.210 ( 13.119 5.538 11.749) 18.462 6.722 ( -19.575 -1.651 -4.071) 20.062 8.125 ( 11.818 29.166 -5.549) 31.954 9.656 ( -2.759 -10.430 5.557) 12.135 13.272 ( -2.769 -11.596 0.836) 11.951 15.688 ( 0.977 2.473 -2.528) 3.669 15.880 ( 1.050 0.653 1.177) 1.707 16.454 ( -3.873 3.718 1.967) 5.718 18.726 ( 9.342 -0.725 -10.602) 14.149 20.353 ( -8.535 -3.486 8.006) 12.210 ======================= Grid point 494 (188/670) ======================= q-point: (-0.32 0.32 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( 6.551 6.509 -8.944) 12.856 2.687 ( -1.140 -9.075 4.795) 10.327 6.218 ( -20.647 -2.573 -2.813) 20.996 6.627 ( 12.275 2.545 8.886) 15.366 8.461 ( -6.269 27.240 -4.439) 28.302 9.502 ( 2.882 -19.479 4.789) 20.265 13.175 ( 2.653 -7.720 0.164) 8.165 15.712 ( -0.972 5.171 -4.904) 7.192 15.904 ( 0.062 0.345 2.633) 2.656 16.423 ( -3.805 1.968 2.543) 4.982 18.879 ( 10.644 2.764 -9.563) 14.573 20.204 ( -6.825 -4.639 7.784) 11.345 ======================= Grid point 495 (189/670) ======================= q-point: (-0.26 0.32 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.305 ( 4.398 10.351 -8.834) 14.301 2.612 ( 2.079 -10.216 5.536) 11.804 5.764 ( -27.316 -1.501 0.455) 27.361 6.914 ( 15.140 -0.587 4.456) 15.793 8.367 ( -24.059 12.068 -2.829) 27.064 9.458 ( 6.682 -10.908 3.055) 13.152 13.213 ( 7.995 -3.493 0.250) 8.728 15.729 ( -1.898 6.448 -5.636) 8.772 15.902 ( -0.509 -1.896 3.214) 3.766 16.386 ( -2.287 0.217 2.328) 3.271 19.074 ( 10.393 5.354 -8.863) 14.671 20.082 ( -4.024 -5.560 7.635) 10.267 ======================= Grid point 496 (190/670) ======================= q-point: (-0.21 0.32 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.425 ( 1.277 7.978 -8.099) 11.440 2.612 ( 5.728 -5.639 5.999) 10.030 5.275 ( -29.643 0.444 4.507) 29.987 7.094 ( 3.351 -2.667 0.685) 4.337 8.009 ( -17.709 -0.129 -3.794) 18.112 9.437 ( -5.383 -1.010 2.583) 6.055 13.373 ( 11.969 0.241 1.177) 12.029 15.741 ( -2.117 6.740 -6.003) 9.271 15.868 ( -0.596 -5.569 4.541) 7.210 16.380 ( 2.006 -1.080 1.014) 2.494 19.275 ( 8.797 6.911 -8.825) 14.249 20.007 ( -0.573 -6.333 7.781) 10.049 ======================= Grid point 497 (191/670) ======================= q-point: (-0.16 0.32 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.469 ( 2.854 -0.190 -5.218) 5.951 2.715 ( 3.643 4.455 4.554) 7.339 4.794 ( -30.482 2.703 9.203) 31.956 6.862 ( -25.188 -3.499 -0.876) 25.445 7.897 ( 8.535 -4.300 -8.710) 12.931 9.238 ( -20.936 4.476 3.693) 21.725 13.619 ( 13.433 2.977 2.785) 14.038 15.742 ( -3.717 3.377 -1.551) 5.256 15.809 ( 0.873 -5.819 0.945) 5.960 16.456 ( 9.187 -2.669 -0.503) 9.580 19.451 ( 6.510 7.454 -9.427) 13.668 19.986 ( 2.853 -6.965 8.373) 11.259 ======================= Grid point 498 (192/670) ======================= q-point: (-0.11 0.32 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.504 ( 4.783 -2.504 -5.517) 7.719 2.829 ( -0.273 8.847 6.317) 10.874 4.347 ( -29.950 4.657 15.134) 33.879 6.300 ( -33.357 -2.350 -2.835) 33.560 8.030 ( 13.306 -4.292 -16.285) 21.463 8.850 ( -31.935 7.742 7.609) 33.730 13.891 ( 11.988 4.636 4.711) 13.690 15.644 ( -6.048 -5.291 7.040) 10.683 15.825 ( 4.537 0.031 -8.007) 9.203 16.635 ( 15.874 -4.594 -1.381) 16.583 19.584 ( 4.177 6.947 -10.276) 13.089 20.017 ( 5.620 -7.246 9.231) 13.011 ======================= Grid point 499 (193/670) ======================= q-point: (-0.05 0.32 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.543 ( 4.629 -2.310 -8.389) 9.856 2.918 ( -3.778 11.222 10.145) 15.592 3.957 ( -28.275 5.530 23.134) 36.949 5.706 ( -32.597 1.232 -5.793) 33.131 8.011 ( -17.583 7.169 -23.344) 30.091 8.490 ( -10.111 0.512 11.496) 15.318 14.133 ( 8.304 4.848 6.574) 11.648 15.501 ( -7.261 -4.462 7.779) 11.539 15.903 ( 9.187 -2.532 -9.716) 13.609 16.883 ( 19.362 -6.324 -2.240) 20.491 19.667 ( 2.162 5.404 -10.801) 12.269 20.089 ( 7.420 -6.942 9.890) 14.180 ======================= Grid point 507 (194/670) ======================= q-point: ( 0.37 0.37 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( 0.000 -12.021 -3.309) 12.468 2.961 ( -0.000 6.103 5.254) 8.053 4.780 ( -0.000 19.230 31.349) 36.777 5.536 ( 0.000 29.635 -6.425) 30.323 7.367 ( 0.000 30.586 -14.307) 33.767 9.028 ( -0.000 18.506 1.056) 18.536 14.560 ( -0.000 1.027 11.922) 11.967 15.032 ( -0.000 -15.192 0.474) 15.199 16.412 ( 0.000 3.501 -0.855) 3.604 16.484 ( 0.000 -21.589 -10.839) 24.157 18.795 ( 0.000 -13.988 -9.272) 16.782 20.917 ( -0.000 1.689 7.517) 7.705 ======================= Grid point 508 (195/670) ======================= q-point: ( 0.42 0.37 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( 1.114 -12.345 -4.485) 13.181 3.025 ( -0.156 3.437 4.794) 5.901 5.060 ( 0.287 18.177 27.605) 33.053 5.876 ( 7.561 29.070 -4.949) 30.442 7.570 ( -0.076 18.667 -16.468) 24.893 9.259 ( 0.029 26.158 4.274) 26.505 14.491 ( -10.731 -5.253 9.217) 15.090 14.981 ( 9.902 -10.576 2.102) 14.639 16.212 ( -2.448 -18.166 -8.400) 20.163 16.473 ( 1.600 2.438 -1.364) 3.219 18.639 ( 1.116 -13.432 -8.739) 16.064 20.932 ( -2.740 1.576 6.604) 7.321 ======================= Grid point 509 (196/670) ======================= q-point: ( 0.47 0.37 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( 2.780 -11.076 -5.227) 12.559 3.048 ( -1.450 0.813 4.420) 4.723 5.327 ( 1.862 16.157 23.257) 28.379 6.330 ( 14.053 27.271 -3.734) 30.905 7.621 ( -3.952 9.014 -16.073) 18.847 9.548 ( -0.093 27.250 5.253) 27.751 14.202 ( -13.774 -11.905 5.398) 18.989 15.125 ( 12.172 -3.733 5.101) 13.715 15.990 ( -0.112 -16.540 -7.568) 18.189 16.515 ( -0.147 4.062 -0.569) 4.104 18.519 ( 2.549 -11.514 -8.278) 14.409 20.895 ( -5.361 0.975 5.805) 7.961 ======================= Grid point 510 (197/670) ======================= q-point: ( 0.53 0.37 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( 4.983 -8.367 -5.480) 11.175 3.018 ( -3.217 -1.296 3.945) 5.253 5.590 ( 4.343 12.788 19.139) 23.424 6.864 ( 19.038 24.890 -3.287) 31.509 7.524 ( -8.840 3.685 -13.833) 16.825 9.786 ( -2.519 20.251 4.782) 20.960 13.853 ( -13.408 -12.902 3.388) 18.913 15.324 ( 11.422 -1.567 6.114) 13.050 15.844 ( 2.135 -11.425 -6.567) 13.349 16.543 ( -1.180 4.167 -0.182) 4.335 18.452 ( 4.257 -8.436 -7.658) 12.163 20.805 ( -7.585 -0.009 5.059) 9.117 ======================= Grid point 511 (198/670) ======================= q-point: ( 0.58 0.37 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.753 ( 7.366 -4.591 -5.224) 10.130 2.939 ( -4.788 -2.815 3.379) 6.501 5.846 ( 7.151 8.326 14.645) 18.301 7.310 ( -13.494 1.827 -6.877) 15.256 7.452 ( 22.282 21.779 -6.823) 31.896 9.865 ( -7.053 8.672 4.078) 11.898 13.525 ( -11.353 -11.271 1.982) 16.120 15.505 ( 9.152 -1.621 4.676) 10.405 15.801 ( 3.796 -4.292 -4.233) 7.123 16.555 ( -1.906 3.567 0.016) 4.044 18.454 ( 6.303 -4.718 -6.622) 10.288 20.669 ( -9.125 -1.167 4.287) 10.149 ======================= Grid point 512 (199/670) ======================= q-point: ( 0.63 0.37 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( 9.324 -0.413 -4.484) 10.355 2.824 ( -5.673 -3.833 2.738) 7.374 6.090 ( 9.952 3.507 9.597) 14.263 7.023 ( -17.762 0.300 -5.774) 18.679 8.046 ( 23.269 20.351 -3.845) 31.151 9.738 ( -12.104 -3.289 3.508) 13.024 13.267 ( -7.698 -8.204 0.914) 11.287 15.631 ( 6.086 -0.612 0.345) 6.126 15.846 ( 3.731 -0.001 0.111) 3.732 16.547 ( -2.749 2.501 0.135) 3.719 18.536 ( 8.657 -0.970 -5.060) 10.074 20.501 ( -9.710 -2.261 3.413) 10.538 ======================= Grid point 513 (200/670) ======================= q-point: ( 0.68 0.37 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.031 ( 10.321 3.436 -3.322) 11.374 2.692 ( -5.577 -4.420 1.987) 7.389 6.303 ( 9.028 -0.505 3.719) 9.777 6.696 ( -17.346 0.093 -1.469) 17.408 8.608 ( 19.164 20.319 -3.310) 28.126 9.421 ( -15.290 -14.020 3.252) 20.998 13.116 ( -2.642 -4.270 0.271) 5.029 15.714 ( 3.437 1.771 -2.469) 4.588 15.900 ( 1.612 -0.147 2.453) 2.939 16.509 ( -3.720 0.894 0.250) 3.834 18.698 ( 10.694 2.258 -3.238) 11.399 20.319 ( -9.130 -3.125 2.414) 9.947 ======================= Grid point 514 (201/670) ======================= q-point: (-0.26 0.37 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.250 ( 10.153 6.342 -1.679) 12.088 2.565 ( -4.437 -4.505 0.958) 6.395 6.197 ( -21.369 1.366 0.227) 21.414 6.643 ( 12.461 -4.104 0.991) 13.157 8.888 ( -24.540 8.421 -3.445) 26.172 9.151 ( 18.276 -8.509 3.383) 20.441 13.098 ( 3.097 -0.059 0.209) 3.104 15.768 ( 1.206 2.868 -3.085) 4.381 15.905 ( -0.771 -1.922 2.651) 3.365 16.441 ( -3.901 -1.105 0.354) 4.070 18.917 ( 11.440 4.583 -1.731) 12.445 20.148 ( -7.312 -3.775 1.410) 8.349 ======================= Grid point 515 (202/670) ======================= q-point: (-0.21 0.37 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.460 ( 0.890 -8.473 5.137) 9.949 2.488 ( 5.622 12.433 -5.120) 14.574 5.798 ( -27.171 3.477 4.057) 27.692 6.846 ( 15.859 -6.585 -2.756) 17.392 8.375 ( -26.164 -10.236 -2.056) 28.170 9.440 ( 8.118 8.110 1.200) 11.537 13.219 ( 8.354 3.707 0.847) 9.179 15.795 ( -0.087 2.151 -1.916) 2.882 15.854 ( -2.318 -3.950 1.533) 4.830 16.366 ( -2.211 -3.031 0.156) 3.755 19.157 ( 10.501 6.001 -1.110) 12.145 20.009 ( -4.397 -4.432 0.806) 6.294 ======================= Grid point 516 (203/670) ======================= q-point: (-0.16 0.37 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.401 ( 0.829 -5.182 -0.429) 5.265 2.712 ( 6.176 10.507 1.218) 12.248 5.377 ( -29.139 5.805 8.441) 30.887 6.979 ( 5.781 -7.414 -4.026) 10.227 7.862 ( -16.428 -10.963 -6.042) 20.654 9.554 ( -6.396 10.424 1.883) 12.374 13.452 ( 11.901 6.468 2.173) 13.718 15.748 ( -2.373 -9.284 5.468) 11.033 15.816 ( -0.696 4.079 -5.433) 6.829 16.321 ( 2.044 -4.878 -0.568) 5.319 19.378 ( 8.173 6.872 -2.175) 10.897 19.919 ( -0.709 -5.460 1.601) 5.734 ======================= Grid point 517 (204/670) ======================= q-point: (-0.11 0.37 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.384 ( 3.325 -4.566 -2.385) 6.131 2.909 ( 3.620 10.544 3.772) 11.769 4.973 ( -29.859 8.253 13.778) 33.904 6.753 ( -22.012 -5.872 -2.222) 22.890 7.684 ( 10.117 -9.869 -13.752) 19.720 9.438 ( -21.085 12.630 3.172) 24.782 13.751 ( 12.849 8.086 3.971) 15.692 15.617 ( -1.957 -12.544 5.978) 14.033 15.830 ( -1.083 4.777 -6.015) 7.757 16.352 ( 9.201 -7.081 -1.346) 11.688 19.551 ( 4.973 7.524 -6.728) 11.252 19.890 ( 3.317 -7.038 5.862) 9.742 ======================= Grid point 518 (205/670) ======================= q-point: (-0.05 0.37 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.404 ( 4.936 -3.923 -4.829) 7.942 3.066 ( 1.052 9.780 6.220) 11.638 4.607 ( -29.666 10.407 20.735) 37.660 6.239 ( -29.854 -1.141 -3.937) 30.134 7.788 ( 15.910 -8.669 -19.448) 26.580 9.124 ( -31.977 14.931 5.739) 35.755 14.055 ( 10.586 8.307 5.982) 14.726 15.485 ( 0.034 -13.795 7.090) 15.511 15.830 ( -1.556 4.390 -7.907) 9.176 16.489 ( 16.313 -8.828 -2.139) 18.671 19.650 ( 2.147 6.690 -14.170) 15.816 19.932 ( 6.469 -7.664 13.127) 16.519 ======================= Grid point 527 (206/670) ======================= q-point: ( 0.42 0.42 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( 0.000 -12.327 -4.050) 12.975 3.071 ( -0.000 2.499 3.911) 4.642 5.310 ( -0.000 15.731 24.752) 29.328 6.071 ( 0.000 27.044 -4.945) 27.493 7.682 ( 0.000 13.039 -15.742) 20.441 9.554 ( -0.000 29.786 4.345) 30.102 14.669 ( -0.000 2.381 12.165) 12.396 14.692 ( 0.000 -17.474 -0.844) 17.494 15.985 ( 0.000 -22.075 -9.605) 24.074 16.515 ( -0.000 6.065 0.029) 6.065 18.473 ( 0.000 -12.758 -6.968) 14.537 20.990 ( -0.000 1.567 5.037) 5.275 ======================= Grid point 528 (207/670) ======================= q-point: ( 0.47 0.42 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( 1.611 -10.848 -3.421) 11.488 3.093 ( -1.067 1.082 3.354) 3.682 5.523 ( 0.329 12.807 20.167) 23.892 6.379 ( 7.867 23.740 -4.007) 25.328 7.719 ( -2.675 8.118 -14.067) 16.461 9.852 ( -1.074 28.155 3.695) 28.417 14.347 ( -14.184 -11.781 3.014) 18.683 14.896 ( 12.784 -1.414 8.325) 15.321 15.758 ( 1.988 -19.937 -9.044) 21.982 16.570 ( -0.422 5.376 -0.235) 5.398 18.350 ( 1.609 -10.735 -5.381) 12.115 20.992 ( -2.942 1.129 3.655) 4.826 ======================= Grid point 529 (208/670) ======================= q-point: ( 0.53 0.42 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( 3.813 -8.025 -2.494) 9.229 3.074 ( -2.742 -0.275 2.818) 3.941 5.704 ( 1.708 9.134 15.347) 17.941 6.778 ( 14.763 19.563 -3.576) 24.768 7.663 ( -6.641 4.849 -11.361) 14.025 10.066 ( -4.244 20.805 2.640) 21.397 13.994 ( -14.882 -10.375 2.500) 18.313 15.126 ( 12.022 -1.069 8.272) 14.632 15.625 ( 5.664 -13.866 -7.959) 16.961 16.603 ( -1.047 4.054 -0.573) 4.226 18.288 ( 3.472 -7.518 -3.829) 9.123 20.934 ( -5.764 0.354 2.374) 6.244 ======================= Grid point 530 (209/670) ======================= q-point: ( 0.58 0.42 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( 6.428 -4.295 -1.279) 7.836 3.011 ( -4.583 -1.261 2.135) 5.211 5.859 ( 3.757 4.568 10.426) 11.986 7.242 ( 20.372 14.835 -4.733) 25.642 7.522 ( -10.616 3.163 -6.630) 12.909 10.115 ( -9.051 10.368 1.561) 13.851 13.658 ( -14.169 -7.780 1.656) 16.249 15.325 ( 10.666 -2.824 5.697) 12.418 15.636 ( 8.332 -4.875 -4.507) 10.654 16.612 ( -1.411 2.592 -0.910) 3.088 18.298 ( 5.355 -3.728 -2.076) 6.847 20.818 ( -8.118 -0.564 1.096) 8.211 ======================= Grid point 531 (210/670) ======================= q-point: ( 0.63 0.42 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( 8.967 -0.462 0.181) 8.981 2.908 ( -6.132 -1.720 1.182) 6.478 5.991 ( 6.419 -0.272 5.442) 8.420 7.294 ( -14.296 2.245 -7.657) 16.372 7.764 ( 24.533 9.781 0.549) 26.417 9.973 ( -14.187 1.225 0.429) 14.247 13.375 ( -11.773 -4.421 0.712) 12.596 15.482 ( 9.576 -2.187 1.313) 9.910 15.751 ( 7.338 0.031 0.273) 7.343 16.600 ( -1.751 1.193 -1.248) 2.459 18.385 ( 7.337 -0.092 0.054) 7.338 20.656 ( -9.687 -1.394 -0.285) 9.791 ======================= Grid point 532 (211/670) ======================= q-point: (-0.32 -0.58 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( 10.848 2.565 1.968) 11.320 2.779 ( -7.000 -1.463 -0.240) 7.155 6.113 ( 9.614 -4.427 0.855) 10.619 7.017 ( -18.071 2.117 -3.706) 18.568 8.281 ( 27.228 2.543 1.677) 27.397 9.675 ( -18.874 -2.250 -1.318) 19.053 13.182 ( -7.700 -0.454 -0.008) 7.714 15.620 ( 7.600 -0.136 -0.862) 7.650 15.858 ( 4.081 0.152 2.382) 4.728 16.564 ( -2.625 -0.332 -1.525) 3.054 18.547 ( 9.413 2.867 2.442) 10.139 20.463 ( -10.223 -1.961 -1.843) 10.572 ======================= Grid point 533 (212/670) ======================= q-point: (-0.26 -0.58 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.108 ( 11.518 3.544 4.667) 12.923 2.647 ( -6.791 0.292 -2.736) 7.327 6.241 ( 11.688 -6.554 -2.616) 13.654 6.703 ( -19.531 1.998 -0.785) 19.648 8.690 ( 21.447 -15.965 5.273) 27.252 9.342 ( -17.854 9.865 -5.024) 21.008 13.110 ( -2.375 3.717 -0.285) 4.420 15.727 ( 4.747 0.526 -1.008) 4.881 15.899 ( 0.501 -1.361 2.297) 2.717 16.491 ( -3.835 -2.155 -1.585) 4.676 18.774 ( 10.928 4.822 4.635) 12.812 20.262 ( -9.592 -2.247 -3.567) 10.478 ======================= Grid point 534 (213/670) ======================= q-point: (-0.21 0.42 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( 7.912 -2.691 9.529) 12.675 2.571 ( -2.487 8.432 -7.516) 11.567 6.266 ( -15.019 3.714 2.177) 15.624 6.492 ( 7.782 -8.370 -5.135) 12.529 8.530 ( -10.276 -27.208 2.617) 29.201 9.426 ( 6.130 18.945 -2.869) 20.118 13.174 ( 3.305 7.450 0.007) 8.150 15.781 ( 1.663 -1.332 1.329) 2.511 15.867 ( -2.081 -2.330 -0.210) 3.131 16.385 ( -4.093 -3.995 -1.419) 5.893 19.035 ( 11.086 5.721 6.185) 13.924 20.074 ( -7.799 -2.427 -5.251) 9.711 ======================= Grid point 535 (214/670) ======================= q-point: (-0.16 0.42 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.339 ( 0.110 -6.558 4.178) 7.776 2.723 ( 5.884 13.165 -2.210) 14.588 5.951 ( -26.287 8.162 7.696) 28.581 6.633 ( 17.925 -10.903 -8.598) 22.674 8.027 ( -18.178 -21.393 -1.529) 28.115 9.695 ( 4.061 14.662 -0.179) 15.215 13.364 ( 8.189 10.202 0.925) 13.114 15.725 ( -3.425 -8.629 4.533) 10.331 15.832 ( -0.126 1.026 -3.392) 3.546 16.275 ( -2.515 -5.358 -1.409) 6.084 19.294 ( 9.703 5.921 6.577) 13.133 19.919 ( -4.969 -2.881 -6.199) 8.451 ======================= Grid point 536 (215/670) ======================= q-point: (-0.11 0.42 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.294 ( 1.046 -5.073 0.106) 5.181 2.947 ( 5.392 11.383 1.567) 12.692 5.608 ( -27.941 10.795 12.548) 32.476 6.771 ( 10.292 -9.438 -7.518) 15.859 7.536 ( -12.559 -16.848 -7.375) 22.271 9.819 ( -6.840 14.061 1.174) 15.680 13.649 ( 11.237 11.775 2.405) 16.453 15.562 ( -4.450 -12.200 3.612) 13.479 15.843 ( 1.408 0.934 -2.492) 3.011 16.193 ( 0.725 -6.592 -1.764) 6.862 19.515 ( 6.788 6.481 2.982) 9.848 19.814 ( -1.031 -4.523 -3.254) 5.667 ======================= Grid point 537 (216/670) ======================= q-point: (-0.05 0.42 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.280 ( 3.116 -4.138 -2.637) 5.813 3.132 ( 3.394 8.937 3.519) 10.187 5.290 ( -28.564 13.421 18.612) 36.639 6.626 ( -16.913 -4.865 -2.508) 17.776 7.349 ( 12.877 -13.855 -17.149) 25.532 9.741 ( -19.653 15.257 2.430) 24.998 13.980 ( 11.554 12.102 4.309) 17.278 15.371 ( -2.750 -15.027 3.319) 15.633 15.878 ( 0.783 2.702 -2.778) 3.954 16.173 ( 7.477 -9.186 -2.294) 12.065 19.641 ( 1.230 7.357 -17.048) 18.609 19.803 ( 5.220 -7.078 16.229) 18.459 ======================= Grid point 547 (217/670) ======================= q-point: ( 0.47 0.47 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( 0.000 -9.143 -1.605) 9.283 3.121 ( -0.000 0.620 2.676) 2.746 5.684 ( -0.000 8.757 15.596) 17.887 6.513 ( 0.000 19.372 -3.366) 19.662 7.776 ( 0.000 6.491 -12.010) 13.652 10.141 ( -0.000 24.987 2.202) 25.084 14.376 ( 0.000 -13.208 0.022) 13.208 14.807 ( -0.000 3.925 12.199) 12.815 15.506 ( 0.000 -19.605 -9.585) 21.823 16.623 ( 0.000 4.645 -0.757) 4.706 18.225 ( 0.000 -8.720 -2.757) 9.145 21.037 ( -0.000 0.879 1.797) 2.000 ======================= Grid point 548 (218/670) ======================= q-point: ( 0.53 0.47 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( 2.087 -6.128 0.317) 6.481 3.118 ( -1.571 -0.105 2.117) 2.638 5.794 ( 0.579 4.507 10.411) 11.359 6.738 ( 7.862 13.945 -2.725) 16.238 7.769 ( -3.580 4.936 -9.446) 11.243 10.332 ( -3.333 17.263 0.769) 17.599 14.148 ( -11.847 -8.269 1.537) 14.529 14.974 ( 8.526 1.972 10.658) 13.790 15.350 ( 6.061 -14.246 -9.092) 17.954 16.652 ( -0.789 3.175 -1.366) 3.545 18.166 ( 2.125 -5.534 -0.369) 5.939 21.019 ( -3.140 0.306 0.122) 3.157 ======================= Grid point 549 (219/670) ======================= q-point: ( 0.58 0.47 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( 4.564 -2.355 2.243) 5.604 3.077 ( -3.414 -0.713 1.445) 3.775 5.860 ( 1.782 -0.167 5.184) 5.484 7.037 ( 15.015 7.989 -2.645) 17.212 7.693 ( -7.389 3.817 -5.940) 10.220 10.358 ( -7.969 7.187 -0.552) 10.745 13.856 ( -14.827 -4.311 1.369) 15.502 15.138 ( 8.890 -3.499 4.572) 10.592 15.409 ( 11.644 -2.302 -2.690) 12.170 16.652 ( -1.341 1.507 -1.902) 2.772 18.187 ( 4.214 -1.785 1.938) 4.970 20.937 ( -6.089 -0.403 -1.488) 6.281 ======================= Grid point 550 (220/670) ======================= q-point: (-0.37 -0.53 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( 7.124 1.262 4.041) 8.287 2.997 ( -5.204 -0.921 0.463) 5.305 5.888 ( 3.749 -4.979 0.163) 6.234 7.365 ( 15.251 1.916 -7.409) 17.063 7.579 ( -5.245 2.885 3.015) 6.702 10.207 ( -12.155 -1.063 -1.865) 12.343 13.579 ( -14.383 -0.761 0.368) 14.408 15.282 ( 10.926 -2.465 0.169) 11.202 15.610 ( 10.143 2.302 2.343) 10.661 16.628 ( -1.482 0.014 -2.384) 2.807 18.285 ( 5.990 1.706 4.380) 7.614 20.796 ( -8.471 -1.021 -3.155) 9.097 ======================= Grid point 551 (221/670) ======================= q-point: (-0.32 -0.53 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( 9.322 3.862 5.773) 11.625 2.887 ( -6.547 -0.452 -1.044) 6.645 5.900 ( 6.833 -9.162 -4.213) 12.181 7.307 ( -13.115 2.922 -5.574) 14.547 7.822 ( 23.614 -5.866 6.008) 25.063 9.935 ( -14.655 -3.978 -3.518) 15.588 13.363 ( -11.651 3.127 -0.573) 12.077 15.456 ( 10.571 -0.352 -0.810) 10.608 15.787 ( 6.234 2.241 3.551) 7.516 16.586 ( -1.791 -1.341 -2.795) 3.580 18.451 ( 7.665 4.409 7.000) 11.278 20.612 ( -9.990 -1.367 -4.982) 11.247 ======================= Grid point 552 (222/670) ======================= q-point: (-0.26 -0.53 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( 10.465 4.581 7.862) 13.867 2.765 ( -6.861 1.292 -3.432) 7.779 5.927 ( 11.013 -12.062 -7.632) 18.029 7.063 ( -17.530 3.915 -1.177) 18.000 8.150 ( 23.443 -17.271 6.857) 29.915 9.650 ( -13.157 0.920 -5.595) 14.326 13.247 ( -7.294 7.156 -1.142) 10.282 15.616 ( 8.051 0.073 -0.413) 8.062 15.881 ( 1.806 0.552 3.000) 3.545 16.518 ( -2.899 -2.751 -2.905) 4.941 18.675 ( 9.231 6.060 9.502) 14.568 20.402 ( -10.471 -1.388 -7.022) 12.684 ======================= Grid point 553 (223/670) ======================= q-point: (-0.21 -0.53 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.208 ( 8.359 1.206 10.627) 13.574 2.681 ( -4.146 6.344 -6.844) 10.212 6.000 ( 15.596 -13.468 -10.082) 22.941 6.784 ( -20.381 5.522 2.466) 21.259 8.241 ( 9.731 -28.976 6.438) 31.237 9.548 ( -1.728 10.368 -5.682) 11.948 13.252 ( -1.982 10.728 -1.251) 10.982 15.722 ( 4.383 -1.113 1.459) 4.752 15.879 ( -1.812 -1.490 0.726) 2.456 16.412 ( -4.341 -4.158 -2.487) 6.505 18.939 ( 10.119 6.554 11.533) 16.684 20.188 ( -9.867 -1.189 -9.230) 13.564 ======================= Grid point 554 (224/670) ======================= q-point: (-0.16 -0.53 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.296 ( 0.672 -4.391 7.886) 9.051 2.757 ( 3.839 12.551 -4.977) 14.037 6.133 ( 19.291 -13.411 -11.603) 26.204 6.495 ( -22.343 7.739 6.183) 24.440 7.984 ( -5.492 -28.900 2.877) 29.558 9.720 ( 7.818 11.692 -2.747) 14.331 13.382 ( 3.415 13.354 -0.848) 13.810 15.718 ( -2.794 -6.761 4.290) 8.481 15.832 ( -0.746 -0.074 -2.567) 2.674 16.279 ( -4.547 -5.159 -1.802) 7.109 19.213 ( 9.805 6.044 12.957) 17.336 19.988 ( -8.229 -0.989 -11.393) 14.089 ======================= Grid point 555 (225/670) ======================= q-point: (-0.11 0.47 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.253 ( -1.268 -4.142 2.504) 5.004 2.964 ( 5.898 11.579 -0.720) 13.014 6.209 ( -23.580 11.501 10.871) 28.398 6.324 ( 20.797 -13.078 -12.687) 27.649 7.565 ( -12.090 -23.567 -0.467) 26.492 9.954 ( 5.579 10.709 -0.596) 12.090 13.620 ( 7.887 14.846 0.100) 16.812 15.549 ( -6.420 -11.108 2.107) 13.002 15.820 ( -0.258 -0.728 -0.720) 1.056 16.157 ( -2.906 -5.060 -1.427) 6.007 19.466 ( 8.243 5.101 13.101) 16.297 19.820 ( -5.649 -1.235 -12.499) 13.772 ======================= Grid point 556 (226/670) ======================= q-point: (-0.05 0.47 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.208 ( 0.192 -3.225 -0.846) 3.340 3.157 ( 4.494 8.550 1.147) 9.727 5.953 ( -25.578 14.659 16.408) 33.739 6.520 ( 18.035 -10.025 -11.523) 23.633 7.139 ( -10.821 -18.165 -5.227) 21.780 10.083 ( -3.796 11.082 0.701) 11.735 13.934 ( 10.467 15.208 1.600) 18.531 15.313 ( -6.540 -14.308 1.202) 15.778 15.816 ( 2.712 -2.631 -0.755) 3.853 16.073 ( -1.527 -3.864 -1.036) 4.282 19.650 ( 0.779 7.462 -14.376) 16.217 19.718 ( 2.633 -5.430 14.067) 15.307 ======================= Grid point 567 (227/670) ======================= q-point: ( 0.53 0.53 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( -0.000 -2.984 2.965) 4.207 3.135 ( -0.000 -0.400 1.612) 1.661 5.834 ( -0.000 -0.273 4.940) 4.947 6.771 ( 0.000 7.690 -1.823) 7.903 7.821 ( 0.000 4.474 -7.225) 8.498 10.499 ( 0.000 9.325 -0.839) 9.363 14.197 ( -0.000 -4.873 1.881) 5.224 14.962 ( -0.000 1.195 9.317) 9.394 15.133 ( 0.000 -8.035 -7.675) 11.112 16.679 ( 0.000 1.779 -2.208) 2.835 18.110 ( -0.000 -2.516 2.671) 3.669 21.045 ( 0.000 -0.082 -1.829) 1.830 ======================= Grid point 568 (228/670) ======================= q-point: (-0.42 -0.47 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( 2.313 0.701 5.267) 5.795 3.118 ( -1.785 -0.802 1.062) 2.227 5.820 ( 0.711 -5.061 -0.491) 5.134 6.878 ( 7.887 1.105 -1.231) 8.059 7.811 ( -3.780 3.869 -4.357) 6.946 10.498 ( -4.481 -0.753 -2.262) 5.076 14.070 ( -11.514 -0.435 1.919) 11.681 14.965 ( 6.322 -7.486 -3.184) 10.303 15.239 ( 8.804 7.004 5.017) 12.318 16.673 ( -0.903 0.161 -2.907) 3.048 18.136 ( 2.422 1.025 5.340) 5.953 21.005 ( -3.263 -0.627 -3.621) 4.914 ======================= Grid point 569 (229/670) ======================= q-point: (-0.37 -0.47 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( 4.662 3.976 7.055) 9.344 3.065 ( -3.589 -0.980 0.236) 3.728 5.759 ( 1.951 -9.759 -5.528) 11.385 7.050 ( 14.831 -5.457 -1.155) 15.845 7.744 ( -7.103 3.410 -0.458) 7.892 10.328 ( -8.057 -8.903 -3.593) 12.533 13.846 ( -15.204 2.691 0.227) 15.442 15.062 ( 11.379 -2.695 -2.794) 12.023 15.498 ( 9.353 8.264 6.090) 13.887 16.637 ( -1.326 -1.256 -3.431) 3.887 18.243 ( 4.436 4.254 7.827) 9.952 20.900 ( -6.230 -1.101 -5.391) 8.312 ======================= Grid point 570 (230/670) ======================= q-point: (-0.32 -0.47 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( 6.836 6.139 8.412) 12.457 2.980 ( -5.126 -0.622 -1.098) 5.279 5.669 ( 4.326 -13.779 -9.699) 17.397 7.245 ( 16.415 -10.998 -3.354) 20.042 7.653 ( -6.447 2.101 6.147) 9.152 10.051 ( -9.414 -12.388 -5.005) 16.344 13.630 ( -14.168 6.058 -1.312) 15.464 15.254 ( 12.333 0.146 -1.490) 12.424 15.734 ( 6.370 7.460 5.618) 11.304 16.585 ( -1.390 -2.262 -3.763) 4.606 18.416 ( 5.943 6.626 10.312) 13.622 20.740 ( -8.547 -1.313 -7.251) 11.285 ======================= Grid point 571 (231/670) ======================= q-point: (-0.26 -0.47 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( 8.385 6.746 9.710) 14.495 2.877 ( -5.893 0.713 -3.194) 6.740 5.588 ( 8.182 -16.495 -12.691) 22.362 7.282 ( -1.429 -5.923 -4.819) 7.768 7.677 ( 10.397 -9.964 12.146) 18.839 9.763 ( -7.608 -10.577 -6.438) 14.533 13.485 ( -10.930 9.632 -2.307) 14.750 15.456 ( 10.630 0.612 -0.212) 10.649 15.884 ( 1.803 4.974 4.154) 6.727 16.521 ( -1.916 -2.746 -3.568) 4.893 18.638 ( 7.220 7.948 12.711) 16.639 20.541 ( -9.986 -1.190 -9.275) 13.680 ======================= Grid point 572 (232/670) ======================= q-point: (-0.21 -0.47 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.133 ( 7.741 4.798 11.319) 14.528 2.789 ( -4.544 4.062 -6.144) 8.654 5.557 ( 13.183 -17.703 -14.561) 26.443 7.120 ( -11.259 -0.538 -0.125) 11.272 7.780 ( 12.860 -21.622 11.152) 27.518 9.585 ( -0.678 -4.795 -6.892) 8.423 13.438 ( -6.437 12.806 -2.817) 14.607 15.618 ( 7.455 -0.057 1.556) 7.616 15.915 ( -2.520 1.099 1.225) 3.009 16.438 ( -3.666 -2.693 -2.412) 5.149 18.895 ( 8.228 8.156 14.764) 18.767 20.322 ( -10.454 -0.790 -11.479) 15.546 ======================= Grid point 573 (233/670) ======================= q-point: (-0.16 -0.47 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.280 ( 1.788 -0.294 10.393) 10.550 2.804 ( 1.607 9.767 -6.837) 12.030 5.606 ( 18.423 -17.610 -15.601) 29.882 6.910 ( -14.633 2.558 3.790) 15.331 7.715 ( 3.391 -25.754 8.957) 27.477 9.622 ( 9.535 -0.057 -5.060) 10.794 13.501 ( -1.291 15.137 -2.882) 15.463 15.702 ( 1.143 -2.907 4.558) 5.526 15.848 ( -3.008 -1.070 -3.237) 4.546 16.323 ( -5.947 -2.711 -0.775) 6.582 19.166 ( 8.555 7.296 16.361) 19.852 20.101 ( -9.955 -0.258 -13.814) 17.029 ======================= Grid point 574 (234/670) ======================= q-point: (-0.11 -0.47 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( -2.866 -2.026 4.925) 6.048 2.969 ( 5.824 10.868 -3.179) 12.733 5.742 ( 22.814 -16.537 -16.122) 32.463 6.702 ( -16.350 5.995 7.397) 18.920 7.469 ( -5.468 -23.319 6.748) 24.884 9.837 ( 14.485 1.419 -2.500) 14.767 13.672 ( 3.794 16.441 -2.494) 17.057 15.574 ( -7.742 -9.351 1.042) 12.185 15.834 ( -0.150 1.359 -0.580) 1.485 16.184 ( -6.186 -3.339 0.268) 7.035 19.426 ( 7.911 5.596 17.547) 20.045 19.895 ( -8.541 0.241 -16.090) 18.218 ======================= Grid point 587 (235/670) ======================= q-point: (-0.42 -0.42 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( -0.000 4.051 7.611) 8.622 3.127 ( -0.000 -1.193 0.723) 1.395 5.731 ( 0.000 -9.719 -6.037) 11.441 6.784 ( 0.000 -5.621 -0.402) 5.636 7.870 ( 0.000 3.436 -1.897) 3.924 10.470 ( 0.000 -10.813 -3.763) 11.449 14.216 ( -0.000 4.862 3.792) 6.166 14.785 ( 0.000 -8.532 -8.893) 12.324 15.298 ( -0.000 13.618 9.280) 16.480 16.664 ( 0.000 -1.371 -3.779) 4.020 18.162 ( -0.000 4.270 8.148) 9.199 21.011 ( 0.000 -1.051 -5.477) 5.577 ======================= Grid point 588 (236/670) ======================= q-point: (-0.37 -0.42 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( 2.170 6.801 9.172) 11.623 3.099 ( -1.748 -1.553 0.176) 2.345 5.592 ( 0.764 -14.078 -11.078) 17.931 6.765 ( 7.887 -11.855 0.156) 14.239 7.869 ( -3.540 2.820 1.326) 4.716 10.274 ( -3.364 -18.868 -5.170) 19.850 14.146 ( -13.973 6.479 1.072) 15.440 14.817 ( 12.034 -2.998 -5.792) 13.688 15.519 ( 4.438 15.345 8.955) 18.312 16.624 ( -0.753 -2.673 -4.377) 5.184 18.269 ( 2.348 7.161 10.480) 12.908 20.950 ( -3.275 -1.437 -7.209) 8.047 ======================= Grid point 589 (237/670) ======================= q-point: (-0.32 -0.42 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( 4.150 8.418 10.074) 13.768 3.039 ( -3.278 -1.542 -0.843) 3.719 5.417 ( 2.357 -17.740 -15.088) 23.407 6.814 ( 14.377 -17.676 0.324) 22.787 7.819 ( -6.210 2.451 5.288) 8.517 9.976 ( -4.393 -22.569 -6.552) 23.907 13.951 ( -15.409 7.841 -2.172) 17.425 15.030 ( 13.704 1.176 -1.849) 13.879 15.772 ( 3.919 14.440 7.675) 16.816 16.565 ( -0.908 -3.222 -4.567) 5.663 18.443 ( 4.094 9.129 12.570) 16.066 20.828 ( -6.164 -1.584 -8.937) 10.971 ======================= Grid point 590 (238/670) ======================= q-point: (-0.26 -0.42 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( 5.861 8.741 10.655) 14.976 2.956 ( -4.266 -0.776 -2.608) 5.060 5.242 ( 5.476 -20.089 -17.673) 27.311 6.890 ( 17.211 -23.052 -0.240) 28.769 7.750 ( -7.046 2.508 10.027) 12.509 9.665 ( -2.744 -22.033 -7.826) 23.542 13.784 ( -13.034 10.411 -3.818) 17.113 15.270 ( 12.220 2.011 0.451) 12.392 15.957 ( 0.089 10.506 5.172) 11.710 16.509 ( -0.821 -1.923 -3.616) 4.177 18.662 ( 5.307 10.037 14.527) 18.437 20.656 ( -8.377 -1.395 -10.736) 13.689 ======================= Grid point 591 (239/670) ======================= q-point: (-0.21 -0.42 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.108 ( 6.444 7.502 11.431) 15.115 2.872 ( -3.876 1.352 -5.333) 6.730 5.112 ( 10.119 -20.903 -18.906) 29.946 6.920 ( 14.328 -26.215 -0.976) 29.891 7.700 ( -5.911 1.920 14.551) 15.823 9.426 ( 2.331 -18.636 -8.485) 20.609 13.694 ( -9.330 12.957 -4.663) 16.633 15.482 ( 9.686 1.511 2.295) 10.068 15.998 ( -4.220 3.150 0.567) 5.296 16.478 ( -2.378 1.824 -0.755) 3.091 18.909 ( 6.210 9.921 16.241) 20.019 20.452 ( -9.765 -0.900 -12.631) 15.991 ======================= Grid point 592 (240/670) ======================= q-point: (-0.16 -0.42 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.292 ( 2.995 3.836 11.694) 12.666 2.845 ( 0.169 5.726 -7.857) 9.724 5.068 ( 15.669 -20.513 -19.213) 32.178 6.856 ( 8.801 -25.444 -0.392) 26.926 7.654 ( -7.321 0.493 16.553) 18.107 9.350 ( 11.249 -14.465 -7.512) 19.804 13.695 ( -4.842 14.920 -4.975) 16.456 15.643 ( 6.161 0.843 4.731) 7.813 15.895 ( -6.260 -3.254 -4.252) 8.237 16.437 ( -6.529 4.100 1.578) 7.869 19.168 ( 6.751 8.848 17.564) 20.793 20.230 ( -10.292 -0.212 -14.584) 17.851 ======================= Grid point 593 (241/670) ======================= q-point: (-0.11 -0.42 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.337 ( -3.167 0.652 7.436) 8.108 2.956 ( 5.749 8.883 -5.902) 12.116 5.127 ( 21.271 -19.425 -19.045) 34.533 6.737 ( 5.348 -22.190 1.084) 22.851 7.541 ( -12.870 1.186 16.583) 21.024 9.476 ( 19.938 -11.406 -4.931) 23.494 13.792 ( 0.026 16.042 -4.850) 16.759 15.642 ( -8.761 -5.962 1.334) 10.681 15.806 ( 3.850 -0.542 -1.666) 4.230 16.335 ( -10.618 3.796 2.305) 11.509 19.419 ( 6.666 6.956 18.401) 20.771 20.009 ( -9.962 0.535 -16.422) 19.215 ======================= Grid point 607 (242/670) ======================= q-point: (-0.37 -0.37 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( -0.000 8.941 10.420) 13.730 3.095 ( 0.000 -2.314 0.011) 2.314 5.384 ( 0.000 -17.848 -16.156) 24.074 6.553 ( -0.000 -17.303 0.793) 17.321 7.929 ( -0.000 1.299 4.393) 4.580 10.053 ( 0.000 -26.551 -6.791) 27.405 14.423 ( -0.000 12.654 4.970) 13.595 14.597 ( 0.000 -4.828 -10.017) 11.120 15.690 ( -0.000 19.462 9.777) 21.779 16.583 ( 0.000 -3.881 -5.066) 6.382 18.369 ( -0.000 9.703 12.472) 15.802 20.937 ( 0.000 -1.773 -8.793) 8.970 ======================= Grid point 608 (243/670) ======================= q-point: (-0.32 -0.37 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( 1.804 9.956 10.935) 14.898 3.055 ( -1.452 -2.907 -0.552) 3.296 5.142 ( 1.002 -20.887 -20.189) 29.067 6.428 ( 7.606 -21.916 1.163) 23.227 7.926 ( -2.608 -0.811 8.154) 8.599 9.735 ( -1.117 -29.493 -8.444) 30.699 14.284 ( -15.356 6.434 -3.974) 17.117 14.808 ( 14.480 5.001 -0.695) 15.335 15.931 ( 0.845 19.856 9.182) 21.892 16.523 ( -0.166 -4.037 -5.187) 6.575 18.534 ( 2.022 11.289 14.028) 18.120 20.862 ( -3.191 -1.887 -10.273) 10.921 ======================= Grid point 609 (244/670) ======================= q-point: (-0.26 -0.37 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( 3.426 9.776 10.936) 15.064 2.988 ( -2.419 -2.929 -1.857) 4.228 4.893 ( 3.269 -22.654 -22.572) 32.146 6.377 ( 13.335 -26.161 1.169) 29.387 7.885 ( -3.468 -2.617 12.238) 12.986 9.403 ( -0.306 -28.043 -9.933) 29.752 14.093 ( -13.132 8.158 -5.853) 16.531 15.094 ( 12.351 5.321 1.691) 13.554 16.119 ( -2.752 13.574 5.480) 14.895 16.492 ( 0.997 0.894 -2.546) 2.876 18.742 ( 3.459 11.773 15.356) 19.656 20.730 ( -5.961 -1.662 -11.722) 13.255 ======================= Grid point 610 (245/670) ======================= q-point: (-0.21 -0.37 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( 4.806 8.564 10.910) 14.678 2.910 ( -2.488 -1.898 -4.257) 5.283 4.681 ( 7.133 -22.875 -23.272) 33.403 6.358 ( 16.001 -30.051 1.044) 34.062 7.848 ( -2.607 -2.554 16.251) 16.656 9.124 ( 2.345 -24.548 -10.980) 26.994 13.965 ( -10.139 10.443 -6.646) 16.001 15.341 ( 10.303 3.757 3.060) 11.386 16.115 ( -6.210 1.949 -1.125) 6.605 16.564 ( -0.698 10.232 2.816) 10.635 18.975 ( 4.419 11.270 16.486) 20.453 20.556 ( -8.097 -1.097 -13.150) 15.481 ======================= Grid point 611 (246/670) ======================= q-point: (-0.16 -0.37 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.319 ( 4.170 6.279 11.596) 13.831 2.856 ( -0.259 0.847 -7.839) 7.889 4.550 ( 12.150 -22.100 -22.865) 34.042 6.326 ( 15.792 -32.327 1.384) 36.005 7.850 ( -2.834 0.543 19.538) 19.750 8.946 ( 8.453 -22.026 -11.260) 26.141 13.914 ( -6.494 12.316 -6.870) 15.526 15.541 ( 8.555 1.742 3.853) 9.543 15.976 ( -8.257 -2.599 -3.456) 9.321 16.635 ( -5.911 12.077 3.983) 14.024 19.215 ( 5.035 9.922 17.275) 20.548 20.354 ( -9.507 -0.273 -14.474) 17.319 ======================= Grid point 612 (247/670) ======================= q-point: (-0.11 -0.37 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.427 ( -1.645 3.052 10.114) 10.692 2.903 ( 5.902 5.009 -9.019) 11.886 4.523 ( 17.850 -21.246 -22.023) 35.426 6.274 ( 14.574 -31.289 2.497) 34.607 7.855 ( -8.313 5.654 20.617) 22.937 8.932 ( 19.377 -21.437 -9.549) 30.434 13.944 ( -2.361 13.433 -6.626) 15.163 15.689 ( 6.791 -2.867 -0.437) 7.385 15.773 ( -10.453 -1.452 0.836) 10.587 16.614 ( -11.411 11.130 3.349) 16.289 19.447 ( 5.250 7.843 17.359) 19.759 20.139 ( -10.167 0.715 -15.348) 18.424 ======================= Grid point 627 (248/670) ======================= q-point: (-0.32 -0.32 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( -0.000 10.333 11.156) 15.206 3.029 ( 0.000 -4.379 -0.503) 4.408 4.845 ( 0.000 -23.164 -24.545) 33.750 6.134 ( -0.000 -24.972 1.620) 25.025 7.939 ( -0.000 -7.437 11.957) 14.081 9.414 ( 0.000 -29.477 -10.421) 31.265 14.461 ( 0.000 -2.778 -9.720) 10.109 14.745 ( -0.000 15.687 4.768) 16.396 16.172 ( -0.000 22.495 10.049) 24.638 16.462 ( 0.000 -4.320 -5.554) 7.036 18.681 ( -0.000 12.527 14.944) 19.500 20.836 ( 0.000 -1.973 -11.413) 11.582 ======================= Grid point 628 (249/670) ======================= q-point: (-0.26 -0.32 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( 1.438 9.400 10.780) 14.375 2.969 ( -0.847 -5.513 -1.099) 5.685 4.540 ( 1.676 -24.132 -27.228) 36.421 5.941 ( 6.803 -27.403 1.727) 28.288 7.861 ( 0.610 -16.835 15.107) 22.627 9.114 ( -0.554 -22.289 -11.333) 25.011 14.321 ( -8.756 1.961 -8.237) 12.180 14.994 ( 8.424 10.870 3.143) 14.107 16.322 ( -5.802 6.462 0.792) 8.720 16.500 ( 3.973 12.669 3.840) 13.822 18.869 ( 1.653 12.638 15.555) 20.110 20.754 ( -3.066 -1.699 -12.427) 12.912 ======================= Grid point 629 (250/670) ======================= q-point: (-0.21 -0.32 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.173 ( 3.048 7.319 9.863) 12.655 2.891 ( -0.897 -5.661 -2.733) 6.350 4.271 ( 4.725 -23.407 -27.738) 36.601 5.823 ( 11.551 -29.769 1.724) 31.978 7.750 ( 5.643 -24.448 16.533) 30.047 8.886 ( -2.090 -12.743 -10.336) 16.540 14.184 ( -8.246 5.508 -8.025) 12.756 15.233 ( 8.578 5.678 2.723) 10.641 16.236 ( -6.684 1.155 -2.455) 7.213 16.726 ( 0.296 18.328 7.001) 19.622 19.078 ( 2.840 11.742 15.963) 20.019 20.623 ( -5.740 -1.041 -13.300) 14.523 ======================= Grid point 630 (251/670) ======================= q-point: (-0.16 -0.32 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.332 ( 5.037 4.956 9.309) 11.687 2.819 ( 0.099 -4.172 -5.729) 7.088 4.076 ( 8.681 -21.790 -26.645) 35.498 5.748 ( 14.221 -31.614 2.333) 34.744 7.707 ( 13.341 -26.447 17.024) 34.165 8.716 ( -3.922 -5.761 -8.552) 11.032 14.103 ( -6.102 8.003 -7.883) 12.783 15.414 ( 8.214 0.179 1.826) 8.416 16.114 ( -8.813 2.421 -1.321) 9.234 16.890 ( -4.528 17.423 6.107) 19.010 19.293 ( 3.620 10.039 16.038) 19.264 20.458 ( -7.853 -0.041 -13.882) 15.949 ======================= Grid point 631 (252/670) ======================= q-point: (-0.11 -0.32 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.490 ( 3.504 3.442 11.418) 12.429 2.797 ( 4.500 -1.076 -10.952) 11.889 3.971 ( 13.115 -21.031 -25.075) 35.257 5.702 ( 15.825 -31.309 3.917) 35.300 7.801 ( 19.722 -23.068 18.279) 35.429 8.579 ( -3.960 -2.956 -7.951) 9.361 14.086 ( -3.184 9.512 -7.417) 12.476 15.522 ( 7.045 -5.769 -1.506) 9.229 15.982 ( -10.777 5.458 2.706) 12.379 16.946 ( -10.020 15.561 4.351) 19.013 19.496 ( 4.003 7.648 15.207) 17.486 20.272 ( -9.303 1.274 -13.628) 16.550 ======================= Grid point 647 (253/670) ======================= q-point: (-0.26 -0.26 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( -0.000 7.349 10.206) 12.577 2.905 ( 0.000 -8.157 -0.739) 8.190 4.194 ( 0.000 -24.128 -30.698) 39.045 5.616 ( -0.000 -27.581 1.949) 27.649 7.633 ( -0.000 -34.990 14.507) 37.878 8.937 ( 0.000 -8.563 -8.801) 12.279 14.365 ( 0.000 -1.087 -8.500) 8.570 15.049 ( -0.000 11.142 2.371) 11.391 16.379 ( 0.000 0.335 -4.266) 4.279 16.689 ( -0.000 22.807 10.581) 25.142 19.028 ( -0.000 12.392 15.394) 19.762 20.725 ( 0.000 -1.339 -12.931) 13.000 ======================= Grid point 648 (254/670) ======================= q-point: (-0.21 -0.26 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.220 ( 1.275 3.342 8.533) 9.252 2.812 ( 0.379 -9.860 -1.084) 9.927 3.887 ( 2.658 -22.009 -31.677) 38.664 5.398 ( 5.387 -27.650 1.934) 28.236 7.322 ( 6.613 -44.592 12.113) 46.678 8.862 ( -2.729 0.807 -4.372) 5.217 14.298 ( -3.989 1.309 -7.730) 8.797 15.178 ( 4.464 4.471 0.581) 6.345 16.355 ( -4.456 5.049 -2.272) 7.108 16.949 ( 0.173 21.503 9.907) 23.676 19.205 ( 1.380 11.114 15.003) 18.722 20.649 ( -2.957 -0.544 -13.199) 13.538 ======================= Grid point 649 (255/670) ======================= q-point: (-0.16 -0.26 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.289 ( 4.245 -2.252 4.347) 6.480 2.733 ( 1.748 -8.368 -0.727) 8.579 3.660 ( 5.674 -18.936 -30.270) 36.153 5.255 ( 9.137 -27.994 2.540) 29.557 7.099 ( 16.432 -45.713 10.015) 49.598 8.814 ( -5.925 5.481 -0.645) 8.097 14.228 ( -4.254 4.098 -7.324) 9.409 15.279 ( 6.136 -2.602 -0.775) 6.710 16.315 ( -7.931 8.867 0.216) 11.898 17.162 ( -2.852 19.697 8.227) 21.536 19.384 ( 2.411 9.038 14.264) 17.057 20.535 ( -5.559 0.648 -13.013) 14.165 ======================= Grid point 650 (256/670) ======================= q-point: (-0.11 -0.26 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.377 ( 10.756 -5.546 -0.141) 12.102 2.704 ( 1.790 -4.103 0.338) 4.489 3.509 ( 8.268 -17.871 -28.226) 34.416 5.173 ( 12.367 -27.494 4.446) 30.473 7.060 ( 26.784 -42.253 7.887) 50.645 8.757 ( -8.847 7.926 2.240) 12.088 14.193 ( -2.954 6.052 -6.902) 9.643 15.332 ( 6.501 -7.614 -2.151) 10.240 16.259 ( -10.605 11.010 3.077) 15.593 17.280 ( -7.688 17.515 5.779) 19.981 19.550 ( 2.981 6.368 12.551) 14.386 20.396 ( -7.565 2.206 -11.730) 14.131 ======================= Grid point 667 (257/670) ======================= q-point: (-0.21 -0.21 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.236 ( -0.000 -3.369 6.478) 7.302 2.682 ( 0.000 -14.282 -0.536) 14.292 3.563 ( 0.000 -17.554 -32.929) 37.315 5.099 ( -0.000 -24.891 1.693) 24.948 6.802 ( -0.000 -52.408 9.403) 53.245 8.919 ( -0.000 6.026 0.100) 6.027 14.315 ( 0.000 0.708 -6.451) 6.490 15.161 ( 0.000 -0.391 -1.897) 1.937 16.467 ( 0.000 10.395 -1.173) 10.461 17.195 ( -0.000 21.236 11.001) 23.916 19.341 ( -0.000 9.453 13.777) 16.709 20.633 ( 0.000 0.418 -12.825) 12.832 ======================= Grid point 668 (258/670) ======================= q-point: (-0.16 -0.21 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( 0.954 -12.488 -0.288) 12.528 2.568 ( 4.712 -15.060 1.900) 15.894 3.339 ( 2.123 -12.169 -30.668) 33.062 4.902 ( 3.605 -22.846 1.844) 23.202 6.390 ( 10.703 -52.763 7.934) 54.419 8.968 ( -3.193 8.116 2.858) 9.178 14.290 ( -1.958 2.269 -5.590) 6.342 15.152 ( 3.186 -5.505 -3.056) 7.057 16.544 ( -5.001 13.611 0.449) 14.508 17.423 ( -1.354 19.742 10.141) 22.236 19.474 ( 1.232 7.061 12.232) 14.177 20.580 ( -2.852 1.742 -11.955) 12.413 ======================= Grid point 669 (259/670) ======================= q-point: (-0.11 -0.21 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( 8.190 -16.569 -8.706) 20.430 2.562 ( 8.582 -13.065 6.663) 16.992 3.182 ( 2.603 -10.353 -28.106) 30.065 4.779 ( 6.751 -21.324 3.569) 22.650 6.194 ( 22.588 -48.353 5.895) 53.693 8.985 ( -6.163 9.039 4.677) 11.898 14.268 ( -2.192 4.032 -5.260) 6.981 15.142 ( 5.054 -8.795 -3.029) 10.587 16.566 ( -8.999 14.340 2.388) 17.097 17.586 ( -5.023 17.746 7.619) 19.955 19.595 ( 2.082 4.338 9.906) 11.012 20.500 ( -5.233 3.249 -10.018) 11.761 ======================= Grid point 687 (260/670) ======================= q-point: (-0.16 -0.16 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( 0.000 -20.548 -4.236) 20.980 2.323 ( 0.000 -21.852 0.236) 21.853 3.147 ( 0.000 -6.866 -26.249) 27.132 4.675 ( -0.000 -18.313 0.875) 18.333 5.786 ( -0.000 -53.318 7.813) 53.888 9.092 ( -0.000 8.848 4.437) 9.898 14.313 ( 0.000 2.343 -3.888) 4.540 15.046 ( 0.000 -7.861 -4.220) 8.922 16.737 ( -0.000 15.696 0.329) 15.700 17.659 ( -0.000 18.544 10.919) 21.519 19.556 ( -0.000 4.517 10.045) 11.014 20.593 ( 0.000 3.022 -10.629) 11.050 ======================= Grid point 688 (261/670) ======================= q-point: (-0.11 -0.16 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( 1.898 -23.542 -10.535) 25.861 2.203 ( 11.251 -23.420 2.334) 26.087 3.005 ( 0.479 -8.156 -22.167) 23.625 4.532 ( 2.244 -15.428 1.488) 15.661 5.415 ( 13.198 -48.096 6.708) 50.323 9.169 ( -3.047 8.903 5.101) 10.704 14.319 ( -1.162 3.278 -3.107) 4.663 14.972 ( 2.818 -9.336 -3.879) 10.495 16.848 ( -5.414 15.502 1.033) 16.453 17.849 ( -2.463 16.855 9.461) 19.485 19.626 ( 1.133 1.999 7.543) 7.886 20.575 ( -2.618 4.140 -8.638) 9.930 ======================= Grid point 707 (262/670) ======================= q-point: (-0.11 -0.11 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( 0.000 -26.145 -10.330) 28.111 1.829 ( -0.000 -27.961 1.427) 27.998 2.814 ( 0.000 -16.889 -19.356) 25.688 4.386 ( 0.000 -11.310 -0.208) 11.311 4.878 ( -0.000 -40.421 7.653) 41.140 9.296 ( -0.000 8.348 4.686) 9.573 14.354 ( 0.000 3.267 -1.373) 3.544 14.842 ( 0.000 -9.335 -4.026) 10.166 17.050 ( -0.000 14.954 0.022) 14.954 18.061 ( -0.000 15.340 10.071) 18.351 19.644 ( -0.000 -0.132 5.400) 5.402 20.617 ( 0.000 4.645 -7.301) 8.653 ======================= Grid point 768 (263/670) ======================= q-point: ( 0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.353 ( -0.000 0.000 18.802) 18.802 0.353 ( -0.000 0.000 18.802) 18.802 1.429 ( -0.000 0.000 76.150) 76.150 4.043 ( 0.000 -0.000 -5.870) 5.870 4.043 ( 0.000 -0.000 -5.870) 5.870 9.447 ( 0.000 -0.000 -15.708) 15.708 14.536 ( -0.000 0.000 5.254) 5.254 14.536 ( -0.000 0.000 5.254) 5.254 17.490 ( 0.000 -0.000 -5.428) 5.428 17.490 ( 0.000 -0.000 -5.428) 5.428 19.585 ( -0.000 0.000 2.999) 2.999 21.241 ( 0.000 -0.000 -3.319) 3.319 ======================= Grid point 769 (264/670) ======================= q-point: ( 0.16 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( 25.092 14.487 12.973) 31.745 0.918 ( 29.262 16.895 11.557) 35.711 1.870 ( 18.061 10.428 65.655) 68.888 4.024 ( 1.057 0.610 -7.870) 7.964 4.088 ( 5.133 2.964 -6.517) 8.810 9.367 ( -2.430 -1.403 -17.759) 17.980 14.555 ( -0.671 -0.387 6.826) 6.870 14.576 ( 2.809 1.622 5.339) 6.247 17.394 ( -5.942 -3.431 -6.822) 9.676 17.928 ( 19.468 11.240 -30.506) 37.894 19.594 ( 0.278 0.161 2.605) 2.625 21.016 ( -11.736 -6.776 8.327) 15.906 ======================= Grid point 770 (265/670) ======================= q-point: ( 0.21 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( 27.210 15.710 12.142) 33.685 1.521 ( 19.696 11.371 19.712) 30.097 2.566 ( 23.589 13.619 47.447) 54.709 4.045 ( 3.350 1.934 -10.286) 10.989 4.293 ( 16.698 9.641 -7.816) 20.805 9.228 ( -4.773 -2.755 -18.660) 19.457 14.549 ( -1.818 -1.050 8.342) 8.603 14.695 ( 5.956 3.438 5.576) 8.853 17.181 ( -10.559 -6.096 -7.878) 14.516 18.052 ( 1.045 0.604 -23.013) 23.045 19.616 ( 1.103 0.637 0.022) 1.273 20.827 ( -7.719 -4.457 7.786) 11.835 ======================= Grid point 771 (266/670) ======================= q-point: ( 0.26 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( 15.342 8.858 15.953) 23.840 2.131 ( 25.827 14.911 13.659) 32.801 3.108 ( 11.577 6.684 41.070) 43.190 4.124 ( 7.119 4.110 -13.231) 15.576 4.878 ( 36.276 20.944 -7.425) 42.541 9.035 ( -6.966 -4.022 -18.098) 19.805 14.527 ( -2.450 -1.414 9.632) 10.039 14.878 ( 8.283 4.782 6.086) 11.336 16.870 ( -14.107 -8.145 -8.618) 18.429 17.908 ( -7.392 -4.268 -15.938) 18.080 19.633 ( 0.682 0.394 -3.386) 3.477 20.687 ( -6.907 -3.988 7.293) 10.807 ======================= Grid point 772 (267/670) ======================= q-point: ( 0.32 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.299 ( 9.573 5.527 2.315) 11.293 2.709 ( 19.762 11.410 15.192) 27.414 3.450 ( 9.293 5.366 44.981) 46.243 4.315 ( 14.218 8.209 -15.588) 22.639 5.815 ( 45.341 26.178 -7.827) 52.938 8.802 ( -8.690 -5.017 -15.402) 18.382 14.501 ( -2.445 -1.411 10.579) 10.949 15.103 ( 9.446 5.454 6.986) 12.953 16.492 ( -16.253 -9.384 -9.225) 20.912 17.637 ( -12.248 -7.072 -11.886) 18.475 19.621 ( -0.356 -0.206 -7.704) 7.715 20.552 ( -7.052 -4.071 9.067) 12.187 ======================= Grid point 773 (268/670) ======================= q-point: ( 0.37 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.415 ( 1.691 0.976 -7.318) 7.574 3.097 ( 10.191 5.884 13.096) 17.606 3.881 ( 16.036 9.259 47.184) 50.687 4.698 ( 23.125 13.351 -14.017) 30.158 6.813 ( 42.506 24.541 -13.594) 50.930 8.566 ( -7.427 -4.288 -8.079) 11.782 14.485 ( -1.873 -1.082 11.140) 11.348 15.342 ( 8.922 5.151 8.567) 13.399 16.083 ( -16.424 -9.482 -10.186) 21.527 17.281 ( -15.853 -9.152 -9.655) 20.695 19.568 ( -1.383 -0.799 -13.057) 13.154 20.424 ( -6.959 -4.018 12.698) 15.027 ======================= Grid point 774 (269/670) ======================= q-point: ( 0.42 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.366 ( -2.903 -1.676 -9.415) 9.994 3.279 ( 3.607 2.083 8.200) 9.198 4.458 ( 21.514 12.421 43.275) 49.898 5.248 ( 26.891 15.526 -9.388) 32.439 7.474 ( 14.392 8.309 -28.040) 32.595 8.579 ( 14.441 8.338 7.933) 18.466 14.487 ( -0.977 -0.564 11.298) 11.355 15.502 ( -2.698 -1.558 8.171) 8.745 15.744 ( -5.025 -2.901 -9.104) 10.796 16.858 ( -18.404 -10.626 -8.621) 22.933 19.479 ( -1.985 -1.146 -18.431) 18.573 20.318 ( -6.272 -3.621 16.865) 18.354 ======================= Grid point 775 (270/670) ======================= q-point: ( 0.47 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.252 ( -4.112 -2.374 -9.170) 10.326 3.342 ( 0.695 0.401 3.985) 4.065 5.113 ( 24.257 14.005 37.822) 47.064 5.823 ( 24.415 14.096 -5.148) 28.658 7.347 ( -12.139 -7.009 -25.525) 29.121 9.198 ( 30.737 17.746 7.397) 36.254 14.509 ( -0.168 -0.097 10.942) 10.944 15.234 ( -13.727 -7.925 -5.183) 16.676 15.838 ( 6.636 3.832 4.787) 9.036 16.400 ( -18.883 -10.902 -8.370) 23.356 19.371 ( -1.657 -0.957 -22.372) 22.453 20.243 ( -5.273 -3.044 20.011) 20.917 ======================= Grid point 776 (271/670) ======================= q-point: ( 0.53 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( -2.900 -1.674 -8.568) 9.199 3.349 ( -0.544 -0.314 0.926) 1.119 5.788 ( 24.877 14.363 32.265) 43.199 6.299 ( 17.465 10.083 -1.773) 20.244 6.899 ( -19.796 -11.429 -19.541) 30.072 9.859 ( 23.652 13.656 4.106) 27.618 14.539 ( -0.333 -0.192 9.571) 9.579 14.940 ( -9.703 -5.602 -7.577) 13.525 15.974 ( -15.050 -8.689 -8.164) 19.201 15.989 ( 4.566 2.636 7.495) 9.164 19.276 ( -0.087 -0.050 -24.494) 24.495 20.198 ( -4.362 -2.518 21.711) 22.288 ======================= Grid point 777 (272/670) ======================= q-point: ( 0.58 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.079 ( 0.041 0.024 -8.009) 8.009 3.328 ( -1.165 -0.672 -1.352) 1.907 6.289 ( -15.741 -9.088 -8.156) 19.922 6.492 ( 15.569 8.989 20.400) 27.191 6.587 ( 7.437 4.294 0.982) 8.644 10.246 ( 8.286 4.784 2.472) 9.882 14.532 ( -2.876 -1.660 6.102) 6.947 14.760 ( -3.483 -2.011 -8.879) 9.747 15.716 ( -4.324 -2.496 -6.578) 8.258 16.087 ( 1.763 1.018 9.023) 9.250 19.224 ( 2.488 1.436 -25.296) 25.459 20.176 ( -3.642 -2.103 22.434) 22.825 ======================= Grid point 778 (273/670) ======================= q-point: (-0.37 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.098 ( 3.713 2.144 -7.570) 8.700 3.289 ( -1.714 -0.990 -3.116) 3.691 5.676 ( -27.870 -16.091 -10.909) 33.980 6.635 ( -3.795 -2.191 3.137) 5.389 7.078 ( 22.541 13.014 22.301) 34.275 10.227 ( -10.633 -6.139 1.615) 12.384 14.447 ( -5.011 -2.893 1.777) 6.053 14.731 ( 3.389 1.956 -9.781) 10.535 15.756 ( 8.826 5.096 -4.239) 11.038 16.126 ( -0.915 -0.528 10.346) 10.400 19.235 ( 5.333 3.079 -25.241) 25.982 20.170 ( -2.966 -1.712 22.604) 22.862 ======================= Grid point 779 (274/670) ======================= q-point: (-0.32 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( 6.865 3.964 -7.414) 10.854 3.228 ( -2.637 -1.522 -4.485) 5.420 4.979 ( -30.437 -17.573 -6.448) 35.732 6.441 ( -13.816 -7.976 4.615) 16.607 7.631 ( 20.268 11.702 16.756) 28.783 9.789 ( -27.260 -15.739 1.246) 31.502 14.343 ( -3.893 -2.248 -0.231) 4.501 14.844 ( 8.751 5.052 -10.246) 14.390 16.050 ( 16.881 9.746 -3.735) 19.847 16.117 ( -2.611 -1.507 11.620) 12.005 19.307 ( 7.493 4.326 -24.416) 25.903 20.182 ( -2.070 -1.195 22.218) 22.347 ======================= Grid point 780 (275/670) ======================= q-point: (-0.26 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.353 ( 8.485 4.899 -8.133) 12.734 3.134 ( -4.442 -2.564 -5.453) 7.486 4.254 ( -31.693 -18.298 -0.896) 36.607 6.056 ( -20.594 -11.890 5.411) 24.388 8.103 ( 17.140 9.896 8.915) 21.706 9.032 ( -38.193 -22.051 3.141) 44.213 14.274 ( -2.042 -1.179 -0.584) 2.429 15.036 ( 9.778 5.645 -9.854) 14.986 16.100 ( -1.450 -0.837 12.341) 12.454 16.468 ( 20.086 11.597 -4.306) 23.589 19.416 ( 8.115 4.685 -22.431) 24.309 20.216 ( -0.661 -0.382 20.760) 20.774 ======================= Grid point 781 (276/670) ======================= q-point: (-0.21 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.512 ( 7.244 4.182 -12.061) 14.678 2.980 ( -7.774 -4.488 -5.850) 10.714 3.543 ( -30.664 -17.704 8.453) 36.403 5.565 ( -22.986 -13.271 5.485) 27.103 8.013 ( -40.932 -23.632 -9.895) 48.289 8.553 ( 10.478 6.049 16.111) 20.148 14.245 ( -0.376 -0.217 -0.389) 0.583 15.177 ( 3.757 2.169 -6.708) 7.988 16.168 ( 5.161 2.980 10.303) 11.903 16.920 ( 20.316 11.729 -4.967) 23.979 19.527 ( 6.883 3.974 -18.684) 20.304 20.283 ( 1.295 0.747 17.519) 17.583 ======================= Grid point 782 (277/670) ======================= q-point: (-0.16 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.494 ( -9.276 -5.355 -21.893) 24.373 2.727 ( -13.081 -7.552 -5.318) 16.013 3.013 ( -15.200 -8.776 25.129) 30.652 5.072 ( -20.753 -11.982 4.603) 24.401 6.950 ( -47.516 -27.434 -5.546) 55.147 8.860 ( 11.652 6.727 5.975) 14.722 14.253 ( 1.086 0.627 0.008) 1.254 15.155 ( -4.036 -2.330 -1.362) 4.856 16.401 ( 12.307 7.106 5.717) 15.318 17.354 ( 18.893 10.908 -5.620) 22.527 19.607 ( 4.470 2.581 -13.584) 14.532 20.382 ( 3.130 1.807 12.920) 13.416 ======================= Grid point 783 (278/670) ======================= q-point: (-0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( -24.097 -13.913 -5.238) 28.314 2.341 ( -19.378 -11.188 -3.680) 22.676 2.936 ( -3.537 -2.042 18.519) 18.964 4.667 ( -15.356 -8.866 2.652) 17.928 5.851 ( -45.991 -26.553 -5.847) 53.427 9.112 ( 9.507 5.489 0.224) 10.980 14.292 ( 2.225 1.285 0.580) 2.634 15.016 ( -7.608 -4.393 2.228) 9.063 16.728 ( 14.416 8.323 2.293) 16.803 17.742 ( 16.550 9.555 -6.822) 20.291 19.646 ( 1.971 1.138 -8.834) 9.123 20.500 ( 3.999 2.309 8.928) 10.052 ======================= Grid point 788 (279/670) ======================= q-point: ( 0.16 0.16 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.735 ( -0.000 25.334 10.588) 27.458 1.000 ( -0.000 29.289 18.658) 34.727 2.119 ( -0.000 23.586 65.203) 69.338 4.009 ( 0.000 2.395 -9.543) 9.840 4.051 ( 0.000 3.778 -6.786) 7.767 9.310 ( 0.000 -2.343 -20.118) 20.254 14.537 ( -0.000 -2.477 6.338) 6.805 14.633 ( -0.000 4.928 7.318) 8.823 17.411 ( 0.000 -4.993 -6.391) 8.110 17.798 ( 0.000 19.285 -28.322) 34.264 19.600 ( -0.000 -0.407 3.115) 3.142 21.042 ( -0.000 -11.857 5.630) 13.126 ======================= Grid point 789 (280/670) ======================= q-point: ( 0.21 0.16 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( 21.681 21.551 9.834) 32.113 1.445 ( 12.360 19.948 22.639) 32.608 2.663 ( 9.374 27.992 54.514) 61.993 4.012 ( 0.491 4.682 -11.151) 12.104 4.148 ( 8.495 8.707 -8.843) 15.039 9.198 ( -2.402 -3.152 -21.234) 21.600 14.543 ( 1.157 -3.437 7.602) 8.422 14.721 ( 0.995 7.026 7.622) 10.414 17.250 ( -7.747 -7.140 -7.691) 13.044 17.919 ( 5.859 3.392 -25.791) 26.664 19.606 ( 0.430 -0.577 1.519) 1.681 20.909 ( -5.119 -7.187 6.555) 10.992 ======================= Grid point 790 (281/670) ======================= q-point: ( 0.26 0.16 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( 24.398 16.246 14.994) 32.924 1.893 ( 12.839 13.238 17.983) 25.759 3.208 ( 6.815 17.422 45.610) 49.298 4.059 ( 2.585 7.488 -12.856) 15.100 4.551 ( 25.038 23.553 -9.428) 35.644 9.036 ( -4.707 -3.806 -20.819) 21.681 14.546 ( 0.236 -3.907 9.392) 10.174 14.862 ( 3.849 8.341 7.442) 11.822 16.975 ( -11.456 -9.510 -8.622) 17.205 17.875 ( -1.040 -5.190 -19.655) 20.355 19.608 ( 0.704 -1.427 -1.678) 2.312 20.779 ( -5.834 -4.403 6.719) 9.928 ======================= Grid point 791 (282/670) ======================= q-point: ( 0.32 0.16 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.222 ( 8.488 7.224 9.594) 14.706 2.483 ( 23.239 11.261 15.795) 30.271 3.552 ( 4.649 9.625 42.444) 43.769 4.191 ( 7.082 12.729 -14.313) 20.422 5.370 ( 37.485 33.148 -7.973) 50.671 8.836 ( -6.712 -4.175 -18.384) 20.011 14.534 ( -0.729 -3.905 10.782) 11.491 15.060 ( 6.435 8.625 7.602) 13.175 16.625 ( -14.109 -10.853 -9.112) 19.997 17.680 ( -6.797 -8.938 -14.979) 18.720 19.585 ( 0.259 -2.806 -5.845) 6.489 20.659 ( -6.395 -3.232 8.141) 10.846 ======================= Grid point 792 (283/670) ======================= q-point: ( 0.37 0.16 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.373 ( 2.778 1.903 -2.456) 4.168 2.956 ( 16.176 4.008 16.462) 23.425 3.897 ( 10.240 9.583 42.344) 44.606 4.501 ( 14.870 20.900 -12.125) 28.371 6.344 ( 39.361 32.038 -11.348) 52.005 8.623 ( -7.203 -3.389 -12.498) 14.818 14.514 ( -0.869 -4.202 11.578) 12.348 15.292 ( 7.744 8.262 8.247) 14.009 16.231 ( -15.647 -10.640 -9.439) 21.145 17.383 ( -11.304 -10.925 -12.042) 19.803 19.523 ( -0.497 -4.044 -10.757) 11.503 20.547 ( -6.745 -2.618 11.000) 13.166 ======================= Grid point 793 (284/670) ======================= q-point: ( 0.42 0.16 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.362 ( -1.587 -1.453 -8.004) 8.288 3.213 ( 7.819 -1.125 11.168) 13.679 4.369 ( 17.716 10.663 40.588) 45.551 5.020 ( 20.512 26.116 -6.905) 33.918 7.166 ( 26.647 20.188 -22.630) 40.370 8.523 ( 2.105 4.030 0.893) 4.634 14.494 ( -0.104 -5.585 11.694) 12.960 15.528 ( 6.632 7.489 9.779) 13.989 15.835 ( -15.007 -8.446 -10.211) 20.020 17.007 ( -15.009 -11.850 -10.409) 21.772 19.424 ( -1.072 -4.570 -15.781) 16.464 20.447 ( -6.523 -2.320 14.496) 16.065 ======================= Grid point 794 (285/670) ======================= q-point: ( 0.47 0.16 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.266 ( -3.562 -2.437 -9.600) 10.526 3.306 ( 3.392 -3.259 5.720) 7.406 4.949 ( 22.624 11.112 37.153) 44.896 5.627 ( 20.345 26.344 -2.685) 33.394 7.359 ( -3.297 -0.631 -28.168) 28.367 8.912 ( 25.028 17.832 8.915) 31.998 14.469 ( 1.418 -9.062 10.711) 14.101 15.451 ( -16.533 -1.349 -5.672) 17.531 15.770 ( 7.595 4.125 6.549) 10.844 16.579 ( -17.443 -11.243 -9.700) 22.907 19.305 ( -1.053 -4.012 -19.977) 20.403 20.368 ( -5.728 -2.404 17.595) 18.659 ======================= Grid point 795 (286/670) ======================= q-point: ( 0.53 0.16 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( -3.454 -1.762 -9.852) 10.587 3.321 ( 1.605 -4.100 2.039) 4.852 5.577 ( 24.914 10.468 32.119) 41.975 6.185 ( 15.249 23.132 0.702) 27.715 7.051 ( -15.753 -7.220 -21.916) 27.939 9.578 ( 26.660 15.502 5.819) 31.384 14.421 ( 3.234 -14.718 7.633) 16.893 15.180 ( -14.944 5.914 -5.420) 16.961 15.940 ( 4.716 1.069 7.560) 8.974 16.156 ( -16.024 -6.470 -8.208) 19.131 19.194 ( -0.142 -2.332 -22.823) 22.943 20.312 ( -4.622 -2.837 19.749) 20.481 ======================= Grid point 796 (287/670) ======================= q-point: ( 0.58 0.16 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( -1.531 0.023 -9.722) 9.842 3.301 ( 0.861 -4.482 -0.445) 4.586 6.188 ( 23.913 8.221 24.458) 35.180 6.477 ( -9.725 -4.577 -7.438) 13.070 6.704 ( -3.986 13.883 -2.947) 14.742 10.089 ( 16.857 6.438 3.643) 18.409 14.337 ( 4.824 -18.746 2.814) 19.560 15.021 ( -12.812 11.971 -3.853) 17.953 15.788 ( -9.629 -3.880 -7.958) 13.081 16.101 ( 1.930 2.825 9.245) 9.857 19.121 ( 1.671 0.135 -24.360) 24.418 20.275 ( -3.458 -3.402 20.991) 21.544 ======================= Grid point 797 (288/670) ======================= q-point: (-0.37 0.16 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( 1.653 2.303 -9.523) 9.936 3.262 ( 0.395 -4.700 -2.175) 5.194 5.954 ( -25.424 -13.812 -10.057) 30.632 6.642 ( 9.238 4.040 8.960) 13.489 6.985 ( 10.278 17.612 16.969) 26.529 10.266 ( 0.732 -4.462 2.551) 5.191 14.249 ( 6.380 -18.546 -0.511) 19.619 14.933 ( -10.723 14.160 -5.531) 18.603 15.695 ( 1.662 4.174 -5.836) 7.365 16.168 ( 0.030 0.870 10.558) 10.594 19.108 ( 4.029 2.786 -24.826) 25.305 20.256 ( -2.355 -3.820 21.531) 21.994 ======================= Grid point 798 (289/670) ======================= q-point: (-0.32 0.16 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( 5.041 4.314 -9.464) 11.558 3.207 ( -0.286 -4.964 -3.330) 5.985 5.316 ( -29.221 -14.844 -5.014) 33.157 6.646 ( -11.331 1.288 4.120) 12.125 7.459 ( 18.662 11.881 17.378) 28.132 10.037 ( -17.285 -13.583 2.135) 22.087 14.193 ( 7.149 -15.481 -1.131) 17.090 14.919 ( -5.187 15.631 -8.077) 18.344 15.867 ( 11.891 7.793 -4.014) 14.773 16.188 ( -1.769 0.227 10.982) 11.126 19.159 ( 6.277 4.950 -24.385) 25.662 20.253 ( -1.294 -3.882 21.463) 21.849 ======================= Grid point 799 (290/670) ======================= q-point: (-0.26 0.16 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.238 ( 7.425 5.380 -9.972) 13.547 3.129 ( -1.658 -5.536 -3.870) 6.956 4.638 ( -31.526 -14.742 0.912) 34.814 6.359 ( -21.452 -3.352 4.372) 22.148 7.923 ( 17.865 8.786 10.238) 22.387 9.450 ( -31.992 -18.819 3.144) 37.249 14.177 ( 6.103 -10.785 -0.225) 12.394 15.013 ( 1.190 14.674 -9.234) 17.379 16.111 ( 4.613 -2.146 7.471) 9.039 16.275 ( 11.215 10.624 -0.237) 15.450 19.263 ( 7.659 6.115 -23.008) 25.009 20.269 ( -0.134 -3.496 20.630) 20.925 ======================= Grid point 800 (291/670) ======================= q-point: (-0.21 0.16 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.389 ( 7.503 4.831 -12.117) 15.048 3.009 ( -4.248 -6.637 -3.380) 8.574 3.964 ( -31.915 -12.994 8.589) 35.513 5.904 ( -26.244 -6.773 4.242) 27.434 8.242 ( 2.310 1.148 -8.954) 9.319 8.685 ( -28.931 -15.373 15.956) 36.440 14.183 ( 4.390 -6.308 0.826) 7.729 15.156 ( 2.597 10.511 -8.019) 13.474 16.143 ( 2.371 -2.005 10.597) 11.042 16.670 ( 19.531 11.295 -5.062) 23.123 19.389 ( 7.602 6.073 -20.429) 22.628 20.309 ( 1.290 -2.676 18.650) 18.885 ======================= Grid point 801 (292/670) ======================= q-point: (-0.16 0.16 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.458 ( 0.214 -0.885 -16.429) 16.454 2.833 ( -7.281 -5.753 -2.101) 9.514 3.379 ( -27.018 -8.589 19.700) 34.523 5.385 ( -25.980 -8.078 3.315) 27.408 7.522 ( -47.139 -19.162 -8.289) 51.555 8.729 ( 11.741 3.449 9.068) 15.231 14.208 ( 3.442 -2.999 1.630) 4.847 15.215 ( -2.824 4.097 -3.342) 5.994 16.271 ( 9.869 1.727 6.576) 11.984 17.101 ( 20.052 9.850 -6.010) 23.135 19.506 ( 6.051 4.994 -16.477) 18.250 20.377 ( 2.907 -1.603 15.324) 15.679 ======================= Grid point 802 (293/670) ======================= q-point: (-0.11 0.16 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( -16.620 -11.226 -5.958) 20.922 2.609 ( -16.298 -1.397 -7.091) 17.829 3.073 ( -9.658 -3.239 25.963) 27.890 4.904 ( -21.245 -7.381 1.355) 22.531 6.457 ( -51.416 -17.760 -6.255) 54.756 8.977 ( 11.139 2.893 0.881) 11.542 14.253 ( 3.299 -0.784 2.332) 4.116 15.131 ( -7.823 -0.441 1.352) 7.952 16.536 ( 15.269 3.730 2.012) 15.846 17.504 ( 18.610 8.168 -7.112) 21.532 19.588 ( 3.639 3.427 -11.793) 12.809 20.469 ( 4.226 -0.671 11.443) 12.217 ======================= Grid point 808 (294/670) ======================= q-point: ( 0.21 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( -0.000 28.458 8.609) 29.732 1.627 ( -0.000 19.592 28.208) 34.344 3.053 ( -0.000 29.091 51.408) 59.068 4.064 ( 0.000 14.214 -15.144) 20.770 4.113 ( 0.000 7.287 -8.015) 10.833 9.117 ( 0.000 -3.340 -22.536) 22.782 14.524 ( -0.000 -3.153 7.926) 8.530 14.812 ( -0.000 7.816 8.620) 11.636 17.217 ( 0.000 -10.088 -7.363) 12.490 17.812 ( 0.000 1.096 -24.902) 24.926 19.595 ( -0.000 -1.974 0.957) 2.194 20.899 ( -0.000 -6.637 5.867) 8.859 ======================= Grid point 809 (295/670) ======================= q-point: ( 0.26 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.770 ( 13.903 24.289 9.900) 29.686 1.944 ( 5.732 14.064 26.774) 30.781 3.452 ( 1.666 15.000 42.626) 45.219 4.116 ( -2.027 13.326 -11.116) 17.472 4.419 ( 16.789 29.871 -10.202) 35.752 8.994 ( -2.361 -3.306 -22.291) 22.658 14.526 ( 0.695 -3.455 9.204) 9.856 14.932 ( 1.369 8.774 8.665) 12.407 17.013 ( -7.559 -11.543 -8.257) 16.080 17.743 ( 1.788 -5.857 -20.999) 21.874 19.570 ( 0.316 -3.609 -1.330) 3.860 20.834 ( -3.121 -4.239 6.202) 8.135 ======================= Grid point 810 (296/670) ======================= q-point: ( 0.32 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.217 ( 5.315 8.075 13.522) 16.623 2.299 ( 18.082 15.805 16.668) 29.234 3.700 ( 2.670 7.573 34.216) 35.146 4.230 ( 2.081 17.550 -9.151) 19.902 5.152 ( 27.522 41.042 -6.463) 49.836 8.836 ( -4.515 -2.955 -20.081) 20.794 14.529 ( 0.196 -3.959 10.753) 11.460 15.090 ( 3.609 9.096 8.302) 12.833 16.702 ( -11.328 -12.170 -8.839) 18.830 17.605 ( -1.735 -10.436 -16.878) 19.919 19.522 ( 0.322 -5.497 -4.781) 7.293 20.753 ( -4.816 -2.410 7.410) 9.160 ======================= Grid point 811 (297/670) ======================= q-point: ( 0.37 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.348 ( 1.978 1.256 2.457) 3.395 2.773 ( 16.342 7.085 17.527) 24.989 3.957 ( 6.726 9.056 30.149) 32.190 4.510 ( 8.831 25.062 -3.731) 26.833 6.051 ( 31.650 39.308 -9.076) 51.276 8.666 ( -5.713 -1.643 -14.938) 16.077 14.516 ( -0.752 -4.920 11.833) 12.838 15.284 ( 5.902 8.338 7.975) 12.960 16.344 ( -13.307 -11.077 -8.723) 19.387 17.375 ( -6.085 -12.678 -13.756) 19.672 19.441 ( -0.006 -7.098 -8.856) 11.349 20.668 ( -5.890 -1.391 9.454) 11.225 ======================= Grid point 812 (298/670) ======================= q-point: ( 0.42 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.343 ( -0.760 -2.440 -5.425) 5.997 3.081 ( 10.112 -0.907 14.074) 17.354 4.320 ( 13.034 11.843 29.593) 34.437 4.997 ( 15.161 30.643 0.874) 34.200 6.878 ( 26.714 28.750 -17.790) 43.090 8.560 ( -1.930 3.818 -4.311) 6.073 14.475 ( -1.383 -7.357 11.858) 14.023 15.499 ( 7.481 6.214 7.422) 12.234 15.989 ( -14.201 -6.795 -7.406) 17.398 17.065 ( -10.138 -13.305 -11.708) 20.418 19.329 ( -0.296 -7.778 -13.052) 15.197 20.583 ( -6.401 -1.096 11.973) 13.621 ======================= Grid point 813 (299/670) ======================= q-point: ( 0.47 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.260 ( -2.335 -3.390 -9.114) 10.001 3.210 ( 5.109 -4.911 8.425) 11.009 4.812 ( 18.542 12.572 30.663) 37.974 5.602 ( 17.379 32.091 2.534) 36.582 7.283 ( 5.552 7.911 -27.401) 29.055 8.767 ( 14.813 16.596 7.706) 23.543 14.391 ( -1.357 -11.948 10.208) 15.773 15.636 ( -3.667 -3.745 -5.811) 7.825 15.758 ( -2.572 7.539 7.807) 11.153 16.700 ( -13.403 -12.013 -10.514) 20.845 19.203 ( -0.143 -7.127 -16.860) 18.305 20.502 ( -6.285 -1.507 14.483) 15.859 ======================= Grid point 814 (300/670) ======================= q-point: ( 0.53 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.154 ( -2.744 -2.460 -10.599) 11.221 3.237 ( 2.829 -6.540 4.254) 8.299 5.375 ( 21.677 11.641 29.165) 38.158 6.205 ( 14.676 29.873 3.721) 33.490 7.153 ( -10.190 -2.776 -24.147) 26.356 9.324 ( 23.281 17.250 7.465) 29.922 14.256 ( -0.426 -17.056 6.743) 18.346 15.451 ( -11.162 4.579 -4.990) 13.056 15.903 ( 4.194 2.755 9.025) 10.326 16.326 ( -14.173 -6.965 -8.894) 18.124 19.087 ( 0.671 -5.061 -19.884) 20.529 20.429 ( -5.571 -2.517 16.630) 17.718 ======================= Grid point 815 (301/670) ======================= q-point: ( 0.58 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.064 ( -1.871 -0.325 -11.072) 11.234 3.216 ( 2.021 -7.293 1.521) 7.719 5.950 ( 22.543 9.896 25.043) 35.118 6.597 ( -4.475 7.002 -2.126) 8.577 6.898 ( -4.746 12.697 -10.434) 17.105 9.853 ( 19.547 8.120 5.110) 21.774 14.096 ( 1.705 -19.582 2.791) 19.853 15.325 ( -10.749 9.529 -2.774) 14.630 15.883 ( -7.436 -4.404 -4.494) 9.741 16.152 ( -1.781 3.965 5.449) 6.970 19.010 ( 2.097 -1.877 -21.935) 22.115 20.366 ( -4.371 -3.844 18.259) 19.164 ======================= Grid point 816 (302/670) ======================= q-point: ( 0.63 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.024 ( 0.246 2.342 -11.103) 11.349 3.176 ( 1.759 -7.612 -0.255) 7.817 6.213 ( -22.089 -10.288 -9.378) 26.110 6.481 ( 18.867 7.805 18.584) 27.609 7.142 ( 1.387 22.491 5.557) 23.209 10.145 ( 9.215 -3.114 3.621) 10.379 13.961 ( 4.738 -18.983 -0.121) 19.566 15.235 ( -10.703 11.144 -3.948) 15.948 15.737 ( -3.934 3.108 -6.175) 7.954 16.212 ( 0.226 2.340 9.779) 10.057 18.990 ( 3.870 1.746 -22.989) 23.378 20.317 ( -2.858 -5.087 19.324) 20.185 ======================= Grid point 817 (303/670) ======================= q-point: (-0.32 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.053 ( 3.064 4.741 -11.012) 12.374 3.126 ( 1.437 -7.654 -1.285) 7.893 5.652 ( -27.047 -11.761 -4.589) 29.848 6.809 ( 2.403 6.820 8.641) 11.267 7.398 ( 6.371 14.698 11.604) 19.781 10.113 ( -5.477 -12.080 2.946) 13.586 13.892 ( 7.989 -16.271 -1.298) 18.173 15.169 ( -8.509 13.288 -6.488) 17.061 15.785 ( 4.774 7.172 -3.998) 9.498 16.250 ( -1.072 0.886 10.214) 10.308 19.034 ( 5.620 4.935 -23.120) 24.300 20.288 ( -1.252 -5.879 19.788) 20.681 ======================= Grid point 818 (304/670) ======================= q-point: (-0.26 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.149 ( 5.586 6.175 -11.135) 13.904 3.064 ( 0.546 -7.559 -1.544) 7.735 5.038 ( -29.908 -11.718 1.194) 32.144 6.729 ( -18.343 4.086 4.042) 19.222 7.744 ( 15.295 8.086 9.750) 19.859 9.747 ( -21.102 -16.487 3.315) 26.983 13.905 ( 10.332 -12.427 -0.655) 16.174 15.175 ( -4.557 14.717 -7.867) 17.299 15.977 ( 9.784 4.095 -0.882) 10.643 16.279 ( 0.605 3.092 7.643) 8.267 19.132 ( 6.951 7.001 -22.390) 24.467 20.282 ( 0.269 -6.043 19.557) 20.471 ======================= Grid point 819 (305/670) ======================= q-point: (-0.21 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.284 ( 6.577 6.235 -11.942) 14.992 2.980 ( -1.366 -7.416 -0.759) 7.578 4.416 ( -30.999 -10.322 7.805) 33.592 6.349 ( -27.886 -0.434 3.017) 28.052 8.090 ( 14.133 4.493 0.157) 14.831 9.122 ( -32.517 -16.578 7.085) 37.180 13.982 ( 10.091 -8.437 1.091) 13.199 15.244 ( -1.325 13.464 -8.075) 15.756 16.098 ( 3.232 -3.939 7.678) 9.214 16.472 ( 13.403 9.470 -1.908) 16.522 19.264 ( 7.446 7.680 -20.733) 23.330 20.300 ( 1.682 -5.616 18.451) 19.360 ======================= Grid point 820 (306/670) ======================= q-point: (-0.16 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.395 ( 3.478 4.163 -13.245) 14.313 2.864 ( -3.870 -6.456 1.007) 7.594 3.841 ( -29.137 -7.420 15.703) 33.920 5.823 ( -30.701 -3.697 1.820) 30.976 8.051 ( -28.899 -7.787 -15.342) 33.633 8.634 ( -0.939 -4.306 16.410) 16.992 14.079 ( 7.882 -4.809 2.880) 9.672 15.312 ( -2.481 8.907 -5.486) 10.751 16.147 ( 5.945 -3.197 6.818) 9.595 16.839 ( 18.744 8.538 -4.773) 21.142 19.401 ( 6.785 7.099 -17.963) 20.472 20.343 ( 3.082 -4.767 16.268) 17.230 ======================= Grid point 821 (307/670) ======================= q-point: (-0.11 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.340 ( -8.886 -1.217 -6.773) 11.239 2.746 ( -4.908 -2.016 -3.208) 6.200 3.400 ( -21.881 -4.000 24.725) 33.258 5.268 ( -28.254 -5.042 -0.287) 28.702 7.182 ( -49.838 -9.546 -7.705) 51.326 8.797 ( 11.655 -0.308 2.834) 11.999 14.173 ( 5.768 -1.902 4.225) 7.399 15.278 ( -7.286 3.185 -0.434) 7.964 16.308 ( 13.179 -0.768 1.689) 13.309 17.229 ( 19.433 6.581 -5.975) 21.369 19.518 ( 5.025 5.664 -14.128) 16.029 20.411 ( 4.423 -3.754 13.154) 14.376 ======================= Grid point 828 (308/670) ======================= q-point: ( 0.26 0.26 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( -0.000 26.127 9.148) 27.682 2.113 ( -0.000 10.732 27.020) 29.073 3.659 ( -0.000 6.848 31.899) 32.626 4.251 ( 0.000 12.593 -9.475) 15.760 4.614 ( 0.000 46.995 -3.958) 47.162 8.915 ( 0.000 -2.510 -22.266) 22.407 14.518 ( -0.000 -2.788 9.785) 10.174 15.034 ( -0.000 8.442 9.041) 12.369 16.932 ( 0.000 -13.381 -8.208) 15.698 17.592 ( 0.000 -8.329 -19.886) 21.560 19.515 ( 0.000 -5.952 -2.455) 6.438 20.843 ( -0.000 -2.923 6.261) 6.909 ======================= Grid point 829 (309/670) ======================= q-point: ( 0.32 0.26 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( 2.736 9.348 11.627) 15.168 2.299 ( 7.388 15.286 18.150) 24.853 3.829 ( 1.514 7.966 27.552) 28.720 4.367 ( 0.785 18.078 -8.027) 19.796 5.228 ( 13.916 49.402 -1.431) 51.345 8.810 ( -2.229 -1.329 -20.351) 20.516 14.526 ( 0.077 -2.750 10.892) 11.234 15.155 ( 1.707 7.576 8.668) 11.638 16.708 ( -6.829 -13.201 -8.598) 17.171 17.445 ( 0.728 -11.951 -17.092) 20.868 19.435 ( 0.163 -8.159 -4.682) 9.409 20.820 ( -2.499 -1.352 6.961) 7.518 ======================= Grid point 830 (310/670) ======================= q-point: ( 0.37 0.26 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.339 ( 0.503 -2.078 5.848) 6.227 2.675 ( 11.242 11.369 14.759) 21.759 4.053 ( 3.559 12.066 25.046) 28.027 4.624 ( 6.712 24.793 -1.869) 25.753 5.997 ( 20.668 45.387 -5.593) 50.184 8.695 ( -3.774 0.802 -15.768) 16.233 14.524 ( -1.011 -3.777 11.931) 12.555 15.295 ( 3.975 5.558 7.703) 10.297 16.412 ( -10.093 -10.651 -8.197) 16.807 17.260 ( -1.560 -14.369 -14.310) 20.339 19.329 ( 0.159 -9.844 -7.533) 12.396 20.776 ( -4.353 -0.306 8.143) 9.239 ======================= Grid point 831 (311/670) ======================= q-point: ( 0.42 0.26 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( -0.443 -5.398 -2.492) 5.962 2.963 ( 8.777 2.256 13.670) 16.401 4.359 ( 7.639 15.516 24.028) 29.605 5.071 ( 12.788 30.079 3.119) 32.834 6.737 ( 20.221 34.749 -13.852) 42.523 8.629 ( -2.313 6.093 -6.884) 9.479 14.478 ( -2.936 -6.870 11.894) 14.045 15.443 ( 6.149 1.879 5.951) 8.761 16.129 ( -10.781 -4.394 -5.799) 13.006 17.017 ( -4.927 -14.894 -12.197) 19.871 19.202 ( 0.161 -10.537 -10.596) 14.945 20.716 ( -5.657 -0.031 9.629) 11.168 ======================= Grid point 832 (312/670) ======================= q-point: ( 0.47 0.26 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.217 ( -0.879 -5.874 -7.477) 9.548 3.106 ( 4.848 -3.653 9.956) 11.660 4.772 ( 12.712 16.185 26.105) 33.242 5.650 ( 16.292 32.619 3.864) 36.666 7.192 ( 8.284 15.649 -23.764) 29.635 8.767 ( 7.149 16.637 4.694) 18.706 14.352 ( -4.574 -12.219 9.866) 16.358 15.559 ( 5.401 -2.514 1.902) 6.254 15.951 ( -8.200 4.537 0.553) 9.388 16.728 ( -8.109 -12.970 -10.695) 18.664 19.067 ( 0.518 -9.879 -13.550) 16.777 20.642 ( -6.384 -0.547 11.245) 12.942 ======================= Grid point 833 (313/670) ======================= q-point: ( 0.53 0.26 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( -0.935 -4.376 -10.185) 11.124 3.138 ( 2.423 -6.624 6.433) 9.547 5.261 ( 16.525 14.469 26.876) 34.710 6.269 ( 15.826 32.404 3.627) 36.244 7.204 ( -5.572 1.961 -24.593) 25.293 9.189 ( 15.941 19.041 7.917) 26.064 14.149 ( -4.564 -17.177 6.409) 18.893 15.578 ( -1.290 0.470 -1.794) 2.259 15.936 ( -1.614 4.031 6.252) 7.612 16.437 ( -9.730 -6.895 -8.612) 14.710 18.948 ( 1.493 -7.730 -16.123) 17.943 20.557 ( -6.463 -1.764 12.848) 14.490 ======================= Grid point 834 (314/670) ======================= q-point: ( 0.58 0.26 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( -0.559 -1.532 -11.483) 11.598 3.112 ( 1.593 -8.249 3.909) 9.266 5.778 ( 18.804 11.754 24.899) 33.343 6.751 ( -0.747 15.067 0.182) 15.086 7.036 ( -1.500 12.372 -16.153) 20.402 9.647 ( 16.148 10.118 6.457) 20.120 13.918 ( -2.441 -19.245 3.079) 19.642 15.541 ( -5.737 5.668 -1.502) 8.203 15.923 ( -3.091 -3.316 0.124) 4.535 16.265 ( -5.330 3.475 0.070) 6.363 18.873 ( 3.035 -4.246 -18.106) 18.843 20.467 ( -5.821 -3.459 14.339) 15.857 ======================= Grid point 835 (315/670) ======================= q-point: ( 0.63 0.26 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( 0.417 1.944 -11.910) 12.075 3.062 ( 1.702 -9.154 2.213) 9.570 6.271 ( 16.828 7.178 17.519) 25.330 6.487 ( -17.670 -4.429 -5.653) 19.074 7.360 ( 4.143 27.541 -0.579) 27.857 9.946 ( 11.395 -2.041 4.881) 12.563 13.722 ( 1.252 -18.463 0.665) 18.517 15.480 ( -8.052 7.336 -2.897) 11.271 15.822 ( -4.321 1.512 -4.276) 6.265 16.276 ( -1.219 4.002 7.081) 8.224 18.860 ( 4.726 0.019 -19.403) 19.971 20.381 ( -4.438 -5.271 15.639) 17.090 ======================= Grid point 836 (316/670) ======================= q-point: (-0.32 0.26 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( 1.981 5.150 -11.843) 13.065 3.008 ( 2.094 -9.428 1.207) 9.733 5.980 ( -24.360 -8.265 -5.265) 26.257 6.740 ( 15.478 6.845 16.013) 23.299 7.605 ( -4.277 21.562 1.775) 22.054 10.018 ( 3.270 -11.554 3.857) 12.612 13.610 ( 5.616 -15.662 -0.581) 16.649 15.409 ( -7.858 9.670 -5.612) 13.666 15.808 ( -0.423 5.830 -2.939) 6.543 16.311 ( -1.196 1.839 8.536) 8.814 18.913 ( 6.063 4.135 -20.066) 21.366 20.312 ( -2.467 -6.779 16.648) 18.144 ======================= Grid point 837 (317/670) ======================= q-point: (-0.26 0.26 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.101 ( 3.748 7.277 -11.624) 14.217 2.956 ( 2.138 -9.063 0.914) 9.356 5.438 ( -27.897 -8.456 0.404) 29.153 6.997 ( -0.718 6.109 8.372) 10.389 7.706 ( -0.775 11.637 3.580) 12.200 9.853 ( -8.299 -15.283 3.685) 17.777 13.606 ( 9.832 -11.668 -0.452) 15.265 15.379 ( -5.884 11.983 -6.987) 15.067 15.894 ( 4.530 4.709 -1.363) 6.674 16.329 ( -0.964 1.267 7.790) 7.951 19.019 ( 6.839 7.179 -20.174) 22.479 20.269 ( -0.279 -7.647 17.206) 18.831 ======================= Grid point 838 (318/670) ======================= q-point: (-0.21 0.26 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( 4.980 7.988 -11.572) 14.917 2.905 ( 1.290 -8.090 1.493) 8.327 4.871 ( -29.728 -7.512 6.517) 31.347 6.837 ( -23.889 3.923 3.088) 24.405 7.895 ( 11.724 3.896 0.727) 12.376 9.461 ( -21.583 -14.152 5.056) 26.300 13.706 ( 12.418 -7.612 0.998) 14.600 15.396 ( -3.708 12.351 -7.489) 14.913 16.009 ( 5.096 -1.428 2.956) 6.062 16.391 ( 4.752 4.295 2.997) 7.072 19.158 ( 7.107 8.680 -19.659) 22.635 20.258 ( 1.703 -7.774 17.108) 18.868 ======================= Grid point 839 (319/670) ======================= q-point: (-0.16 0.26 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.344 ( 4.470 7.487 -11.716) 14.605 2.845 ( -0.660 -6.508 3.068) 7.225 4.325 ( -29.443 -5.551 13.255) 32.763 6.360 ( -32.684 -0.202 0.930) 32.698 8.107 ( 8.252 0.964 -10.357) 13.278 8.906 ( -28.363 -10.608 11.061) 32.239 13.869 ( 12.037 -4.205 3.185) 13.142 15.437 ( -2.864 10.531 -6.680) 12.796 16.046 ( 3.121 -5.719 6.088) 8.917 16.613 ( 14.118 5.830 -2.307) 15.448 19.306 ( 6.813 8.688 -18.290) 21.364 20.278 ( 3.297 -7.293 16.153) 18.027 ======================= Grid point 840 (320/670) ======================= q-point: (-0.11 0.26 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.422 ( -0.408 6.402 -9.835) 11.743 2.775 ( -2.542 -4.007 3.982) 6.194 3.852 ( -26.155 -3.128 20.738) 33.525 5.765 ( -33.768 -2.645 -1.235) 33.894 7.856 ( -34.731 -1.638 -14.614) 37.716 8.629 ( 3.770 -4.776 9.783) 11.521 14.041 ( 9.463 -1.486 5.306) 10.950 15.435 ( -6.024 6.023 -2.522) 8.883 16.097 ( 8.481 -4.841 2.254) 10.022 16.939 ( 18.397 4.217 -4.312) 19.361 19.443 ( 5.772 7.556 -15.867) 18.498 20.326 ( 4.602 -6.437 14.260) 16.309 ======================= Grid point 848 (321/670) ======================= q-point: ( 0.32 0.32 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.329 ( -0.000 -2.395 14.429) 14.626 2.459 ( -0.000 19.468 9.750) 21.773 4.003 ( -0.000 12.376 28.849) 31.392 4.512 ( 0.000 20.349 -10.469) 22.884 5.620 ( -0.000 51.496 0.637) 51.500 8.764 ( 0.000 0.828 -18.821) 18.839 14.539 ( -0.000 -1.729 11.371) 11.501 15.229 ( -0.000 4.727 8.356) 9.600 16.613 ( 0.000 -12.468 -8.404) 15.036 17.256 ( 0.000 -14.081 -15.793) 21.159 19.326 ( 0.000 -10.472 -5.448) 11.804 20.855 ( -0.000 -0.203 6.879) 6.882 ======================= Grid point 849 (322/670) ======================= q-point: ( 0.37 0.32 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.311 ( -0.130 -7.347 6.328) 9.698 2.702 ( 4.743 13.231 10.720) 17.677 4.242 ( 0.491 16.141 28.326) 32.606 4.750 ( 5.435 25.228 -6.640) 26.647 6.197 ( 8.913 47.509 -3.443) 48.460 8.718 ( -1.722 4.092 -14.793) 15.445 14.552 ( -1.113 -1.906 12.013) 12.214 15.297 ( 2.140 0.376 7.041) 7.369 16.428 ( -5.664 -8.498 -7.609) 12.735 17.068 ( 0.740 -16.175 -13.701) 21.211 19.195 ( 0.143 -12.088 -6.817) 13.878 20.859 ( -2.302 0.621 7.116) 7.505 ======================= Grid point 850 (323/670) ======================= q-point: ( 0.42 0.32 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.230 ( -0.166 -9.520 -0.461) 9.532 2.920 ( 5.192 5.490 10.875) 13.242 4.518 ( 2.485 18.635 24.813) 31.131 5.159 ( 11.555 29.034 -0.161) 31.249 6.786 ( 11.434 37.256 -11.342) 40.588 8.718 ( -1.413 10.132 -7.233) 12.528 14.516 ( -4.103 -5.011 11.803) 13.463 15.356 ( 4.913 -4.014 4.894) 8.013 16.237 ( -7.483 -1.867 -4.963) 9.171 16.869 ( -0.515 -16.481 -11.783) 20.266 19.052 ( 0.350 -12.673 -8.527) 15.278 20.833 ( -4.263 0.826 7.594) 8.748 ======================= Grid point 851 (324/670) ======================= q-point: ( 0.47 0.32 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.126 ( 0.287 -9.361 -5.075) 10.652 3.046 ( 3.031 -0.660 9.241) 9.748 4.860 ( 6.626 18.838 24.651) 31.724 5.700 ( 15.809 31.116 1.601) 34.938 7.183 ( 5.516 20.353 -20.034) 29.087 8.867 ( 3.394 19.200 2.294) 19.632 14.369 ( -7.428 -11.233 9.427) 16.438 15.427 ( 6.963 -4.513 3.494) 9.003 16.113 ( -6.571 2.669 -1.152) 7.185 16.656 ( -2.681 -13.329 -10.095) 16.935 18.909 ( 0.837 -11.941 -10.346) 15.822 20.776 ( -5.788 0.310 8.253) 10.086 ======================= Grid point 852 (325/670) ======================= q-point: ( 0.53 0.32 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.033 ( 1.052 -7.385 -8.073) 10.992 3.075 ( 0.766 -4.466 7.052) 8.383 5.263 ( 10.623 16.476 25.209) 31.934 6.309 ( 17.726 31.893 0.995) 36.502 7.251 ( -4.079 6.559 -22.481) 23.771 9.203 ( 8.680 21.468 6.671) 24.098 14.114 ( -8.421 -16.345 6.021) 19.347 15.524 ( 6.122 -1.408 3.255) 7.075 16.034 ( -4.755 -0.159 0.463) 4.780 16.472 ( -4.334 -4.921 -7.178) 9.722 18.788 ( 1.877 -9.762 -12.053) 15.623 20.692 ( -6.756 -0.889 9.046) 11.326 ======================= Grid point 853 (326/670) ======================= q-point: ( 0.58 0.32 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( 1.869 -3.930 -9.912) 10.825 3.039 ( -0.397 -6.869 5.238) 8.647 5.696 ( 13.735 12.708 23.835) 30.303 6.897 ( 9.292 25.888 2.281) 27.600 7.107 ( -4.231 6.130 -21.195) 22.466 9.561 ( 9.188 12.975 6.617) 17.220 13.821 ( -6.767 -18.096 3.200) 19.583 15.611 ( 2.027 1.895 2.449) 3.701 15.938 ( -3.101 -4.196 -1.629) 5.466 16.382 ( -4.067 3.734 -1.567) 5.739 18.714 ( 3.579 -6.236 -13.440) 15.242 20.585 ( -7.006 -2.612 9.937) 12.435 ======================= Grid point 854 (327/670) ======================= q-point: ( 0.63 0.32 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.960 ( 2.536 0.478 -10.863) 11.166 2.968 ( -0.319 -8.566 3.972) 9.448 6.123 ( 15.430 8.156 19.442) 26.127 6.738 ( -17.299 -1.767 -8.741) 19.463 7.512 ( 11.496 30.378 -4.253) 32.758 9.784 ( 6.920 -0.326 5.703) 8.973 13.564 ( -3.140 -17.097 1.235) 17.427 15.627 ( -3.359 3.253 -0.984) 4.779 15.870 ( -1.283 -0.073 -1.815) 2.224 16.374 ( -2.818 4.952 3.100) 6.486 18.709 ( 5.603 -1.771 -14.406) 15.558 20.466 ( -6.353 -4.590 10.911) 13.434 ======================= Grid point 855 (328/670) ======================= q-point: ( 0.68 0.32 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.001 ( 2.959 4.932 -11.156) 12.551 2.891 ( 0.726 -9.669 3.225) 10.218 6.273 ( -16.895 -4.042 -5.362) 18.181 6.592 ( 11.474 4.804 15.917) 20.201 7.899 ( 0.043 27.746 -3.021) 27.910 9.834 ( 4.734 -11.991 4.824) 13.765 13.396 ( 1.725 -14.199 0.121) 14.304 15.584 ( -5.058 5.889 -4.466) 8.956 15.868 ( -1.029 3.619 -0.716) 3.830 16.385 ( -2.232 2.855 5.474) 6.565 18.780 ( 7.161 2.851 -15.095) 16.949 20.350 ( -4.696 -6.492 11.974) 14.407 ======================= Grid point 856 (329/670) ======================= q-point: (-0.26 0.32 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.086 ( 3.188 8.335 -11.058) 14.210 2.827 ( 2.152 -9.902 3.012) 10.571 5.828 ( -25.323 -4.867 -1.198) 25.814 6.923 ( 14.236 2.280 11.742) 18.594 8.016 ( -12.879 19.956 -2.624) 23.896 9.762 ( 1.679 -15.954 4.272) 16.601 13.350 ( 6.979 -10.123 -0.029) 12.295 15.556 ( -4.761 8.770 -5.930) 11.608 15.895 ( 0.308 3.311 -0.274) 3.337 16.385 ( -1.913 0.888 6.068) 6.424 18.909 ( 7.662 6.686 -15.808) 18.796 20.257 ( -2.196 -7.987 13.101) 15.500 ======================= Grid point 857 (330/670) ======================= q-point: (-0.21 0.32 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( 3.371 9.812 -10.871) 15.027 2.789 ( 3.080 -8.807 3.461) 9.951 5.327 ( -28.078 -4.135 4.710) 28.769 7.122 ( 0.181 1.184 5.958) 6.077 7.904 ( -10.866 8.095 -3.481) 13.990 9.594 ( -7.224 -12.322 4.543) 14.989 13.433 ( 11.495 -5.816 0.910) 12.915 15.554 ( -4.032 9.869 -6.486) 12.479 15.940 ( 2.516 -0.149 1.216) 2.799 16.388 ( 0.236 0.545 4.521) 4.560 19.067 ( 7.269 9.066 -16.600) 20.263 20.202 ( 0.599 -8.823 14.143) 16.680 ======================= Grid point 858 (331/670) ======================= q-point: (-0.16 0.32 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( 3.542 9.098 -10.879) 14.618 2.778 ( 2.597 -6.032 4.818) 8.145 4.824 ( -29.080 -2.588 10.950) 31.181 6.897 ( -26.631 0.219 1.382) 26.668 7.911 ( 8.153 -0.167 -7.440) 11.038 9.281 ( -20.139 -6.859 6.340) 22.200 13.620 ( 13.738 -2.230 2.815) 14.199 15.570 ( -3.171 9.578 -6.604) 12.058 15.963 ( 1.964 -5.435 4.375) 7.248 16.464 ( 7.174 1.543 0.489) 7.354 19.228 ( 6.544 9.791 -17.080) 20.747 20.190 ( 2.993 -8.912 14.776) 17.514 ======================= Grid point 859 (332/670) ======================= q-point: (-0.11 0.32 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.427 ( 3.237 6.884 -11.231) 13.564 2.785 ( 0.290 -1.731 7.372) 7.578 4.359 ( -28.048 -0.640 17.703) 33.174 6.339 ( -35.004 -1.927 -1.209) 35.077 8.021 ( 5.826 -0.843 -16.960) 17.953 8.839 ( -26.048 -3.159 11.441) 28.625 13.857 ( 12.898 0.353 5.198) 13.911 15.581 ( -4.196 7.662 -4.503) 9.828 15.942 ( 3.187 -7.997 3.759) 9.393 16.666 ( 14.708 0.897 -2.609) 14.964 19.375 ( 5.723 9.060 -16.706) 19.847 20.217 ( 4.653 -8.371 14.648) 17.501 ======================= Grid point 868 (333/670) ======================= q-point: ( 0.37 0.37 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( -0.000 -11.209 3.429) 11.722 2.819 ( -0.000 10.978 8.977) 14.181 4.510 ( -0.000 18.155 32.283) 37.038 4.931 ( 0.000 27.953 -9.909) 29.658 6.572 ( 0.000 44.227 -5.816) 44.608 8.752 ( 0.000 8.819 -11.473) 14.471 14.592 ( -0.000 -0.394 12.238) 12.245 15.267 ( -0.000 -6.534 5.454) 8.511 16.393 ( 0.000 -3.634 -6.412) 7.370 16.847 ( 0.000 -18.184 -12.326) 21.968 19.045 ( 0.000 -13.574 -6.633) 15.107 20.909 ( -0.000 1.252 6.378) 6.499 ======================= Grid point 869 (334/670) ======================= q-point: ( 0.42 0.37 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( 0.088 -12.648 -0.141) 12.650 2.952 ( 1.801 6.309 8.446) 10.695 4.781 ( -0.804 19.164 28.574) 34.415 5.266 ( 8.162 29.684 -5.318) 31.241 6.985 ( 3.930 34.927 -11.977) 37.132 8.840 ( -0.338 15.945 -5.442) 16.852 14.591 ( -4.285 -2.134 11.848) 12.779 15.220 ( 3.983 -10.833 3.619) 12.096 16.321 ( -4.740 0.836 -4.387) 6.513 16.646 ( 2.119 -17.944 -10.649) 20.973 18.889 ( 0.315 -14.016 -6.862) 15.609 20.922 ( -2.321 1.404 5.901) 6.495 ======================= Grid point 870 (335/670) ======================= q-point: ( 0.47 0.37 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( 0.788 -12.140 -2.971) 12.523 3.043 ( 1.095 1.622 7.577) 7.826 5.058 ( 1.655 19.004 25.083) 31.513 5.743 ( 13.781 29.775 -1.935) 32.866 7.273 ( 1.638 21.157 -18.191) 27.950 9.041 ( 1.673 23.650 1.247) 23.742 14.443 ( -9.833 -9.516 8.835) 16.288 15.249 ( 8.590 -7.195 4.339) 12.016 16.211 ( -5.270 -3.676 -3.465) 7.300 16.514 ( 1.694 -8.983 -7.906) 12.086 18.741 ( 0.905 -13.153 -7.368) 15.103 20.893 ( -4.466 0.955 5.654) 7.269 ======================= Grid point 871 (336/670) ======================= q-point: ( 0.53 0.37 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( 2.073 -10.023 -4.985) 11.385 3.066 ( -0.733 -1.890 6.268) 6.588 5.370 ( 5.202 16.409 23.876) 29.435 6.303 ( 17.754 29.532 -2.234) 34.530 7.341 ( -4.293 9.954 -19.739) 22.520 9.347 ( 3.569 24.616 4.569) 25.289 14.150 ( -11.694 -14.915 5.440) 19.718 15.381 ( 9.709 -2.502 5.964) 11.666 16.056 ( -3.133 -9.544 -4.326) 10.937 16.469 ( -0.644 0.981 -4.379) 4.533 18.621 ( 1.924 -10.868 -7.970) 13.614 20.823 ( -6.242 -0.103 5.605) 8.390 ======================= Grid point 872 (337/670) ======================= q-point: ( 0.58 0.37 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( 3.678 -6.462 -6.349) 9.777 3.024 ( -2.375 -4.323 4.959) 6.994 5.702 ( 8.443 12.085 21.933) 26.427 6.912 ( 19.877 29.170 -3.037) 35.429 7.223 ( -10.071 3.951 -17.268) 20.377 9.629 ( 2.457 16.584 5.037) 17.505 13.811 ( -10.680 -16.183 3.129) 19.641 15.543 ( 7.785 -0.295 6.315) 10.028 15.912 ( -1.222 -7.906 -4.805) 9.332 16.468 ( -1.907 4.556 -1.818) 5.263 18.550 ( 3.533 -7.304 -8.459) 11.721 20.714 ( -7.430 -1.657 5.725) 9.525 ======================= Grid point 873 (338/670) ======================= q-point: ( 0.63 0.37 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( 5.124 -1.774 -7.193) 9.008 2.937 ( -3.113 -6.158 3.936) 7.943 6.029 ( 11.124 7.035 17.990) 22.291 6.983 ( -15.036 1.127 -11.552) 18.995 7.529 ( 19.007 28.838 -4.375) 34.814 9.761 ( -0.736 3.373 4.787) 5.902 13.503 ( -7.682 -14.819 1.551) 16.764 15.649 ( 2.633 -0.432 2.496) 3.653 15.854 ( 1.618 -1.465 -2.043) 2.989 16.475 ( -2.451 4.637 0.134) 5.247 18.551 ( 5.690 -2.870 -8.696) 10.781 20.575 ( -7.779 -3.496 6.014) 10.436 ======================= Grid point 874 (339/670) ======================= q-point: ( 0.68 0.37 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( 5.834 3.404 -7.676) 10.224 2.828 ( -2.606 -7.717 3.346) 8.806 6.312 ( 9.247 1.726 9.472) 13.350 6.688 ( -14.829 0.193 -2.701) 15.075 8.079 ( 11.926 29.072 -4.391) 31.729 9.704 ( -2.566 -10.698 4.653) 11.945 13.278 ( -3.071 -11.774 0.553) 12.181 15.663 ( -0.670 2.129 -2.690) 3.495 15.893 ( 1.500 1.666 1.384) 2.635 16.472 ( -2.785 3.011 1.829) 4.491 18.635 ( 7.778 1.787 -8.832) 11.904 20.421 ( -7.037 -5.374 6.540) 11.007 ======================= Grid point 875 (340/670) ======================= q-point: (-0.26 0.37 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( 5.326 8.265 -8.114) 12.748 2.725 ( -0.694 -9.041 3.405) 9.686 6.191 ( -20.223 -1.147 -2.807) 20.450 6.714 ( 12.756 -1.289 9.760) 16.113 8.419 ( -5.690 26.849 -4.631) 27.833 9.547 ( 2.521 -19.416 4.838) 20.168 13.177 ( 2.559 -7.691 0.235) 8.109 15.668 ( -1.778 5.408 -4.327) 7.151 15.924 ( -0.246 1.285 1.348) 1.878 16.449 ( -2.836 0.702 3.120) 4.275 18.790 ( 8.770 5.900 -9.399) 14.144 20.275 ( -5.054 -7.086 7.480) 11.477 ======================= Grid point 876 (341/670) ======================= q-point: (-0.21 0.37 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.221 ( 3.375 11.501 -9.046) 15.017 2.658 ( 2.546 -9.320 4.541) 10.675 5.779 ( -25.652 -0.449 2.583) 25.786 6.957 ( 14.561 -4.185 4.875) 15.916 8.331 ( -23.772 12.341 -4.851) 27.220 9.494 ( 6.323 -11.606 4.609) 13.998 13.217 ( 8.207 -3.317 0.741) 8.883 15.679 ( -2.556 6.919 -4.896) 8.853 15.923 ( -0.350 -0.882 1.244) 1.564 16.413 ( -1.954 -1.275 3.443) 4.159 18.981 ( 8.201 8.895 -10.936) 16.309 20.162 ( -2.002 -8.479 9.093) 12.593 ======================= Grid point 877 (342/670) ======================= q-point: (-0.16 0.37 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.338 ( 1.305 9.374 -10.199) 13.914 2.671 ( 5.402 -4.920 6.408) 9.719 5.336 ( -27.824 0.974 8.581) 29.133 7.103 ( 3.498 -5.243 1.142) 6.405 7.958 ( -19.175 -0.203 -7.166) 20.471 9.471 ( -4.963 -1.899 4.740) 7.120 13.389 ( 12.519 0.470 2.125) 12.707 15.687 ( -2.760 7.174 -5.457) 9.426 15.903 ( 0.351 -4.714 2.810) 5.499 16.394 ( 1.378 -2.287 1.937) 3.299 19.168 ( 6.628 10.431 -13.427) 18.249 20.100 ( 1.431 -9.335 11.429) 14.826 ======================= Grid point 878 (343/670) ======================= q-point: (-0.11 0.37 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.395 ( 2.153 3.278 -9.987) 10.729 2.773 ( 4.346 2.933 7.368) 9.044 4.907 ( -28.366 2.887 14.954) 32.196 6.856 ( -25.672 -4.451 -0.319) 26.057 7.794 ( 6.464 -5.282 -13.172) 15.594 9.285 ( -19.564 3.427 6.168) 20.798 13.652 ( 14.219 3.143 4.215) 15.160 15.695 ( -2.292 6.871 -6.121) 9.483 15.849 ( -0.365 -8.845 5.318) 10.327 16.449 ( 8.376 -2.992 -0.998) 8.951 19.326 ( 5.102 10.249 -15.983) 19.661 20.096 ( 4.194 -9.336 13.863) 17.232 ======================= Grid point 888 (344/670) ======================= q-point: ( 0.42 0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.983 ( 0.000 -13.840 -0.803) 13.863 3.019 ( -0.000 4.741 7.111) 8.547 5.068 ( -0.000 17.331 30.336) 34.937 5.468 ( 0.000 30.955 -8.091) 31.995 7.230 ( 0.000 27.818 -15.275) 31.736 9.023 ( 0.000 23.051 -2.031) 23.141 14.674 ( -0.000 0.971 12.327) 12.365 15.043 ( -0.000 -16.818 1.867) 16.921 16.388 ( 0.000 -21.045 -9.635) 23.146 16.392 ( 0.000 5.251 -3.381) 6.245 18.725 ( 0.000 -14.344 -5.598) 15.397 20.974 ( -0.000 1.590 4.540) 4.811 ======================= Grid point 889 (345/670) ======================= q-point: ( 0.47 0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( 0.666 -13.271 -1.527) 13.375 3.077 ( -0.009 2.151 6.197) 6.559 5.311 ( -0.689 16.146 25.919) 30.545 5.827 ( 8.562 29.426 -5.264) 31.095 7.409 ( -0.463 18.582 -18.191) 26.008 9.284 ( 0.587 28.337 1.150) 28.366 14.572 ( -12.001 -7.773 8.042) 16.405 15.015 ( 10.939 -9.059 5.117) 15.096 16.135 ( -1.317 -19.390 -7.868) 20.967 16.452 ( 0.888 5.004 -3.274) 6.046 18.576 ( 0.684 -13.387 -4.704) 14.206 20.979 ( -2.484 1.276 3.477) 4.460 ======================= Grid point 890 (346/670) ======================= q-point: ( 0.53 0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( 2.018 -11.178 -1.986) 11.531 3.093 ( -1.333 -0.331 5.217) 5.395 5.540 ( 1.470 13.696 22.304) 26.215 6.292 ( 14.421 27.052 -4.353) 30.963 7.461 ( -3.966 11.194 -18.163) 21.701 9.584 ( 0.458 27.416 2.513) 27.535 14.249 ( -14.065 -13.395 4.609) 19.962 15.187 ( 12.041 -2.763 7.895) 14.661 15.921 ( 0.625 -17.277 -7.046) 18.669 16.500 ( -0.251 5.395 -2.772) 6.071 18.461 ( 1.769 -10.996 -4.083) 11.862 20.934 ( -4.879 0.435 2.664) 5.576 ======================= Grid point 891 (347/670) ======================= q-point: ( 0.58 0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( 3.980 -7.717 -2.179) 8.952 3.056 ( -3.143 -2.259 4.117) 5.651 5.768 ( 4.178 9.402 19.116) 21.709 6.823 ( 19.049 24.704 -5.702) 31.712 7.390 ( -8.339 6.889 -14.639) 18.202 9.821 ( -1.999 19.603 2.543) 19.868 13.883 ( -13.683 -13.693 2.942) 19.580 15.394 ( 10.830 -1.464 8.718) 13.980 15.783 ( 2.867 -11.592 -6.522) 13.606 16.532 ( -0.983 4.833 -2.294) 5.439 18.400 ( 3.250 -7.348 -3.552) 8.785 20.838 ( -6.902 -0.847 2.052) 7.250 ======================= Grid point 892 (348/670) ======================= q-point: ( 0.63 0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( 6.184 -3.235 -2.185) 7.313 2.969 ( -4.685 -3.675 3.001) 6.668 5.984 ( 6.883 4.255 14.974) 17.021 7.188 ( -8.923 5.162 -17.038) 19.914 7.433 ( 18.537 21.864 0.708) 28.673 9.895 ( -6.447 7.742 2.209) 10.314 13.543 ( -11.652 -11.773 1.693) 16.651 15.554 ( 7.290 -3.352 5.357) 9.648 15.767 ( 5.366 -2.620 -2.995) 6.680 16.547 ( -1.475 3.709 -1.776) 4.369 18.410 ( 5.165 -2.965 -2.927) 6.636 20.696 ( -8.253 -2.387 1.609) 8.740 ======================= Grid point 893 (349/670) ======================= q-point: ( 0.68 0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( 7.996 1.633 -2.106) 8.428 2.847 ( -5.432 -4.774 1.987) 7.500 6.181 ( 9.333 -0.595 9.857) 13.587 6.953 ( -15.655 2.370 -9.089) 18.257 8.020 ( 22.311 21.585 -1.750) 31.092 9.763 ( -11.299 -4.524 1.905) 12.319 13.274 ( -7.922 -8.536 0.724) 11.669 15.630 ( 4.420 -1.248 -0.474) 4.617 15.857 ( 4.702 0.801 2.065) 5.197 16.542 ( -2.086 2.156 -1.097) 3.194 18.502 ( 7.364 1.493 -2.258) 7.845 20.523 ( -8.631 -3.974 1.368) 9.600 ======================= Grid point 894 (350/670) ======================= q-point: ( 0.74 0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.005 ( 8.763 6.309 -2.126) 11.005 2.708 ( -4.994 -5.804 1.279) 7.763 6.336 ( 6.124 -2.749 3.162) 7.420 6.680 ( -13.068 -0.094 -1.780) 13.189 8.583 ( 17.468 22.330 -2.028) 28.423 9.446 ( -13.600 -15.967 2.039) 21.073 13.118 ( -2.687 -4.453 0.212) 5.205 15.690 ( 2.513 2.206 -2.320) 4.070 15.925 ( 1.617 -0.002 2.598) 3.060 16.509 ( -2.859 0.098 -0.147) 2.865 18.673 ( 9.058 5.405 -2.062) 10.747 20.338 ( -7.762 -5.468 1.521) 9.616 ======================= Grid point 895 (351/670) ======================= q-point: (-0.21 0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.227 ( 7.638 10.830 -3.110) 13.612 2.578 ( -2.689 -7.320 1.776) 7.998 6.200 ( -20.018 2.749 0.556) 20.213 6.656 ( 12.540 -7.987 1.727) 14.968 8.847 ( -22.779 12.143 -5.173) 26.327 9.191 ( 16.379 -12.282 5.035) 21.082 13.101 ( 3.313 -0.114 0.337) 3.332 15.740 ( 0.507 3.865 -2.748) 4.769 15.928 ( -0.916 -1.910 1.755) 2.751 16.447 ( -3.077 -2.237 0.919) 3.913 18.894 ( 9.219 8.411 -3.193) 12.882 20.167 ( -5.469 -6.885 2.577) 9.163 ======================= Grid point 896 (352/670) ======================= q-point: (-0.16 0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.399 ( -1.484 8.544 -9.427) 12.808 2.542 ( 7.494 -2.907 7.870) 11.249 5.846 ( -25.413 4.498 6.249) 26.554 6.823 ( 15.911 -9.845 -2.120) 18.830 8.345 ( -27.523 -8.840 -4.223) 29.215 9.461 ( 8.833 6.395 3.235) 11.375 13.228 ( 8.888 3.734 1.191) 9.714 15.765 ( -1.160 4.343 -3.353) 5.608 15.874 ( -1.644 -4.936 1.825) 5.514 16.373 ( -1.904 -4.265 1.336) 4.858 19.120 ( 7.514 10.445 -6.566) 14.446 20.039 ( -1.817 -8.279 5.481) 10.093 ======================= Grid point 897 (353/670) ======================= q-point: (-0.11 0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.364 ( -0.541 -1.200 -7.020) 7.142 2.745 ( 7.326 8.007 5.454) 12.146 5.475 ( -27.161 6.417 12.370) 30.527 6.944 ( 7.620 -9.471 -3.560) 12.667 7.796 ( -19.953 -10.783 -8.080) 24.076 9.581 ( -5.612 9.341 3.726) 11.517 13.475 ( 12.732 6.500 2.750) 14.557 15.748 ( -2.522 -1.233 -4.960) 5.700 15.812 ( -0.498 -3.070 4.113) 5.157 16.319 ( 1.640 -5.766 0.173) 5.998 19.304 ( 4.676 11.065 -12.517) 17.349 19.983 ( 2.472 -9.153 10.883) 14.434 ======================= Grid point 908 (354/670) ======================= q-point: ( 0.47 0.47 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( 0.000 -12.736 -0.403) 12.742 3.114 ( -0.000 1.373 5.227) 5.404 5.537 ( -0.000 12.188 24.042) 26.955 6.020 ( 0.000 28.223 -6.060) 28.866 7.524 ( 0.000 14.506 -18.365) 23.403 9.579 ( -0.000 30.595 1.178) 30.618 14.693 ( -0.000 -17.973 1.227) 18.015 14.782 ( -0.000 2.379 11.938) 12.173 15.901 ( 0.000 -22.209 -8.100) 23.640 16.502 ( 0.000 6.809 -2.748) 7.342 18.429 ( 0.000 -12.424 -2.435) 12.661 21.022 ( -0.000 1.169 1.692) 2.056 ======================= Grid point 909 (355/670) ======================= q-point: ( 0.53 0.47 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( 1.273 -10.684 0.667) 10.780 3.129 ( -1.042 0.068 4.387) 4.509 5.708 ( 0.105 8.984 19.496) 21.467 6.337 ( 7.988 24.512 -4.948) 26.251 7.573 ( -2.502 10.761 -17.273) 20.504 9.873 ( -0.860 27.999 0.826) 28.024 14.376 ( -13.480 -13.182 3.282) 19.138 14.984 ( 11.862 -0.165 10.071) 15.562 15.678 ( 2.277 -20.421 -7.744) 21.958 16.555 ( -0.374 5.892 -2.997) 6.621 18.322 ( 1.223 -10.063 -0.582) 10.154 21.010 ( -2.732 0.595 0.231) 2.805 ======================= Grid point 910 (356/670) ======================= q-point: ( 0.58 0.47 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( 3.198 -7.302 1.707) 8.153 3.103 ( -2.767 -1.189 3.452) 4.581 5.846 ( 1.693 4.888 15.084) 15.947 6.737 ( 14.393 20.213 -5.161) 25.345 7.544 ( -5.922 8.092 -14.147) 17.340 10.079 ( -3.920 20.172 0.183) 20.550 14.018 ( -14.941 -11.063 2.791) 18.799 15.215 ( 11.291 -1.118 10.593) 15.523 15.552 ( 6.368 -13.809 -7.560) 16.982 16.585 ( -0.881 4.371 -3.170) 5.471 18.274 ( 2.811 -6.438 0.947) 7.088 20.941 ( -5.383 -0.373 -0.986) 5.486 ======================= Grid point 911 (357/670) ======================= q-point: ( 0.63 0.47 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( 5.593 -3.063 2.612) 6.891 3.032 ( -4.671 -2.125 2.324) 5.634 5.956 ( 3.793 -0.074 10.525) 11.188 7.170 ( 15.276 14.374 -10.664) 23.531 7.470 ( -4.923 7.839 -4.621) 10.346 10.120 ( -8.631 9.467 -0.497) 12.820 13.674 ( -14.417 -8.357 1.786) 16.759 15.381 ( 9.072 -5.852 6.013) 12.357 15.602 ( 9.822 -1.975 -2.450) 10.314 16.592 ( -1.147 2.697 -3.218) 4.353 18.299 ( 4.551 -2.156 2.348) 5.557 20.814 ( -7.599 -1.561 -2.032) 8.019 ======================= Grid point 912 (358/670) ======================= q-point: ( 0.68 0.47 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( 8.003 1.248 3.296) 8.745 2.918 ( -6.259 -2.665 0.974) 6.872 6.044 ( 6.473 -4.926 5.878) 10.036 7.196 ( -11.478 5.243 -12.787) 17.966 7.781 ( 22.580 11.093 2.741) 25.306 9.969 ( -13.748 -0.050 -1.256) 13.805 13.382 ( -11.975 -4.945 0.714) 12.976 15.492 ( 8.635 -3.434 0.969) 9.343 15.764 ( 7.899 1.207 2.506) 8.374 16.580 ( -1.378 1.059 -3.143) 3.592 18.403 ( 6.436 2.026 3.721) 7.706 20.641 ( -9.038 -2.763 -2.937) 9.897 ======================= Grid point 913 (359/670) ======================= q-point: (-0.26 -0.53 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( 9.890 4.878 3.838) 11.676 2.775 ( -7.144 -2.772 -0.623) 7.688 6.125 ( 9.722 -8.672 1.621) 13.128 6.967 ( -16.356 4.259 -6.777) 18.209 8.304 ( 26.689 4.842 3.038) 27.295 9.657 ( -18.643 -4.292 -2.551) 19.300 13.182 ( -7.735 -0.881 -0.060) 7.785 15.613 ( 7.038 -0.083 -0.395) 7.050 15.885 ( 4.028 0.237 3.168) 5.130 16.544 ( -2.074 -0.710 -2.771) 3.534 18.581 ( 8.281 5.537 4.753) 11.037 20.438 ( -9.402 -3.839 -3.610) 10.778 ======================= Grid point 914 (360/670) ======================= q-point: (-0.21 -0.53 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.152 ( 10.874 7.115 4.652) 13.803 2.621 ( -7.115 -2.164 -2.695) 7.910 6.221 ( 12.268 -10.158 -1.779) 16.026 6.691 ( -18.358 3.492 -1.665) 18.761 8.741 ( 22.080 -14.117 5.744) 26.829 9.293 ( -18.703 8.165 -5.478) 21.130 13.108 ( -2.173 3.387 -0.321) 4.037 15.718 ( 4.391 1.395 -0.480) 4.632 15.922 ( 0.130 -1.783 2.136) 2.786 16.475 ( -3.093 -2.747 -1.844) 4.529 18.817 ( 9.305 8.109 4.677) 13.199 20.228 ( -8.438 -4.832 -3.664) 10.391 ======================= Grid point 915 (361/670) ======================= q-point: (-0.16 0.47 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.413 ( 8.149 -1.019 9.236) 12.360 2.496 ( -3.459 7.870 -8.551) 12.125 6.281 ( -6.506 1.167 0.948) 6.677 6.458 ( 1.121 -7.744 -1.958) 8.066 8.547 ( -13.238 -26.279 0.942) 29.440 9.408 ( 8.684 18.007 -1.031) 20.018 13.174 ( 3.799 7.185 0.012) 8.127 15.785 ( 1.774 1.539 -0.094) 2.351 15.870 ( -2.834 -4.476 0.506) 5.322 16.376 ( -3.408 -4.763 -0.531) 5.881 19.075 ( 8.585 9.896 2.291) 13.300 20.039 ( -5.874 -6.024 -1.967) 8.641 ======================= Grid point 916 (362/670) ======================= q-point: (-0.11 0.47 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.347 ( -2.582 -4.467 -2.575) 5.767 2.722 ( 8.101 12.044 2.050) 14.659 6.033 ( -24.330 9.155 9.849) 27.798 6.558 ( 18.350 -13.468 -7.377) 23.928 8.008 ( -20.385 -20.606 -2.384) 29.083 9.700 ( 5.185 13.712 1.369) 14.723 13.373 ( 9.004 9.956 0.964) 13.458 15.746 ( -4.273 -7.695 -0.833) 8.842 15.814 ( 0.428 0.907 0.435) 1.093 16.270 ( -2.335 -6.175 0.259) 6.606 19.302 ( 5.429 11.101 -4.999) 13.331 19.910 ( -1.232 -7.573 4.380) 8.835 ======================= Grid point 928 (363/670) ======================= q-point: ( 0.53 0.53 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( -0.000 -8.651 3.040) 9.170 3.151 ( -0.000 -0.289 3.720) 3.731 5.826 ( -0.000 4.223 14.947) 15.533 6.478 ( 0.000 20.416 -4.243) 20.852 7.645 ( 0.000 9.621 -15.984) 18.656 10.149 ( -0.000 24.567 -0.527) 24.573 14.388 ( -0.000 -13.205 2.600) 13.459 14.919 ( -0.000 4.196 11.620) 12.355 15.423 ( 0.000 -20.497 -8.034) 22.015 16.603 ( 0.000 4.958 -3.651) 6.157 18.223 ( -0.000 -7.885 2.400) 8.243 21.037 ( 0.000 0.317 -1.768) 1.796 ======================= Grid point 929 (364/670) ======================= q-point: ( 0.58 0.53 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( 1.802 -5.341 5.082) 7.589 3.142 ( -1.628 -0.936 3.011) 3.549 5.889 ( 0.660 -0.289 9.929) 9.955 6.708 ( 7.610 14.938 -3.759) 17.181 7.662 ( -3.159 8.386 -13.508) 16.210 10.328 ( -3.208 16.670 -1.639) 17.055 14.170 ( -11.853 -8.590 3.181) 14.980 15.081 ( 7.567 1.404 12.294) 14.504 15.266 ( 6.946 -14.060 -8.912) 18.038 16.626 ( -0.670 3.385 -4.191) 5.429 18.187 ( 1.811 -4.504 4.823) 6.843 21.003 ( -2.989 -0.333 -3.444) 4.572 ======================= Grid point 930 (365/670) ======================= q-point: ( 0.63 0.53 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( 4.047 -1.363 6.623) 7.880 3.093 ( -3.589 -1.502 2.070) 4.407 5.907 ( 1.970 -5.137 5.037) 7.459 7.003 ( 13.932 9.150 -4.612) 17.295 7.624 ( -5.877 7.299 -8.824) 12.871 10.343 ( -7.762 6.454 -2.551) 10.412 13.872 ( -15.218 -4.934 2.117) 16.138 15.174 ( 8.383 -8.634 2.705) 12.334 15.402 ( 12.262 2.654 1.544) 12.641 16.622 ( -1.131 1.620 -4.500) 4.914 18.228 ( 3.729 -0.498 6.809) 7.780 20.907 ( -5.836 -1.186 -4.910) 7.719 ======================= Grid point 931 (366/670) ======================= q-point: (-0.32 -0.47 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( 6.473 2.408 7.574) 10.250 3.003 ( -5.530 -1.740 0.752) 5.846 5.891 ( 4.064 -9.867 0.492) 10.683 7.278 ( 8.166 4.482 -11.031) 14.438 7.607 ( 2.581 4.989 2.482) 6.141 10.182 ( -11.970 -2.008 -3.412) 12.607 13.583 ( -14.667 -1.507 0.642) 14.758 15.286 ( 11.019 -4.015 0.806) 11.755 15.641 ( 9.857 3.785 4.061) 11.313 16.595 ( -1.227 0.020 -4.650) 4.809 18.346 ( 5.459 3.309 8.575) 10.690 20.752 ( -8.152 -2.026 -6.248) 10.469 ======================= Grid point 932 (367/670) ======================= q-point: (-0.26 -0.47 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.804 ( 8.714 5.233 8.096) 12.995 2.877 ( -7.058 -1.438 -1.058) 7.281 5.865 ( 7.306 -13.683 -3.313) 15.861 7.236 ( -10.552 5.292 -9.175) 14.951 7.882 ( 22.142 -3.787 6.434) 23.367 9.897 ( -14.674 -5.166 -4.532) 16.204 13.358 ( -11.719 2.422 -0.510) 11.977 15.455 ( 10.533 -0.752 0.771) 10.588 15.822 ( 5.784 2.629 3.937) 7.474 16.551 ( -1.448 -1.389 -4.561) 4.982 18.531 ( 7.052 6.346 10.087) 13.848 20.553 ( -9.608 -2.693 -7.460) 12.459 ======================= Grid point 933 (368/670) ======================= q-point: (-0.21 -0.47 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.053 ( 10.226 6.385 8.712) 14.875 2.733 ( -7.717 -0.092 -3.611) 8.521 5.862 ( 11.602 -16.057 -6.198) 20.757 7.041 ( -15.802 6.024 -3.424) 17.255 8.216 ( 23.051 -15.814 7.025) 28.823 9.596 ( -13.375 0.056 -5.873) 14.607 13.236 ( -7.131 6.523 -1.166) 9.734 15.619 ( 8.044 0.362 1.263) 8.150 15.907 ( 1.171 0.265 2.510) 2.783 16.486 ( -2.391 -2.728 -3.820) 5.268 18.771 ( 8.342 8.373 10.870) 16.058 20.330 ( -9.959 -3.179 -8.364) 13.388 ======================= Grid point 934 (369/670) ======================= q-point: (-0.16 -0.47 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( 8.490 2.435 10.346) 13.603 2.614 ( -5.208 5.555 -7.498) 10.686 5.914 ( 16.230 -16.919 -8.291) 24.868 6.805 ( -18.808 7.228 1.990) 20.247 8.298 ( 8.017 -28.664 5.741) 30.312 9.499 ( -0.501 10.571 -4.778) 11.612 13.240 ( -1.567 10.141 -1.314) 10.345 15.739 ( 4.775 0.148 2.296) 5.300 15.883 ( -2.828 -2.755 -0.114) 3.950 16.390 ( -3.752 -4.032 -2.198) 5.930 19.041 ( 8.665 9.494 10.037) 16.308 20.105 ( -8.968 -3.719 -8.260) 12.747 ======================= Grid point 948 (370/670) ======================= q-point: ( 0.58 0.58 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( -0.000 -2.205 7.792) 8.097 3.155 ( -0.000 -1.164 2.603) 2.852 5.878 ( -0.000 -5.247 4.484) 6.902 6.749 ( 0.000 8.652 -2.719) 9.069 7.732 ( 0.000 8.202 -11.810) 14.379 10.480 ( 0.000 8.724 -2.992) 9.223 14.228 ( -0.000 -4.779 4.651) 6.668 15.002 ( 0.000 -15.600 -4.162) 16.145 15.112 ( -0.000 7.895 6.638) 10.315 16.645 ( 0.000 1.952 -5.093) 5.454 18.160 ( -0.000 -1.534 7.964) 8.110 21.011 ( 0.000 -0.682 -5.456) 5.499 ======================= Grid point 949 (371/670) ======================= q-point: (-0.37 -0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( 2.069 1.378 9.646) 9.961 3.133 ( -1.924 -1.526 1.999) 3.167 5.815 ( 0.855 -10.066 -0.660) 10.124 6.861 ( 7.622 2.133 -2.364) 8.261 7.750 ( -3.262 7.715 -8.682) 12.064 10.468 ( -4.399 -1.422 -4.028) 6.132 14.095 ( -12.582 -0.961 3.525) 13.101 14.929 ( 8.653 -10.264 -4.107) 14.039 15.300 ( 7.345 9.463 7.795) 14.292 16.633 ( -0.761 0.309 -5.673) 5.732 18.210 ( 2.206 2.003 10.368) 10.787 20.954 ( -3.179 -1.247 -7.174) 7.945 ======================= Grid point 950 (372/670) ======================= q-point: (-0.32 -0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( 4.256 4.537 10.605) 12.295 3.071 ( -3.935 -1.709 0.983) 4.402 5.708 ( 2.297 -14.588 -5.181) 15.650 7.031 ( 13.803 -4.041 -2.940) 14.680 7.725 ( -5.539 6.901 -3.695) 9.589 10.288 ( -7.953 -9.715 -4.910) 13.481 13.850 ( -15.849 1.663 0.755) 15.954 15.045 ( 12.627 -3.591 -0.785) 13.151 15.558 ( 8.322 9.304 6.684) 14.160 16.593 ( -1.101 -1.129 -5.932) 6.138 18.337 ( 4.164 5.304 12.242) 13.977 20.834 ( -6.116 -1.802 -8.718) 10.801 ======================= Grid point 951 (373/670) ======================= q-point: (-0.26 -0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.761 ( 6.416 6.679 10.872) 14.283 2.972 ( -5.729 -1.433 -0.629) 5.939 5.583 ( 4.924 -18.179 -8.645) 20.723 7.203 ( 12.945 -7.926 -5.508) 16.147 7.700 ( -2.187 3.690 4.025) 5.882 10.000 ( -9.367 -13.343 -5.808) 17.307 13.619 ( -14.336 5.005 -1.106) 15.225 15.252 ( 12.762 -0.140 1.169) 12.816 15.786 ( 5.504 7.849 5.381) 10.993 16.540 ( -1.088 -2.025 -5.819) 6.257 18.529 ( 5.689 7.792 13.786) 16.826 20.659 ( -8.434 -2.161 -10.150) 13.373 ======================= Grid point 952 (374/670) ======================= q-point: (-0.21 -0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( 8.183 7.436 10.868) 15.504 2.848 ( -6.821 -0.295 -3.013) 7.463 5.478 ( 8.968 -20.317 -10.847) 24.716 7.233 ( -0.291 -4.231 -5.695) 7.100 7.779 ( 10.185 -7.620 9.677) 15.982 9.702 ( -7.556 -11.423 -6.588) 15.198 13.464 ( -10.803 8.649 -2.176) 14.009 15.467 ( 10.780 0.752 2.463) 11.084 15.918 ( 0.873 4.506 3.079) 5.527 16.481 ( -1.482 -2.018 -4.775) 5.392 18.767 ( 6.891 9.257 14.859) 18.814 20.445 ( -9.867 -2.263 -11.414) 15.257 ======================= Grid point 953 (375/670) ======================= q-point: (-0.16 -0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.238 ( 7.824 5.499 11.155) 14.693 2.731 ( -5.691 3.075 -6.328) 9.049 5.433 ( 14.009 -20.933 -11.953) 27.881 7.114 ( -8.657 -0.376 -1.092) 8.734 7.878 ( 10.726 -18.793 9.752) 23.735 9.523 ( -0.032 -5.098 -6.205) 8.031 13.412 ( -6.088 11.891 -2.687) 13.627 15.643 ( 7.722 0.581 3.750) 8.604 15.919 ( -3.472 -0.425 -0.590) 3.548 16.415 ( -3.288 -1.347 -2.486) 4.336 19.034 ( 7.631 9.743 14.939) 19.399 20.211 ( -10.232 -2.231 -12.166) 16.053 ======================= Grid point 968 (376/670) ======================= q-point: (-0.37 -0.37 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( -0.000 4.383 11.573) 12.375 3.139 ( -0.000 -1.875 1.834) 2.622 5.674 ( 0.000 -14.636 -5.968) 15.806 6.775 ( 0.000 -4.712 -1.501) 4.945 7.831 ( 0.000 7.627 -6.477) 10.006 10.427 ( 0.000 -11.561 -5.187) 12.671 14.263 ( -0.000 4.754 6.395) 7.968 14.706 ( 0.000 -9.599 -8.166) 12.602 15.385 ( -0.000 13.929 9.472) 16.844 16.616 ( 0.000 -1.172 -6.559) 6.663 18.261 ( -0.000 4.979 12.998) 13.919 20.943 ( 0.000 -1.571 -9.013) 9.149 ======================= Grid point 969 (377/670) ======================= q-point: (-0.32 -0.37 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( 1.978 6.854 12.462) 14.360 3.106 ( -1.982 -2.227 1.302) 3.253 5.490 ( 1.013 -18.759 -10.521) 21.532 6.761 ( 7.742 -10.916 -1.162) 13.433 7.862 ( -3.142 7.122 -2.845) 8.288 10.220 ( -3.291 -19.803 -6.224) 21.017 14.158 ( -15.748 4.767 1.461) 16.519 14.778 ( 14.233 -2.452 -2.633) 14.681 15.602 ( 3.726 15.630 8.766) 18.304 16.571 ( -0.600 -2.414 -7.002) 7.430 18.388 ( 2.254 7.701 14.827) 16.859 20.867 ( -3.257 -1.914 -10.592) 11.245 ======================= Grid point 970 (378/670) ======================= q-point: (-0.26 -0.37 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( 3.866 8.313 12.526) 15.523 3.036 ( -3.825 -2.270 0.128) 4.449 5.282 ( 2.967 -21.955 -13.808) 26.105 6.810 ( 13.924 -16.612 -1.198) 21.709 7.853 ( -5.344 6.520 1.874) 8.636 9.911 ( -4.244 -23.714 -7.233) 25.153 13.931 ( -15.713 6.216 -1.960) 17.011 15.028 ( 14.372 1.628 1.445) 14.536 15.841 ( 2.917 14.511 7.109) 16.419 16.512 ( -0.566 -2.667 -6.776) 7.305 18.577 ( 4.030 9.598 16.129) 19.197 20.730 ( -6.174 -2.065 -12.007) 13.658 ======================= Grid point 971 (379/670) ======================= q-point: (-0.21 -0.37 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.989 ( 5.659 8.642 12.075) 15.891 2.935 ( -5.175 -1.661 -1.920) 5.765 5.086 ( 6.410 -23.695 -15.491) 29.026 6.882 ( 16.305 -21.627 -1.518) 27.127 7.831 ( -5.680 5.844 7.168) 10.853 9.590 ( -2.442 -23.264 -8.047) 24.738 13.750 ( -12.900 9.026 -3.421) 16.112 15.289 ( 12.429 2.361 3.474) 13.119 15.998 ( -1.215 9.212 3.486) 9.924 16.470 ( -0.225 -0.028 -4.632) 4.637 18.810 ( 5.282 10.485 17.025) 20.681 20.544 ( -8.435 -1.919 -13.261) 15.833 ======================= Grid point 972 (380/670) ======================= q-point: (-0.16 -0.37 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.216 ( 6.524 7.625 11.611) 15.346 2.824 ( -5.121 0.222 -4.995) 7.157 4.950 ( 11.196 -23.930 -15.704) 30.735 6.909 ( 13.632 -24.552 -1.248) 28.110 7.822 ( -4.991 4.419 11.485) 13.279 9.349 ( 3.086 -19.719 -8.017) 21.509 13.653 ( -8.998 11.755 -4.074) 15.354 15.515 ( 9.872 1.879 4.841) 11.154 15.992 ( -5.139 0.881 -1.879) 5.542 16.470 ( -2.255 4.607 -0.790) 5.190 19.066 ( 6.113 10.413 17.281) 21.082 20.326 ( -9.841 -1.518 -14.168) 17.317 ======================= Grid point 988 (381/670) ======================= q-point: (-0.32 -0.32 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( -0.000 8.628 13.323) 15.873 3.102 ( -0.000 -2.959 1.390) 3.270 5.237 ( 0.000 -22.329 -15.178) 26.999 6.554 ( 0.000 -16.457 -0.651) 16.470 7.951 ( -0.000 6.070 0.326) 6.079 9.985 ( 0.000 -27.802 -7.654) 28.837 14.479 ( -0.000 12.136 7.156) 14.089 14.510 ( 0.000 -5.314 -8.481) 10.009 15.779 ( -0.000 19.611 9.421) 21.757 16.523 ( 0.000 -3.491 -7.687) 8.443 18.505 ( -0.000 9.855 16.471) 19.194 20.840 ( 0.000 -2.092 -12.083) 12.263 ======================= Grid point 989 (382/670) ======================= q-point: (-0.26 -0.32 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( 1.643 9.411 13.379) 16.440 3.057 ( -1.814 -3.575 0.888) 4.106 4.960 ( 1.480 -24.974 -18.565) 31.154 6.432 ( 7.524 -21.124 -0.446) 22.429 7.987 ( -2.462 4.173 4.744) 6.781 9.651 ( -0.944 -31.101 -9.316) 32.480 14.246 ( -14.908 3.641 -4.130) 15.892 14.820 ( 14.262 6.666 3.158) 16.056 16.014 ( 0.016 19.757 8.498) 21.507 16.463 ( 0.242 -3.137 -7.453) 8.090 18.681 ( 2.035 11.198 17.430) 20.817 20.751 ( -3.225 -2.094 -13.327) 13.870 ======================= Grid point 990 (383/670) ======================= q-point: (-0.21 -0.32 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( 3.200 9.095 12.775) 16.005 2.977 ( -3.238 -3.717 -0.609) 4.967 4.692 ( 4.281 -26.141 -20.061) 33.229 6.381 ( 13.192 -25.419 -0.327) 28.641 7.988 ( -3.315 2.178 9.696) 10.476 9.305 ( 0.150 -29.799 -10.967) 31.753 14.042 ( -12.816 6.516 -4.969) 15.212 15.123 ( 12.383 5.684 4.480) 14.343 16.155 ( -4.425 9.726 2.017) 10.874 16.469 ( 1.953 5.813 -2.004) 6.451 18.898 ( 3.545 11.535 17.928) 21.611 20.608 ( -6.057 -1.777 -14.351) 15.678 ======================= Grid point 991 (384/670) ======================= q-point: (-0.16 -0.32 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( 4.809 7.961 11.806) 15.030 2.875 ( -3.804 -2.945 -3.355) 5.865 4.480 ( 8.462 -25.753 -19.573) 33.435 6.363 ( 15.902 -29.220 0.091) 33.267 7.991 ( -2.594 1.700 14.190) 14.525 9.016 ( 3.191 -26.258 -11.983) 29.039 13.909 ( -9.830 9.206 -5.307) 14.476 15.381 ( 10.475 3.476 5.230) 12.214 16.093 ( -6.622 0.354 -3.764) 7.626 16.590 ( -1.214 13.238 2.672) 13.559 19.136 ( 4.533 10.930 17.912) 21.467 20.424 ( -8.243 -1.117 -15.013) 17.164 ======================= Grid point 1008 (385/670) ======================= q-point: (-0.26 -0.26 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.990 ( -0.000 9.505 13.651) 16.635 3.033 ( -0.000 -5.013 1.292) 5.177 4.624 ( 0.000 -27.046 -22.420) 35.131 6.141 ( 0.000 -24.215 -0.305) 24.217 8.041 ( -0.000 -2.391 9.723) 10.013 9.307 ( 0.000 -31.137 -12.248) 33.459 14.379 ( 0.000 -2.930 -7.692) 8.231 14.797 ( -0.000 14.510 6.515) 15.905 16.263 ( -0.000 22.805 9.449) 24.685 16.399 ( 0.000 -3.424 -8.025) 8.725 18.835 ( -0.000 12.039 17.974) 21.634 20.716 ( 0.000 -1.962 -14.294) 14.428 ======================= Grid point 1009 (386/670) ======================= q-point: (-0.21 -0.26 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( 1.213 8.304 13.320) 15.743 2.968 ( -1.407 -6.176 0.750) 6.378 4.298 ( 2.488 -27.554 -24.402) 36.890 5.947 ( 6.777 -26.706 -0.298) 27.554 8.000 ( 0.733 -14.158 14.649) 20.386 8.993 ( -0.463 -21.776 -14.633) 26.240 14.253 ( -8.232 1.151 -6.329) 10.447 15.032 ( 8.120 9.985 5.088) 13.839 16.299 ( -4.862 1.111 -5.221) 7.220 16.552 ( 2.579 19.747 6.656) 20.998 19.026 ( 1.730 11.882 17.992) 21.630 20.626 ( -3.126 -1.487 -14.955) 15.351 ======================= Grid point 1010 (387/670) ======================= q-point: (-0.16 -0.26 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.275 ( 2.761 5.740 12.064) 13.643 2.873 ( -2.102 -6.227 -1.187) 6.679 4.028 ( 6.244 -26.195 -23.693) 35.868 5.832 ( 11.675 -29.019 0.033) 31.280 7.903 ( 6.672 -25.928 16.202) 31.294 8.774 ( -2.752 -8.461 -13.605) 16.256 14.119 ( -8.127 4.815 -5.772) 11.070 15.266 ( 8.814 4.141 4.278) 10.636 16.202 ( -6.351 2.064 -4.790) 8.219 16.788 ( -0.827 19.785 6.134) 20.731 19.235 ( 2.982 10.766 17.489) 20.752 20.490 ( -5.845 -0.595 -15.163) 16.261 ======================= Grid point 1028 (388/670) ======================= q-point: (-0.21 -0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( -0.000 5.865 13.789) 14.984 2.909 ( -0.000 -8.773 1.616) 8.921 3.920 ( 0.000 -27.229 -27.684) 38.831 5.623 ( 0.000 -26.916 -0.575) 26.922 7.769 ( -0.000 -37.357 14.491) 40.069 8.837 ( 0.000 -3.091 -12.628) 13.001 14.298 ( 0.000 -0.985 -5.902) 5.983 15.078 ( -0.000 8.873 3.825) 9.662 16.329 ( 0.000 2.292 -6.613) 6.999 16.782 ( -0.000 23.253 9.366) 25.069 19.182 ( -0.000 11.248 17.473) 20.780 20.594 ( 0.000 -0.829 -15.153) 15.175 ======================= Grid point 1029 (389/670) ======================= q-point: (-0.16 -0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.319 ( 0.546 0.551 12.927) 12.950 2.814 ( -0.134 -9.906 1.381) 10.003 3.607 ( 3.851 -24.294 -28.005) 37.274 5.404 ( 5.575 -26.956 -0.649) 27.535 7.431 ( 6.925 -47.436 11.017) 49.188 8.807 ( -2.970 6.479 -7.336) 10.228 14.238 ( -4.155 1.337 -4.884) 6.550 15.190 ( 4.763 2.023 1.954) 5.531 16.323 ( -3.984 7.249 -4.553) 9.441 17.034 ( -0.705 22.093 8.280) 23.604 19.352 ( 1.453 9.639 16.373) 19.055 20.518 ( -2.985 0.300 -14.776) 15.077 ======================= Grid point 1048 (390/670) ======================= q-point: (-0.16 -0.16 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.329 ( -0.000 -8.092 13.666) 15.882 2.691 ( -0.000 -14.849 2.446) 15.049 3.270 ( 0.000 -17.400 -29.732) 34.449 5.100 ( 0.000 -24.299 -1.448) 24.343 6.885 ( -0.000 -53.788 8.232) 54.414 8.904 ( 0.000 10.154 -3.345) 10.691 14.269 ( 0.000 0.957 -3.363) 3.496 15.150 ( 0.000 -2.603 -0.345) 2.626 16.445 ( 0.000 12.403 -3.583) 12.910 17.287 ( -0.000 21.745 8.671) 23.410 19.474 ( -0.000 7.576 14.611) 16.458 20.508 ( 0.000 1.635 -13.719) 13.816 ======================= Grid point 1149 (391/670) ======================= q-point: ( 0.16 0.16 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.527 ( -0.000 0.000 18.478) 18.478 0.527 ( -0.000 0.000 18.478) 18.478 2.135 ( -0.000 0.000 75.168) 75.168 3.977 ( 0.000 -0.000 -8.307) 8.307 3.977 ( 0.000 -0.000 -8.307) 8.307 9.266 ( 0.000 -0.000 -23.165) 23.165 14.595 ( -0.000 0.000 7.483) 7.483 14.595 ( -0.000 0.000 7.483) 7.483 17.428 ( 0.000 -0.000 -7.719) 7.719 17.428 ( 0.000 -0.000 -7.719) 7.719 19.620 ( -0.000 0.000 4.389) 4.389 21.203 ( 0.000 -0.000 -4.806) 4.806 ======================= Grid point 1150 (392/670) ======================= q-point: ( 0.21 0.16 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( 23.667 13.664 14.457) 30.916 1.027 ( 29.973 17.305 12.288) 36.727 2.507 ( 12.067 6.967 69.890) 71.265 3.940 ( 0.509 0.294 -10.042) 10.060 4.014 ( 4.899 2.829 -9.193) 10.794 9.168 ( -1.967 -1.136 -24.866) 24.969 14.627 ( -0.348 -0.201 8.719) 8.728 14.637 ( 2.564 1.480 7.639) 8.192 17.322 ( -6.102 -3.523 -8.696) 11.192 17.686 ( 15.726 9.079 -22.254) 28.723 19.625 ( -0.523 -0.302 4.102) 4.146 21.060 ( -8.671 -5.006 1.524) 10.128 ======================= Grid point 1151 (393/670) ======================= q-point: ( 0.26 0.16 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( 27.303 15.763 13.612) 34.340 1.680 ( 21.755 12.560 15.508) 29.521 3.069 ( 17.056 9.847 58.711) 61.926 3.939 ( 2.529 1.460 -12.321) 12.663 4.203 ( 16.750 9.670 -11.244) 22.372 9.024 ( -3.795 -2.191 -24.938) 25.320 14.635 ( -1.505 -0.869 9.933) 10.084 14.758 ( 5.782 3.338 7.905) 10.348 17.100 ( -10.635 -6.140 -9.303) 15.406 17.835 ( 3.646 2.105 -23.101) 23.481 19.624 ( -0.477 -0.275 1.607) 1.699 20.886 ( -7.223 -4.170 4.660) 9.554 ======================= Grid point 1152 (394/670) ======================= q-point: ( 0.32 0.16 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( 12.137 7.007 13.510) 19.466 2.267 ( 26.497 15.298 15.358) 34.235 3.536 ( 9.234 5.331 49.101) 50.245 3.990 ( 6.108 3.526 -15.419) 16.956 4.798 ( 37.256 21.510 -9.194) 43.991 8.843 ( -5.362 -3.096 -22.988) 23.807 14.624 ( -2.214 -1.278 10.958) 11.253 14.945 ( 8.225 4.749 8.351) 12.647 16.785 ( -14.142 -8.165 -9.612) 18.948 17.746 ( -5.032 -2.905 -18.594) 19.481 19.605 ( -1.187 -0.685 -2.560) 2.904 20.751 ( -6.207 -3.584 6.362) 9.584 ======================= Grid point 1153 (395/670) ======================= q-point: ( 0.37 0.16 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.327 ( 4.573 2.640 3.763) 6.484 2.860 ( 19.504 11.260 17.128) 28.294 3.889 ( 10.068 5.813 48.101) 49.486 4.158 ( 14.284 8.247 -17.903) 24.343 5.732 ( 44.358 25.610 -9.693) 52.129 8.645 ( -6.041 -3.488 -18.150) 19.444 14.606 ( -2.322 -1.341 11.685) 11.989 15.178 ( 9.567 5.523 9.017) 14.260 16.403 ( -16.352 -9.441 -9.806) 21.276 17.511 ( -10.608 -6.124 -14.936) 19.316 19.548 ( -2.479 -1.431 -7.663) 8.181 20.638 ( -5.798 -3.348 9.100) 11.297 ======================= Grid point 1154 (396/670) ======================= q-point: ( 0.42 0.16 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.362 ( -0.896 -0.517 -4.301) 4.424 3.220 ( 7.946 4.588 12.997) 15.909 4.328 ( 15.188 8.769 48.146) 51.240 4.566 ( 25.266 14.587 -14.175) 32.436 6.668 ( 38.447 22.197 -17.314) 47.651 8.492 ( -2.021 -1.167 -7.786) 8.128 14.594 ( -1.874 -1.082 12.094) 12.286 15.429 ( 9.437 5.448 10.036) 14.814 15.988 ( -16.874 -9.742 -10.247) 22.015 17.176 ( -14.781 -8.534 -12.651) 21.245 19.445 ( -3.594 -2.075 -13.039) 13.683 20.543 ( -5.371 -3.101 12.609) 14.052 ======================= Grid point 1155 (397/670) ======================= q-point: ( 0.47 0.16 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.284 ( -3.663 -2.115 -8.175) 9.205 3.348 ( 1.714 0.990 6.386) 6.686 4.871 ( 19.334 11.163 44.914) 50.157 5.167 ( 28.775 16.613 -7.710) 34.109 7.208 ( 11.803 6.814 -28.924) 31.974 8.648 ( 18.354 10.597 6.855) 22.275 14.597 ( -1.122 -0.648 12.205) 12.274 15.532 ( -13.423 -7.750 -3.539) 15.898 15.710 ( 5.740 3.314 3.779) 7.630 16.764 ( -17.758 -10.253 -11.517) 23.519 19.310 ( -3.888 -2.245 -17.770) 18.328 20.471 ( -4.786 -2.763 15.907) 16.839 ======================= Grid point 1156 (398/670) ======================= q-point: ( 0.53 0.16 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.163 ( -4.127 -2.383 -9.782) 10.881 3.371 ( -0.475 -0.274 2.022) 2.095 5.476 ( 21.695 12.525 39.754) 46.989 5.783 ( 25.681 14.827 -3.214) 29.827 7.108 ( -9.343 -5.394 -25.550) 27.734 9.267 ( 29.303 16.918 7.317) 34.618 14.617 ( -0.567 -0.327 11.962) 11.980 15.164 ( -14.208 -8.203 -9.219) 18.818 15.908 ( 7.101 4.100 9.643) 12.658 16.308 ( -18.466 -10.661 -11.203) 24.086 19.167 ( -2.981 -1.721 -21.250) 21.527 20.422 ( -4.175 -2.410 18.333) 18.956 ======================= Grid point 1157 (399/670) ======================= q-point: ( 0.58 0.16 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( -2.612 -1.508 -10.476) 10.902 3.351 ( -1.308 -0.755 -0.682) 1.657 6.095 ( 21.846 12.613 33.006) 41.542 6.290 ( 18.407 10.627 -0.136) 21.254 6.724 ( -16.992 -9.810 -17.555) 26.327 9.901 ( 22.688 13.099 4.795) 26.634 14.635 ( -1.373 -0.793 10.876) 10.991 14.855 ( -9.818 -5.668 -10.295) 15.314 15.885 ( -14.380 -8.302 -10.945) 19.887 16.075 ( 4.645 2.682 10.669) 11.942 19.052 ( -0.836 -0.483 -23.422) 23.441 20.392 ( -3.653 -2.109 19.821) 20.265 ======================= Grid point 1158 (400/670) ======================= q-point: ( 0.63 0.16 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.991 ( 0.473 0.273 -10.824) 10.838 3.310 ( -1.719 -0.993 -2.448) 3.152 6.185 ( -21.613 -12.478 -11.296) 27.394 6.601 ( 8.172 4.718 2.083) 9.664 6.729 ( 20.824 12.023 27.212) 36.314 10.274 ( 7.742 4.470 3.416) 9.571 14.596 ( -4.923 -2.842 7.562) 9.460 14.666 ( -3.517 -2.030 -11.038) 11.761 15.643 ( -2.866 -1.655 -8.981) 9.571 16.184 ( 1.842 1.063 11.365) 11.562 18.992 ( 2.197 1.268 -24.460) 24.591 20.377 ( -3.212 -1.854 20.568) 20.899 ======================= Grid point 1159 (401/670) ======================= q-point: (-0.32 0.16 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( 4.193 2.421 -11.081) 12.092 3.257 ( -2.152 -1.242 -3.604) 4.377 5.601 ( -26.378 -15.229 -5.391) 30.932 6.666 ( -3.263 -1.884 3.510) 5.149 7.282 ( 20.175 11.648 21.151) 31.466 10.248 ( -10.971 -6.334 2.891) 12.994 14.472 ( -6.483 -3.743 3.634) 8.322 14.631 ( 3.474 2.006 -11.297) 11.988 15.707 ( 9.736 5.621 -6.357) 12.915 16.231 ( -0.775 -0.447 11.907) 11.941 19.003 ( 5.409 3.123 -24.507) 25.290 20.373 ( -2.753 -1.589 20.725) 20.968 ======================= Grid point 1160 (402/670) ======================= q-point: (-0.26 0.16 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.108 ( 7.223 4.170 -11.559) 14.254 3.187 ( -2.992 -1.727 -4.259) 5.484 4.958 ( -28.978 -16.731 1.736) 33.506 6.482 ( -13.474 -7.779 4.116) 16.093 7.771 ( 17.639 10.184 13.156) 24.247 9.811 ( -27.190 -15.698 3.485) 31.589 14.353 ( -4.491 -2.593 2.332) 5.686 14.744 ( 8.997 5.194 -10.824) 15.003 16.004 ( 17.045 9.841 -5.934) 20.557 16.229 ( -2.454 -1.417 12.193) 12.518 19.083 ( 7.936 4.582 -23.610) 25.326 20.380 ( -2.135 -1.233 20.284) 20.434 ======================= Grid point 1161 (403/670) ======================= q-point: (-0.21 0.16 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.253 ( 8.296 4.790 -12.858) 16.034 3.088 ( -4.698 -2.712 -4.392) 6.980 4.300 ( -29.788 -17.198 10.236) 35.887 6.100 ( -20.411 -11.784 3.968) 23.900 8.145 ( 11.409 6.587 0.272) 13.177 9.090 ( -34.782 -20.081 9.008) 41.161 14.283 ( -2.374 -1.371 2.453) 3.678 14.946 ( 10.502 6.063 -9.213) 15.229 16.212 ( -1.704 -0.984 11.626) 11.791 16.416 ( 20.087 11.597 -6.602) 24.115 19.210 ( 9.070 5.237 -21.713) 24.107 20.403 ( -1.224 -0.707 19.062) 19.114 ======================= Grid point 1162 (404/670) ======================= q-point: (-0.16 0.16 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.377 ( 5.328 3.076 -15.620) 16.788 2.934 ( -7.847 -4.531 -3.856) 9.847 3.688 ( -26.921 -15.543 21.270) 37.666 5.605 ( -22.995 -13.276 3.105) 26.733 7.901 ( -35.465 -20.476 -13.528) 43.128 8.704 ( 2.935 1.695 15.658) 16.021 14.257 ( -0.662 -0.382 2.886) 2.985 15.121 ( 5.687 3.283 -5.283) 8.428 16.257 ( 3.628 2.095 8.659) 9.619 16.861 ( 20.335 11.741 -7.483) 24.645 19.351 ( 8.524 4.922 -18.689) 21.123 20.444 ( 0.021 0.012 16.832) 16.832 ======================= Grid point 1169 (405/670) ======================= q-point: ( 0.21 0.21 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( -0.000 22.186 13.396) 25.917 1.164 ( -0.000 33.472 16.939) 37.514 2.748 ( -0.000 16.051 68.879) 70.725 3.909 ( 0.000 0.839 -11.631) 11.661 3.976 ( 0.000 4.013 -9.098) 9.943 9.090 ( 0.000 -1.674 -27.085) 27.137 14.607 ( -0.000 -2.543 8.527) 8.898 14.710 ( -0.000 5.075 8.983) 10.317 17.341 ( 0.000 -4.738 -8.615) 9.832 17.571 ( 0.000 13.837 -21.043) 25.185 19.636 ( -0.000 -1.307 4.469) 4.656 21.066 ( 0.000 -8.261 -0.021) 8.261 ======================= Grid point 1170 (406/670) ======================= q-point: ( 0.26 0.21 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( 22.067 20.485 11.498) 32.230 1.643 ( 11.355 25.411 20.213) 34.398 3.210 ( 7.073 20.655 61.566) 65.323 3.896 ( 0.892 3.421 -13.599) 14.050 4.054 ( 7.603 8.249 -11.275) 15.905 8.969 ( -1.875 -2.066 -27.631) 27.771 14.624 ( 1.610 -3.396 9.506) 10.222 14.800 ( 0.631 7.084 9.232) 11.654 17.170 ( -8.087 -6.854 -9.452) 14.202 17.690 ( 6.695 3.975 -23.111) 24.387 19.628 ( -0.367 -2.049 2.967) 3.624 20.951 ( -4.402 -5.905 2.650) 7.827 ======================= Grid point 1171 (407/670) ======================= q-point: ( 0.32 0.21 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( 22.996 15.629 10.678) 29.784 2.104 ( 12.159 14.912 22.285) 29.442 3.656 ( 4.477 10.213 47.338) 48.634 3.933 ( 2.034 8.214 -12.825) 15.365 4.459 ( 26.178 25.224 -9.261) 37.514 8.817 ( -3.553 -2.270 -26.142) 26.480 14.641 ( 0.716 -3.827 10.788) 11.469 14.940 ( 3.521 8.337 9.189) 12.898 16.889 ( -11.575 -9.314 -9.769) 17.781 17.687 ( 0.671 -3.537 -20.532) 20.845 19.598 ( -0.716 -3.106 -0.461) 3.221 20.833 ( -5.164 -3.596 4.803) 7.916 ======================= Grid point 1172 (408/670) ======================= q-point: ( 0.37 0.21 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( 4.562 4.629 8.408) 10.627 2.649 ( 22.910 11.887 19.146) 32.136 3.909 ( 7.017 4.189 20.253) 21.840 4.095 ( 5.397 16.231 6.379) 18.256 5.296 ( 36.593 33.222 -7.058) 49.926 8.647 ( -4.673 -2.049 -21.992) 22.576 14.639 ( -0.494 -3.756 11.705) 12.303 15.139 ( 6.400 8.464 9.387) 14.167 16.536 ( -14.177 -10.653 -9.785) 20.253 17.530 ( -5.296 -7.606 -17.039) 19.397 19.533 ( -1.558 -4.436 -5.097) 6.934 20.732 ( -5.353 -2.371 7.312) 9.367 ======================= Grid point 1173 (409/670) ======================= q-point: ( 0.42 0.21 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.361 ( -0.618 -0.513 -0.149) 0.817 3.111 ( 14.011 3.312 16.693) 22.044 4.201 ( 16.280 8.290 10.284) 20.965 4.477 ( 11.439 22.344 19.236) 31.625 6.229 ( 36.380 30.341 -13.112) 49.153 8.501 ( -3.357 -0.102 -13.546) 13.956 14.625 ( -0.835 -4.128 12.114) 12.825 15.377 ( 8.030 7.948 9.839) 14.982 16.141 ( -15.854 -10.300 -9.680) 21.240 17.259 ( -10.238 -9.976 -14.370) 20.269 19.425 ( -2.560 -5.439 -10.127) 11.777 20.647 ( -5.314 -1.826 10.370) 11.794 ======================= Grid point 1174 (410/670) ======================= q-point: ( 0.47 0.21 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.297 ( -3.205 -2.737 -5.978) 7.314 3.308 ( 5.038 -1.967 8.902) 10.416 4.689 ( 23.074 9.131 21.820) 33.044 5.025 ( 16.855 27.216 14.062) 34.965 6.943 ( 21.657 17.301 -24.952) 37.296 8.532 ( 8.163 8.395 1.027) 11.755 14.604 ( -0.206 -5.942 11.877) 13.282 15.623 ( 7.787 7.183 10.653) 15.024 15.742 ( -16.059 -7.802 -9.648) 20.294 16.898 ( -14.362 -11.181 -12.764) 22.230 19.281 ( -3.115 -5.587 -14.803) 16.126 20.578 ( -4.951 -1.766 13.415) 14.408 ======================= Grid point 1175 (411/670) ======================= q-point: ( 0.53 0.21 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( -4.106 -3.047 -9.100) 10.439 3.349 ( 1.596 -3.503 3.336) 5.094 5.268 ( 24.632 8.281 28.262) 38.393 5.645 ( 18.247 27.814 9.275) 34.534 7.097 ( -1.774 0.848 -28.029) 28.098 8.990 ( 24.814 17.743 7.910) 31.514 14.568 ( 1.130 -10.612 10.230) 14.783 15.383 ( -16.435 -0.792 -7.860) 18.235 15.854 ( 7.557 4.831 10.537) 13.837 16.477 ( -17.093 -10.645 -12.006) 23.444 19.125 ( -2.787 -4.636 -18.594) 19.365 20.525 ( -4.302 -2.102 15.929) 16.633 ======================= Grid point 1176 (412/670) ======================= q-point: ( 0.58 0.21 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.054 ( -3.476 -2.009 -10.741) 11.467 3.332 ( 0.430 -4.037 0.186) 4.064 5.857 ( 24.528 7.455 26.279) 36.712 6.222 ( 14.388 24.264 8.786) 29.546 6.850 ( -12.860 -5.228 -20.961) 25.141 9.634 ( 25.549 14.944 6.114) 30.224 14.484 ( 2.371 -17.443 5.607) 18.474 15.132 ( -14.638 8.080 -4.312) 17.267 15.988 ( -5.420 -6.058 -1.620) 8.288 16.102 ( -5.653 1.255 0.800) 5.845 18.988 ( -1.418 -2.632 -21.303) 21.511 20.487 ( -3.495 -2.697 17.723) 18.265 ======================= Grid point 1177 (413/670) ======================= q-point: ( 0.63 0.21 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.966 ( -1.310 0.008 -11.651) 11.725 3.291 ( 0.005 -4.270 -1.684) 4.590 6.356 ( -3.242 -2.933 -0.136) 4.374 6.416 ( 6.927 0.597 5.769) 9.034 6.746 ( 7.507 19.463 11.939) 24.036 10.126 ( 16.154 6.115 4.401) 17.824 14.352 ( 3.720 -20.131 0.190) 20.472 14.994 ( -13.282 12.250 -1.427) 18.125 15.700 ( -9.253 -2.552 -10.675) 14.355 16.198 ( 2.571 2.495 11.238) 11.795 18.900 ( 0.866 0.099 -22.936) 22.952 20.461 ( -2.650 -3.341 18.834) 19.310 ======================= Grid point 1178 (414/670) ======================= q-point: (-0.32 0.21 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( 1.969 2.452 -12.193) 12.592 3.239 ( -0.286 -4.377 -2.778) 5.192 5.877 ( -23.794 -12.336 -6.400) 27.555 6.709 ( 3.766 5.401 5.894) 8.837 7.161 ( 14.579 13.952 19.931) 28.363 10.294 ( 0.345 -4.651 3.617) 5.902 14.238 ( 6.213 -18.821 -1.836) 19.905 14.888 ( -12.277 13.299 -3.878) 18.510 15.631 ( 2.676 5.531 -7.704) 9.854 16.273 ( 0.278 0.574 11.666) 11.683 18.882 ( 3.654 2.979 -23.550) 24.017 20.446 ( -1.835 -3.814 19.344) 19.802 ======================= Grid point 1179 (415/670) ======================= q-point: (-0.26 0.21 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.005 ( 5.297 4.534 -12.624) 14.422 3.176 ( -0.858 -4.491 -3.262) 5.617 5.298 ( -27.353 -13.697 0.995) 30.606 6.684 ( -11.546 1.450 3.908) 12.275 7.610 ( 16.968 9.320 14.714) 24.316 10.065 ( -17.324 -13.610 3.791) 22.355 14.186 ( 7.974 -15.818 -0.622) 17.725 14.848 ( -6.529 15.643 -6.920) 18.309 15.819 ( 12.205 8.928 -6.089) 16.302 16.295 ( -1.712 -0.513 11.590) 11.727 18.937 ( 6.302 5.341 -23.198) 24.625 20.443 ( -1.061 -3.965 19.281) 19.713 ======================= Grid point 1180 (416/670) ======================= q-point: (-0.21 0.21 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( 7.350 5.526 -13.282) 16.154 3.096 ( -2.134 -4.772 -3.124) 6.090 4.687 ( -29.276 -13.910 9.204) 33.694 6.395 ( -21.318 -3.528 3.351) 21.866 7.993 ( 14.313 6.114 4.692) 16.256 9.495 ( -30.638 -18.227 6.375) 36.215 14.185 ( 6.901 -11.185 1.870) 13.275 14.931 ( 0.659 15.171 -8.171) 17.244 16.135 ( 14.396 4.486 -2.443) 15.276 16.307 ( 1.230 4.082 7.180) 8.350 19.053 ( 8.120 6.701 -21.909) 24.307 20.452 ( -0.266 -3.747 18.576) 18.952 ======================= Grid point 1181 (417/670) ======================= q-point: (-0.16 0.21 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.263 ( 6.636 4.755 -14.305) 16.470 2.982 ( -4.585 -5.268 -2.255) 7.338 4.095 ( -28.681 -12.504 18.588) 36.393 5.935 ( -26.199 -7.121 2.345) 27.251 8.132 ( -8.047 -3.974 -13.449) 16.169 8.844 ( -20.706 -11.957 17.016) 29.347 14.205 ( 4.586 -6.466 3.786) 8.784 15.088 ( 3.633 11.276 -6.699) 13.609 16.234 ( 2.255 -2.976 8.571) 9.349 16.615 ( 18.472 11.877 -6.577) 22.924 19.202 ( 8.604 6.900 -19.650) 22.533 20.476 ( 0.655 -3.204 17.092) 17.402 ======================= Grid point 1189 (418/670) ======================= q-point: ( 0.26 0.26 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( -0.000 27.486 11.418) 29.763 1.876 ( -0.000 23.623 25.490) 34.753 3.560 ( -0.000 19.929 55.727) 59.184 3.914 ( 0.000 14.863 -15.966) 21.813 4.026 ( 0.000 7.341 -10.374) 12.709 8.878 ( 0.000 -1.743 -28.666) 28.719 14.608 ( -0.000 -3.002 9.974) 10.416 14.898 ( -0.000 7.764 9.679) 12.408 17.138 ( 0.000 -9.846 -9.488) 13.674 17.590 ( 0.000 2.175 -22.514) 22.619 19.611 ( -0.000 -3.839 2.347) 4.500 20.938 ( -0.000 -5.206 2.624) 5.830 ======================= Grid point 1190 (419/670) ======================= q-point: ( 0.32 0.26 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( 13.926 23.909 11.258) 29.872 2.195 ( 4.137 14.110 26.659) 30.446 3.789 ( 1.292 3.878 18.864) 19.301 4.039 ( -1.704 14.623 -0.286) 14.725 4.360 ( 16.457 35.156 2.751) 38.915 8.760 ( -1.724 -1.191 -27.702) 27.781 14.620 ( 0.967 -3.245 10.906) 11.419 15.018 ( 1.177 8.602 9.655) 12.984 16.928 ( -7.737 -11.249 -9.959) 16.899 17.549 ( 2.637 -4.187 -20.387) 20.979 19.564 ( -0.406 -5.629 0.027) 5.644 20.881 ( -2.699 -3.092 3.969) 5.710 ======================= Grid point 1191 (420/670) ======================= q-point: ( 0.37 0.26 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.305 ( 6.302 9.288 8.770) 14.244 2.501 ( 14.052 11.081 23.188) 29.290 3.908 ( 3.036 7.785 3.623) 9.108 4.225 ( 4.279 16.228 12.842) 21.132 5.119 ( 24.892 40.916 1.298) 47.911 8.629 ( -3.040 -0.235 -24.200) 24.391 14.635 ( 0.468 -3.739 11.814) 12.400 15.173 ( 3.454 8.738 9.506) 13.366 16.614 ( -11.315 -11.819 -9.925) 19.137 17.443 ( -0.754 -8.857 -17.559) 19.681 19.483 ( -0.965 -7.347 -3.509) 8.199 20.815 ( -4.048 -1.458 5.892) 7.296 ======================= Grid point 1192 (421/670) ======================= q-point: ( 0.42 0.26 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.373 ( -1.256 -1.470 2.988) 3.559 2.945 ( 15.624 5.272 18.805) 25.011 4.113 ( 8.681 14.163 1.256) 16.659 4.587 ( 9.645 21.014 21.694) 31.705 5.971 ( 28.327 37.505 -7.570) 47.606 8.517 ( -2.843 2.038 -17.002) 17.359 14.629 ( -0.703 -4.825 12.177) 13.117 15.366 ( 5.934 7.605 9.426) 13.487 16.260 ( -13.194 -10.342 -9.339) 19.190 17.239 ( -5.273 -11.427 -15.012) 19.589 19.364 ( -1.681 -8.545 -7.569) 11.539 20.751 ( -4.760 -0.709 8.170) 9.482 ======================= Grid point 1193 (422/670) ======================= q-point: ( 0.47 0.26 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.301 ( -2.930 -4.332 -3.561) 6.327 3.203 ( 7.771 -2.469 12.001) 14.508 4.514 ( 17.105 16.944 10.759) 26.371 5.090 ( 13.832 25.766 20.313) 35.606 6.703 ( 21.996 25.811 -19.470) 39.104 8.519 ( 3.134 8.688 -4.412) 10.235 14.585 ( -1.654 -7.796 11.472) 13.968 15.573 ( 7.284 3.991 8.412) 11.821 15.922 ( -13.612 -4.158 -6.994) 15.859 16.948 ( -9.608 -12.349 -13.202) 20.472 19.214 ( -2.173 -8.725 -11.570) 14.653 20.689 ( -4.997 -0.768 10.538) 11.688 ======================= Grid point 1194 (423/670) ======================= q-point: ( 0.53 0.26 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.181 ( -3.473 -4.501 -7.787) 9.641 3.277 ( 3.068 -5.217 5.746) 8.345 5.056 ( 21.013 14.521 20.522) 32.765 5.678 ( 16.131 28.620 14.717) 35.998 7.026 ( 4.437 8.281 -27.475) 29.037 8.832 ( 16.836 18.103 6.360) 25.527 14.482 ( -2.037 -13.317 8.942) 16.170 15.583 ( -8.626 -2.468 -5.207) 10.374 15.840 ( 2.960 7.321 9.217) 12.137 16.593 ( -13.099 -11.120 -12.079) 21.004 19.053 ( -2.012 -7.592 -15.120) 17.038 20.629 ( -4.773 -1.505 12.733) 13.681 ======================= Grid point 1195 (424/670) ======================= q-point: ( 0.58 0.26 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( -3.212 -3.069 -10.312) 11.228 3.266 ( 1.356 -6.187 2.108) 6.676 5.626 ( 21.871 11.557 24.004) 34.469 6.270 ( 14.355 27.705 10.596) 32.953 6.929 ( -7.974 -0.751 -23.779) 25.092 9.392 ( 22.526 16.852 7.035) 28.999 14.311 ( -1.465 -18.631 4.761) 19.285 15.414 ( -10.603 6.022 -2.815) 12.514 15.980 ( 1.950 -0.134 6.639) 6.921 16.245 ( -11.694 -3.648 -7.725) 14.483 18.910 ( -1.005 -5.121 -17.982) 18.724 20.574 ( -4.116 -2.728 14.587) 15.400 ======================= Grid point 1196 (425/670) ======================= q-point: ( 0.63 0.26 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( -1.959 -0.571 -11.785) 11.960 3.224 ( 0.906 -6.668 0.031) 6.729 6.170 ( 20.578 8.962 21.349) 30.977 6.545 ( -12.269 -1.952 -9.184) 15.450 6.858 ( 6.796 21.753 2.409) 22.917 9.902 ( 18.744 7.806 5.438) 21.020 14.114 ( 0.656 -20.356 0.942) 20.388 15.309 ( -10.809 9.502 -0.532) 14.401 15.815 ( -10.263 -3.535 -9.572) 14.472 16.223 ( 1.612 4.004 9.153) 10.120 18.814 ( 0.741 -1.615 -20.028) 20.106 20.526 ( -3.098 -4.142 16.023) 16.837 ======================= Grid point 1197 (426/670) ======================= q-point: ( 0.68 0.26 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( 0.343 2.392 -12.604) 12.834 3.170 ( 0.880 -6.842 -1.111) 6.987 6.132 ( -20.568 -8.804 -8.035) 23.772 6.643 ( 14.769 8.027 15.959) 23.179 7.211 ( 5.235 19.411 9.017) 22.034 10.183 ( 8.710 -3.295 4.369) 10.286 13.955 ( 4.068 -19.008 -1.140) 19.472 15.204 ( -11.847 9.756 -2.573) 15.561 15.671 ( -3.325 5.252 -7.969) 10.106 16.308 ( 0.866 1.680 10.605) 10.772 18.784 ( 2.897 2.249 -21.207) 21.522 20.487 ( -1.852 -5.388 17.003) 17.933 ======================= Grid point 1198 (427/670) ======================= q-point: (-0.26 0.26 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.940 ( 3.190 5.015 -13.021) 14.313 3.113 ( 0.751 -6.739 -1.540) 6.954 5.628 ( -24.929 -10.438 -0.822) 27.038 6.883 ( -2.044 7.545 7.392) 10.759 7.505 ( 9.411 10.794 11.083) 18.109 10.146 ( -5.638 -12.150 4.164) 14.027 13.880 ( 7.988 -15.951 -1.197) 17.879 15.113 ( -9.271 12.479 -5.371) 16.447 15.740 ( 5.008 8.713 -5.564) 11.487 16.348 ( -0.843 0.015 10.562) 10.595 18.825 ( 5.063 5.584 -21.541) 22.822 20.462 ( -0.573 -6.168 17.482) 18.547 ======================= Grid point 1199 (428/670) ======================= q-point: (-0.21 0.26 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.034 ( 5.558 6.572 -13.257) 15.806 3.051 ( 0.066 -6.418 -1.274) 6.544 5.078 ( -27.551 -10.872 6.986) 30.432 6.764 ( -19.179 3.956 3.492) 19.892 7.817 ( 13.717 5.003 5.867) 15.736 9.788 ( -20.550 -16.315 5.366) 26.782 13.905 ( 10.966 -12.089 0.574) 16.332 15.107 ( -5.054 14.436 -6.512) 16.623 15.952 ( 11.233 6.899 -4.211) 13.838 16.358 ( -0.995 0.545 8.967) 9.039 18.929 ( 6.852 7.718 -21.063) 23.456 20.454 ( 0.566 -6.361 17.391) 18.527 ======================= Grid point 1200 (429/670) ======================= q-point: (-0.16 0.26 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.164 ( 6.232 6.706 -13.343) 16.182 2.976 ( -1.578 -5.911 -0.249) 6.123 4.526 ( -28.204 -10.002 15.277) 33.599 6.371 ( -28.090 -0.904 1.771) 28.160 8.062 ( 8.713 1.253 -5.803) 10.543 9.204 ( -28.908 -15.591 10.238) 34.403 14.003 ( 10.850 -8.226 3.316) 14.014 15.175 ( -1.226 13.591 -6.599) 15.158 16.150 ( 6.534 -2.414 3.233) 7.679 16.460 ( 9.284 7.986 -0.306) 12.250 19.074 ( 7.883 8.453 -19.743) 22.878 20.464 ( 1.525 -6.036 16.642) 17.769 ======================= Grid point 1209 (430/670) ======================= q-point: ( 0.32 0.32 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.040 ( -0.000 25.660 12.030) 28.340 2.360 ( -0.000 7.238 25.934) 26.925 3.870 ( -0.000 8.010 10.299) 13.047 4.151 ( 0.000 12.682 -12.049) 17.493 4.674 ( -0.000 44.259 19.510) 48.369 8.683 ( 0.000 0.175 -27.352) 27.352 14.618 ( -0.000 -2.571 11.416) 11.702 15.121 ( -0.000 8.159 9.664) 12.647 16.845 ( 0.000 -13.050 -10.249) 16.594 17.410 ( 0.000 -6.597 -18.821) 19.944 19.499 ( 0.000 -8.007 -0.955) 8.063 20.891 ( -0.000 -1.780 4.153) 4.519 ======================= Grid point 1210 (431/670) ======================= q-point: ( 0.37 0.32 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.362 ( 3.244 14.399 10.345) 18.025 2.494 ( 5.513 4.061 20.721) 21.823 4.008 ( -0.546 13.846 8.287) 16.146 4.314 ( 5.956 17.003 -2.022) 18.129 5.268 ( 10.693 45.125 11.157) 47.698 8.599 ( -1.403 1.990 -24.570) 24.690 14.634 ( 0.239 -2.560 12.028) 12.300 15.240 ( 1.582 7.052 9.392) 11.851 16.620 ( -6.780 -12.675 -10.312) 17.690 17.287 ( 1.146 -10.338 -16.489) 19.495 19.400 ( -0.478 -9.963 -2.999) 10.415 20.876 ( -2.100 -0.452 5.036) 5.475 ======================= Grid point 1211 (432/670) ======================= q-point: ( 0.42 0.32 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.388 ( -2.297 -4.751 4.881) 7.189 2.826 ( 12.010 8.225 17.040) 22.411 4.193 ( 2.119 19.096 3.926) 19.611 4.674 ( 10.916 21.086 12.983) 27.062 5.964 ( 16.970 41.774 -1.060) 45.102 8.535 ( -1.731 5.000 -18.403) 19.148 14.638 ( -0.959 -3.736 12.239) 12.833 15.373 ( 3.838 4.460 8.883) 10.655 16.329 ( -9.744 -9.519 -9.389) 16.545 17.126 ( -1.146 -12.995 -14.319) 19.371 19.268 ( -0.992 -11.198 -5.644) 12.579 20.843 ( -3.590 0.243 6.281) 7.239 ======================= Grid point 1212 (433/670) ======================= q-point: ( 0.47 0.32 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.285 ( -2.663 -7.419 -1.446) 8.014 3.089 ( 7.977 -0.088 13.032) 15.280 4.514 ( 9.149 22.228 8.986) 25.662 5.161 ( 13.842 24.504 16.375) 32.561 6.606 ( 15.924 31.275 -14.087) 37.817 8.560 ( 1.474 11.206 -7.687) 13.669 14.586 ( -3.296 -7.415 11.199) 13.830 15.505 ( 5.710 -0.291 7.398) 9.350 16.073 ( -9.718 -1.730 -6.222) 11.668 16.900 ( -4.636 -13.776 -12.656) 19.273 19.113 ( -1.353 -11.367 -8.491) 14.253 20.797 ( -4.571 0.132 7.707) 8.961 ======================= Grid point 1213 (434/670) ======================= q-point: ( 0.53 0.32 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.155 ( -2.468 -7.076 -5.861) 9.514 3.190 ( 3.432 -4.576 7.891) 9.746 4.979 ( 14.688 19.989 17.692) 30.468 5.725 ( 16.176 27.546 12.666) 34.363 6.968 ( 5.624 14.947 -24.181) 28.979 8.804 ( 10.146 19.392 3.394) 22.147 14.438 ( -5.355 -13.532 8.272) 16.740 15.581 ( 2.899 -3.520 2.783) 5.343 15.960 ( -4.881 6.462 1.493) 8.235 16.624 ( -7.906 -11.843 -11.447) 18.270 18.951 ( -1.209 -10.186 -11.255) 15.228 20.737 ( -5.046 -0.747 9.206) 10.525 ======================= Grid point 1214 (435/670) ======================= q-point: ( 0.58 0.32 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( -1.991 -5.020 -8.819) 10.341 3.189 ( 1.155 -6.511 4.274) 7.874 5.496 ( 17.212 15.398 23.032) 32.616 6.323 ( 16.165 29.045 8.101) 34.214 6.975 ( -4.974 3.813 -24.370) 25.163 9.257 ( 16.145 19.007 6.662) 25.813 14.201 ( -5.469 -18.418 4.553) 19.746 15.572 ( -2.864 2.220 0.404) 3.646 15.988 ( -0.599 1.054 4.588) 4.745 16.357 ( -8.416 -3.969 -8.126) 12.354 18.809 ( -0.295 -7.545 -13.727) 15.667 20.667 ( -4.967 -2.255 10.697) 12.008 ======================= Grid point 1215 (436/670) ======================= q-point: ( 0.63 0.32 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( -1.190 -1.769 -10.732) 10.942 3.140 ( 0.539 -7.612 2.094) 7.913 6.003 ( 17.975 10.799 22.880) 31.035 6.715 ( -10.239 3.214 -9.297) 14.198 6.935 ( 10.890 24.076 -3.808) 26.698 9.705 ( 15.632 9.830 5.999) 19.416 13.939 ( -3.268 -19.873 1.563) 20.200 15.538 ( -6.427 6.013 0.801) 8.837 15.896 ( -6.197 -4.277 -5.636) 9.406 16.285 ( -1.184 4.967 4.101) 6.549 18.715 ( 1.318 -3.620 -15.748) 16.212 20.591 ( -4.270 -4.138 12.120) 13.501 ======================= Grid point 1216 (437/670) ======================= q-point: ( 0.68 0.32 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( 0.086 2.050 -11.865) 12.041 3.077 ( 0.827 -8.247 0.872) 8.334 6.331 ( -8.809 -3.060 -5.615) 10.885 6.534 ( 7.935 6.185 16.667) 19.468 7.363 ( 6.052 25.405 1.203) 26.143 9.992 ( 10.875 -2.193 5.005) 12.171 13.724 ( 0.636 -18.537 -0.232) 18.550 15.459 ( -9.302 5.901 -1.567) 11.127 15.771 ( -4.647 4.158 -6.508) 9.013 16.348 ( 0.386 3.035 8.142) 8.698 18.689 ( 3.181 0.978 -17.244) 17.563 20.517 ( -2.953 -6.021 13.419) 15.001 ======================= Grid point 1217 (438/670) ======================= q-point: (-0.26 0.32 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( 1.816 5.543 -12.417) 13.719 3.015 ( 1.400 -8.353 0.383) 8.478 5.939 ( -22.021 -6.784 -3.545) 23.313 6.888 ( 12.356 5.840 15.781) 20.876 7.619 ( -2.069 18.836 1.263) 18.992 10.058 ( 2.988 -11.621 4.538) 12.828 13.604 ( 5.385 -15.380 -0.695) 16.310 15.361 ( -8.653 8.848 -4.664) 13.225 15.774 ( -0.489 7.710 -4.293) 8.838 16.393 ( -0.519 0.744 8.834) 8.880 18.734 ( 4.783 5.232 -18.256) 19.584 20.457 ( -1.191 -7.488 14.503) 16.366 ======================= Grid point 1218 (439/670) ======================= q-point: (-0.21 0.32 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.987 ( 3.613 7.872 -12.580) 15.274 2.963 ( 1.667 -7.831 0.586) 8.028 5.459 ( -25.418 -7.456 4.052) 26.797 7.074 ( -4.760 5.937 7.957) 11.010 7.728 ( 1.546 8.195 1.126) 8.415 9.894 ( -8.127 -15.260 5.024) 18.005 13.605 ( 10.132 -11.225 0.254) 15.124 15.319 ( -6.287 11.668 -5.677) 14.418 15.871 ( 4.718 6.523 -3.373) 8.728 16.404 ( -1.153 -0.282 8.182) 8.267 18.837 ( 5.962 8.207 -18.813) 21.374 20.420 ( 0.635 -8.243 15.235) 17.334 ======================= Grid point 1219 (440/670) ======================= q-point: (-0.16 0.32 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( 4.790 8.677 -12.466) 15.926 2.919 ( 1.105 -6.647 1.552) 6.914 4.958 ( -27.065 -7.031 11.825) 30.361 6.863 ( -25.265 3.498 2.483) 25.626 7.882 ( 10.043 0.981 -3.575) 10.706 9.518 ( -20.337 -14.017 7.117) 25.704 13.722 ( 13.178 -7.190 2.458) 15.211 15.333 ( -3.941 12.207 -5.867) 14.105 16.019 ( 7.305 1.177 -0.744) 7.437 16.427 ( 2.080 1.900 4.444) 5.262 18.978 ( 6.798 9.537 -18.779) 22.132 20.410 ( 2.127 -8.250 15.448) 17.642 ======================= Grid point 1229 (441/670) ======================= q-point: ( 0.37 0.37 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.457 ( -0.000 -8.290 12.617) 15.097 2.563 ( -0.000 18.518 12.643) 22.422 4.241 ( -0.000 18.554 21.619) 28.489 4.402 ( 0.000 21.077 -13.107) 24.820 5.667 ( -0.000 45.160 9.612) 46.171 8.570 ( 0.000 4.816 -22.601) 23.109 14.650 ( -0.000 -1.605 12.281) 12.386 15.310 ( -0.000 3.855 8.967) 9.761 16.524 ( 0.000 -11.571 -10.527) 15.643 17.113 ( 0.000 -12.591 -14.476) 19.185 19.284 ( 0.000 -11.998 -3.380) 12.465 20.909 ( -0.000 0.477 4.726) 4.750 ======================= Grid point 1230 (442/670) ======================= q-point: ( 0.42 0.37 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.366 ( -1.804 -10.935 5.431) 12.342 2.815 ( 5.753 11.129 13.192) 18.193 4.438 ( -3.668 22.587 9.952) 24.953 4.728 ( 10.913 23.270 5.490) 26.281 6.183 ( 6.807 41.845 0.468) 42.398 8.566 ( -0.587 8.908 -17.461) 19.611 14.666 ( -1.124 -1.918 12.274) 12.474 15.367 ( 2.007 -1.234 7.972) 8.313 16.348 ( -5.285 -6.797 -9.453) 12.786 16.945 ( 0.815 -14.899 -12.535) 19.488 19.143 ( -0.430 -13.193 -4.389) 13.911 20.915 ( -1.928 0.986 4.817) 5.282 ======================= Grid point 1231 (443/670) ======================= q-point: ( 0.47 0.37 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.229 ( -1.857 -11.481 0.143) 11.631 3.026 ( 5.384 3.235 11.723) 13.300 4.687 ( 1.941 25.043 10.189) 27.106 5.206 ( 13.704 24.281 11.312) 30.089 6.681 ( 8.322 32.715 -11.396) 35.629 8.643 ( 1.135 15.441 -8.577) 17.700 14.623 ( -4.562 -5.669 10.971) 13.165 15.409 ( 4.735 -5.826 6.445) 9.894 16.185 ( -6.479 0.540 -6.054) 8.884 16.761 ( -0.496 -15.388 -11.207) 19.043 18.985 ( -0.698 -13.294 -5.789) 14.516 20.892 ( -3.548 0.849 5.195) 6.348 ======================= Grid point 1232 (444/670) ======================= q-point: ( 0.53 0.37 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( -1.301 -10.299 -3.462) 10.943 3.129 ( 2.498 -2.120 8.551) 9.158 5.055 ( 7.695 22.985 16.611) 29.385 5.744 ( 16.235 26.040 8.490) 31.839 6.992 ( 3.109 18.995 -20.861) 28.384 8.880 ( 5.974 22.321 0.734) 23.119 14.450 ( -8.237 -12.624 7.700) 16.926 15.470 ( 6.491 -4.764 5.607) 9.811 16.100 ( -5.123 3.587 -1.656) 6.470 16.561 ( -2.603 -11.877 -10.156) 15.842 18.826 ( -0.572 -12.056 -7.383) 14.149 20.842 ( -4.769 -0.006 5.802) 7.510 ======================= Grid point 1233 (445/670) ======================= q-point: ( 0.58 0.37 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.967 ( -0.411 -7.657 -6.035) 9.758 3.135 ( 0.071 -4.995 5.580) 7.490 5.485 ( 11.361 17.569 21.941) 30.317 6.329 ( 18.223 28.099 3.395) 33.662 7.042 ( -4.435 8.428 -22.348) 24.293 9.256 ( 9.662 21.750 4.798) 24.278 14.162 ( -9.159 -17.454 4.338) 20.183 15.564 ( 5.012 -0.435 5.205) 7.239 16.033 ( -3.778 -2.860 -0.719) 4.793 16.406 ( -3.506 -1.617 -6.821) 7.838 18.689 ( 0.229 -9.357 -8.994) 12.980 20.765 ( -5.474 -1.524 6.604) 8.712 ======================= Grid point 1234 (446/670) ======================= q-point: ( 0.63 0.37 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( 0.581 -3.730 -7.917) 8.771 3.080 ( -1.011 -6.770 3.508) 7.692 5.914 ( 13.440 11.388 22.528) 28.598 6.899 ( -10.303 4.657 -13.577) 17.669 6.933 ( 17.342 27.584 -4.347) 32.872 9.617 ( 9.374 12.620 5.226) 16.567 13.845 ( -7.396 -18.650 1.950) 20.158 15.642 ( 0.264 2.491 4.097) 4.802 15.912 ( -3.152 -5.482 -4.127) 7.551 16.373 ( -1.975 5.229 -0.272) 5.597 18.602 ( 1.800 -5.302 -10.475) 11.878 20.667 ( -5.504 -3.528 7.586) 10.015 ======================= Grid point 1235 (447/670) ======================= q-point: ( 0.68 0.37 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( 1.468 1.026 -9.257) 9.428 2.997 ( -0.809 -8.071 2.281) 8.426 6.287 ( 11.485 4.763 14.262) 18.920 6.665 ( -12.131 1.014 -5.398) 13.316 7.481 ( 12.146 29.180 -2.334) 31.693 9.834 ( 6.844 -0.549 4.847) 8.404 13.572 ( -3.633 -17.229 0.451) 17.614 15.622 ( -5.276 1.807 -0.203) 5.581 15.845 ( -1.411 2.392 -3.479) 4.452 16.408 ( -0.794 4.203 3.983) 5.844 18.586 ( 3.755 -0.366 -11.796) 12.384 20.558 ( -4.685 -5.720 8.758) 11.462 ======================= Grid point 1236 (448/670) ======================= q-point: ( 0.74 0.37 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( 2.125 5.696 -10.161) 11.841 2.914 ( 0.356 -8.881 1.793) 9.067 6.218 ( -17.049 -2.725 -6.241) 18.358 6.748 ( 12.724 2.294 17.204) 21.521 7.871 ( 0.745 26.533 -3.080) 26.722 9.879 ( 4.571 -12.018 4.614) 13.661 13.396 ( 1.478 -14.045 -0.153) 14.124 15.546 ( -6.015 5.264 -3.523) 8.735 15.854 ( -1.593 5.519 -2.286) 6.183 16.439 ( -0.880 1.605 5.945) 6.221 18.647 ( 5.274 4.516 -13.126) 14.849 20.454 ( -2.951 -7.711 10.137) 13.074 ======================= Grid point 1237 (449/670) ======================= q-point: (-0.21 0.37 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( 2.576 9.148 -10.780) 14.372 2.850 ( 1.903 -8.837 2.037) 9.266 5.826 ( -22.759 -3.581 0.621) 23.047 7.034 ( 12.628 -0.560 11.816) 17.303 7.984 ( -12.405 18.800 -4.179) 22.909 9.805 ( 1.656 -15.917 4.917) 16.741 13.351 ( 7.107 -9.800 0.253) 12.109 15.506 ( -5.323 8.681 -4.591) 11.170 15.883 ( 0.028 4.754 -2.108) 5.200 16.444 ( -1.329 -0.459 6.420) 6.572 18.766 ( 5.873 8.275 -14.666) 17.834 20.373 ( -0.555 -9.100 11.671) 14.810 ======================= Grid point 1238 (450/670) ======================= q-point: (-0.16 0.37 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.096 ( 2.965 10.488 -11.257) 15.669 2.820 ( 2.983 -7.428 3.075) 8.575 5.388 ( -25.424 -3.371 8.205) 26.927 7.178 ( -1.786 -0.658 6.041) 6.334 7.856 ( -10.820 6.510 -6.728) 14.308 9.643 ( -6.784 -12.406 5.942) 15.338 13.445 ( 12.077 -5.438 1.716) 13.355 15.501 ( -4.443 9.837 -4.811) 11.818 15.939 ( 3.181 1.600 -1.268) 3.779 16.434 ( -0.479 -1.095 5.165) 5.302 18.913 ( 5.908 10.277 -16.240) 20.107 20.330 ( 1.856 -9.617 13.137) 16.386 ======================= Grid point 1249 (451/670) ======================= q-point: ( 0.42 0.42 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.267 ( -0.000 -14.211 3.458) 14.626 2.913 ( -0.000 9.355 11.201) 14.594 4.799 ( -0.000 19.950 29.506) 35.618 4.829 ( 0.000 29.435 -11.874) 31.740 6.524 ( 0.000 38.181 -4.689) 38.468 8.634 ( 0.000 14.231 -13.638) 19.711 14.707 ( -0.000 -0.397 12.235) 12.242 15.322 ( -0.000 -8.707 6.304) 10.749 16.323 ( 0.000 -1.346 -8.596) 8.701 16.740 ( 0.000 -17.165 -10.427) 20.084 18.997 ( 0.000 -14.319 -3.724) 14.795 20.957 ( -0.000 1.388 3.779) 4.026 ======================= Grid point 1250 (452/670) ======================= q-point: ( 0.47 0.42 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.123 ( -0.680 -14.301 0.911) 14.346 3.038 ( 1.987 4.535 9.908) 11.076 4.989 ( -3.568 25.184 11.912) 28.087 5.260 ( 11.488 24.855 8.345) 28.625 6.869 ( 2.594 30.212 -13.241) 33.088 8.780 ( 0.891 21.081 -7.131) 22.272 14.698 ( -4.962 -2.776 10.952) 12.340 15.260 ( 4.346 -12.196 5.073) 13.905 16.273 ( -4.118 2.686 -5.984) 7.745 16.553 ( 1.993 -16.932 -9.181) 19.364 18.840 ( -0.216 -14.342 -3.548) 14.776 20.964 ( -1.977 1.285 3.121) 3.911 ======================= Grid point 1251 (453/670) ======================= q-point: ( 0.53 0.42 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.978 ( -0.320 -12.752 -1.032) 12.798 3.116 ( 0.983 0.117 7.982) 8.043 5.258 ( 1.635 22.768 16.639) 28.247 5.750 ( 14.474 25.087 4.839) 29.364 7.095 ( 0.425 19.824 -19.933) 28.116 9.043 ( 3.279 26.398 -0.818) 26.614 14.518 ( -10.715 -11.119 7.102) 16.997 15.300 ( 8.915 -6.681 6.566) 12.931 16.176 ( -4.330 -5.205 -3.786) 7.757 16.440 ( 1.507 -5.774 -7.933) 9.927 18.689 ( -0.081 -13.029 -3.754) 13.559 20.933 ( -3.809 0.567 2.798) 4.760 ======================= Grid point 1252 (454/670) ======================= q-point: ( 0.58 0.42 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( 0.737 -9.888 -2.440) 10.211 3.123 ( -1.043 -2.859 5.783) 6.535 5.581 ( 5.626 17.018 20.902) 27.535 6.288 ( 17.801 26.196 -0.738) 31.680 7.152 ( -4.268 11.764 -20.633) 24.131 9.378 ( 4.633 24.946 2.256) 25.472 14.194 ( -12.261 -15.934 4.061) 20.512 15.446 ( 9.442 -1.713 7.814) 12.375 16.015 ( -2.500 -11.507 -4.243) 12.516 16.425 ( -0.404 3.521 -5.158) 6.258 18.564 ( 0.584 -10.258 -4.210) 11.104 20.862 ( -5.296 -0.777 2.782) 6.032 ======================= Grid point 1253 (455/670) ======================= q-point: ( 0.63 0.42 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( 2.175 -5.745 -3.559) 7.099 3.066 ( -2.668 -4.835 3.878) 6.748 5.904 ( 8.357 10.161 21.078) 24.847 6.857 ( 17.883 24.225 -9.608) 31.606 7.084 ( -6.807 9.923 -11.483) 16.633 9.666 ( 3.150 16.081 2.979) 16.655 13.836 ( -11.154 -16.673 2.199) 20.180 15.610 ( 6.663 0.115 7.839) 10.289 15.865 ( -0.732 -8.543 -5.156) 10.005 16.447 ( -1.013 5.397 -2.623) 6.086 18.488 ( 1.939 -6.160 -4.780) 8.034 20.755 ( -6.211 -2.632 3.060) 7.407 ======================= Grid point 1254 (456/670) ======================= q-point: ( 0.68 0.42 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( 3.525 -0.592 -4.557) 5.791 2.967 ( -3.244 -6.384 2.515) 7.590 6.192 ( 9.911 3.906 16.494) 19.635 6.863 ( -11.290 3.296 -13.489) 17.897 7.501 ( 17.903 28.433 -1.752) 33.646 9.798 ( -0.138 2.795 3.053) 4.142 13.514 ( -8.081 -15.016 0.938) 17.079 15.670 ( -0.269 -2.323 1.855) 2.985 15.839 ( 3.148 0.902 -1.134) 3.465 16.474 ( -1.069 4.322 -0.236) 4.459 18.485 ( 3.880 -1.180 -5.440) 6.785 20.620 ( -6.285 -4.778 3.676) 8.709 ======================= Grid point 1255 (457/670) ======================= q-point: ( 0.74 0.42 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( 4.189 4.889 -5.592) 8.528 2.853 ( -2.475 -7.755 1.855) 8.349 6.368 ( 0.129 0.168 1.705) 1.718 6.689 ( -3.815 -0.119 3.798) 5.384 8.044 ( 11.408 29.019 -3.079) 31.333 9.742 ( -1.945 -11.067 3.317) 11.716 13.282 ( -3.296 -11.782 0.226) 12.237 15.641 ( -1.774 1.727 -1.971) 3.165 15.902 ( 0.964 3.027 0.309) 3.191 16.489 ( -1.253 2.012 1.962) 3.077 18.563 ( 5.682 3.900 -6.471) 9.454 20.474 ( -5.244 -6.927 4.765) 9.909 ======================= Grid point 1256 (458/670) ======================= q-point: (-0.21 0.42 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.000 ( 3.679 9.699 -6.963) 12.493 2.751 ( -0.241 -8.762 2.193) 9.035 6.166 ( -18.466 0.462 -2.620) 18.657 6.806 ( 12.778 -5.140 9.801) 16.904 8.376 ( -6.065 26.422 -4.466) 27.474 9.591 ( 2.946 -19.223 4.408) 19.940 13.179 ( 2.621 -7.566 0.228) 8.010 15.634 ( -2.470 5.521 -2.883) 6.700 15.927 ( -0.901 2.369 -0.634) 2.613 16.481 ( -1.612 -0.537 3.555) 3.940 18.706 ( 6.332 8.134 -8.400) 13.297 20.341 ( -2.970 -8.755 6.553) 11.332 ======================= Grid point 1257 (459/670) ======================= q-point: (-0.16 0.42 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.136 ( 2.010 12.099 -9.060) 15.249 2.698 ( 3.107 -8.127 3.924) 9.544 5.812 ( -23.029 0.709 4.511) 23.478 7.002 ( 13.886 -7.596 4.610) 16.486 8.279 ( -24.176 12.294 -6.300) 27.845 9.542 ( 6.350 -11.801 5.555) 14.507 13.226 ( 8.638 -3.116 1.050) 9.243 15.640 ( -3.180 7.106 -3.253) 8.437 15.924 ( -0.351 0.239 -0.937) 1.029 16.449 ( -1.529 -2.556 4.029) 5.010 18.875 ( 5.653 10.793 -11.446) 16.716 20.248 ( 0.181 -9.890 9.162) 13.483 ======================= Grid point 1269 (460/670) ======================= q-point: ( 0.47 0.47 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( -0.000 -14.800 1.043) 14.836 3.092 ( -0.000 3.209 8.461) 9.049 5.346 ( -0.000 15.829 29.172) 33.190 5.387 ( 0.000 32.426 -9.156) 33.694 7.077 ( 0.000 24.703 -17.653) 30.362 8.993 ( 0.000 26.986 -4.138) 27.301 14.786 ( -0.000 0.952 11.324) 11.364 15.067 ( -0.000 -18.107 3.250) 18.396 16.308 ( 0.000 -20.670 -7.175) 21.880 16.349 ( 0.000 6.804 -5.729) 8.895 18.691 ( 0.000 -14.324 -1.799) 14.436 21.002 ( -0.000 1.316 1.502) 1.997 ======================= Grid point 1270 (461/670) ======================= q-point: ( 0.53 0.47 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.847 ( 0.158 -13.477 1.064) 13.520 3.139 ( -0.048 0.818 7.048) 7.095 5.530 ( -2.362 17.908 19.259) 26.404 5.792 ( 10.375 26.196 -0.122) 28.176 7.227 ( -0.701 18.238 -20.912) 27.757 9.283 ( 1.220 30.154 -1.396) 30.211 14.639 ( -12.998 -10.156 6.319) 17.664 15.073 ( 11.753 -7.236 7.108) 15.525 16.070 ( -0.764 -20.001 -5.634) 20.793 16.411 ( 0.619 6.557 -5.402) 8.518 18.551 ( 0.181 -12.997 -0.544) 13.010 20.997 ( -2.175 0.828 0.310) 2.348 ======================= Grid point 1271 (462/670) ======================= q-point: ( 0.58 0.47 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( 1.129 -10.737 1.156) 10.858 3.143 ( -1.512 -1.378 5.448) 5.820 5.739 ( 1.375 12.849 20.150) 23.938 6.253 ( 14.458 25.116 -3.566) 29.199 7.281 ( -3.502 13.083 -20.503) 24.572 9.596 ( 1.161 27.585 -0.071) 27.610 14.288 ( -14.408 -14.306 3.822) 20.660 15.267 ( 12.057 -1.802 8.934) 15.115 15.863 ( 0.865 -18.073 -5.058) 18.787 16.464 ( -0.103 6.301 -4.909) 7.988 18.443 ( 0.842 -10.209 0.269) 10.248 20.944 ( -4.292 -0.221 -0.504) 4.328 ======================= Grid point 1272 (463/670) ======================= q-point: ( 0.63 0.47 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( 2.767 -6.740 1.212) 7.386 3.093 ( -3.394 -3.033 3.767) 5.908 5.945 ( 4.179 6.471 18.688) 20.213 6.756 ( 17.337 23.062 -8.657) 30.123 7.255 ( -5.681 10.704 -14.285) 18.733 9.834 ( -1.316 19.051 0.222) 19.098 13.908 ( -14.053 -14.114 2.463) 20.069 15.483 ( 10.347 -0.972 10.039) 14.450 15.725 ( 3.142 -12.120 -5.663) 13.742 16.501 ( -0.519 5.231 -4.223) 6.743 18.386 ( 2.005 -6.115 0.753) 6.479 20.843 ( -6.055 -1.756 -0.979) 6.380 ======================= Grid point 1273 (464/670) ======================= q-point: ( 0.68 0.47 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( 4.696 -1.807 1.052) 5.140 2.994 ( -4.875 -4.300 2.187) 6.859 6.123 ( 6.551 0.461 14.693) 16.094 7.016 ( -5.173 8.131 -19.311) 21.582 7.444 ( 16.397 21.817 1.238) 27.320 9.906 ( -5.712 6.910 0.176) 8.967 13.557 ( -12.013 -12.053 1.333) 17.070 15.599 ( 4.459 -6.213 3.851) 8.562 15.750 ( 7.481 0.347 -0.128) 7.490 16.523 ( -0.697 3.626 -3.254) 4.922 18.401 ( 3.662 -1.232 0.981) 3.986 20.699 ( -7.135 -3.600 -1.100) 8.067 ======================= Grid point 1274 (465/670) ======================= q-point: ( 0.74 0.47 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( 6.266 3.464 0.509) 7.178 2.860 ( -5.386 -5.432 0.927) 7.705 6.270 ( 8.198 -3.960 9.112) 12.881 6.858 ( -12.044 3.853 -10.970) 16.740 8.013 ( 21.103 22.639 0.123) 30.950 9.773 ( -10.382 -5.644 0.122) 11.817 13.280 ( -8.153 -8.734 0.457) 11.956 15.625 ( 3.258 -1.538 -0.240) 3.611 15.879 ( 4.689 1.520 2.391) 5.478 16.527 ( -0.969 1.596 -1.877) 2.648 18.495 ( 5.510 3.704 0.726) 6.679 20.526 ( -7.179 -5.538 -0.728) 9.095 ======================= Grid point 1275 (466/670) ======================= q-point: ( 0.79 0.47 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.992 ( 6.658 8.543 -0.731) 10.855 2.716 ( -4.382 -6.696 0.441) 8.014 6.358 ( 1.591 -2.728 1.304) 3.416 6.666 ( -6.304 -2.236 -0.841) 6.741 8.570 ( 15.426 24.043 -0.681) 28.575 9.459 ( -11.642 -17.617 0.695) 21.128 13.119 ( -2.675 -4.563 0.082) 5.290 15.675 ( 1.816 2.477 -0.899) 3.200 15.943 ( 0.947 0.517 1.058) 1.511 16.507 ( -1.525 -0.822 -0.118) 1.736 18.660 ( 6.620 7.951 -0.707) 10.370 20.347 ( -5.827 -7.375 0.519) 9.413 ======================= Grid point 1276 (467/670) ======================= q-point: (-0.16 0.47 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( 4.294 12.892 -4.127) 14.201 2.597 ( -0.499 -8.035 2.369) 8.392 6.207 ( -17.828 4.151 1.066) 18.336 6.673 ( 12.506 -11.419 1.992) 17.052 8.795 ( -22.491 12.811 -5.767) 26.518 9.241 ( 15.888 -12.938 5.550) 21.228 13.104 ( 3.637 -0.159 0.360) 3.658 15.721 ( -0.204 4.293 -1.157) 4.451 15.934 ( -1.335 -1.348 -0.361) 1.931 16.459 ( -1.946 -3.286 1.552) 4.123 18.859 ( 6.024 10.980 -4.199) 13.209 20.195 ( -2.866 -8.908 3.345) 9.938 ======================= Grid point 1289 (468/670) ======================= q-point: ( 0.53 0.53 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( -0.000 -12.467 2.833) 12.785 3.167 ( -0.000 0.224 6.073) 6.077 5.758 ( -0.000 8.715 23.377) 24.948 5.960 ( 0.000 29.389 -6.621) 30.125 7.337 ( 0.000 15.606 -21.753) 26.772 9.577 ( 0.000 31.333 -1.569) 31.372 14.715 ( -0.000 -18.189 3.299) 18.486 14.885 ( -0.000 2.551 9.713) 10.042 15.839 ( 0.000 -22.611 -4.891) 23.134 16.464 ( 0.000 7.417 -5.362) 9.152 18.428 ( -0.000 -11.766 2.121) 11.955 21.022 ( 0.000 0.647 -1.661) 1.782 ======================= Grid point 1290 (469/670) ======================= q-point: ( 0.58 0.53 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( 0.857 -9.970 4.338) 10.907 3.173 ( -1.153 -0.895 4.978) 5.187 5.886 ( -0.124 5.601 18.703) 19.524 6.289 ( 8.079 24.769 -5.269) 26.581 7.396 ( -2.062 13.052 -20.792) 24.635 9.868 ( -0.574 27.945 -1.769) 28.007 14.410 ( -13.387 -13.729 3.910) 19.570 15.075 ( 11.760 0.860 8.842) 14.738 15.620 ( 2.184 -21.332 -4.212) 21.853 16.514 ( -0.236 6.289 -5.591) 8.418 18.339 ( 0.758 -9.139 4.179) 10.077 20.997 ( -2.469 -0.035 -3.175) 4.022 ======================= Grid point 1291 (470/670) ======================= q-point: ( 0.63 0.53 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( 2.421 -6.244 5.492) 8.661 3.137 ( -3.018 -1.980 3.661) 5.141 5.985 ( 1.824 0.759 14.875) 15.005 6.682 ( 13.336 20.507 -6.747) 25.375 7.400 ( -4.203 11.204 -16.562) 20.433 10.070 ( -3.505 19.694 -2.057) 20.109 14.046 ( -15.327 -11.386 3.017) 19.331 15.319 ( 11.358 0.054 10.965) 15.787 15.488 ( 6.312 -15.119 -5.628) 17.324 16.544 ( -0.565 4.600 -5.588) 7.260 18.305 ( 1.984 -5.229 5.666) 7.961 20.916 ( -4.893 -1.163 -4.311) 6.624 ======================= Grid point 1292 (471/670) ======================= q-point: ( 0.68 0.53 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( 4.509 -1.769 6.122) 7.807 3.053 ( -5.020 -2.813 2.113) 6.131 6.055 ( 3.935 -4.621 10.591) 12.207 7.048 ( 8.250 13.873 -15.290) 22.233 7.433 ( 3.247 12.220 -3.355) 13.082 10.106 ( -8.144 8.746 -2.355) 12.180 13.691 ( -14.835 -8.750 1.776) 17.315 15.428 ( 7.334 -9.533 3.582) 12.549 15.598 ( 11.258 1.642 1.960) 11.545 16.552 ( -0.676 2.728 -5.306) 6.004 18.342 ( 3.476 -0.609 6.702) 7.575 20.781 ( -6.891 -2.577 -5.111) 8.958 ======================= Grid point 1293 (472/670) ======================= q-point: ( 0.74 0.53 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( 6.690 2.748 6.125) 9.478 2.925 ( -6.606 -3.395 0.413) 7.439 6.100 ( 6.577 -9.328 6.202) 12.989 7.062 ( -8.843 7.979 -15.657) 19.673 7.810 ( 21.532 12.303 3.308) 25.018 9.950 ( -13.275 -1.081 -2.758) 13.601 13.388 ( -12.257 -5.363 0.613) 13.393 15.502 ( 7.926 -3.839 1.331) 8.907 15.794 ( 7.889 1.722 3.589) 8.836 16.543 ( -0.701 0.842 -4.693) 4.819 18.454 ( 5.092 3.950 7.252) 9.702 20.601 ( -8.072 -4.081 -5.514) 10.593 ======================= Grid point 1294 (473/670) ======================= q-point: (-0.21 -0.47 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( 8.411 6.740 5.523) 12.111 2.767 ( -7.325 -3.823 -1.257) 8.358 6.143 ( 9.780 -12.529 2.223) 16.049 6.894 ( -13.854 6.408 -8.838) 17.638 8.337 ( 26.160 6.697 3.955) 27.292 9.628 ( -18.352 -5.945 -3.612) 19.626 13.181 ( -7.791 -1.249 -0.150) 7.892 15.616 ( 6.487 0.185 1.099) 6.582 15.912 ( 3.516 0.313 2.393) 4.265 16.514 ( -1.087 -1.163 -3.489) 3.834 18.635 ( 6.420 7.823 6.791) 12.187 20.396 ( -8.029 -5.539 -5.215) 11.060 ======================= Grid point 1309 (474/670) ======================= q-point: ( 0.58 0.58 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( -0.000 -7.722 6.971) 10.403 3.189 ( -0.000 -1.130 4.398) 4.541 5.963 ( -0.000 -0.284 14.486) 14.489 6.436 ( 0.000 21.340 -4.696) 21.851 7.477 ( 0.000 12.439 -20.151) 23.681 10.132 ( 0.000 24.312 -2.866) 24.481 14.424 ( -0.000 -13.029 5.076) 13.983 15.009 ( -0.000 4.758 6.291) 7.888 15.370 ( 0.000 -21.688 -2.079) 21.787 16.556 ( 0.000 5.197 -6.337) 8.195 18.269 ( -0.000 -6.856 7.351) 10.052 21.004 ( 0.000 -0.313 -5.281) 5.290 ======================= Grid point 1310 (475/670) ======================= q-point: ( 0.63 0.58 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( 1.435 -4.317 8.914) 10.008 3.173 ( -1.800 -1.660 3.578) 4.335 5.980 ( 0.831 -5.045 9.721) 10.983 6.669 ( 7.102 15.795 -4.533) 17.902 7.517 ( -2.323 11.621 -17.490) 21.127 10.303 ( -3.046 16.259 -3.555) 16.920 14.206 ( -12.611 -8.688 4.585) 15.986 15.172 ( 11.121 -0.740 -4.111) 11.880 15.214 ( 3.924 -12.353 9.038) 15.801 16.575 ( -0.476 3.545 -6.791) 7.676 18.255 ( 1.406 -3.386 9.713) 10.382 20.955 ( -2.785 -1.013 -6.933) 7.540 ======================= Grid point 1311 (476/670) ======================= q-point: ( 0.68 0.58 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( 3.369 -0.370 10.011) 10.569 3.114 ( -3.962 -2.143 2.377) 5.093 5.954 ( 2.272 -10.012 5.191) 11.505 6.950 ( 11.780 10.328 -6.728) 17.051 7.530 ( -2.928 10.493 -11.110) 15.560 10.312 ( -7.518 5.910 -4.002) 10.366 13.894 ( -15.952 -5.469 2.561) 17.056 15.187 ( 9.576 -10.951 0.229) 14.549 15.439 ( 11.277 4.893 6.171) 13.755 16.568 ( -0.787 1.703 -6.873) 7.124 18.313 ( 3.057 0.738 11.346) 11.774 20.845 ( -5.468 -1.976 -8.235) 10.081 ======================= Grid point 1312 (477/670) ======================= q-point: (-0.26 -0.42 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( 5.579 3.345 10.241) 12.132 3.010 ( -6.087 -2.377 0.727) 6.575 5.898 ( 4.495 -14.540 1.124) 15.260 7.163 ( 3.581 7.369 -13.295) 15.616 7.623 ( 8.444 6.504 1.080) 10.713 10.145 ( -11.753 -2.730 -4.410) 12.847 13.590 ( -15.085 -2.193 0.773) 15.263 15.298 ( 11.248 -4.438 1.950) 12.248 15.683 ( 9.256 4.292 4.926) 11.330 16.542 ( -0.771 0.009 -6.632) 6.676 18.444 ( 4.612 4.724 12.395) 14.043 20.680 ( -7.619 -2.999 -9.216) 12.328 ======================= Grid point 1313 (478/670) ======================= q-point: (-0.21 -0.42 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( 7.748 6.232 9.781) 13.948 2.866 ( -7.747 -2.224 -1.361) 8.174 5.839 ( 7.840 -17.864 -2.129) 19.625 7.141 ( -8.509 7.892 -11.052) 16.026 7.938 ( 21.834 -2.237 5.567) 22.643 9.852 ( -14.633 -6.050 -5.013) 16.609 13.354 ( -11.855 1.766 -0.423) 11.993 15.472 ( 10.369 -0.662 2.738) 10.745 15.857 ( 5.125 2.643 3.397) 6.692 16.502 ( -0.788 -1.413 -5.855) 6.074 18.638 ( 5.911 7.981 12.693) 16.117 20.473 ( -8.831 -3.933 -9.727) 13.714 ======================= Grid point 1329 (479/670) ======================= q-point: ( 0.63 0.63 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( -0.000 -1.340 11.306) 11.385 3.183 ( -0.000 -1.806 3.331) 3.789 5.919 ( -0.000 -10.128 4.495) 11.081 6.721 ( 0.000 9.435 -3.334) 10.007 7.601 ( 0.000 11.814 -16.339) 20.163 10.445 ( 0.000 8.303 -4.449) 9.420 14.283 ( -0.000 -4.636 7.172) 8.540 14.931 ( 0.000 -14.436 -9.074) 17.051 15.209 ( -0.000 5.967 12.075) 13.469 16.585 ( 0.000 2.083 -7.695) 7.972 18.257 ( -0.000 -0.540 12.768) 12.780 20.944 ( 0.000 -1.296 -8.974) 9.067 ======================= Grid point 1330 (480/670) ======================= q-point: (-0.32 -0.37 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( 1.752 2.003 12.590) 12.868 3.155 ( -2.173 -2.101 2.698) 4.052 5.810 ( 1.054 -14.924 -0.215) 14.962 6.834 ( 7.142 3.027 -3.323) 8.439 7.650 ( -2.331 11.475 -12.836) 17.375 10.426 ( -4.303 -1.930 -4.988) 6.864 14.133 ( -14.315 -1.661 4.485) 15.092 14.893 ( 11.330 -10.120 -3.459) 15.580 15.379 ( 6.092 9.322 9.098) 14.380 16.568 ( -0.550 0.429 -8.137) 8.167 18.328 ( 1.893 2.890 14.825) 15.222 20.871 ( -3.043 -1.852 -10.589) 11.172 ======================= Grid point 1331 (481/670) ======================= q-point: (-0.26 -0.37 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( 3.702 4.949 12.847) 14.256 3.083 ( -4.476 -2.265 1.481) 5.230 5.664 ( 2.740 -19.179 -4.116) 19.806 6.996 ( 12.226 -2.448 -4.582) 13.284 7.676 ( -3.052 10.025 -6.749) 12.465 10.239 ( -7.825 -10.382 -5.394) 14.075 13.859 ( -16.610 0.576 1.034) 16.652 15.048 ( 13.799 -3.519 1.419) 14.311 15.621 ( 7.283 9.583 6.833) 13.841 16.528 ( -0.738 -1.004 -8.109) 8.204 18.470 ( 3.687 6.159 16.074) 17.603 20.738 ( -5.880 -2.456 -11.884) 13.485 ======================= Grid point 1332 (482/670) ======================= q-point: (-0.21 -0.37 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( 5.744 6.985 12.295) 15.263 2.967 ( -6.555 -2.057 -0.438) 6.884 5.510 ( 5.619 -22.244 -6.812) 23.933 7.144 ( 9.953 -4.618 -7.009) 13.020 7.726 ( 2.092 4.866 1.495) 5.504 9.945 ( -9.256 -14.140 -5.797) 17.867 13.610 ( -14.554 3.985 -0.777) 15.110 15.275 ( 13.058 -0.002 3.662) 13.562 15.833 ( 4.510 7.819 4.664) 10.160 16.478 ( -0.537 -1.685 -7.398) 7.606 18.671 ( 5.080 8.684 16.652) 19.455 20.551 ( -8.081 -2.922 -12.840) 15.450 ======================= Grid point 1349 (483/670) ======================= q-point: (-0.32 -0.32 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( -0.000 4.660 13.928) 14.687 3.160 ( -0.000 -2.391 2.758) 3.650 5.622 ( 0.000 -19.377 -5.004) 20.013 6.757 ( 0.000 -4.008 -2.443) 4.694 7.750 ( 0.000 11.883 -10.989) 16.186 10.376 ( 0.000 -12.199 -5.642) 13.441 14.334 ( -0.000 4.589 8.638) 9.782 14.633 ( 0.000 -9.918 -7.403) 12.376 15.474 ( -0.000 13.671 9.434) 16.610 16.543 ( 0.000 -1.005 -8.975) 9.031 18.403 ( -0.000 5.544 17.138) 18.012 20.843 ( 0.000 -2.050 -12.378) 12.546 ======================= Grid point 1350 (484/670) ======================= q-point: (-0.26 -0.32 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( 1.713 6.879 14.213) 15.883 3.123 ( -2.335 -2.715 2.243) 4.226 5.399 ( 1.322 -23.222 -8.835) 24.882 6.744 ( 7.533 -10.144 -2.348) 12.852 7.816 ( -2.488 11.520 -7.077) 13.747 10.161 ( -3.208 -20.711 -6.214) 21.859 14.171 ( -17.285 2.601 1.190) 17.520 14.770 ( 16.080 -1.111 0.919) 16.144 15.682 ( 3.034 15.675 8.334) 18.010 16.495 ( -0.364 -2.169 -9.234) 9.492 18.544 ( 2.055 8.041 18.435) 20.217 20.753 ( -3.186 -2.322 -13.776) 14.329 ======================= Grid point 1351 (485/670) ======================= q-point: (-0.21 -0.32 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.907 ( 3.403 8.192 13.662) 16.290 3.041 ( -4.586 -2.807 0.855) 5.444 5.164 ( 3.679 -25.903 -11.203) 28.460 6.793 ( 13.442 -15.574 -2.508) 20.725 7.853 ( -4.110 10.631 -1.883) 11.552 9.845 ( -4.039 -24.923 -6.798) 26.147 13.915 ( -15.898 4.669 -1.462) 16.634 15.056 ( 14.820 2.227 4.314) 15.595 15.903 ( 1.760 14.214 6.075) 15.558 16.440 ( 0.022 -1.897 -8.403) 8.615 18.742 ( 3.742 9.820 18.975) 21.691 20.605 ( -6.053 -2.439 -14.848) 16.219 ======================= Grid point 1369 (486/670) ======================= q-point: (-0.26 -0.26 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( -0.000 8.438 14.634) 16.893 3.121 ( -0.000 -3.392 2.629) 4.291 5.106 ( 0.000 -26.617 -12.692) 29.488 6.541 ( 0.000 -15.843 -2.029) 15.973 7.933 ( 0.000 11.185 -4.111) 11.917 9.914 ( 0.000 -29.253 -7.224) 30.132 14.439 ( 0.000 -5.581 -6.718) 8.734 14.555 ( -0.000 11.526 8.975) 14.608 15.864 ( -0.000 19.724 8.734) 21.572 16.441 ( 0.000 -3.149 -9.892) 10.381 18.674 ( -0.000 9.800 19.676) 21.981 20.713 ( 0.000 -2.318 -15.141) 15.318 ======================= Grid point 1370 (487/670) ======================= q-point: (-0.21 -0.26 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( 1.377 9.126 14.321) 17.037 3.071 ( -2.336 -4.021 2.144) 5.121 4.802 ( 2.032 -28.892 -15.072) 32.651 6.420 ( 7.514 -20.536 -1.996) 21.958 8.012 ( -2.230 9.847 0.487) 10.108 9.566 ( -0.701 -33.337 -8.633) 34.444 14.210 ( -14.040 1.595 -3.408) 14.536 14.864 ( 13.583 7.687 6.140) 16.772 16.087 ( -1.187 18.973 6.942) 20.238 16.386 ( 1.080 -1.645 -8.846) 9.062 18.856 ( 1.936 10.889 20.062) 22.908 20.614 ( -3.199 -2.171 -16.117) 16.574 ======================= Grid point 1389 (488/670) ======================= q-point: (-0.21 -0.21 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.123 ( -0.000 9.261 14.528) 17.229 3.053 ( -0.000 -5.375 2.966) 6.139 4.434 ( 0.000 -30.917 -17.932) 35.741 6.129 ( 0.000 -23.728 -2.216) 23.832 8.116 ( -0.000 4.699 6.036) 7.649 9.191 ( 0.000 -34.836 -12.145) 36.892 14.319 ( 0.000 -2.930 -5.250) 6.012 14.865 ( -0.000 13.273 8.032) 15.514 16.314 ( 0.000 -2.605 -10.106) 10.437 16.346 ( -0.000 23.055 8.314) 24.509 19.014 ( -0.000 11.351 20.232) 23.199 20.570 ( 0.000 -1.787 -16.870) 16.964 ======================= Grid point 1530 (489/670) ======================= q-point: ( 0.21 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.697 ( -0.000 0.000 17.851) 17.851 0.697 ( -0.000 0.000 17.851) 17.851 2.830 ( -0.000 0.000 73.705) 73.705 3.890 ( 0.000 -0.000 -10.128) 10.128 3.890 ( 0.000 -0.000 -10.128) 10.128 9.017 ( 0.000 -0.000 -30.120) 30.120 14.673 ( -0.000 0.000 9.202) 9.202 14.673 ( -0.000 0.000 9.202) 9.202 17.348 ( 0.000 -0.000 -9.474) 9.474 17.348 ( 0.000 -0.000 -9.474) 9.474 19.667 ( -0.000 0.000 5.588) 5.588 21.152 ( 0.000 -0.000 -6.044) 6.044 ======================= Grid point 1531 (490/670) ======================= q-point: ( 0.26 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( 22.546 13.017 14.767) 29.930 1.150 ( 29.272 16.900 13.966) 36.572 3.161 ( 8.998 5.195 69.990) 70.757 3.839 ( -0.022 -0.013 -11.428) 11.428 3.918 ( 4.294 2.479 -11.203) 12.251 8.905 ( -1.336 -0.771 -31.410) 31.448 14.715 ( -0.097 -0.056 9.968) 9.969 14.717 ( 2.413 1.393 9.422) 9.825 17.234 ( -6.152 -3.552 -9.939) 12.217 17.501 ( 11.335 6.544 -18.002) 22.257 19.669 ( -1.207 -0.697 5.171) 5.356 21.054 ( -5.892 -3.402 -2.294) 7.179 ======================= Grid point 1532 (491/670) ======================= q-point: ( 0.32 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( 27.564 15.914 14.026) 34.782 1.824 ( 22.775 13.149 15.717) 30.637 3.635 ( 11.738 6.777 61.317) 62.798 3.818 ( 1.615 0.932 -13.395) 13.524 4.086 ( 17.275 9.974 -13.280) 23.964 8.764 ( -2.447 -1.413 -30.607) 30.737 14.732 ( -1.230 -0.710 10.733) 10.827 14.840 ( 5.677 3.278 9.713) 11.718 17.009 ( -10.618 -6.130 -10.057) 15.857 17.626 ( 4.270 2.466 -21.568) 22.125 19.644 ( -2.071 -1.196 2.643) 3.564 20.915 ( -5.790 -3.343 1.829) 6.932 ======================= Grid point 1533 (492/670) ======================= q-point: ( 0.37 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( 9.373 5.412 13.920) 17.633 2.415 ( 27.546 15.904 16.132) 35.664 3.839 ( 4.775 2.757 -16.642) 17.531 3.985 ( 7.231 4.175 43.900) 44.687 4.727 ( 37.713 21.774 -3.553) 43.692 8.609 ( -3.137 -1.811 -27.208) 27.449 14.728 ( -1.980 -1.143 11.346) 11.574 15.032 ( 8.187 4.727 10.096) 13.831 16.693 ( -14.105 -8.144 -9.952) 19.087 17.567 ( -3.437 -1.984 -19.418) 19.819 19.585 ( -3.294 -1.902 -1.768) 4.194 20.804 ( -4.917 -2.839 4.994) 7.561 ======================= Grid point 1534 (493/670) ======================= q-point: ( 0.42 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.370 ( 0.513 0.296 5.573) 5.605 3.026 ( 19.015 10.979 18.588) 28.769 3.983 ( 14.623 8.443 -19.630) 25.893 4.328 ( 11.109 6.414 44.946) 46.741 5.644 ( 41.876 24.177 -8.436) 49.084 8.465 ( -2.420 -1.397 -20.171) 20.364 14.716 ( -2.155 -1.244 11.724) 11.985 15.270 ( 9.619 5.554 10.558) 15.324 16.311 ( -16.378 -9.456 -9.816) 21.307 17.363 ( -9.259 -5.346 -16.565) 19.715 19.480 ( -4.757 -2.746 -6.987) 8.887 20.719 ( -4.328 -2.499 8.301) 9.689 ======================= Grid point 1535 (494/670) ======================= q-point: ( 0.47 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.333 ( -3.636 -2.099 -2.038) 4.667 3.333 ( 4.740 2.737 10.959) 12.250 4.441 ( 28.404 16.399 -12.244) 35.009 4.771 ( 14.925 8.617 46.425) 49.520 6.495 ( 33.657 19.432 -19.476) 43.470 8.421 ( 4.178 2.412 -7.340) 8.784 14.707 ( -1.773 -1.024 11.895) 12.070 15.527 ( 9.659 5.576 11.050) 15.700 15.894 ( -17.106 -9.876 -9.834) 22.065 17.049 ( -13.866 -8.005 -14.482) 21.589 19.328 ( -5.752 -3.321 -12.020) 13.733 20.656 ( -3.883 -2.242 11.547) 12.387 ======================= Grid point 1536 (495/670) ======================= q-point: ( 0.53 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( -5.112 -2.952 -6.904) 9.084 3.394 ( -0.101 -0.058 3.378) 3.380 5.108 ( 30.606 17.670 -4.679) 35.649 5.289 ( 17.761 10.255 44.268) 48.788 6.937 ( 10.494 6.059 -29.046) 31.472 8.707 ( 21.444 12.381 5.835) 25.440 14.711 ( -1.091 -0.630 11.951) 12.017 15.462 ( -16.583 -9.574 -9.423) 21.341 15.788 ( 8.809 5.086 10.806) 14.840 16.647 ( -17.241 -9.954 -13.390) 23.992 19.150 ( -5.698 -3.290 -16.246) 17.528 20.612 ( -3.494 -2.017 14.262) 14.822 ======================= Grid point 1537 (496/670) ======================= q-point: ( 0.58 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( -4.801 -2.772 -9.825) 11.281 3.379 ( -1.389 -0.802 -0.296) 1.631 5.764 ( 26.702 15.417 -0.788) 30.843 5.847 ( 19.342 11.167 39.384) 45.276 6.872 ( -6.362 -3.673 -24.912) 25.973 9.334 ( 28.453 16.427 7.050) 33.602 14.729 ( -0.689 -0.398 11.954) 11.981 15.071 ( -14.448 -8.341 -10.361) 19.639 16.008 ( 7.176 4.143 11.553) 14.218 16.193 ( -18.191 -10.503 -13.156) 24.785 18.977 ( -4.344 -2.508 -19.441) 20.077 20.584 ( -3.170 -1.830 16.242) 16.649 ======================= Grid point 1538 (497/670) ======================= q-point: ( 0.63 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.947 ( -2.851 -1.646 -11.635) 12.091 3.337 ( -1.832 -1.058 -2.220) 3.066 6.296 ( 19.094 11.024 1.526) 22.101 6.376 ( 12.117 6.996 21.885) 25.976 6.593 ( -6.866 -3.964 -5.458) 9.626 9.948 ( 21.918 12.655 5.315) 25.861 14.740 ( -2.117 -1.222 11.534) 11.790 14.754 ( -10.018 -5.784 -11.068) 16.010 15.772 ( -13.792 -7.963 -13.128) 20.639 16.181 ( 4.681 2.703 11.848) 13.023 18.841 ( -1.745 -1.007 -21.603) 21.696 20.567 ( -2.923 -1.688 17.515) 17.837 ======================= Grid point 1539 (498/670) ======================= q-point: ( 0.68 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( 0.492 0.284 -12.797) 12.809 3.284 ( -2.049 -1.183 -3.257) 4.026 6.090 ( -19.659 -11.350 -8.871) 24.372 6.625 ( 8.637 4.987 2.941) 10.398 6.982 ( 18.829 10.871 26.565) 34.327 10.310 ( 7.321 4.227 4.291) 9.480 14.560 ( -3.597 -2.077 -11.520) 12.246 14.672 ( -6.870 -3.967 8.639) 11.729 15.550 ( -1.231 -0.711 -10.896) 10.988 16.294 ( 1.889 1.090 11.982) 12.179 18.771 ( 1.724 0.995 -22.758) 22.845 20.558 ( -2.717 -1.569 18.181) 18.450 ======================= Grid point 1540 (499/670) ======================= q-point: (-0.26 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.894 ( 4.329 2.499 -13.537) 14.431 3.223 ( -2.359 -1.362 -3.698) 4.593 5.573 ( -23.871 -13.782 -0.657) 27.572 6.699 ( -3.029 -1.749 3.505) 4.952 7.469 ( 17.244 9.956 18.694) 27.312 10.281 ( -11.085 -6.400 4.172) 13.463 14.514 ( -7.608 -4.393 5.209) 10.214 14.525 ( 3.623 2.092 -11.342) 12.089 15.639 ( 10.573 6.105 -7.955) 14.572 16.343 ( -0.732 -0.422 11.922) 11.952 18.781 ( 5.352 3.090 -22.902) 23.721 20.555 ( -2.478 -1.431 18.311) 18.533 ======================= Grid point 1541 (500/670) ======================= q-point: (-0.21 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.987 ( 7.276 4.201 -14.077) 16.394 3.150 ( -3.089 -1.784 -3.616) 5.080 5.007 ( -26.380 -15.231 8.263) 31.562 6.517 ( -13.448 -7.764 3.221) 15.859 7.873 ( 13.986 8.075 8.758) 18.371 9.853 ( -26.484 -15.291 5.669) 31.102 14.386 ( -4.806 -2.775 4.671) 7.254 14.645 ( 9.446 5.453 -10.274) 14.984 15.941 ( 17.108 9.877 -7.598) 21.165 16.340 ( -2.517 -1.453 11.482) 11.844 18.869 ( 8.279 4.780 -22.047) 24.030 20.559 ( -2.116 -1.222 17.898) 18.064 ======================= Grid point 1550 (501/670) ======================= q-point: ( 0.26 0.26 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( -0.000 19.935 14.786) 24.820 1.319 ( -0.000 35.755 16.228) 39.265 3.391 ( -0.000 11.620 68.067) 69.051 3.796 ( 0.000 -0.797 -12.008) 12.035 3.883 ( 0.000 4.068 -10.752) 11.496 8.807 ( 0.000 -0.851 -33.417) 33.428 14.694 ( -0.000 -2.471 10.088) 10.386 14.799 ( -0.000 5.111 9.970) 11.204 17.253 ( 0.000 -4.620 -10.199) 11.197 17.395 ( 0.000 8.987 -17.060) 19.282 19.682 ( -0.000 -2.116 5.414) 5.813 21.050 ( 0.000 -5.320 -3.142) 6.178 ======================= Grid point 1551 (502/670) ======================= q-point: ( 0.32 0.26 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( 21.836 19.617 12.944) 32.081 1.827 ( 10.915 29.953 19.185) 37.207 3.761 ( 2.154 2.784 -13.762) 14.205 3.795 ( 4.490 13.347 61.234) 62.832 3.941 ( 6.599 8.657 -12.213) 16.359 8.684 ( -1.148 -0.758 -33.329) 33.357 14.719 ( 1.818 -3.209 10.722) 11.339 14.891 ( 0.526 7.031 10.074) 12.296 17.077 ( -8.072 -6.770 -10.425) 14.821 17.489 ( 6.265 3.227 -20.129) 21.327 19.660 ( -1.135 -3.397 3.826) 5.241 20.962 ( -3.342 -4.118 -0.188) 5.307 ======================= Grid point 1552 (503/670) ======================= q-point: ( 0.37 0.26 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( 22.795 14.160 12.463) 29.588 2.307 ( 10.476 17.887 21.334) 29.746 3.766 ( 2.038 3.576 -14.879) 15.438 4.057 ( 5.983 7.873 19.773) 22.107 4.454 ( 23.013 27.345 18.904) 40.432 8.551 ( -1.957 -0.422 -30.684) 30.749 14.745 ( 0.920 -3.584 11.293) 11.884 15.031 ( 3.484 8.210 10.223) 13.566 16.796 ( -11.462 -9.279 -10.149) 17.902 17.498 ( 1.385 -2.551 -19.767) 19.979 19.598 ( -2.225 -4.717 0.343) 5.227 20.869 ( -4.029 -2.440 3.002) 5.585 ======================= Grid point 1553 (504/670) ======================= q-point: ( 0.42 0.26 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.385 ( 1.941 1.807 9.341) 9.710 2.833 ( 22.085 13.106 20.155) 32.645 3.835 ( 6.201 9.028 -17.552) 20.689 4.371 ( 9.941 11.181 31.618) 34.979 5.265 ( 31.821 31.281 2.537) 44.694 8.428 ( -1.878 0.525 -24.694) 24.771 14.749 ( -0.407 -3.497 11.525) 12.051 15.233 ( 6.509 8.247 10.556) 14.894 16.444 ( -14.091 -10.591 -9.778) 20.158 17.368 ( -4.335 -6.484 -17.483) 19.144 19.490 ( -3.507 -5.952 -4.254) 8.113 20.795 ( -4.024 -1.468 6.134) 7.481 ======================= Grid point 1554 (505/670) ======================= q-point: ( 0.47 0.26 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.369 ( -3.529 -2.900 1.602) 4.840 3.262 ( 10.566 1.473 15.179) 18.553 4.141 ( 20.460 18.761 -12.547) 30.463 4.799 ( 12.240 14.004 38.811) 43.038 6.108 ( 31.471 27.623 -12.372) 43.664 8.373 ( 1.467 3.693 -13.766) 14.328 14.736 ( -0.813 -4.022 11.415) 12.131 15.474 ( 8.244 7.653 10.952) 15.700 16.052 ( -15.889 -10.064 -9.425) 21.037 17.119 ( -9.495 -9.090 -15.273) 20.151 19.335 ( -4.653 -6.661 -8.962) 12.097 20.738 ( -3.834 -1.165 9.143) 9.983 ======================= Grid point 1555 (506/670) ======================= q-point: ( 0.53 0.26 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.250 ( -5.125 -4.249 -4.379) 7.968 3.374 ( 2.260 -2.782 5.136) 6.263 4.756 ( 28.227 19.445 -0.398) 34.279 5.300 ( 14.164 16.923 37.831) 43.797 6.706 ( 17.512 15.112 -25.845) 34.684 8.542 ( 13.424 12.042 1.002) 18.061 14.711 ( -0.227 -6.464 10.735) 12.533 15.656 ( -16.549 -6.918 -8.817) 19.986 15.726 ( 8.371 6.788 11.253) 15.581 16.773 ( -13.954 -10.546 -13.825) 22.295 19.150 ( -5.110 -6.471 -13.146) 15.518 20.696 ( -3.484 -1.347 11.765) 12.344 ======================= Grid point 1556 (507/670) ======================= q-point: ( 0.58 0.26 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( -5.226 -3.928 -8.351) 10.606 3.367 ( 0.140 -3.493 0.476) 3.528 5.427 ( 27.582 15.240 7.815) 32.466 5.845 ( 15.291 19.452 31.359) 39.945 6.838 ( -0.182 2.285 -27.489) 27.584 9.060 ( 25.097 17.909 7.014) 31.619 14.654 ( 0.773 -12.810 8.106) 15.178 15.315 ( -16.185 1.324 -6.588) 17.525 15.957 ( 7.470 4.502 11.262) 14.244 16.359 ( -16.870 -9.923 -12.992) 23.492 18.960 ( -4.518 -5.219 -16.545) 17.927 20.664 ( -2.992 -1.866 13.839) 14.281 ======================= Grid point 1557 (508/670) ======================= q-point: ( 0.63 0.26 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( -4.082 -2.474 -10.960) 11.955 3.325 ( -0.447 -3.769 -1.682) 4.152 6.031 ( 23.529 11.306 11.250) 28.425 6.371 ( 12.079 16.911 21.092) 29.610 6.669 ( -7.635 -1.634 -16.530) 18.282 9.691 ( 24.801 14.535 6.162) 29.399 14.520 ( 0.873 -19.768 1.818) 19.871 15.107 ( -13.557 10.208 -0.726) 16.986 15.907 ( -15.093 -8.823 -12.306) 21.379 16.171 ( 4.134 4.316 10.508) 12.089 18.799 ( -2.795 -2.957 -19.087) 19.516 20.641 ( -2.416 -2.568 15.335) 15.735 ======================= Grid point 1558 (509/670) ======================= q-point: ( 0.68 0.26 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( -1.597 -0.160 -12.683) 12.785 3.270 ( -0.593 -3.903 -2.730) 4.800 6.268 ( -15.583 -7.738 -11.170) 20.676 6.511 ( 14.855 9.458 8.222) 19.435 6.912 ( 13.260 15.047 22.044) 29.802 10.170 ( 15.642 5.851 4.959) 17.422 14.339 ( 2.334 -19.858 -2.893) 20.203 14.999 ( -13.430 10.934 2.440) 17.489 15.591 ( -8.469 -1.189 -12.626) 15.249 16.305 ( 2.912 2.187 11.512) 12.074 18.696 ( -0.110 0.011 -20.741) 20.741 20.625 ( -1.825 -3.266 16.289) 16.714 ======================= Grid point 1559 (510/670) ======================= q-point: (-0.26 0.26 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( 1.876 2.505 -13.745) 14.096 3.211 ( -0.718 -3.934 -3.099) 5.059 5.833 ( -21.044 -10.605 -3.301) 23.795 6.758 ( 1.410 6.668 4.778) 8.323 7.345 ( 14.890 10.150 19.173) 26.312 10.333 ( 0.152 -4.755 4.549) 6.583 14.214 ( 6.190 -17.708 -3.438) 19.071 14.865 ( -13.660 11.116 -1.057) 17.643 15.553 ( 3.676 6.971 -8.941) 11.919 16.381 ( 0.463 0.285 11.385) 11.398 18.671 ( 3.103 3.105 -21.461) 21.905 20.615 ( -1.268 -3.777 16.741) 17.208 ======================= Grid point 1560 (511/670) ======================= q-point: (-0.21 0.26 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( 5.257 4.715 -14.270) 15.922 3.147 ( -1.164 -3.939 -2.908) 5.033 5.330 ( -24.413 -12.219 5.697) 27.888 6.718 ( -11.948 1.516 3.294) 12.486 7.731 ( 14.398 6.496 11.154) 19.337 10.107 ( -16.986 -13.443 5.283) 22.297 14.180 ( 9.386 -15.305 -0.717) 17.968 14.795 ( -7.951 14.990 -4.346) 17.516 15.756 ( 12.235 9.772 -7.490) 17.357 16.400 ( -1.669 -1.008 10.859) 11.032 18.729 ( 6.191 5.637 -21.226) 22.818 20.611 ( -0.765 -3.981 16.695) 17.180 ======================= Grid point 1570 (512/670) ======================= q-point: ( 0.32 0.32 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( -0.000 26.850 13.363) 29.992 2.106 ( -0.000 28.111 23.934) 36.919 3.720 ( 0.000 4.667 -18.130) 18.721 3.921 ( 0.000 7.113 -12.087) 14.025 4.127 ( -0.000 21.982 58.002) 62.028 8.585 ( 0.000 0.095 -34.012) 34.012 14.707 ( -0.000 -2.767 11.204) 11.540 14.990 ( -0.000 7.678 9.957) 12.574 17.043 ( 0.000 -9.766 -10.851) 14.598 17.394 ( 0.000 2.003 -19.279) 19.383 19.637 ( -0.000 -5.521 3.166) 6.364 20.950 ( -0.000 -3.348 0.188) 3.354 ======================= Grid point 1571 (513/670) ======================= q-point: ( 0.37 0.32 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( 13.423 23.504 13.161) 30.097 2.440 ( 2.960 14.705 25.849) 29.885 3.750 ( 0.892 9.420 -15.571) 18.220 4.031 ( 7.602 11.306 -8.854) 16.248 4.596 ( 7.332 28.462 43.454) 52.460 8.480 ( -0.848 1.207 -32.208) 32.241 14.726 ( 1.045 -2.978 11.659) 12.079 15.110 ( 1.186 8.456 9.859) 13.042 16.830 ( -7.576 -11.194 -10.800) 17.301 17.368 ( 2.780 -3.235 -18.339) 18.829 19.569 ( -1.154 -7.420 0.923) 7.566 20.909 ( -2.082 -1.709 2.048) 3.384 ======================= Grid point 1572 (514/670) ======================= q-point: ( 0.42 0.32 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.394 ( 5.108 7.438 10.211) 13.627 2.715 ( 12.510 9.498 22.346) 27.314 3.831 ( 1.386 13.756 -14.406) 19.967 4.364 ( 13.821 16.085 9.556) 23.260 5.214 ( 16.572 34.035 20.337) 42.972 8.389 ( -1.029 2.854 -27.209) 27.377 14.746 ( 0.479 -3.477 11.731) 12.245 15.265 ( 3.566 8.477 10.035) 13.612 16.520 ( -11.035 -11.744 -10.244) 19.095 17.283 ( -0.389 -7.553 -16.640) 18.278 19.456 ( -2.321 -8.914 -2.398) 9.518 20.863 ( -3.071 -0.537 4.321) 5.328 ======================= Grid point 1573 (515/670) ======================= q-point: ( 0.47 0.32 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.404 ( -3.673 -4.179 3.727) 6.696 3.117 ( 13.787 2.838 17.886) 22.761 4.048 ( 10.027 22.459 -11.290) 27.063 4.831 ( 14.196 17.093 25.958) 34.169 5.923 ( 21.909 32.977 -1.944) 39.639 8.353 ( 0.847 6.157 -17.790) 18.844 14.739 ( -0.834 -4.740 11.211) 12.201 15.459 ( 6.114 7.067 10.455) 14.022 16.172 ( -12.879 -9.871 -9.482) 18.794 17.099 ( -4.909 -10.274 -14.714) 18.605 19.300 ( -3.418 -9.691 -6.098) 11.949 20.820 ( -3.510 -0.206 6.606) 7.484 ======================= Grid point 1574 (516/670) ======================= q-point: ( 0.53 0.32 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.275 ( -4.911 -6.240 -2.183) 8.235 3.299 ( 4.814 -3.770 8.299) 10.308 4.552 ( 20.845 25.286 0.163) 32.771 5.340 ( 14.396 18.358 30.346) 38.278 6.519 ( 16.657 22.563 -19.638) 34.237 8.479 ( 8.212 13.175 -4.005) 16.032 14.685 ( -2.020 -8.382 9.739) 13.007 15.654 ( 5.603 0.498 8.729) 10.385 15.861 ( -11.333 -0.113 -5.987) 12.817 16.824 ( -9.416 -11.456 -13.215) 19.863 19.115 ( -4.079 -9.430 -9.654) 14.098 20.779 ( -3.580 -0.615 8.736) 9.461 ======================= Grid point 1575 (517/670) ======================= q-point: ( 0.58 0.32 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.115 ( -4.914 -5.680 -6.462) 9.908 3.315 ( 1.195 -5.057 2.517) 5.774 5.192 ( 23.649 21.063 9.658) 33.109 5.876 ( 15.094 20.408 26.373) 36.604 6.772 ( 3.671 8.826 -27.108) 28.744 8.886 ( 18.735 19.344 5.272) 27.440 14.554 ( -2.848 -14.829 6.509) 16.443 15.541 ( -10.224 -0.197 -3.664) 10.862 15.927 ( 5.275 6.199 9.253) 12.324 16.479 ( -12.971 -10.186 -12.119) 20.466 18.922 ( -3.911 -7.924 -12.801) 15.555 20.739 ( -3.310 -1.597 10.617) 11.235 ======================= Grid point 1576 (518/670) ======================= q-point: ( 0.63 0.32 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.963 ( -4.211 -3.723 -9.498) 11.037 3.275 ( 0.177 -5.571 -0.157) 5.576 5.811 ( 22.217 15.583 15.391) 31.198 6.407 ( 13.088 20.741 18.305) 30.604 6.713 ( -4.808 1.713 -21.950) 22.536 9.455 ( 22.248 16.588 6.357) 28.470 14.343 ( -2.609 -19.837 2.222) 20.131 15.399 ( -10.007 7.554 -0.559) 12.551 15.998 ( -6.942 -6.650 -3.906) 10.377 16.212 ( -2.554 2.888 1.980) 4.334 18.754 ( -2.754 -5.153 -15.408) 16.479 20.700 ( -2.723 -2.947 12.200) 12.843 ======================= Grid point 1577 (519/670) ======================= q-point: ( 0.68 0.32 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.847 ( -2.625 -0.825 -11.616) 11.937 3.217 ( 0.093 -5.914 -1.411) 6.081 6.320 ( 11.595 6.244 6.484) 14.679 6.461 ( -5.969 2.337 -3.675) 7.389 6.931 ( 11.539 19.288 12.329) 25.635 9.953 ( 18.270 7.530 5.409) 20.488 14.114 ( -0.340 -20.519 -0.901) 20.542 15.317 ( -10.825 9.112 2.070) 14.300 15.712 ( -11.128 -2.166 -12.076) 16.564 16.313 ( 3.028 3.402 9.886) 10.885 18.639 ( -0.745 -1.404 -17.382) 17.454 20.663 ( -1.869 -4.387 13.452) 14.272 ======================= Grid point 1578 (520/670) ======================= q-point: ( 0.74 0.32 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( -0.076 2.468 -12.980) 13.213 3.156 ( 0.300 -6.022 -1.849) 6.306 6.063 ( -17.692 -7.021 -6.743) 20.194 6.776 ( 10.064 10.195 12.450) 18.980 7.308 ( 8.583 14.092 11.532) 20.130 10.226 ( 8.465 -3.431 4.808) 10.322 13.940 ( 3.614 -18.482 -2.031) 18.941 15.188 ( -13.106 7.681 -0.921) 15.218 15.591 ( -2.433 7.610 -8.834) 11.911 16.406 ( 1.333 1.096 10.166) 10.312 18.597 ( 1.762 2.632 -18.652) 18.919 20.633 ( -0.862 -5.593 14.342) 15.418 ======================= Grid point 1579 (521/670) ======================= q-point: (-0.21 0.32 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( 2.935 5.335 -13.653) 14.950 3.097 ( 0.359 -5.837 -1.656) 6.078 5.634 ( -21.796 -8.926 2.132) 23.650 6.946 ( -5.517 8.506 6.059) 11.811 7.601 ( 10.567 6.518 9.338) 15.535 10.190 ( -5.501 -12.105 5.074) 14.232 13.869 ( 8.305 -15.188 -1.140) 17.348 15.071 ( -9.823 11.392 -3.566) 15.459 15.684 ( 4.985 10.028 -6.488) 12.942 16.444 ( -0.641 -0.640 9.743) 9.785 18.635 ( 4.351 6.037 -19.192) 20.584 20.613 ( 0.119 -6.312 14.826) 16.115 ======================= Grid point 1590 (522/670) ======================= q-point: ( 0.37 0.37 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.164 ( -0.000 25.506 14.365) 29.273 2.593 ( -0.000 2.894 23.842) 24.017 3.862 ( 0.000 21.167 -8.845) 22.941 4.028 ( 0.000 12.451 -14.112) 18.819 4.963 ( -0.000 30.928 38.931) 49.720 8.409 ( 0.000 3.146 -31.343) 31.501 14.728 ( -0.000 -2.352 11.993) 12.221 15.211 ( -0.000 8.017 9.504) 12.434 16.743 ( 0.000 -12.967 -11.442) 17.293 17.246 ( 0.000 -5.433 -16.230) 17.115 19.496 ( 0.000 -9.725 0.171) 9.726 20.921 ( -0.000 -0.584 2.257) 2.331 ======================= Grid point 1591 (523/670) ======================= q-point: ( 0.42 0.37 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.466 ( 0.935 11.829 11.869) 16.783 2.676 ( 6.687 0.671 18.209) 19.410 3.991 ( -4.492 20.952 -8.981) 23.235 4.317 ( 13.912 21.607 0.518) 25.703 5.439 ( 6.229 34.055 24.658) 42.503 8.356 ( -0.288 5.646 -27.388) 27.965 14.746 ( 0.214 -2.396 11.961) 12.200 15.328 ( 1.651 6.795 9.447) 11.753 16.519 ( -6.436 -12.496 -11.232) 17.993 17.142 ( 1.090 -9.020 -14.335) 16.972 19.379 ( -1.146 -11.373 -1.522) 11.531 20.914 ( -1.610 0.330 3.149) 3.552 ======================= Grid point 1592 (524/670) ======================= q-point: ( 0.47 0.37 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.431 ( -4.291 -7.310 4.369) 9.536 2.985 ( 11.937 5.392 16.914) 21.393 4.160 ( 1.891 26.130 -8.381) 27.506 4.823 ( 15.624 21.274 16.148) 30.943 5.984 ( 11.344 33.963 5.285) 36.195 8.357 ( 0.894 9.556 -19.326) 21.578 14.748 ( -1.173 -3.760 11.181) 11.855 15.460 ( 3.964 3.697 9.722) 11.131 16.238 ( -9.134 -8.702 -10.155) 16.195 16.998 ( -1.218 -11.785 -12.751) 17.406 19.224 ( -2.193 -12.160 -3.747) 12.912 20.893 ( -2.722 0.586 4.319) 5.138 ======================= Grid point 1593 (525/670) ======================= q-point: ( 0.53 0.37 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.275 ( -4.384 -9.182 -0.659) 10.196 3.201 ( 6.149 -2.031 10.829) 12.617 4.546 ( 11.772 29.703 -0.493) 31.955 5.353 ( 15.399 19.554 22.743) 33.716 6.476 ( 10.711 26.383 -13.503) 31.514 8.489 ( 5.513 16.017 -7.316) 18.452 14.682 ( -3.857 -8.085 9.169) 12.819 15.581 ( 5.077 -2.476 8.693) 10.366 16.013 ( -8.094 1.148 -6.647) 10.536 16.786 ( -4.748 -12.827 -11.532) 17.890 19.044 ( -2.932 -11.859 -6.163) 13.683 20.859 ( -3.405 0.093 5.599) 6.554 ======================= Grid point 1594 (526/670) ======================= q-point: ( 0.58 0.37 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.108 ( -4.005 -8.113 -4.296) 10.016 3.251 ( 1.677 -4.881 5.079) 7.242 5.101 ( 17.494 26.211 9.086) 32.796 5.884 ( 15.907 20.026 20.569) 32.820 6.743 ( 3.356 14.397 -24.024) 28.208 8.831 ( 12.802 21.455 2.414) 25.100 14.504 ( -6.203 -14.784 5.815) 17.054 15.609 ( 0.020 -3.197 2.956) 4.354 15.978 ( -1.089 7.124 2.323) 7.572 16.520 ( -7.939 -10.869 -10.580) 17.121 18.858 ( -3.017 -10.252 -8.547) 13.685 20.813 ( -3.665 -1.080 6.931) 7.915 ======================= Grid point 1595 (527/670) ======================= q-point: ( 0.63 0.37 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( -3.347 -5.522 -7.092) 9.591 3.217 ( -0.073 -6.038 1.851) 6.316 5.682 ( 18.461 19.205 16.410) 31.288 6.424 ( 16.120 22.274 13.617) 30.682 6.752 ( -4.231 5.853 -23.188) 24.287 9.313 ( 16.692 18.968 5.251) 25.806 14.233 ( -6.343 -19.296 2.453) 20.460 15.582 ( -3.936 4.041 1.420) 5.817 16.014 ( -2.390 -3.640 0.599) 4.395 16.297 ( -4.956 0.267 -4.021) 6.388 18.694 ( -2.195 -7.246 -10.759) 13.156 20.756 ( -3.461 -2.783 8.278) 9.394 ======================= Grid point 1596 (528/670) ======================= q-point: ( 0.68 0.37 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( -2.335 -1.857 -9.263) 9.732 3.151 ( -0.308 -6.847 0.221) 6.858 6.189 ( 15.810 10.777 15.342) 24.525 6.604 ( -9.073 2.839 -11.389) 14.835 6.952 ( 14.179 23.237 5.722) 27.816 9.757 ( 15.542 9.530 5.095) 18.930 13.947 ( -4.010 -20.099 0.116) 20.496 15.554 ( -6.862 6.311 2.593) 9.677 15.825 ( -8.506 -3.648 -9.196) 13.047 16.336 ( 1.830 4.603 6.266) 7.987 18.582 ( -0.545 -3.024 -12.699) 13.066 20.692 ( -2.736 -4.746 9.605) 11.058 ======================= Grid point 1597 (529/670) ======================= q-point: ( 0.74 0.37 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( -0.823 2.298 -10.860) 11.131 3.079 ( 0.245 -7.352 -0.424) 7.368 6.250 ( -12.305 -2.827 -10.034) 16.127 6.712 ( 12.206 7.959 19.720) 24.519 7.380 ( 7.331 21.676 2.298) 22.997 10.038 ( 10.749 -2.358 4.662) 11.952 13.718 ( 0.192 -18.277 -1.001) 18.305 15.450 ( -10.764 3.859 -0.497) 11.446 15.705 ( -4.304 7.173 -7.436) 11.193 16.424 ( 1.517 2.113 8.007) 8.419 18.541 ( 1.470 1.744 -14.328) 14.508 20.631 ( -1.505 -6.589 10.870) 12.800 ======================= Grid point 1598 (530/670) ======================= q-point: (-0.21 0.37 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( 1.146 6.033 -11.872) 13.366 3.015 ( 1.028 -7.358 -0.329) 7.437 5.913 ( -18.748 -5.159 -2.140) 19.563 7.032 ( 8.730 5.757 14.861) 18.172 7.627 ( -0.202 15.173 0.267) 15.177 10.102 ( 3.070 -11.618 4.769) 12.928 13.597 ( 5.411 -14.844 -0.775) 15.818 15.323 ( -9.266 8.046 -3.344) 12.719 15.730 ( -0.605 9.207 -4.976) 10.483 16.473 ( 0.016 -0.078 8.110) 8.110 18.575 ( 3.351 5.969 -15.666) 17.096 20.581 ( 0.038 -7.911 11.992) 14.366 ======================= Grid point 1610 (531/670) ======================= q-point: ( 0.42 0.42 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.559 ( -0.000 -12.935 9.034) 15.778 2.694 ( -0.000 17.541 15.201) 23.211 4.269 ( 0.000 21.825 -15.378) 26.699 4.407 ( -0.000 28.306 14.549) 31.827 5.795 ( -0.000 34.249 16.994) 38.233 8.348 ( 0.000 9.145 -24.572) 26.218 14.764 ( -0.000 -1.525 11.895) 11.992 15.395 ( -0.000 3.355 9.041) 9.644 16.419 ( 0.000 -11.053 -11.939) 16.270 16.990 ( 0.000 -11.353 -11.653) 16.269 19.262 ( 0.000 -13.083 -1.466) 13.165 20.943 ( -0.000 0.969 2.593) 2.768 ======================= Grid point 1611 (532/670) ======================= q-point: ( 0.47 0.42 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.410 ( -3.022 -13.385 3.891) 14.263 2.945 ( 6.220 8.992 14.654) 18.283 4.422 ( -2.741 28.492 -9.267) 30.086 4.857 ( 11.692 24.438 18.119) 32.592 6.201 ( 4.250 32.731 3.036) 33.145 8.399 ( 0.834 13.955 -18.001) 22.792 14.776 ( -1.355 -2.003 11.104) 11.364 15.445 ( 2.093 -2.537 8.668) 9.271 16.252 ( -4.632 -5.309 -10.913) 12.989 16.839 ( 0.495 -13.837 -9.841) 16.986 19.113 ( -1.030 -13.859 -2.012) 14.042 20.949 ( -1.499 1.131 2.491) 3.120 ======================= Grid point 1612 (533/670) ======================= q-point: ( 0.53 0.42 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.232 ( -3.129 -12.717 0.464) 13.105 3.135 ( 4.727 1.155 11.373) 12.370 4.717 ( 4.218 31.967 -2.189) 32.318 5.361 ( 13.791 20.487 20.312) 31.976 6.571 ( 4.977 26.654 -12.328) 29.786 8.563 ( 3.849 20.261 -8.366) 22.255 14.716 ( -5.277 -6.447 8.779) 12.103 15.476 ( 4.730 -7.339 7.802) 11.710 16.124 ( -5.142 3.022 -7.141) 9.304 16.665 ( -0.924 -14.651 -9.006) 17.223 18.944 ( -1.803 -13.515 -2.969) 13.954 20.929 ( -2.753 0.662 2.725) 3.929 ======================= Grid point 1613 (534/670) ======================= q-point: ( 0.58 0.42 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( -2.677 -10.802 -1.869) 11.285 3.202 ( 1.334 -3.096 6.931) 7.708 5.164 ( 10.496 29.418 6.999) 32.009 5.862 ( 15.356 18.956 16.639) 29.529 6.793 ( 1.263 17.590 -21.759) 28.008 8.882 ( 8.324 24.581 -0.329) 25.954 14.511 ( -9.058 -13.802 5.304) 17.340 15.529 ( 5.855 -4.665 6.670) 10.026 16.082 ( -3.455 4.476 -2.090) 6.028 16.472 ( -2.789 -10.994 -8.648) 14.263 18.772 ( -2.074 -11.849 -4.187) 12.737 20.884 ( -3.660 -0.483 3.242) 4.913 ======================= Grid point 1614 (535/670) ======================= q-point: ( 0.63 0.42 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.921 ( -1.914 -7.648 -3.735) 8.724 3.178 ( -0.932 -5.099 3.581) 6.300 5.663 ( 13.058 21.433 15.540) 29.519 6.378 ( 17.474 20.793 7.473) 28.170 6.838 ( -3.931 10.740 -21.096) 23.997 9.292 ( 10.777 21.854 2.888) 24.537 14.194 ( -9.830 -18.146 2.547) 20.794 15.615 ( 3.776 0.809 5.306) 6.563 16.022 ( -3.638 -5.853 -1.611) 7.077 16.349 ( -1.962 1.310 -4.974) 5.505 18.621 ( -1.560 -8.747 -5.548) 10.475 20.815 ( -4.103 -2.240 4.017) 6.164 ======================= Grid point 1615 (536/670) ======================= q-point: ( 0.68 0.42 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( -0.986 -3.329 -5.418) 6.435 3.103 ( -1.699 -6.438 1.548) 6.836 6.104 ( 12.626 11.407 16.922) 23.997 6.732 ( -4.762 5.514 -15.756) 17.359 6.949 ( 14.647 25.426 2.739) 29.471 9.658 ( 9.892 12.222 3.464) 16.101 13.857 ( -7.965 -18.857 0.756) 20.484 15.684 ( -1.112 3.305 4.655) 5.816 15.863 ( -4.178 -5.807 -6.029) 9.355 16.378 ( 0.569 5.275 1.266) 5.454 18.520 ( -0.178 -4.331 -6.989) 8.224 20.726 ( -3.925 -4.412 5.047) 7.768 ======================= Grid point 1616 (537/670) ======================= q-point: ( 0.74 0.42 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( -0.053 1.708 -6.994) 7.200 3.011 ( -1.197 -7.513 0.578) 7.630 6.341 ( -0.634 2.330 -3.824) 4.522 6.686 ( 2.227 3.480 11.164) 11.904 7.465 ( 11.985 27.413 -1.307) 29.947 9.873 ( 7.187 -0.843 3.516) 8.045 13.572 ( -4.027 -17.111 -0.266) 17.581 15.622 ( -6.953 -0.134 0.142) 6.955 15.807 ( -1.679 5.574 -4.467) 7.337 16.447 ( 1.106 3.112 4.431) 5.526 18.491 ( 1.660 0.841 -8.563) 8.763 20.629 ( -2.963 -6.660 6.351) 9.668 ======================= Grid point 1617 (538/670) ======================= q-point: ( 0.79 0.42 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( 0.773 6.496 -8.457) 10.692 2.925 ( 0.219 -8.133 0.530) 8.153 6.159 ( -14.726 -0.934 -6.364) 16.070 6.909 ( 12.265 -0.552 17.021) 20.987 7.841 ( 0.700 25.413 -3.239) 25.628 9.919 ( 4.912 -12.046 3.912) 13.584 13.393 ( 1.403 -13.720 -0.412) 13.798 15.519 ( -6.800 4.855 -2.342) 8.677 15.827 ( -2.079 6.987 -3.396) 8.042 16.494 ( 0.259 0.563 5.681) 5.715 18.537 ( 3.152 5.693 -10.451) 12.311 20.538 ( -1.203 -8.540 7.943) 11.725 ======================= Grid point 1630 (539/670) ======================= q-point: ( 0.47 0.47 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.296 ( -0.000 -15.841 2.621) 16.056 3.026 ( -0.000 7.405 12.836) 14.819 4.711 ( 0.000 31.239 -13.188) 33.908 5.060 ( -0.000 23.145 26.525) 35.203 6.478 ( 0.000 29.931 -5.839) 30.495 8.505 ( 0.000 19.497 -13.592) 23.767 14.815 ( -0.000 -0.433 10.683) 10.692 15.385 ( -0.000 -10.680 7.029) 12.785 16.234 ( 0.000 0.814 -10.403) 10.435 16.657 ( 0.000 -16.329 -7.080) 17.798 18.976 ( 0.000 -14.616 -0.865) 14.641 20.980 ( -0.000 1.305 1.170) 1.753 ======================= Grid point 1631 (540/670) ======================= q-point: ( 0.53 0.47 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( -1.300 -14.928 1.461) 15.055 3.134 ( 1.788 2.647 10.539) 11.012 4.993 ( 0.384 33.168 -6.501) 33.801 5.433 ( 8.313 19.082 24.467) 32.122 6.732 ( 1.377 24.794 -16.258) 29.681 8.712 ( 2.139 25.354 -7.316) 26.475 14.790 ( -5.887 -3.542 8.561) 10.977 15.314 ( 4.979 -13.121 6.303) 15.384 16.210 ( -3.080 4.924 -7.444) 9.442 16.480 ( 1.321 -16.708 -6.108) 17.838 18.823 ( -0.777 -14.247 -0.242) 14.270 20.980 ( -1.586 0.967 0.327) 1.886 ======================= Grid point 1632 (541/670) ======================= q-point: ( 0.58 0.47 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( -1.294 -12.676 0.725) 12.762 3.189 ( 0.375 -1.184 7.516) 7.618 5.352 ( 4.679 30.421 3.612) 30.990 5.851 ( 12.226 16.776 16.746) 26.670 6.898 ( -0.227 18.515 -22.456) 29.106 9.028 ( 4.780 28.296 -2.249) 28.785 14.574 ( -11.526 -12.304 4.882) 17.552 15.367 ( 9.196 -6.170 7.378) 13.307 16.144 ( -3.628 -5.322 -3.037) 7.121 16.368 ( 1.346 -4.424 -7.247) 8.597 18.671 ( -1.136 -12.545 -0.073) 12.596 20.946 ( -3.068 0.015 -0.079) 3.069 ======================= Grid point 1633 (542/670) ======================= q-point: ( 0.63 0.47 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( -0.560 -9.322 0.168) 9.340 3.172 ( -1.766 -3.492 4.606) 6.044 5.748 ( 7.366 21.266 13.984) 26.497 6.301 ( 16.043 18.795 4.400) 25.099 6.957 ( -3.143 13.762 -21.164) 25.440 9.389 ( 5.739 25.052 0.079) 25.701 14.226 ( -12.788 -16.450 2.640) 21.002 15.519 ( 9.144 -0.893 7.372) 11.780 15.982 ( -2.523 -12.828 -2.445) 13.300 16.374 ( 0.279 4.910 -5.545) 7.412 18.543 ( -0.879 -9.392 -0.286) 9.437 20.875 ( -4.237 -1.558 -0.077) 4.514 ======================= Grid point 1634 (543/670) ======================= q-point: ( 0.68 0.47 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( 0.571 -4.809 -0.519) 4.871 3.095 ( -3.242 -5.045 2.334) 6.435 6.086 ( 8.090 9.871 17.138) 21.369 6.740 ( 9.183 14.166 -13.743) 21.769 7.012 ( 3.865 19.128 -4.945) 20.131 9.684 ( 3.994 15.578 0.770) 16.101 13.852 ( -11.619 -16.827 1.270) 20.488 15.683 ( 5.923 1.397 7.229) 9.449 15.819 ( -1.308 -9.526 -4.182) 10.486 16.421 ( 0.410 5.458 -2.887) 6.188 18.462 ( 0.141 -4.919 -0.840) 4.992 20.771 ( -4.850 -3.630 0.337) 6.067 ======================= Grid point 1635 (544/670) ======================= q-point: ( 0.74 0.47 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( 1.671 0.608 -1.561) 2.366 2.983 ( -3.512 -6.391 0.865) 7.344 6.318 ( 6.115 2.709 8.709) 10.981 6.754 ( -4.431 3.464 -7.861) 9.666 7.492 ( 16.706 28.104 -0.430) 32.698 9.817 ( 0.670 2.215 1.049) 2.541 13.520 ( -8.453 -15.000 0.314) 17.221 15.682 ( -2.259 -4.179 0.643) 4.794 15.832 ( 3.285 3.648 -0.309) 4.919 16.472 ( 0.745 3.519 -0.148) 3.600 18.451 ( 1.759 0.368 -1.852) 2.580 20.643 ( -4.620 -5.946 1.236) 7.630 ======================= Grid point 1636 (545/670) ======================= q-point: ( 0.79 0.47 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( 2.170 6.177 -3.145) 7.263 2.863 ( -2.324 -7.624 0.388) 7.980 6.344 ( -7.083 2.279 -6.079) 9.608 6.757 ( 5.995 -4.022 9.985) 12.322 8.021 ( 10.396 29.174 -1.688) 31.017 9.765 ( -0.959 -11.464 1.675) 11.625 13.283 ( -3.437 -11.654 -0.126) 12.150 15.628 ( -2.492 1.626 -0.797) 3.081 15.897 ( -0.053 4.225 -1.297) 4.420 16.509 ( 0.415 0.916 2.107) 2.334 18.516 ( 3.193 5.534 -3.703) 7.385 20.509 ( -3.271 -8.135 2.798) 9.204 ======================= Grid point 1650 (546/670) ======================= q-point: ( 0.53 0.53 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.001 ( -0.000 -14.794 2.366) 14.982 3.175 ( -0.000 1.576 9.075) 9.211 5.300 ( 0.000 33.985 -9.415) 35.265 5.613 ( -0.000 14.739 28.260) 31.872 6.896 ( 0.000 21.612 -21.588) 30.547 8.949 ( 0.000 29.890 -5.156) 30.331 14.879 ( -0.000 0.921 8.399) 8.449 15.103 ( -0.000 -19.033 4.627) 19.588 16.259 ( 0.000 -20.447 -3.129) 20.685 16.286 ( 0.000 8.105 -7.802) 11.250 18.691 ( -0.000 -13.897 1.937) 14.032 21.002 ( 0.000 0.867 -1.520) 1.750 ======================= Grid point 1651 (547/670) ======================= q-point: ( 0.58 0.53 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( -0.311 -12.925 3.230) 13.326 3.206 ( -0.315 -0.448 7.177) 7.198 5.611 ( 0.970 30.209 -1.238) 30.250 5.886 ( 7.183 12.489 19.792) 24.480 7.016 ( -0.624 17.976 -24.537) 30.424 9.260 ( 1.831 31.358 -3.279) 31.583 14.690 ( -13.687 -11.495 4.617) 18.460 15.140 ( 12.335 -6.157 6.806) 15.375 16.036 ( -0.708 -20.287 -1.505) 20.355 16.352 ( 0.664 7.475 -7.331) 10.491 18.565 ( -0.354 -12.253 3.534) 12.758 20.985 ( -1.820 0.233 -2.826) 3.370 ======================= Grid point 1652 (548/670) ======================= q-point: ( 0.63 0.53 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( 0.264 -9.785 3.982) 10.567 3.193 ( -2.006 -2.219 5.022) 5.846 5.902 ( 2.510 17.206 13.341) 21.917 6.240 ( 12.930 17.707 2.221) 22.038 7.079 ( -2.239 14.979 -22.828) 27.395 9.584 ( 1.887 27.638 -2.296) 27.797 14.320 ( -14.865 -14.590 2.999) 21.043 15.344 ( 12.353 -1.124 6.975) 14.231 15.834 ( 0.509 -18.764 -0.624) 18.781 16.409 ( 0.304 6.801 -6.739) 9.579 18.466 ( -0.164 -9.167 4.559) 10.239 20.925 ( -3.614 -0.985 -3.636) 5.220 ======================= Grid point 1653 (549/670) ======================= q-point: ( 0.68 0.53 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( 1.519 -5.522 4.393) 7.218 3.124 ( -3.955 -3.547 2.871) 6.039 6.113 ( 4.107 4.867 16.879) 18.040 6.662 ( 13.393 18.958 -11.186) 25.766 7.129 ( -0.168 15.353 -12.492) 19.794 9.825 ( -0.595 18.600 -1.929) 18.709 13.928 ( -14.514 -14.202 1.874) 20.393 15.568 ( 10.887 1.066 6.724) 12.841 15.688 ( 1.986 -14.100 -0.798) 14.261 16.454 ( 0.265 5.307 -5.737) 7.820 18.414 ( 0.605 -4.774 5.036) 6.965 20.820 ( -5.065 -2.718 -3.973) 6.987 ======================= Grid point 1654 (550/670) ======================= q-point: ( 0.74 0.53 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( 3.074 -0.421 4.197) 5.220 3.009 ( -5.309 -4.666 0.962) 7.133 6.253 ( 5.614 -2.224 12.777) 14.132 6.836 ( -2.579 8.813 -18.821) 20.941 7.455 ( 16.625 22.813 1.074) 28.249 9.898 ( -4.962 6.241 -1.796) 8.173 13.567 ( -12.416 -12.137 0.865) 17.384 15.620 ( 2.774 -7.674 0.883) 8.208 15.767 ( 7.962 2.189 3.503) 8.970 16.488 ( 0.503 3.248 -4.192) 5.327 18.428 ( 1.877 0.401 4.888) 5.251 20.676 ( -5.803 -4.779 -3.774) 8.412 ======================= Grid point 1670 (551/670) ======================= q-point: ( 0.58 0.58 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( -0.000 -11.542 5.454) 12.766 3.226 ( -0.000 -0.843 6.300) 6.356 5.898 ( 0.000 30.438 -6.503) 31.125 5.974 ( -0.000 5.252 22.982) 23.574 7.116 ( 0.000 16.668 -25.747) 30.671 9.552 ( 0.000 31.828 -3.691) 32.042 14.755 ( -0.000 -18.144 5.309) 18.905 14.955 ( -0.000 2.511 4.684) 5.314 15.817 ( 0.000 -22.881 0.649) 22.890 16.403 ( 0.000 7.866 -7.693) 11.003 18.468 ( -0.000 -10.800 6.475) 12.592 20.991 ( 0.000 0.005 -4.950) 4.950 ======================= Grid point 1671 (552/670) ======================= q-point: ( 0.63 0.58 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( 0.450 -8.804 7.267) 11.424 3.220 ( -1.419 -1.708 5.016) 5.486 6.053 ( -0.527 4.847 16.474) 17.180 6.244 ( 8.160 22.213 -3.473) 23.918 7.185 ( -1.198 15.205 -24.375) 28.754 9.842 ( -0.279 27.937 -3.797) 28.195 14.449 ( -14.058 -13.603 4.379) 20.046 15.135 ( 12.650 0.791 3.537) 13.159 15.612 ( 1.680 -21.618 2.916) 21.878 16.451 ( -0.013 6.548 -7.874) 10.241 18.399 ( 0.257 -7.997 8.666) 11.795 20.951 ( -2.159 -0.754 -6.497) 6.888 ======================= Grid point 1672 (553/670) ======================= q-point: ( 0.68 0.58 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( 1.640 -4.995 8.491) 9.987 3.170 ( -3.512 -2.563 3.374) 5.503 6.123 ( 1.963 -3.030 14.663) 15.101 6.611 ( 11.218 20.157 -8.549) 24.602 7.238 ( -0.996 14.307 -17.980) 22.999 10.042 ( -3.093 19.403 -3.792) 20.011 14.074 ( -16.015 -11.403 2.921) 19.875 15.378 ( 13.259 -0.086 -0.967) 13.295 15.487 ( 4.418 -15.170 8.216) 17.809 16.482 ( -0.096 4.706 -7.660) 8.991 18.379 ( 1.061 -3.938 10.095) 10.888 20.860 ( -4.303 -2.006 -7.538) 8.908 ======================= Grid point 1673 (554/670) ======================= q-point: (-0.26 -0.42 -0.79) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( 3.379 -0.558 8.927) 9.562 3.070 ( -5.632 -3.267 1.463) 6.674 6.154 ( 4.010 -8.853 10.557) 14.350 6.890 ( 3.289 14.176 -18.238) 23.333 7.405 ( 10.000 15.294 -2.855) 18.494 10.077 ( -7.706 8.281 -3.780) 11.926 13.706 ( -15.371 -8.965 1.528) 17.859 15.446 ( 7.480 -9.702 0.694) 12.270 15.639 ( 10.544 1.895 6.339) 12.448 16.495 ( 0.047 2.637 -6.977) 7.459 18.424 ( 2.196 0.844 10.763) 11.017 20.719 ( -6.007 -3.594 -8.078) 10.689 ======================= Grid point 1690 (555/670) ======================= q-point: ( 0.63 0.63 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( -0.000 -6.504 9.806) 11.767 3.231 ( -0.000 -1.815 4.613) 4.957 6.097 ( -0.000 -4.712 14.370) 15.123 6.392 ( 0.000 22.046 -4.647) 22.531 7.269 ( 0.000 15.068 -24.305) 28.597 10.097 ( 0.000 24.221 -4.502) 24.636 14.482 ( -0.000 -12.716 7.328) 14.677 15.018 ( 0.000 1.853 -4.287) 4.670 15.402 ( -0.000 -19.366 8.631) 21.202 16.486 ( 0.000 5.352 -8.671) 10.190 18.359 ( -0.000 -5.684 11.863) 13.155 20.939 ( 0.000 -1.005 -8.676) 8.734 ======================= Grid point 1691 (556/670) ======================= q-point: (-0.32 -0.37 -0.79) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( 1.077 -3.213 11.460) 11.951 3.207 ( -2.101 -2.197 3.733) 4.814 6.071 ( 1.037 -9.678 9.934) 13.907 6.624 ( 6.172 16.466 -5.090) 18.306 7.337 ( -0.868 14.662 -21.043) 25.662 10.264 ( -2.893 16.072 -4.726) 17.001 14.253 ( -14.122 -8.633 5.329) 17.388 15.102 ( 11.627 -8.050 -7.673) 16.089 15.337 ( 4.568 -5.425 14.045) 15.734 16.501 ( -0.224 3.640 -9.006) 9.717 18.367 ( 0.958 -2.237 14.079) 14.287 20.875 ( -2.534 -1.725 -10.280) 10.727 ======================= Grid point 1692 (557/670) ======================= q-point: (-0.26 -0.37 -0.79) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( 2.697 0.511 12.141) 12.447 3.136 ( -4.553 -2.572 2.301) 5.714 6.005 ( 2.585 -14.654 5.758) 15.955 6.876 ( 8.326 11.746 -9.255) 17.116 7.420 ( 1.738 13.071 -12.223) 17.980 10.271 ( -7.313 5.619 -4.742) 10.370 13.918 ( -16.888 -5.892 2.545) 18.067 15.185 ( 11.518 -9.729 -0.193) 15.078 15.510 ( 9.519 3.740 8.471) 13.280 16.495 ( -0.317 1.736 -8.835) 9.009 18.438 ( 2.262 1.866 15.341) 15.619 20.754 ( -4.991 -2.766 -11.399) 12.748 ======================= Grid point 1710 (558/670) ======================= q-point: (-0.32 -0.32 -0.79) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( -0.000 -0.504 13.253) 13.263 3.216 ( -0.000 -2.256 3.711) 4.343 5.964 ( -0.000 -14.805 5.189) 15.688 6.688 ( 0.000 9.956 -3.595) 10.585 7.428 ( 0.000 15.314 -20.573) 25.646 10.400 ( 0.000 8.109 -5.057) 9.557 14.360 ( -0.000 -4.466 9.288) 10.306 14.844 ( 0.000 -12.150 -9.508) 15.428 15.326 ( -0.000 3.100 12.642) 13.016 16.503 ( 0.000 2.165 -9.846) 10.082 18.396 ( -0.000 0.413 16.890) 16.895 20.844 ( 0.000 -1.916 -12.312) 12.460 ======================= Grid point 1711 (559/670) ======================= q-point: (-0.26 -0.32 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( 1.449 2.530 13.935) 14.237 3.182 ( -2.547 -2.470 3.077) 4.696 5.813 ( 1.246 -19.485 1.070) 19.554 6.800 ( 6.360 3.784 -4.089) 8.455 7.513 ( -0.871 14.998 -16.509) 22.321 10.378 ( -4.228 -2.216 -5.100) 6.985 14.176 ( -16.472 -2.559 4.482) 17.261 14.868 ( 14.109 -8.540 -1.652) 16.575 15.467 ( 5.064 8.173 9.434) 13.470 16.482 ( -0.288 0.510 -10.114) 10.131 18.484 ( 1.526 3.646 18.548) 18.964 20.758 ( -2.860 -2.435 -13.800) 14.302 ======================= Grid point 1730 (560/670) ======================= q-point: (-0.26 -0.26 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( -0.000 4.891 14.559) 15.359 3.189 ( -0.000 -2.687 3.403) 4.336 5.585 ( 0.000 -23.770 -2.845) 23.939 6.731 ( 0.000 -3.586 -3.135) 4.763 7.627 ( 0.000 16.044 -15.185) 22.090 10.325 ( 0.000 -12.636 -5.205) 13.666 14.423 ( -0.000 4.389 10.356) 11.248 14.568 ( 0.000 -9.618 -6.455) 11.584 15.560 ( -0.000 13.049 8.972) 15.836 16.450 ( 0.000 -0.889 -10.839) 10.875 18.578 ( -0.000 5.947 20.449) 21.296 20.713 ( 0.000 -2.483 -15.501) 15.699 ======================= Grid point 1911 (561/670) ======================= q-point: ( 0.26 0.26 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( -0.000 0.000 16.733) 16.733 0.858 ( -0.000 0.000 16.733) 16.733 3.508 ( -0.000 0.000 71.618) 71.618 3.790 ( 0.000 -0.000 -11.099) 11.099 3.790 ( 0.000 -0.000 -11.099) 11.099 8.706 ( 0.000 -0.000 -36.338) 36.338 14.765 ( -0.000 0.000 10.189) 10.189 14.765 ( -0.000 0.000 10.189) 10.189 17.254 ( 0.000 -0.000 -10.467) 10.467 17.254 ( 0.000 -0.000 -10.467) 10.467 19.723 ( -0.000 0.000 6.441) 6.441 21.092 ( 0.000 -0.000 -6.882) 6.882 ======================= Grid point 1912 (562/670) ======================= q-point: ( 0.32 0.26 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( 21.696 12.526 13.938) 28.669 1.285 ( 28.821 16.640 14.929) 36.475 3.730 ( -0.489 -0.282 -11.738) 11.752 3.773 ( 5.444 3.143 23.955) 24.766 3.841 ( 4.846 2.798 31.957) 32.444 8.585 ( -0.543 -0.313 -37.120) 37.126 14.810 ( 2.382 1.375 10.429) 10.785 14.811 ( 0.055 0.031 10.362) 10.362 17.139 ( -6.097 -3.520 -10.351) 12.518 17.344 ( 7.936 4.582 -15.647) 18.133 19.720 ( -1.899 -1.096 5.774) 6.176 21.022 ( -3.752 -2.166 -4.289) 6.096 ======================= Grid point 1913 (563/670) ======================= q-point: ( 0.37 0.26 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.856 ( 27.997 16.164 13.090) 34.878 1.977 ( 23.508 13.572 17.197) 32.133 3.693 ( 0.648 0.374 -13.087) 13.108 3.921 ( 11.329 6.541 -14.421) 19.470 4.237 ( 13.576 7.838 59.709) 61.733 8.456 ( -0.741 -0.428 -35.322) 35.333 14.832 ( -1.026 -0.592 10.543) 10.610 14.936 ( 5.672 3.275 10.703) 12.548 16.915 ( -10.529 -6.079 -9.958) 15.716 17.435 ( 3.829 2.211 -19.345) 19.844 19.671 ( -3.624 -2.092 3.064) 5.186 20.923 ( -4.003 -2.311 -0.075) 4.622 ======================= Grid point 1914 (564/670) ======================= q-point: ( 0.42 0.26 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.373 ( 6.576 3.797 15.312) 17.092 2.563 ( 29.188 16.852 15.378) 37.046 3.684 ( 2.924 1.688 -16.229) 16.576 4.243 ( 17.136 9.893 6.418) 20.801 4.834 ( 26.407 15.246 30.916) 43.423 8.339 ( -0.303 -0.175 -30.303) 30.305 14.832 ( -1.778 -1.026 10.609) 10.805 15.131 ( 8.211 4.741 10.986) 14.511 16.602 ( -14.041 -8.106 -9.456) 18.769 17.389 ( -2.588 -1.494 -18.592) 18.831 19.571 ( -5.368 -3.099 -1.293) 6.331 20.845 ( -3.337 -1.927 3.755) 5.381 ======================= Grid point 1915 (565/670) ======================= q-point: ( 0.47 0.26 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.429 ( -3.188 -1.841 6.928) 7.845 3.205 ( 17.974 10.377 19.492) 28.473 3.795 ( 15.572 8.990 -20.654) 27.384 4.694 ( 16.530 9.544 31.162) 36.543 5.600 ( 34.412 19.868 1.158) 39.752 8.273 ( 2.094 1.209 -20.900) 21.040 14.821 ( -1.964 -1.134 10.520) 10.761 15.372 ( 9.665 5.580 11.201) 15.812 16.223 ( -16.395 -9.466 -9.012) 20.967 17.208 ( -8.323 -4.805 -16.492) 19.088 19.418 ( -6.919 -3.995 -6.118) 10.063 20.791 ( -2.836 -1.637 7.157) 7.871 ======================= Grid point 1916 (566/670) ======================= q-point: ( 0.53 0.26 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( -6.397 -3.693 -0.531) 7.405 3.414 ( 0.980 0.566 5.826) 5.935 4.348 ( 32.134 18.552 -7.060) 37.771 5.182 ( 16.236 9.374 41.045) 45.123 6.312 ( 27.708 15.997 -19.232) 37.330 8.357 ( 10.516 6.071 -6.301) 13.680 14.812 ( -1.571 -0.907 10.365) 10.522 15.630 ( 9.068 5.235 10.259) 14.659 15.809 ( -16.600 -9.584 -7.751) 20.676 16.911 ( -13.223 -7.634 -14.699) 21.195 19.223 ( -7.742 -4.470 -10.518) 13.804 20.757 ( -2.538 -1.465 10.001) 10.422 ======================= Grid point 1917 (567/670) ======================= q-point: ( 0.58 0.26 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.155 ( -6.930 -4.001 -5.817) 9.892 3.409 ( -1.362 -0.787 -0.427) 1.630 5.083 ( 31.905 18.420 -0.702) 36.847 5.691 ( 16.868 9.739 41.650) 45.979 6.668 ( 9.815 5.667 -28.669) 30.828 8.758 ( 24.020 13.868 5.153) 28.210 14.816 ( -0.844 -0.487 10.315) 10.361 15.373 ( -16.932 -9.776 -9.457) 21.718 15.895 ( 8.946 5.165 11.829) 15.705 16.519 ( -16.962 -9.793 -13.713) 23.909 19.008 ( -7.403 -4.274 -14.163) 16.542 20.736 ( -2.351 -1.358 12.211) 12.510 ======================= Grid point 1918 (568/670) ======================= q-point: ( 0.63 0.26 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( -5.943 -3.431 -9.469) 11.695 3.365 ( -1.883 -1.087 -2.605) 3.393 5.769 ( 27.302 15.763 1.749) 31.574 6.203 ( 16.677 9.629 36.336) 41.124 6.646 ( -2.683 -1.549 -23.112) 23.318 9.398 ( 28.036 16.187 6.662) 33.052 14.835 ( -0.402 -0.232 10.626) 10.636 14.976 ( -14.771 -8.528 -9.967) 19.755 16.067 ( -18.220 -10.519 -13.647) 25.077 16.118 ( 7.201 4.158 11.794) 14.431 18.807 ( -5.721 -3.303 -17.007) 18.245 20.724 ( -2.246 -1.296 13.808) 14.049 ======================= Grid point 1919 (569/670) ======================= q-point: ( 0.68 0.26 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( -3.532 -2.039 -12.006) 12.680 3.310 ( -2.050 -1.183 -3.480) 4.209 6.317 ( 19.445 11.227 2.988) 22.651 6.365 ( -9.902 -5.717 -13.250) 17.501 6.756 ( 16.073 9.280 28.939) 34.379 9.999 ( 21.378 12.343 5.565) 25.305 14.652 ( -10.319 -5.958 -10.556) 15.919 14.847 ( -2.292 -1.323 11.369) 11.673 15.643 ( -13.552 -7.824 -14.313) 21.207 16.292 ( 4.706 2.717 11.649) 12.854 18.651 ( -2.765 -1.596 -19.051) 19.317 20.718 ( -2.206 -1.274 14.851) 15.068 ======================= Grid point 1920 (570/670) ======================= q-point: ( 0.74 0.26 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( 0.154 0.089 -13.686) 13.688 3.251 ( -2.126 -1.227 -3.690) 4.432 6.018 ( -16.535 -9.546 -6.672) 20.225 6.655 ( 8.788 5.074 3.462) 10.721 7.219 ( 16.162 9.331 24.133) 30.507 10.353 ( 7.069 4.082 4.922) 9.532 14.455 ( -3.721 -2.148 -10.818) 11.640 14.756 ( -8.714 -5.031 9.297) 13.700 15.442 ( 0.603 0.348 -12.161) 12.181 16.404 ( 1.902 1.098 11.358) 11.568 18.570 ( 1.101 0.636 -20.232) 20.271 20.715 ( -2.194 -1.267 15.404) 15.611 ======================= Grid point 1931 (571/670) ======================= q-point: ( 0.32 0.32 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( -0.000 18.656 14.954) 23.909 1.465 ( -0.000 37.508 14.960) 40.381 3.662 ( 0.000 -2.905 -11.935) 12.284 3.778 ( 0.000 3.882 -11.520) 12.156 4.039 ( -0.000 8.908 66.121) 66.718 8.470 ( 0.000 0.112 -38.789) 38.789 14.792 ( -0.000 -2.263 10.746) 10.982 14.893 ( -0.000 5.042 10.056) 11.249 17.154 ( 0.000 -4.658 -10.857) 11.814 17.249 ( 0.000 5.632 -14.358) 15.423 19.735 ( -0.000 -2.928 5.853) 6.544 21.012 ( 0.000 -3.091 -4.690) 5.617 ======================= Grid point 1932 (572/670) ======================= q-point: ( 0.37 0.32 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( 21.337 19.360 13.368) 31.761 2.001 ( 11.131 33.972 18.188) 40.109 3.619 ( 2.416 -1.155 -15.236) 15.470 3.811 ( 3.793 6.753 -14.001) 16.000 4.385 ( 4.673 12.139 62.211) 63.557 8.351 ( -0.224 0.755 -37.901) 37.909 14.820 ( 1.783 -2.904 10.922) 11.441 14.985 ( 0.675 6.905 9.948) 12.128 16.979 ( -7.745 -6.902 -10.363) 14.663 17.315 ( 5.244 2.235 -17.104) 18.029 19.697 ( -1.903 -4.639 4.082) 6.465 20.951 ( -2.224 -2.331 -1.821) 3.701 ======================= Grid point 1933 (573/670) ======================= q-point: ( 0.42 0.32 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( 23.012 13.579 13.270) 29.833 2.502 ( 8.452 20.234 20.579) 30.073 3.620 ( 2.083 2.489 -15.651) 15.984 4.039 ( 17.008 15.004 -13.779) 26.538 4.828 ( 10.381 16.414 50.302) 53.921 8.249 ( 0.082 1.725 -33.846) 33.890 14.848 ( 0.802 -3.200 10.603) 11.104 15.127 ( 3.784 8.014 10.283) 13.575 16.703 ( -11.174 -9.427 -9.544) 17.459 17.322 ( 1.356 -2.011 -17.634) 17.800 19.603 ( -3.707 -6.127 0.665) 7.192 20.890 ( -2.686 -1.218 1.696) 3.403 ======================= Grid point 1934 (574/670) ======================= q-point: ( 0.47 0.32 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.476 ( -0.524 -1.175 10.131) 10.212 3.021 ( 22.046 14.890 20.019) 33.294 3.661 ( 4.670 9.209 -19.128) 21.737 4.556 ( 22.234 17.787 6.938) 29.306 5.388 ( 18.990 21.929 24.350) 37.874 8.192 ( 1.645 3.528 -25.680) 25.973 14.850 ( -0.483 -3.157 10.024) 10.520 15.333 ( 6.787 8.086 10.702) 15.032 16.357 ( -13.905 -10.746 -8.821) 19.663 17.209 ( -3.923 -5.615 -16.156) 17.548 19.454 ( -5.380 -7.210 -3.505) 9.654 20.846 ( -2.604 -0.653 4.911) 5.597 ======================= Grid point 1935 (575/670) ======================= q-point: ( 0.53 0.32 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.389 ( -6.136 -5.240 2.573) 8.470 3.382 ( 5.200 -1.478 9.680) 11.087 4.033 ( 25.016 24.240 -9.152) 36.016 5.125 ( 18.201 14.684 28.723) 37.040 6.015 ( 22.658 22.013 -6.088) 32.172 8.249 ( 6.887 7.751 -12.447) 16.200 14.834 ( -0.802 -3.908 9.333) 10.149 15.577 ( 8.375 7.678 10.866) 15.721 15.969 ( -15.762 -10.206 -8.151) 20.470 16.979 ( -9.145 -8.350 -14.366) 18.967 19.258 ( -6.615 -7.639 -7.544) 12.610 20.816 ( -2.411 -0.655 7.606) 8.006 ======================= Grid point 1936 (576/670) ======================= q-point: ( 0.58 0.32 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( -7.127 -5.793 -3.231) 9.736 3.400 ( 0.069 -2.934 0.223) 2.944 4.752 ( 29.785 23.346 0.764) 37.852 5.655 ( 15.877 13.318 36.649) 42.102 6.466 ( 13.471 13.012 -25.069) 31.292 8.552 ( 17.790 14.940 1.371) 23.271 14.800 ( -0.200 -7.167 8.166) 10.866 15.578 ( -16.854 -5.480 -7.913) 19.408 15.832 ( 8.807 6.011 11.513) 15.692 16.646 ( -13.857 -10.019 -13.075) 21.525 19.037 ( -6.987 -7.187 -11.052) 14.921 20.796 ( -2.138 -1.045 9.764) 10.050 ======================= Grid point 1937 (577/670) ======================= q-point: ( 0.63 0.32 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.023 ( -6.696 -4.898 -7.448) 11.149 3.358 ( -0.794 -3.114 -2.402) 4.012 5.476 ( 27.720 20.062 4.308) 34.489 6.163 ( 14.856 12.934 34.876) 40.054 6.585 ( 1.703 3.866 -26.632) 26.965 9.121 ( 25.625 18.128 6.235) 32.002 14.714 ( -0.028 -15.372 4.434) 15.999 15.264 ( -15.430 4.167 -4.370) 16.570 16.058 ( 6.556 2.768 9.751) 12.071 16.243 ( -15.992 -8.201 -11.070) 21.108 18.818 ( -6.212 -5.725 -13.945) 16.304 20.782 ( -1.787 -1.687 11.426) 11.687 ======================= Grid point 1938 (578/670) ======================= q-point: ( 0.68 0.32 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( -5.136 -3.038 -10.517) 12.092 3.301 ( -0.945 -3.315 -3.297) 4.770 6.103 ( 22.066 15.734 5.587) 27.670 6.424 ( -5.905 -0.575 -13.780) 15.003 6.692 ( 13.780 11.470 24.080) 30.021 9.748 ( 24.396 14.229 5.888) 28.850 14.518 ( -1.327 -20.431 -1.972) 20.568 15.117 ( -11.282 11.146 2.409) 16.041 15.786 ( -16.580 -8.601 -13.030) 22.774 16.273 ( 5.276 3.949 10.815) 12.665 18.634 ( -4.234 -3.277 -16.208) 17.069 20.772 ( -1.395 -2.450 12.634) 12.945 ======================= Grid point 1939 (579/670) ======================= q-point: ( 0.74 0.32 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( -2.311 -0.408 -12.676) 12.891 3.241 ( -0.881 -3.436 -3.442) 4.942 6.167 ( -12.704 -5.978 -10.550) 17.562 6.573 ( 12.493 12.299 5.795) 18.464 7.128 ( 14.217 10.138 23.338) 29.147 10.218 ( 15.373 5.655 5.141) 17.167 14.302 ( 0.832 -18.283 -4.897) 18.946 15.038 ( -13.257 8.408 5.741) 16.715 15.467 ( -7.590 0.161 -13.784) 15.736 16.409 ( 3.133 1.900 10.655) 11.267 18.516 ( -1.221 -0.123 -17.779) 17.821 20.764 ( -1.011 -3.172 13.419) 13.825 ======================= Grid point 1951 (580/670) ======================= q-point: ( 0.37 0.37 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( -0.000 26.748 14.277) 30.320 2.323 ( -0.000 33.399 22.446) 40.241 3.539 ( 0.000 2.596 -19.924) 20.092 3.804 ( 0.000 6.498 -12.918) 14.461 4.673 ( -0.000 15.561 57.945) 59.998 8.248 ( 0.000 2.157 -37.996) 38.057 14.813 ( -0.000 -2.459 11.292) 11.556 15.081 ( -0.000 7.598 9.218) 11.946 16.939 ( 0.000 -9.887 -11.098) 14.863 17.232 ( 0.000 1.444 -15.518) 15.585 19.668 ( -0.000 -6.988 3.405) 7.773 20.945 ( 0.000 -1.527 -1.267) 1.984 ======================= Grid point 1952 (581/670) ======================= q-point: ( 0.42 0.37 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.110 ( 12.838 23.635 14.244) 30.435 2.678 ( 1.623 14.572 25.055) 29.030 3.583 ( 2.449 12.703 -19.321) 23.252 3.912 ( 9.590 14.020 -14.864) 22.572 5.043 ( 3.845 18.522 49.252) 52.760 8.165 ( 0.272 3.887 -34.978) 35.195 14.833 ( 0.910 -2.674 11.119) 11.472 15.199 ( 1.415 8.408 9.024) 12.415 16.730 ( -7.106 -11.445 -10.487) 17.072 17.211 ( 2.357 -2.671 -15.048) 15.464 19.580 ( -1.890 -8.866 1.349) 9.165 20.921 ( -1.380 -0.401 0.676) 1.588 ======================= Grid point 1953 (582/670) ======================= q-point: ( 0.47 0.37 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.493 ( 3.103 4.760 10.726) 12.138 2.915 ( 12.350 8.407 20.406) 25.291 3.683 ( 0.244 16.093 -16.491) 23.043 4.380 ( 22.124 25.373 -4.312) 33.939 5.476 ( 8.319 21.782 32.944) 40.361 8.129 ( 1.508 6.320 -27.962) 28.707 14.849 ( 0.207 -3.191 10.208) 10.697 15.357 ( 3.977 8.465 9.525) 13.349 16.427 ( -10.560 -12.077 -9.510) 18.650 17.138 ( -0.577 -6.511 -13.997) 15.448 19.438 ( -3.636 -10.071 -1.514) 10.814 20.896 ( -2.009 0.201 2.890) 3.525 ======================= Grid point 1954 (583/670) ======================= q-point: ( 0.53 0.37 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.440 ( -5.602 -6.837 3.771) 9.610 3.270 ( 10.410 -0.510 14.391) 17.769 3.939 ( 12.691 28.288 -11.142) 32.946 5.022 ( 21.582 21.902 13.662) 33.647 5.948 ( 12.320 23.154 7.504) 27.281 8.192 ( 5.121 10.529 -16.196) 19.985 14.834 ( -1.129 -4.668 8.798) 10.023 15.558 ( 6.509 7.134 10.500) 14.266 16.085 ( -12.483 -10.068 -8.838) 18.311 16.971 ( -5.002 -9.293 -12.518) 16.373 19.250 ( -5.082 -10.456 -4.575) 12.494 20.873 ( -2.243 0.084 4.922) 5.410 ======================= Grid point 1955 (584/670) ======================= q-point: ( 0.58 0.37 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( -6.648 -7.968 -1.288) 10.457 3.354 ( 1.754 -4.041 3.157) 5.420 4.551 ( 23.672 29.169 0.501) 37.570 5.613 ( 17.876 16.752 26.303) 35.945 6.346 ( 10.229 17.831 -16.649) 26.454 8.447 ( 12.752 16.863 -2.648) 21.307 14.763 ( -2.454 -9.021 6.760) 11.536 15.720 ( -3.943 -6.734 3.340) 8.488 15.824 ( -1.024 7.714 0.136) 7.783 16.708 ( -9.593 -10.707 -11.244) 18.251 19.035 ( -5.906 -9.848 -7.463) 13.695 20.851 ( -2.206 -0.623 6.698) 7.080 ======================= Grid point 1956 (585/670) ======================= q-point: ( 0.63 0.37 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( -6.476 -6.722 -5.142) 10.657 3.323 ( -0.284 -4.327 -0.842) 4.417 5.260 ( 25.115 25.289 5.829) 36.114 6.141 ( 15.725 14.481 29.078) 36.090 6.523 ( 2.833 9.319 -25.880) 27.652 8.931 ( 20.392 20.169 4.452) 29.025 14.601 ( -3.744 -16.139 3.426) 16.918 15.511 ( -10.601 2.149 -3.017) 11.230 16.010 ( 6.202 4.483 8.450) 11.401 16.375 ( -12.768 -9.015 -9.695) 18.392 18.816 ( -5.766 -8.080 -10.039) 14.117 20.827 ( -1.921 -1.769 8.235) 8.639 ======================= Grid point 1957 (586/670) ======================= q-point: ( 0.68 0.37 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( -5.569 -4.279 -8.184) 10.784 3.264 ( -0.624 -4.741 -2.251) 5.285 5.919 ( 22.112 19.777 8.188) 30.775 6.481 ( -4.088 4.448 -16.187) 17.277 6.640 ( 14.706 13.197 19.419) 27.705 9.510 ( 22.327 16.329 5.396) 28.182 14.353 ( -3.746 -20.435 -0.139) 20.776 15.398 ( -8.993 8.969 0.009) 12.702 15.929 ( -13.436 -8.968 -8.909) 18.448 16.265 ( 3.721 4.723 7.736) 9.798 18.625 ( -4.526 -5.116 -12.252) 14.027 20.801 ( -1.402 -3.173 9.541) 10.152 ======================= Grid point 1958 (587/670) ======================= q-point: ( 0.74 0.37 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( -3.744 -1.008 -10.536) 11.226 3.198 ( -0.370 -5.111 -2.597) 5.744 6.256 ( -5.173 -0.995 -13.303) 14.308 6.522 ( 11.478 15.635 10.370) 21.994 7.072 ( 12.944 12.367 17.119) 24.769 10.001 ( 18.148 7.270 4.899) 20.155 14.098 ( -1.214 -20.167 -2.251) 20.329 15.346 ( -10.261 8.893 3.968) 14.147 15.595 ( -11.876 -1.422 -12.803) 17.521 16.403 ( 3.746 2.800 9.186) 10.308 18.492 ( -2.325 -1.220 -14.044) 14.287 20.776 ( -0.693 -4.583 10.604) 11.573 ======================= Grid point 1971 (588/670) ======================= q-point: ( 0.42 0.42 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( -0.000 25.891 15.975) 30.423 2.797 ( -0.000 -3.965 19.246) 19.650 3.757 ( 0.000 34.297 -11.774) 36.262 3.890 ( 0.000 11.713 -15.480) 19.412 5.347 ( -0.000 20.387 41.651) 46.373 8.106 ( 0.000 6.424 -33.059) 33.678 14.837 ( -0.000 -2.140 11.165) 11.368 15.295 ( -0.000 8.133 8.268) 11.597 16.636 ( 0.000 -13.240 -11.345) 17.436 17.112 ( 0.000 -4.649 -12.281) 13.132 19.501 ( -0.000 -10.989 0.915) 11.027 20.935 ( -0.000 0.426 0.747) 0.860 ======================= Grid point 1972 (589/670) ======================= q-point: ( 0.47 0.42 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.577 ( -2.262 6.887 11.349) 13.467 2.831 ( 9.275 0.424 15.081) 17.710 3.882 ( -5.484 22.187 -13.397) 26.492 4.311 ( 16.876 32.471 -1.113) 36.612 5.696 ( 3.178 21.965 28.405) 36.047 8.098 ( 1.107 9.647 -27.237) 28.916 14.852 ( -0.015 -2.264 10.356) 10.601 15.413 ( 1.951 7.031 8.479) 11.187 16.414 ( -5.883 -12.884 -10.979) 17.921 17.025 ( 0.631 -7.976 -10.552) 13.242 19.370 ( -1.798 -12.285 -0.291) 12.419 20.935 ( -1.077 0.863 1.436) 1.992 ======================= Grid point 1973 (590/670) ======================= q-point: ( 0.53 0.42 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.467 ( -5.573 -9.715 3.212) 11.652 3.137 ( 10.902 2.990 15.520) 19.201 4.065 ( 3.231 30.032 -11.308) 32.252 4.948 ( 19.025 28.125 10.617) 35.577 6.055 ( 5.641 22.321 8.938) 24.697 8.184 ( 3.903 14.219 -17.105) 22.583 14.841 ( -1.630 -3.832 8.584) 9.541 15.552 ( 4.436 3.702 9.818) 11.392 16.142 ( -8.439 -8.652 -10.315) 15.889 16.894 ( -1.732 -10.795 -9.303) 14.355 19.198 ( -3.364 -12.653 -1.924) 13.233 20.924 ( -1.809 0.676 2.362) 3.051 ======================= Grid point 1974 (591/670) ======================= q-point: ( 0.58 0.42 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( -5.615 -10.511 -0.215) 11.919 3.286 ( 3.438 -3.134 7.230) 8.597 4.529 ( 14.891 33.572 -2.333) 36.801 5.556 ( 17.777 20.538 19.489) 33.431 6.358 ( 5.312 19.146 -11.527) 22.971 8.428 ( 9.223 19.892 -5.389) 22.579 14.754 ( -4.503 -8.723 5.993) 11.501 15.665 ( 3.847 -5.036 9.208) 11.178 15.948 ( -5.662 4.426 -7.112) 10.111 16.692 ( -5.257 -12.118 -8.335) 15.619 18.998 ( -4.477 -11.962 -3.727) 13.305 20.901 ( -2.217 -0.147 3.392) 4.054 ======================= Grid point 1975 (592/670) ======================= q-point: ( 0.63 0.42 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( -5.400 -8.803 -2.763) 10.691 3.283 ( -0.145 -4.483 1.821) 4.841 5.161 ( 20.021 30.152 4.456) 36.467 6.089 ( 16.375 15.375 21.931) 31.393 6.526 ( 1.473 13.343 -21.876) 25.667 8.850 ( 14.960 22.655 1.771) 27.207 14.545 ( -6.976 -15.680 2.980) 17.419 15.630 ( -2.813 -1.730 1.254) 3.533 16.003 ( 2.499 6.366 3.026) 7.478 16.434 ( -8.111 -10.087 -7.305) 14.863 18.792 ( -4.811 -10.041 -5.556) 12.443 20.866 ( -2.287 -1.532 4.497) 5.272 ======================= Grid point 1976 (593/670) ======================= q-point: ( 0.68 0.42 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( -4.863 -5.756 -5.037) 9.063 3.223 ( -1.117 -5.263 -0.597) 5.413 5.797 ( 19.569 23.193 8.068) 31.400 6.541 ( 2.534 9.176 -14.891) 17.674 6.581 ( 10.360 13.881 12.968) 21.637 9.354 ( 17.419 18.759 3.675) 25.862 14.247 ( -7.099 -19.712 0.502) 20.957 15.591 ( -4.435 5.875 0.050) 7.361 15.999 ( -6.779 -7.816 -3.084) 10.796 16.289 ( 0.301 3.463 2.022) 4.022 18.610 ( -4.122 -6.801 -7.348) 10.827 20.821 ( -1.980 -3.334 5.662) 6.863 ======================= Grid point 1977 (594/670) ======================= q-point: ( 0.74 0.42 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( -3.844 -1.751 -7.126) 8.284 3.145 ( -0.874 -6.019 -1.496) 6.264 6.236 ( 6.355 7.488 -6.763) 11.925 6.570 ( 2.859 12.072 5.786) 13.689 7.025 ( 13.986 16.082 9.631) 23.388 9.799 ( 15.830 9.182 3.732) 18.677 13.942 ( -4.622 -19.992 -1.044) 20.546 15.581 ( -6.148 7.785 2.443) 10.216 15.735 ( -10.766 -3.991 -9.192) 14.708 16.396 ( 3.563 3.725 6.561) 8.344 18.480 ( -2.490 -2.439 -9.080) 9.726 20.769 ( -1.244 -5.284 6.868) 8.754 ======================= Grid point 1991 (595/670) ======================= q-point: ( 0.47 0.47 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.622 ( -0.000 -15.747 4.306) 16.326 2.846 ( -0.000 16.531 17.371) 23.980 4.116 ( 0.000 22.618 -17.242) 28.440 4.525 ( -0.000 37.713 11.443) 39.411 5.961 ( -0.000 22.053 17.139) 27.930 8.123 ( 0.000 13.708 -22.866) 26.660 14.867 ( -0.000 -1.494 9.866) 9.979 15.476 ( -0.000 3.585 8.267) 9.011 16.305 ( 0.000 -11.273 -12.188) 16.602 16.901 ( 0.000 -10.379 -7.306) 12.692 19.256 ( 0.000 -13.642 0.242) 13.644 20.958 ( -0.000 1.185 0.585) 1.322 ======================= Grid point 1992 (596/670) ======================= q-point: ( 0.53 0.47 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.437 ( -3.556 -14.690 1.890) 15.232 3.086 ( 5.839 6.831 15.305) 17.748 4.312 ( -0.158 30.890 -13.393) 33.669 5.024 ( 10.676 30.872 16.997) 36.823 6.226 ( 2.010 21.423 1.360) 21.560 8.242 ( 2.376 18.716 -15.026) 24.119 14.868 ( -1.775 -2.150 8.264) 8.721 15.528 ( 2.434 -3.215 8.964) 9.829 16.146 ( -3.887 -4.390 -11.877) 13.245 16.766 ( -0.115 -13.018 -5.449) 14.113 19.105 ( -1.620 -14.022 0.234) 14.117 20.961 ( -1.039 1.015 0.221) 1.469 ======================= Grid point 1993 (597/670) ======================= q-point: ( 0.58 0.47 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( -3.903 -13.175 0.577) 13.754 3.234 ( 3.151 -0.591 9.808) 10.319 4.673 ( 7.351 35.404 -6.082) 36.667 5.558 ( 13.362 22.109 20.849) 33.197 6.448 ( 2.253 19.197 -14.185) 23.976 8.493 ( 6.273 23.799 -6.409) 25.432 14.783 ( -6.047 -7.129 5.432) 10.812 15.552 ( 4.702 -8.796 8.458) 13.077 16.052 ( -3.558 5.536 -8.421) 10.687 16.599 ( -1.734 -14.282 -4.729) 15.144 18.930 ( -2.898 -13.294 -0.179) 13.608 20.943 ( -1.909 0.259 0.254) 1.943 ======================= Grid point 1994 (598/670) ======================= q-point: ( 0.63 0.47 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( -3.764 -10.779 -0.304) 11.421 3.256 ( -0.290 -3.485 4.513) 5.710 5.198 ( 13.663 33.465 0.922) 36.158 6.040 ( 13.990 15.000 20.520) 29.014 6.588 ( 0.490 15.766 -22.011) 27.079 8.875 ( 10.219 25.743 -0.962) 27.714 14.548 ( -9.725 -14.480 2.637) 17.641 15.588 ( 4.738 -4.471 5.623) 8.606 16.060 ( -1.412 5.588 -2.657) 6.346 16.407 ( -3.253 -11.050 -4.685) 12.435 18.748 ( -3.581 -11.293 -0.897) 11.881 20.902 ( -2.500 -1.109 0.638) 2.808 ======================= Grid point 1995 (599/670) ======================= q-point: ( 0.68 0.47 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( -3.353 -7.282 -1.265) 8.116 3.200 ( -2.063 -4.806 1.234) 5.374 5.764 ( 15.089 25.954 5.650) 30.548 6.468 ( 13.901 11.661 10.835) 21.133 6.659 ( -0.515 14.101 -15.825) 21.202 9.310 ( 11.870 21.654 0.964) 24.713 14.210 ( -10.376 -18.376 0.831) 21.120 15.654 ( 2.415 2.221 2.420) 4.077 16.008 ( -4.365 -7.884 -1.009) 9.068 16.317 ( 0.281 2.585 -1.809) 3.168 18.586 ( -3.391 -7.921 -1.874) 8.817 20.840 ( -2.688 -3.018 1.348) 4.260 ======================= Grid point 1996 (600/670) ======================= q-point: ( 0.74 0.47 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( -2.711 -2.713 -2.546) 4.604 3.108 ( -2.324 -5.931 -0.464) 6.387 6.187 ( 8.519 12.191 -1.570) 14.955 6.654 ( 1.332 7.746 1.315) 7.969 6.976 ( 14.842 21.113 3.125) 25.996 9.680 ( 10.638 11.756 1.426) 15.919 13.859 ( -8.439 -18.776 -0.308) 20.588 15.718 ( -0.773 6.063 1.207) 6.231 15.811 ( -6.847 -7.381 -3.750) 10.743 16.395 ( 2.912 4.345 2.430) 5.768 18.472 ( -2.256 -3.332 -3.153) 5.112 20.761 ( -2.315 -5.247 2.385) 6.211 ======================= Grid point 2011 (601/670) ======================= q-point: ( 0.53 0.53 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.315 ( -0.000 -16.080 1.438) 16.144 3.150 ( -0.000 5.043 13.542) 14.451 4.586 ( 0.000 33.464 -13.532) 36.097 5.294 ( -0.000 27.579 23.639) 36.324 6.405 ( 0.000 20.469 -10.161) 22.853 8.390 ( 0.000 23.725 -10.692) 26.023 14.900 ( -0.000 -0.531 7.308) 7.328 15.453 ( -0.000 -12.343 7.649) 14.521 16.130 ( 0.000 2.717 -11.738) 12.049 16.612 ( 0.000 -15.689 -2.254) 15.850 18.980 ( -0.000 -14.422 1.849) 14.540 20.979 ( 0.000 0.980 -1.375) 1.688 ======================= Grid point 2012 (602/670) ======================= q-point: ( 0.58 0.53 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.149 ( -1.680 -14.557 1.761) 14.759 3.231 ( 1.131 0.749 10.075) 10.166 4.917 ( 3.150 35.794 -8.931) 37.025 5.671 ( 6.376 19.890 25.624) 33.058 6.561 ( 0.636 19.146 -20.714) 28.215 8.648 ( 3.189 28.032 -6.115) 28.868 14.853 ( -6.716 -4.171 4.845) 9.272 15.376 ( 5.549 -13.923 6.929) 16.512 16.133 ( -1.858 7.265 -9.088) 11.782 16.446 ( 0.313 -17.004 -1.007) 17.037 18.835 ( -1.335 -13.707 2.935) 14.081 20.970 ( -1.163 0.442 -2.411) 2.713 ======================= Grid point 2013 (603/670) ======================= q-point: ( 0.63 0.53 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.991 ( -2.022 -11.941 2.319) 12.331 3.254 ( -0.696 -2.142 6.127) 6.528 5.348 ( 8.139 34.559 -3.077) 35.638 6.042 ( 9.338 12.255 23.040) 27.717 6.675 ( 0.051 17.364 -25.377) 30.749 9.002 ( 5.998 29.145 -3.167) 29.924 14.608 ( -12.113 -12.751 2.420) 17.753 15.432 ( 9.210 -6.164 6.222) 12.710 16.118 ( -2.957 -1.734 -2.886) 4.481 16.313 ( 1.068 -7.112 -3.926) 8.193 18.688 ( -2.195 -11.695 3.522) 12.410 20.932 ( -2.265 -0.693 -2.914) 3.755 ======================= Grid point 2014 (604/670) ======================= q-point: ( 0.68 0.53 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( -1.688 -8.357 2.701) 8.943 3.207 ( -2.800 -3.743 2.823) 5.461 5.826 ( 10.152 27.405 2.366) 29.321 6.384 ( 11.962 8.794 13.605) 20.138 6.761 ( -0.228 16.350 -20.717) 26.392 9.380 ( 6.742 24.878 -1.904) 25.845 14.243 ( -13.235 -16.458 1.166) 21.152 15.574 ( 8.587 -0.474 3.939) 9.460 15.975 ( -3.078 -12.762 1.197) 13.183 16.324 ( 1.481 4.764 -4.946) 7.026 18.558 ( -2.377 -8.282 3.620) 9.346 20.861 ( -3.094 -2.431 -2.910) 4.894 ======================= Grid point 2031 (605/670) ======================= q-point: ( 0.58 0.58 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( -0.000 -13.891 3.338) 14.286 3.259 ( -0.000 -0.024 8.694) 8.694 5.215 ( 0.000 35.506 -8.635) 36.541 5.874 ( -0.000 14.144 27.742) 31.139 6.671 ( 0.000 18.927 -26.665) 32.699 8.899 ( 0.000 31.394 -5.307) 31.839 14.936 ( -0.000 0.707 3.525) 3.595 15.153 ( -0.000 -19.597 5.990) 20.492 16.205 ( 0.000 9.114 -9.520) 13.179 16.255 ( -0.000 -20.225 2.329) 20.358 18.726 ( -0.000 -13.066 5.474) 14.166 20.974 ( 0.000 0.237 -4.459) 4.465 ======================= Grid point 2032 (606/670) ======================= q-point: ( 0.63 0.58 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.906 ( -0.664 -11.724 4.975) 12.753 3.270 ( -0.815 -1.505 6.450) 6.673 5.571 ( 3.994 33.699 -5.592) 34.392 6.101 ( 4.130 7.401 24.696) 26.109 6.768 ( -0.056 18.142 -28.634) 33.898 9.223 ( 2.336 31.859 -4.575) 32.270 14.724 ( -14.224 -11.381 2.644) 18.408 15.194 ( 12.775 -6.607 4.664) 15.120 16.046 ( -1.144 -19.699 3.823) 20.099 16.276 ( 1.086 7.533 -8.634) 11.510 18.617 ( -0.887 -11.178 7.373) 13.420 20.945 ( -1.427 -0.505 -5.867) 6.059 ======================= Grid point 2033 (607/670) ======================= q-point: (-0.32 -0.42 -0.74) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( -0.448 -8.460 6.346) 10.585 3.235 ( -2.790 -2.757 3.929) 5.552 5.962 ( 6.047 26.883 -0.259) 27.556 6.320 ( 8.205 4.428 14.709) 17.415 6.858 ( 0.230 17.241 -24.318) 29.811 9.554 ( 2.518 27.577 -4.067) 27.989 14.343 ( -15.398 -14.290 1.870) 21.090 15.389 ( 12.570 -1.654 2.621) 12.946 15.858 ( -0.177 -18.310 5.584) 19.144 16.340 ( 1.028 6.781 -7.962) 10.509 18.527 ( -1.184 -7.903 8.600) 11.740 20.877 ( -2.860 -1.848 -6.668) 7.487 ======================= Grid point 2051 (608/670) ======================= q-point: (-0.37 -0.37 -0.74) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( -0.000 -10.130 7.392) 12.540 3.283 ( -0.000 -1.698 5.795) 6.039 5.841 ( 0.000 31.240 -5.623) 31.742 6.187 ( -0.000 1.730 22.747) 22.812 6.857 ( 0.000 17.957 -29.764) 34.762 9.510 ( 0.000 32.072 -5.156) 32.483 14.813 ( -0.000 -17.887 7.176) 19.273 14.967 ( 0.000 1.692 -1.998) 2.618 15.855 ( -0.000 -22.431 7.219) 23.564 16.322 ( 0.000 8.152 -9.629) 12.617 18.547 ( -0.000 -9.574 10.467) 14.185 20.930 ( 0.000 -0.752 -8.110) 8.144 ======================= Grid point 2052 (609/670) ======================= q-point: (-0.32 -0.37 -0.74) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( 0.127 -7.389 9.319) 11.894 3.265 ( -1.842 -2.267 4.448) 5.321 6.139 ( 2.297 23.154 -0.568) 23.275 6.279 ( 4.541 0.373 13.453) 14.204 6.943 ( 0.353 17.326 -27.224) 32.272 9.800 ( -0.033 28.006 -5.150) 28.476 14.489 ( -15.439 -12.851 4.002) 20.482 15.141 ( 13.979 -1.457 -1.811) 14.171 15.675 ( 1.258 -20.144 10.064) 22.553 16.369 ( 0.308 6.652 -9.690) 11.758 18.499 ( -0.244 -6.696 12.711) 14.369 20.876 ( -1.808 -1.556 -9.670) 9.960 ======================= Grid point 2071 (610/670) ======================= q-point: (-0.32 -0.32 -0.74) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( -0.000 -5.216 11.452) 12.584 3.273 ( -0.000 -2.253 4.305) 4.859 6.232 ( -0.000 -8.873 14.507) 17.006 6.351 ( 0.000 22.442 -4.066) 22.807 7.025 ( 0.000 17.493 -27.923) 32.950 10.051 ( 0.000 24.331 -5.362) 24.915 14.559 ( -0.000 -12.323 9.216) 15.388 14.947 ( 0.000 -1.548 -9.752) 9.874 15.511 ( -0.000 -16.442 13.661) 21.377 16.396 ( 0.000 5.425 -10.503) 11.821 18.488 ( -0.000 -4.438 15.791) 16.402 20.843 ( 0.000 -1.753 -11.886) 12.015 ======================= Grid point 2292 (611/670) ======================= q-point: ( 0.32 0.32 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( -0.000 0.000 14.876) 14.876 1.006 ( -0.000 0.000 14.876) 14.876 3.687 ( 0.000 -0.000 -10.964) 10.964 3.687 ( 0.000 -0.000 -10.964) 10.964 4.162 ( -0.000 0.000 68.572) 68.572 8.343 ( 0.000 -0.000 -41.425) 41.425 14.860 ( -0.000 0.000 10.183) 10.183 14.860 ( -0.000 0.000 10.183) 10.183 17.156 ( 0.000 -0.000 -10.436) 10.436 17.156 ( 0.000 -0.000 -10.436) 10.436 19.785 ( -0.000 0.000 6.728) 6.728 21.026 ( 0.000 -0.000 -7.107) 7.107 ======================= Grid point 2293 (612/670) ======================= q-point: ( 0.37 0.32 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( 20.991 12.119 11.832) 26.972 1.425 ( 29.102 16.802 14.767) 36.706 3.625 ( -0.808 -0.467 -10.664) 10.705 3.682 ( 1.882 1.086 -12.781) 12.964 4.439 ( 5.389 3.111 65.294) 65.589 8.217 ( 0.411 0.237 -41.476) 41.479 14.905 ( 0.091 0.052 9.656) 9.657 14.908 ( 2.485 1.435 10.355) 10.745 17.044 ( -5.955 -3.438 -9.691) 11.882 17.208 ( 5.502 3.177 -13.552) 14.967 19.775 ( -2.633 -1.520 5.736) 6.492 20.978 ( -2.087 -1.205 -4.974) 5.527 ======================= Grid point 2294 (613/670) ======================= q-point: ( 0.42 0.32 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.966 ( 28.463 16.433 10.352) 34.458 2.144 ( 24.647 14.230 18.652) 34.028 3.580 ( -0.216 -0.125 -10.862) 10.864 3.760 ( 11.500 6.640 -18.697) 22.933 4.799 ( 9.098 5.253 59.001) 59.929 8.111 ( 1.327 0.766 -38.338) 38.368 14.925 ( -0.914 -0.528 9.140) 9.200 15.036 ( 5.786 3.341 10.516) 12.459 16.827 ( -10.400 -6.004 -8.763) 14.866 17.268 ( 2.977 1.719 -16.379) 16.735 19.699 ( -5.099 -2.944 2.859) 6.545 20.917 ( -2.206 -1.274 -0.968) 2.725 ======================= Grid point 2295 (614/670) ======================= q-point: ( 0.47 0.32 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.522 ( 3.369 1.945 16.600) 17.050 2.692 ( 31.434 18.148 11.518) 38.080 3.546 ( 0.555 0.320 -12.567) 12.583 4.179 ( 28.995 16.740 -14.564) 36.511 5.220 ( 13.502 7.795 45.952) 48.525 8.050 ( 3.139 1.813 -31.192) 31.402 14.922 ( -1.628 -0.940 8.552) 8.756 15.232 ( 8.318 4.802 10.556) 14.272 16.520 ( -13.980 -8.071 -7.808) 17.931 17.226 ( -2.307 -1.332 -16.102) 16.321 19.560 ( -7.226 -4.172 -1.139) 8.422 20.875 ( -1.752 -1.011 2.828) 3.477 ======================= Grid point 2296 (615/670) ======================= q-point: ( 0.53 0.32 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.497 ( -6.716 -3.877 7.398) 10.718 3.386 ( 13.729 7.926 18.879) 24.652 3.602 ( 19.785 11.423 -20.015) 30.373 4.867 ( 29.633 17.109 5.679) 34.686 5.699 ( 18.944 10.937 19.780) 29.492 8.083 ( 7.305 4.218 -19.121) 20.899 14.908 ( -1.766 -1.020 7.910) 8.169 15.473 ( 9.669 5.582 10.133) 15.077 16.148 ( -16.373 -9.453 -6.735) 20.070 17.062 ( -7.822 -4.516 -14.474) 17.061 19.366 ( -8.794 -5.077 -5.182) 11.400 20.852 ( -1.473 -0.850 5.859) 6.100 ======================= Grid point 2297 (616/670) ======================= q-point: ( 0.58 0.32 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.320 ( -9.027 -5.212 0.224) 10.426 3.433 ( -1.302 -0.752 -2.130) 2.608 4.319 ( 34.426 19.876 1.087) 39.767 5.511 ( 22.034 12.721 27.121) 37.187 6.156 ( 18.227 10.523 -12.080) 24.267 8.308 ( 16.272 9.395 -4.020) 19.215 14.895 ( -1.280 -0.739 7.346) 7.494 15.670 ( -5.327 -3.076 -4.238) 7.470 15.797 ( -2.355 -1.359 7.767) 8.229 16.781 ( -12.914 -7.456 -12.916) 19.728 19.133 ( -9.472 -5.469 -8.711) 13.983 20.842 ( -1.367 -0.789 8.151) 8.303 ======================= Grid point 2298 (617/670) ======================= q-point: ( 0.63 0.32 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( -8.854 -5.112 -4.921) 11.346 3.387 ( -1.708 -0.986 -4.192) 4.633 5.095 ( 32.304 18.651 3.356) 37.452 6.059 ( 17.431 10.064 36.584) 41.755 6.405 ( 8.790 5.075 -27.248) 29.077 8.805 ( 26.017 15.021 4.918) 30.442 14.898 ( -0.386 -0.223 7.059) 7.073 15.289 ( -17.131 -9.890 -8.525) 21.540 16.005 ( 8.833 5.100 11.630) 15.469 16.397 ( -16.980 -9.803 -11.960) 22.967 18.888 ( -8.948 -5.166 -11.636) 15.561 20.839 ( -1.350 -0.780 9.856) 9.979 ======================= Grid point 2299 (618/670) ======================= q-point: ( 0.68 0.32 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( -7.343 -4.240 -8.694) 12.144 3.331 ( -1.894 -1.093 -4.528) 5.028 5.796 ( 27.406 15.823 3.989) 31.896 6.387 ( -0.547 -0.316 -15.874) 15.887 6.574 ( 15.912 9.187 26.517) 32.260 9.458 ( 27.874 16.093 6.084) 32.757 14.888 ( -15.149 -8.746 -8.789) 19.576 14.921 ( 0.382 0.221 7.463) 7.476 15.946 ( -18.683 -10.786 -11.889) 24.632 16.225 ( 7.179 4.145 11.051) 13.814 18.662 ( -7.059 -4.075 -13.999) 16.199 20.840 ( -1.404 -0.810 11.080) 11.198 ======================= Grid point 2312 (619/670) ======================= q-point: ( 0.37 0.37 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( -0.000 18.271 13.890) 22.951 1.594 ( -0.000 39.077 12.416) 41.002 3.550 ( 0.000 -4.968 -11.425) 12.458 3.672 ( 0.000 3.390 -11.134) 11.638 4.647 ( -0.000 6.820 63.434) 63.800 8.089 ( 0.000 1.216 -42.499) 42.517 14.891 ( -0.000 -1.932 10.194) 10.375 14.982 ( -0.000 4.882 8.985) 10.225 17.054 ( 0.000 -4.853 -10.270) 11.359 17.127 ( 0.000 3.552 -11.617) 12.148 19.789 ( -0.000 -3.739 5.591) 6.726 20.966 ( 0.000 -1.388 -5.005) 5.194 ======================= Grid point 2313 (620/670) ======================= q-point: ( 0.42 0.37 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( 20.491 19.911 12.251) 31.088 2.162 ( 12.410 37.880 16.112) 42.994 3.483 ( 2.945 -4.541 -13.645) 14.679 3.681 ( 1.523 5.980 -13.473) 14.818 4.949 ( 3.604 8.951 58.056) 58.853 7.984 ( 0.907 2.483 -40.322) 40.408 14.918 ( 1.480 -2.493 9.733) 10.156 15.072 ( 1.097 6.724 8.637) 11.000 16.887 ( -7.176 -7.242 -9.035) 13.623 17.171 ( 3.995 1.491 -13.545) 14.200 19.734 ( -2.663 -5.733 3.674) 7.312 20.931 ( -1.172 -0.786 -2.337) 2.730 ======================= Grid point 2314 (621/670) ======================= q-point: ( 0.47 0.37 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( 23.524 14.383 11.859) 30.015 2.689 ( 5.686 21.487 19.356) 29.473 3.484 ( 3.304 -0.087 -12.933) 13.349 3.883 ( 18.726 18.430 -18.365) 32.056 5.298 ( 6.371 10.468 48.616) 50.137 7.928 ( 2.571 4.192 -34.113) 34.465 14.938 ( 0.378 -2.701 8.413) 8.844 15.219 ( 4.389 7.787 9.027) 12.704 16.622 ( -10.754 -9.773 -7.660) 16.427 17.173 ( 0.850 -1.675 -14.040) 14.165 19.609 ( -5.068 -7.232 0.558) 8.848 20.902 ( -1.352 -0.169 0.947) 1.659 ======================= Grid point 2315 (622/670) ======================= q-point: ( 0.53 0.37 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.570 ( -2.853 -4.345 9.710) 11.014 3.198 ( 23.958 19.863 16.709) 35.323 3.490 ( 1.541 5.248 -16.302) 17.195 4.538 ( 31.134 26.279 -7.986) 41.517 5.669 ( 8.988 11.805 32.166) 35.423 7.960 ( 5.775 6.892 -23.093) 24.782 14.931 ( -0.695 -2.764 7.044) 7.599 15.427 ( 7.143 8.045 9.110) 14.097 16.285 ( -13.587 -11.167 -6.355) 18.700 17.072 ( -3.990 -4.961 -12.892) 14.379 19.424 ( -7.031 -8.117 -2.848) 11.110 20.886 ( -1.261 -0.037 3.734) 3.941 ======================= Grid point 2316 (623/670) ======================= q-point: ( 0.58 0.37 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.414 ( -8.380 -7.421 2.651) 11.504 3.422 ( -0.028 -2.263 -1.968) 2.999 3.996 ( 29.674 26.236 1.923) 39.656 5.297 ( 27.890 21.645 7.212) 36.033 6.020 ( 10.175 11.822 7.550) 17.329 8.149 ( 12.183 11.559 -8.525) 18.834 14.906 ( -0.801 -3.764 5.818) 6.976 15.664 ( 7.063 7.852 6.377) 12.337 15.911 ( -14.126 -10.596 -2.868) 17.890 16.858 ( -9.201 -7.775 -11.370) 16.564 19.195 ( -8.334 -8.320 -5.960) 13.198 20.879 ( -1.126 -0.316 5.870) 5.986 ======================= Grid point 2317 (624/670) ======================= q-point: ( 0.63 0.37 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.188 ( -9.024 -7.180 -2.483) 11.796 3.379 ( -0.962 -2.050 -4.620) 5.145 4.778 ( 30.373 23.936 4.716) 38.958 5.945 ( 21.436 15.421 20.223) 33.261 6.265 ( 6.904 8.513 -13.126) 17.101 8.569 ( 21.023 16.899 2.452) 27.084 14.859 ( -0.201 -7.899 4.298) 8.995 15.507 ( -16.553 -3.911 -7.232) 18.482 15.939 ( 8.735 5.062 11.314) 15.163 16.536 ( -14.079 -9.581 -10.106) 19.803 18.945 ( -8.672 -7.699 -8.623) 14.451 20.877 ( -0.934 -0.854 7.503) 7.609 ======================= Grid point 2318 (625/670) ======================= q-point: ( 0.68 0.37 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( -8.301 -5.785 -6.352) 11.947 3.323 ( -1.123 -2.388 -4.820) 5.496 5.519 ( 27.557 21.164 5.176) 35.130 6.336 ( 1.852 4.645 -24.824) 25.323 6.484 ( 16.386 10.864 31.483) 37.117 9.176 ( 26.149 18.201 5.482) 32.328 14.736 ( -1.431 -17.335 0.379) 17.398 15.230 ( -13.800 6.623 -3.289) 15.656 16.095 ( -9.908 -8.606 -4.359) 13.829 16.202 ( 0.056 2.866 5.218) 5.953 18.702 ( -7.807 -6.115 -10.867) 14.712 20.876 ( -0.693 -1.563 8.751) 8.917 ======================= Grid point 2332 (626/670) ======================= q-point: ( 0.42 0.42 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( -0.000 27.330 13.880) 30.653 2.519 ( -0.000 40.783 18.985) 44.986 3.360 ( 0.000 -3.350 -17.643) 17.958 3.684 ( 0.000 5.382 -12.518) 13.626 5.194 ( -0.000 11.107 52.798) 53.954 7.885 ( 0.000 4.478 -39.112) 39.367 14.913 ( -0.000 -2.099 9.910) 10.130 15.158 ( -0.000 7.554 7.189) 10.428 16.840 ( 0.000 -10.216 -9.851) 14.192 17.107 ( 0.000 0.969 -11.018) 11.060 19.698 ( -0.000 -8.156 3.042) 8.705 20.930 ( 0.000 -0.031 -1.785) 1.785 ======================= Grid point 2333 (627/670) ======================= q-point: ( 0.47 0.42 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( 12.055 24.579 13.789) 30.653 2.905 ( -0.272 11.914 23.445) 26.300 3.400 ( 5.304 16.541 -19.413) 26.050 3.770 ( 8.920 14.481 -14.988) 22.669 5.483 ( 2.470 12.120 43.620) 45.340 7.840 ( 1.637 6.890 -33.812) 34.546 14.928 ( 0.543 -2.343 8.962) 9.279 15.274 ( 1.872 8.495 6.828) 11.059 16.639 ( -6.408 -12.017 -8.690) 16.155 17.091 ( 1.556 -2.228 -10.389) 10.739 19.593 ( -2.575 -9.860 1.348) 10.280 20.923 ( -0.687 0.578 -0.132) 0.907 ======================= Grid point 2334 (628/670) ======================= q-point: ( 0.53 0.42 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.587 ( 0.822 1.558 8.968) 9.139 3.092 ( 13.779 8.207 17.319) 23.604 3.532 ( -1.364 16.482 -15.508) 22.672 4.319 ( 25.349 33.428 -7.238) 42.572 5.779 ( 4.246 12.411 29.605) 32.381 7.882 ( 4.453 10.062 -23.814) 26.233 14.931 ( -0.312 -2.877 7.070) 7.639 15.437 ( 4.615 8.789 7.329) 12.339 16.347 ( -9.919 -12.909 -7.196) 17.799 17.027 ( -1.202 -5.656 -9.500) 11.121 19.427 ( -4.823 -10.736 -0.825) 11.798 20.917 ( -0.977 0.628 1.641) 2.011 ======================= Grid point 2335 (629/670) ======================= q-point: ( 0.58 0.42 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.472 ( -6.913 -9.157 2.829) 11.817 3.369 ( 4.113 -3.089 5.672) 7.657 3.862 ( 18.446 32.083 -4.147) 37.239 5.088 ( 26.379 29.942 1.630) 39.938 6.046 ( 5.040 11.738 11.509) 17.195 8.063 ( 9.318 14.489 -10.668) 20.262 14.899 ( -1.522 -4.553 5.001) 6.932 15.646 ( 6.868 8.366 7.727) 13.299 16.014 ( -11.858 -11.583 -5.860) 17.582 16.873 ( -5.515 -8.482 -8.251) 13.055 19.215 ( -6.573 -10.794 -3.030) 12.996 20.911 ( -1.046 0.128 3.179) 3.349 ======================= Grid point 2336 (630/670) ======================= q-point: ( 0.63 0.42 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.249 ( -8.041 -9.299 -0.813) 12.320 3.357 ( -0.650 -2.723 -2.337) 3.647 4.570 ( 25.765 29.480 3.572) 39.315 5.784 ( 22.412 22.077 7.014) 32.232 6.244 ( 4.097 9.430 -2.233) 10.521 8.433 ( 16.126 19.152 -0.130) 25.037 14.808 ( -2.870 -9.468 2.880) 10.304 15.697 ( -12.349 -4.802 -6.052) 14.567 15.878 ( 8.183 6.071 9.118) 13.674 16.621 ( -10.102 -10.060 -7.038) 15.899 18.976 ( -7.562 -9.944 -5.070) 13.482 20.903 ( -0.928 -0.786 4.494) 4.656 ======================= Grid point 2337 (631/670) ======================= q-point: ( 0.68 0.42 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( -7.998 -7.449 -3.779) 11.564 3.301 ( -1.205 -3.117 -3.844) 5.093 5.309 ( 25.843 26.151 4.899) 37.091 6.262 ( 7.966 12.990 -21.729) 26.540 6.432 ( 11.358 8.824 24.676) 28.561 8.970 ( 21.624 20.372 3.815) 29.953 14.618 ( -4.543 -16.877 0.336) 17.481 15.480 ( -10.308 3.994 -4.101) 11.791 16.079 ( 4.782 1.275 5.949) 7.739 16.310 ( -11.149 -6.571 -3.640) 13.443 18.736 ( -7.498 -8.026 -6.920) 12.982 20.892 ( -0.631 -2.010 5.650) 6.030 ======================= Grid point 2352 (632/670) ======================= q-point: ( 0.47 0.47 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.459 ( -0.000 27.172 16.491) 31.785 2.932 ( -0.000 -12.825 8.377) 15.319 3.676 ( 0.000 46.714 -3.616) 46.854 3.743 ( 0.000 10.137 -15.777) 18.753 5.708 ( -0.000 12.625 33.949) 36.221 7.808 ( 0.000 10.004 -29.448) 31.101 14.931 ( -0.000 -1.954 8.650) 8.868 15.361 ( -0.000 8.575 5.555) 10.217 16.537 ( 0.000 -13.923 -9.438) 16.821 17.021 ( 0.000 -4.065 -7.005) 8.099 19.512 ( -0.000 -11.707 1.312) 11.781 20.936 ( 0.000 1.050 -0.353) 1.108 ======================= Grid point 2353 (633/670) ======================= q-point: ( 0.53 0.47 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.665 ( -5.446 -0.964 6.711) 8.696 2.964 ( 12.672 5.775 13.905) 19.680 3.748 ( -5.129 20.451 -15.291) 26.045 4.313 ( 16.198 41.489 2.195) 44.593 5.932 ( 1.602 12.339 20.264) 23.779 7.867 ( 2.654 13.676 -20.834) 25.063 14.934 ( -0.432 -2.163 7.047) 7.384 15.481 ( 2.451 7.958 5.823) 10.160 16.320 ( -5.238 -14.034 -8.862) 17.405 16.950 ( -0.080 -7.150 -5.164) 8.820 19.373 ( -2.397 -12.634 0.712) 12.879 20.941 ( -0.547 1.032 -0.067) 1.171 ======================= Grid point 2354 (634/670) ======================= q-point: ( 0.58 0.47 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.489 ( -6.001 -11.374 1.268) 12.922 3.270 ( 7.991 0.673 12.766) 15.076 3.959 ( 6.439 32.985 -10.946) 35.345 5.026 ( 19.551 35.525 6.447) 41.059 6.126 ( 2.458 11.499 4.966) 12.764 8.053 ( 6.690 17.957 -10.162) 21.691 14.904 ( -2.213 -3.881 4.571) 6.392 15.637 ( 5.236 5.353 7.884) 10.873 16.051 ( -7.859 -10.363 -8.779) 15.692 16.830 ( -2.573 -10.009 -4.004) 11.083 19.188 ( -4.438 -12.637 -0.195) 13.395 20.937 ( -0.910 0.474 0.457) 1.123 ======================= Grid point 2355 (635/670) ======================= q-point: ( 0.63 0.47 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.270 ( -6.329 -11.195 -0.038) 12.860 3.333 ( 0.239 -2.925 2.551) 3.888 4.512 ( 18.161 34.461 -1.052) 38.968 5.692 ( 18.655 26.615 8.424) 33.576 6.274 ( 2.611 10.025 -5.416) 11.690 8.393 ( 11.896 21.904 -2.002) 25.006 14.792 ( -5.047 -9.064 2.080) 10.581 15.743 ( -0.356 -9.099 6.405) 11.133 15.885 ( -0.319 8.817 -5.494) 10.394 16.637 ( -6.064 -11.561 -3.083) 13.414 18.975 ( -5.905 -11.653 -1.246) 13.123 20.922 ( -1.058 -0.585 1.135) 1.658 ======================= Grid point 2356 (636/670) ======================= q-point: ( 0.68 0.47 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( -6.571 -9.008 -1.237) 11.218 3.285 ( -1.746 -3.449 -1.499) 4.146 5.191 ( 21.746 30.769 2.040) 37.733 6.204 ( 11.342 18.710 -7.612) 23.166 6.414 ( 6.475 7.902 8.358) 13.200 8.865 ( 16.458 22.787 1.359) 28.141 14.560 ( -7.512 -15.998 0.128) 17.674 15.626 ( -4.976 0.277 -2.333) 5.503 16.033 ( 4.841 4.254 3.196) 7.194 16.392 ( -8.141 -9.260 -1.516) 12.423 18.755 ( -6.496 -9.535 -2.380) 11.781 20.896 ( -0.956 -2.085 1.958) 3.016 ======================= Grid point 2372 (637/670) ======================= q-point: ( 0.53 0.53 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.639 ( 0.000 -16.246 -0.510) 16.254 3.016 ( -0.000 15.410 19.094) 24.536 3.949 ( 0.000 23.553 -18.651) 30.043 4.631 ( -0.000 43.769 11.556) 45.269 6.083 ( -0.000 11.873 7.421) 14.001 7.942 ( 0.000 17.623 -14.713) 22.957 14.942 ( -0.000 -1.526 6.101) 6.289 15.544 ( -0.000 5.085 5.878) 7.772 16.198 ( 0.000 -12.773 -10.395) 16.469 16.858 ( 0.000 -9.643 -1.612) 9.777 19.266 ( -0.000 -13.631 1.738) 13.741 20.955 ( 0.000 1.052 -1.257) 1.639 ======================= Grid point 2373 (638/670) ======================= q-point: ( 0.58 0.53 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.445 ( -3.464 -14.665 -0.175) 15.070 3.227 ( 4.429 4.169 14.809) 16.010 4.182 ( 2.153 33.524 -13.940) 36.370 5.170 ( 9.510 37.083 14.195) 40.830 6.210 ( 0.983 11.418 -5.398) 12.668 8.132 ( 3.642 21.690 -7.882) 23.364 14.926 ( -2.256 -2.323 3.920) 5.085 15.609 ( 3.019 -2.463 8.291) 9.160 16.034 ( -3.338 -4.953 -11.765) 13.194 16.742 ( -0.839 -12.407 0.327) 12.439 19.117 ( -2.170 -13.656 2.313) 14.019 20.953 ( -0.572 0.605 -1.943) 2.114 ======================= Grid point 2374 (639/670) ======================= q-point: ( 0.63 0.53 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.243 ( -4.181 -12.799 0.632) 13.480 3.313 ( 0.748 -1.781 6.839) 7.107 4.615 ( 10.312 36.992 -5.937) 38.859 5.732 ( 12.320 27.591 14.976) 33.724 6.313 ( 1.631 10.972 -13.631) 17.574 8.447 ( 7.913 25.077 -3.213) 26.492 14.815 ( -6.600 -7.430 1.370) 10.031 15.630 ( 4.180 -10.665 7.989) 13.966 15.967 ( -1.718 7.961 -9.543) 12.546 16.582 ( -2.724 -14.038 1.170) 14.347 18.941 ( -3.925 -12.622 2.514) 13.455 20.934 ( -1.052 -0.363 -2.165) 2.434 ======================= Grid point 2392 (640/670) ======================= q-point: ( 0.58 0.58 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.323 ( 0.000 -15.072 0.369) 15.076 3.273 ( -0.000 2.238 12.679) 12.875 4.464 ( 0.000 36.151 -12.290) 38.183 5.497 ( -0.000 32.837 19.381) 38.130 6.284 ( 0.000 11.810 -15.588) 19.556 8.313 ( 0.000 25.443 -5.512) 26.033 14.946 ( -0.000 -0.749 2.417) 2.531 15.527 ( -0.000 -13.493 8.139) 15.757 16.017 ( 0.000 4.131 -12.503) 13.168 16.618 ( -0.000 -15.217 3.527) 15.620 19.009 ( -0.000 -13.729 4.364) 14.406 20.955 ( 0.000 0.392 -3.802) 3.822 ======================= Grid point 2393 (641/670) ======================= q-point: (-0.37 -0.42 -0.68) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.167 ( -1.803 -13.316 2.040) 13.592 3.318 ( 0.046 -0.922 8.178) 8.230 4.837 ( 4.700 37.477 -7.793) 38.566 5.898 ( 5.348 23.958 21.612) 32.706 6.351 ( 0.832 12.698 -22.765) 26.080 8.600 ( 3.865 28.500 -4.208) 29.067 14.878 ( -7.036 -4.356 0.316) 8.282 15.441 ( 5.589 -15.000 7.016) 17.477 16.041 ( -0.814 9.017 -10.518) 13.878 16.464 ( -0.601 -17.095 5.031) 17.830 18.877 ( -1.861 -12.732 5.905) 14.158 20.936 ( -0.720 -0.293 -5.037) 5.097 ======================= Grid point 2412 (642/670) ======================= q-point: (-0.37 -0.37 -0.68) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.063 ( -0.000 -12.281 4.137) 12.959 3.333 ( -0.000 -1.336 7.080) 7.204 5.143 ( 0.000 36.738 -6.615) 37.329 6.129 ( -0.000 15.340 26.295) 30.443 6.400 ( 0.000 15.677 -30.791) 34.553 8.851 ( 0.000 31.380 -5.066) 31.786 14.942 ( 0.000 0.200 -2.173) 2.182 15.215 ( -0.000 -19.827 7.312) 21.132 16.110 ( 0.000 9.809 -10.817) 14.602 16.303 ( -0.000 -19.896 7.920) 21.414 18.793 ( -0.000 -11.860 8.725) 14.724 20.919 ( 0.000 -0.573 -7.255) 7.278 ======================= Grid point 2674 (643/670) ======================= q-point: ( 0.37 0.37 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( -0.000 0.000 12.001) 12.001 1.133 ( -0.000 0.000 12.001) 12.001 3.590 ( 0.000 -0.000 -9.479) 9.479 3.590 ( 0.000 -0.000 -9.479) 9.479 4.781 ( -0.000 0.000 63.641) 63.641 7.940 ( 0.000 -0.000 -44.434) 44.434 14.950 ( -0.000 0.000 8.908) 8.908 14.950 ( -0.000 0.000 8.908) 8.908 17.064 ( 0.000 -0.000 -9.110) 9.110 17.064 ( 0.000 -0.000 -9.110) 9.110 19.846 ( -0.000 0.000 6.162) 6.162 20.962 ( 0.000 -0.000 -6.450) 6.450 ======================= Grid point 2675 (644/670) ======================= q-point: ( 0.42 0.37 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( 20.260 11.697 8.278) 24.816 1.556 ( 30.221 17.448 13.139) 37.288 3.536 ( -0.857 -0.495 -7.972) 8.034 3.567 ( -0.144 -0.083 -11.661) 11.662 5.023 ( 4.065 2.347 59.455) 59.640 7.820 ( 1.541 0.890 -43.073) 43.110 14.987 ( 0.005 0.003 7.620) 7.620 14.999 ( 2.718 1.569 8.895) 9.432 16.962 ( -5.748 -3.318 -7.718) 10.179 17.094 ( 3.791 2.189 -10.736) 11.594 19.825 ( -3.372 -1.947 4.847) 6.217 20.933 ( -0.775 -0.448 -4.468) 4.557 ======================= Grid point 2676 (645/670) ======================= q-point: ( 0.47 0.37 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.042 ( 28.591 16.507 5.448) 33.460 2.323 ( 26.926 15.546 19.350) 36.621 3.498 ( -0.605 -0.350 -6.327) 6.366 3.580 ( 8.730 5.040 -19.688) 22.118 5.320 ( 6.466 3.733 51.624) 52.161 7.753 ( 3.783 2.184 -37.508) 37.761 14.998 ( -0.906 -0.523 6.345) 6.430 15.128 ( 6.007 3.468 8.783) 11.192 16.756 ( -10.242 -5.913 -6.215) 13.360 17.133 ( 2.080 1.201 -12.304) 12.536 19.723 ( -6.396 -3.692 2.049) 7.664 20.908 ( -0.641 -0.370 -0.958) 1.211 ======================= Grid point 2677 (646/670) ======================= q-point: ( 0.53 0.37 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.680 ( -0.705 -0.407 16.938) 16.958 2.760 ( 32.591 18.817 2.098) 37.691 3.468 ( -0.640 -0.370 -3.205) 3.289 4.019 ( 34.290 19.798 -18.643) 43.765 5.629 ( 7.908 4.566 39.423) 40.467 7.773 ( 7.113 4.106 -27.007) 28.228 14.987 ( -1.540 -0.889 5.072) 5.374 15.322 ( 8.445 4.875 8.275) 12.789 16.461 ( -13.876 -8.011 -4.606) 16.672 17.094 ( -2.397 -1.384 -11.852) 12.171 19.549 ( -8.726 -5.038 -1.203) 10.147 20.898 ( -0.398 -0.230 2.178) 2.226 ======================= Grid point 2678 (647/670) ======================= q-point: ( 0.58 0.37 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.563 ( -9.989 -5.767 6.630) 13.304 3.390 ( 7.468 4.312 -19.645) 21.454 3.589 ( 26.071 15.052 18.662) 35.419 4.841 ( 38.004 21.941 -8.596) 44.717 5.915 ( 8.366 4.830 22.927) 24.879 7.931 ( 12.542 7.241 -12.596) 19.193 14.964 ( -1.576 -0.910 3.879) 4.285 15.552 ( 9.079 5.242 6.018) 12.088 16.105 ( -15.761 -9.100 -1.777) 18.286 16.944 ( -7.711 -4.452 -10.418) 13.705 19.322 ( -10.272 -5.931 -4.169) 12.573 20.900 ( -0.351 -0.203 4.453) 4.472 ======================= Grid point 2679 (648/670) ======================= q-point: ( 0.63 0.37 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.323 ( -11.330 -6.541 0.250) 13.085 3.378 ( -0.475 -0.274 -9.128) 9.144 4.365 ( 33.645 19.425 8.381) 39.743 5.624 ( 30.988 17.891 -4.186) 36.026 6.145 ( 7.253 4.187 10.518) 13.445 8.288 ( 20.477 11.822 0.030) 23.645 14.944 ( -0.945 -0.546 2.882) 3.081 15.604 ( -11.628 -6.713 -8.232) 15.749 15.899 ( 3.747 2.163 12.402) 13.135 16.677 ( -12.926 -7.463 -9.011) 17.435 19.061 ( -10.872 -6.277 -6.654) 14.209 20.908 ( -0.401 -0.232 6.071) 6.089 ======================= Grid point 2694 (649/670) ======================= q-point: ( 0.42 0.42 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( -0.000 18.671 11.435) 21.895 1.691 ( -0.000 40.229 8.128) 41.042 3.458 ( 0.000 -6.439 -7.927) 10.213 3.575 ( 0.000 2.560 -9.316) 9.662 5.208 ( -0.000 4.872 55.949) 56.161 7.688 ( 0.000 2.493 -42.442) 42.515 14.978 ( -0.000 -1.506 8.167) 8.305 15.056 ( -0.000 4.642 6.543) 8.023 16.967 ( 0.000 -5.181 -8.175) 9.678 17.035 ( 0.000 2.432 -8.081) 8.439 19.837 ( -0.000 -4.469 4.425) 6.289 20.922 ( 0.000 -0.130 -4.150) 4.152 ======================= Grid point 2695 (650/670) ======================= q-point: ( 0.47 0.42 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( 18.894 21.396 8.994) 29.928 2.295 ( 15.521 41.292 11.837) 45.673 3.372 ( 2.152 -7.799 -9.758) 12.675 3.567 ( -0.392 4.567 -10.477) 11.436 5.450 ( 2.592 6.081 48.096) 48.548 7.615 ( 2.257 4.471 -37.352) 37.686 14.997 ( 0.863 -1.979 6.879) 7.209 15.142 ( 1.819 6.458 5.992) 8.995 16.815 ( -6.420 -7.758 -6.289) 11.872 17.066 ( 2.700 1.173 -8.920) 9.393 19.764 ( -3.354 -6.563 2.581) 7.809 20.911 ( -0.278 0.344 -1.882) 1.933 ======================= Grid point 2696 (651/670) ======================= q-point: ( 0.53 0.42 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.409 ( 23.428 17.190 6.268) 29.726 2.862 ( 1.773 19.844 17.689) 26.642 3.386 ( 7.816 -2.219 -8.322) 11.631 3.713 ( 17.230 20.517 -16.853) 31.652 5.703 ( 4.068 6.356 36.105) 36.885 7.634 ( 5.414 6.921 -27.123) 28.511 15.000 ( -0.263 -2.128 4.647) 5.118 15.291 ( 5.148 7.514 6.109) 10.967 16.565 ( -10.176 -10.279 -4.247) 15.075 17.065 ( 0.066 -1.354 -8.861) 8.964 19.612 ( -6.198 -7.932 0.132) 10.068 20.909 ( -0.211 0.522 0.641) 0.853 ======================= Grid point 2697 (652/670) ======================= q-point: ( 0.58 0.42 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.650 ( -4.358 -7.383 7.046) 11.097 3.240 ( 15.736 26.276 -11.463) 32.702 3.452 ( 8.495 -0.865 11.911) 14.655 4.446 ( 33.888 31.441 -10.521) 47.410 5.932 ( 4.818 6.030 21.703) 23.035 7.783 ( 9.854 10.079 -13.313) 19.389 14.977 ( -0.991 -2.333 2.697) 3.701 15.495 ( 7.224 7.924 4.994) 11.829 16.245 ( -12.854 -11.667 -1.739) 17.446 16.975 ( -4.448 -4.448 -7.734) 9.969 19.401 ( -8.355 -8.623 -2.216) 12.209 20.916 ( -0.130 0.300 2.582) 2.602 ======================= Grid point 2698 (653/670) ======================= q-point: ( 0.63 0.42 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.435 ( -10.069 -9.223 1.807) 13.774 3.353 ( -0.297 1.837 -11.490) 11.640 4.062 ( 29.633 22.719 11.100) 38.955 5.280 ( 30.958 26.663 -8.506) 41.733 6.125 ( 5.382 5.387 12.143) 14.333 8.101 ( 16.029 14.060 -1.251) 21.359 14.939 ( -0.823 -3.519 1.139) 3.790 15.672 ( 0.121 4.385 -4.230) 6.094 15.937 ( -6.802 -7.574 7.978) 12.934 16.774 ( -9.623 -7.322 -6.400) 13.681 19.148 ( -9.729 -8.679 -4.219) 13.703 20.925 ( -0.038 -0.162 3.978) 3.981 ======================= Grid point 2714 (654/670) ======================= q-point: ( 0.47 0.47 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( -0.000 28.655 11.724) 30.960 2.654 ( -0.000 49.666 7.929) 50.295 3.235 ( 0.000 -11.171 -7.160) 13.268 3.576 ( 0.000 3.706 -10.399) 11.040 5.633 ( -0.000 7.058 39.363) 39.990 7.542 ( 0.000 7.082 -32.490) 33.253 14.993 ( -0.000 -1.728 6.889) 7.102 15.210 ( -0.000 7.530 3.727) 8.402 16.761 ( 0.000 -10.696 -6.883) 12.720 17.029 ( 0.000 0.789 -5.552) 5.608 19.723 ( -0.000 -8.881 2.103) 9.127 20.914 ( 0.000 0.914 -1.505) 1.761 ======================= Grid point 2715 (655/670) ======================= q-point: ( 0.53 0.47 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.358 ( 10.547 26.500 10.545) 30.409 3.093 ( -1.691 -5.361 11.868) 13.133 3.242 ( 7.710 33.170 -9.878) 35.458 3.646 ( 8.515 14.777 -10.514) 20.035 5.821 ( 1.605 6.991 26.371) 27.329 7.565 ( 3.115 9.978 -22.582) 24.884 14.995 ( -0.057 -1.993 5.142) 5.515 15.321 ( 2.517 8.629 3.085) 9.503 16.573 ( -5.575 -12.794 -5.191) 14.890 17.021 ( 0.583 -1.755 -4.376) 4.751 19.604 ( -3.156 -10.303 1.004) 10.822 20.920 ( -0.086 1.041 -0.484) 1.151 ======================= Grid point 2716 (656/670) ======================= q-point: ( 0.58 0.47 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.649 ( -0.846 -1.232 3.711) 4.000 3.233 ( 16.827 13.107 12.058) 24.502 3.401 ( -3.582 11.238 -11.597) 16.542 4.266 ( 24.973 39.184 -3.304) 46.583 5.985 ( 2.719 6.464 12.537) 14.365 7.714 ( 7.097 13.078 -10.272) 18.081 14.977 ( -0.983 -2.517 2.545) 3.712 15.486 ( 5.195 9.208 2.865) 10.954 16.299 ( -8.993 -14.028 -2.790) 16.895 16.966 ( -2.126 -4.923 -3.389) 6.344 19.422 ( -5.804 -10.867 -0.261) 12.323 20.927 ( -0.078 0.658 0.530) 0.849 ======================= Grid point 2717 (657/670) ======================= q-point: ( 0.63 0.47 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.490 ( -7.361 -10.663 0.984) 12.995 3.364 ( -1.912 1.008 -6.341) 6.699 3.874 ( 24.113 28.449 6.319) 37.825 5.074 ( 25.578 34.592 -3.776) 43.187 6.128 ( 4.089 5.960 4.833) 8.695 8.008 ( 12.070 16.410 -0.711) 20.383 14.924 ( -1.920 -4.297 0.265) 4.714 15.682 ( 5.137 9.265 -0.818) 10.626 15.994 ( -9.096 -13.075 2.321) 16.096 16.822 ( -6.353 -7.796 -2.334) 10.324 19.194 ( -7.809 -10.691 -1.448) 13.318 20.933 ( 0.009 -0.087 1.388) 1.391 ======================= Grid point 2734 (658/670) ======================= q-point: ( 0.53 0.53 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.607 ( -0.000 29.910 14.969) 33.446 2.938 ( 0.000 -13.965 -6.753) 15.512 3.601 ( 0.000 7.177 -14.064) 15.789 3.709 ( -0.000 50.221 10.346) 51.276 5.939 ( -0.000 6.856 12.835) 14.551 7.594 ( 0.000 13.038 -13.991) 19.124 14.994 ( -0.000 -1.818 4.538) 4.888 15.394 ( -0.000 9.218 1.188) 9.295 16.466 ( 0.000 -14.862 -5.458) 15.832 16.985 ( 0.000 -3.563 -0.644) 3.620 19.525 ( -0.000 -11.809 1.424) 11.895 20.929 ( 0.000 1.142 -1.114) 1.596 ======================= Grid point 2735 (659/670) ======================= q-point: ( 0.58 0.53 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.691 ( -5.925 -7.136 -1.122) 9.343 3.100 ( 14.296 14.371 15.546) 25.546 3.598 ( -4.451 16.837 -16.652) 24.095 4.359 ( 13.478 45.711 7.500) 48.243 6.036 ( 1.334 6.601 0.368) 6.744 7.740 ( 3.794 15.870 -4.902) 17.038 14.979 ( -0.966 -2.087 2.372) 3.303 15.514 ( 2.965 9.339 0.906) 9.840 16.257 ( -4.523 -15.716 -4.233) 16.893 16.932 ( -0.873 -6.509 1.310) 6.696 19.383 ( -2.907 -12.388 1.528) 12.816 20.934 ( -0.067 0.764 -1.385) 1.584 ======================= Grid point 2754 (660/670) ======================= q-point: (-0.42 -0.42 -0.63) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.616 ( 0.000 -14.603 -4.338) 15.234 3.200 ( -0.000 13.808 20.252) 24.511 3.770 ( 0.000 25.011 -19.514) 31.723 4.741 ( -0.000 45.955 11.862) 47.461 6.075 ( 0.000 6.903 -9.659) 11.872 7.869 ( -0.000 18.345 -0.325) 18.348 14.977 ( -0.000 -1.638 1.138) 1.995 15.577 ( -0.000 8.002 0.697) 8.032 16.122 ( 0.000 -15.699 -5.325) 16.578 16.873 ( -0.000 -9.137 4.707) 10.279 19.288 ( -0.000 -13.033 3.036) 13.382 20.935 ( 0.000 0.524 -2.929) 2.976 ======================= Grid point 3057 (661/670) ======================= q-point: ( 0.42 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( -0.000 0.000 7.926) 7.926 1.226 ( -0.000 0.000 7.926) 7.926 3.514 ( 0.000 -0.000 -6.527) 6.527 3.514 ( 0.000 -0.000 -6.527) 6.527 5.334 ( -0.000 0.000 53.588) 53.588 7.530 ( 0.000 -0.000 -42.145) 42.145 15.022 ( -0.000 0.000 6.197) 6.197 15.022 ( -0.000 0.000 6.197) 6.197 16.990 ( 0.000 -0.000 -6.328) 6.328 16.990 ( 0.000 -0.000 -6.328) 6.328 19.896 ( -0.000 0.000 4.472) 4.472 20.909 ( 0.000 -0.000 -4.650) 4.650 ======================= Grid point 3058 (662/670) ======================= q-point: ( 0.47 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( 19.344 11.168 3.363) 22.588 1.664 ( 31.999 18.475 9.669) 38.193 3.471 ( -2.499 -1.443 -8.572) 9.044 3.481 ( -0.507 -0.293 -3.760) 3.806 5.524 ( 2.739 1.581 45.729) 45.838 7.437 ( 2.871 1.657 -36.841) 36.990 15.043 ( -0.201 -0.116 4.200) 4.207 15.069 ( 3.049 1.760 5.910) 6.879 16.905 ( -5.491 -3.170 -4.348) 7.688 17.012 ( 2.636 1.522 -6.741) 7.396 19.862 ( -4.002 -2.311 2.995) 5.507 20.898 ( 0.173 0.100 -2.828) 2.835 ======================= Grid point 3059 (663/670) ======================= q-point: ( 0.53 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.063 ( 27.906 16.111 -1.078) 32.241 2.499 ( 31.585 18.236 18.018) 40.679 3.399 ( 3.348 1.933 -18.442) 18.843 3.468 ( -0.045 -0.026 -0.037) 0.064 5.728 ( 4.136 2.388 33.001) 33.345 7.444 ( 6.493 3.749 -25.808) 26.875 15.039 ( -1.006 -0.581 2.244) 2.526 15.195 ( 6.262 3.616 5.377) 9.011 16.716 ( -10.024 -5.788 -2.271) 11.796 17.042 ( 1.333 0.770 -6.943) 7.112 19.736 ( -7.351 -4.244 0.761) 8.523 20.901 ( 0.480 0.277 -0.283) 0.623 ======================= Grid point 3060 (664/670) ======================= q-point: ( 0.58 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.724 ( 29.763 17.184 -9.164) 35.568 2.831 ( -6.193 -3.575 14.832) 16.466 3.494 ( 2.233 1.289 8.116) 8.516 3.846 ( 39.049 22.545 -17.684) 48.434 5.912 ( 4.889 2.823 18.588) 19.426 7.582 ( 10.759 6.212 -11.476) 16.913 15.013 ( -1.522 -0.878 0.423) 1.807 15.380 ( 8.387 4.842 4.008) 10.481 16.440 ( -13.551 -7.824 0.187) 15.649 17.010 ( -2.695 -1.556 -6.014) 6.772 19.538 ( -9.750 -5.629 -1.346) 11.338 20.916 ( 0.548 0.317 1.666) 1.782 ======================= Grid point 3077 (665/670) ======================= q-point: ( 0.47 0.47 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( -0.000 19.687 7.468) 21.056 1.740 ( -0.000 40.360 2.187) 40.419 3.408 ( 0.000 -6.718 -2.521) 7.176 3.503 ( 0.000 1.456 -5.926) 6.102 5.656 ( -0.000 2.988 36.709) 36.831 7.332 ( 0.000 3.938 -30.670) 30.922 15.039 ( -0.000 -1.037 4.662) 4.776 15.100 ( -0.000 4.327 2.781) 5.143 16.906 ( 0.000 -5.583 -4.582) 7.222 16.980 ( 0.000 2.046 -3.502) 4.056 19.869 ( -0.000 -4.956 2.315) 5.470 20.892 ( 0.000 0.623 -2.217) 2.303 ======================= Grid point 3078 (666/670) ======================= q-point: ( 0.53 0.47 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( 16.090 23.603 3.380) 28.765 2.373 ( 20.897 42.352 4.514) 47.442 3.308 ( -1.639 -8.686 -3.582) 9.538 3.497 ( -0.217 2.528 -4.139) 4.855 5.797 ( 1.725 3.532 22.139) 22.485 7.336 ( 3.624 6.448 -18.543) 19.964 15.041 ( -0.067 -1.370 2.507) 2.857 15.180 ( 2.796 6.035 2.163) 6.994 16.774 ( -5.505 -8.367 -2.276) 10.271 17.009 ( 1.469 1.329 -3.144) 3.716 19.780 ( -3.868 -6.967 0.933) 8.023 20.898 ( 0.346 0.891 -0.716) 1.194 ======================= Grid point 3079 (667/670) ======================= q-point: ( 0.58 0.47 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.425 ( 21.111 20.712 -3.081) 29.735 3.020 ( -3.645 12.033 16.273) 20.564 3.305 ( 19.768 4.510 -11.043) 23.088 3.605 ( 11.625 18.671 -3.798) 22.319 5.919 ( 3.109 3.815 7.294) 8.800 7.473 ( 7.597 8.860 -4.640) 12.559 15.021 ( -0.993 -1.547 -0.227) 1.853 15.328 ( 5.811 7.096 1.688) 9.326 16.546 ( -9.355 -10.807 0.433) 14.300 17.012 ( -0.857 -0.929 -2.407) 2.719 19.611 ( -6.984 -8.157 -0.451) 10.748 20.915 ( 0.586 0.739 0.572) 1.103 ======================= Grid point 3097 (668/670) ======================= q-point: ( 0.53 0.53 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.022 ( -0.000 30.513 7.361) 31.389 2.640 ( 0.000 46.161 -10.308) 47.298 3.255 ( -0.000 -6.723 10.828) 12.745 3.497 ( 0.000 1.670 -6.110) 6.334 5.865 ( -0.000 4.055 6.373) 7.554 7.341 ( 0.000 9.009 -6.521) 11.121 15.038 ( -0.000 -1.398 2.531) 2.891 15.224 ( 0.000 7.445 -0.815) 7.490 16.716 ( 0.000 -11.193 -2.495) 11.468 17.006 ( -0.000 0.980 0.691) 1.199 19.736 ( -0.000 -9.014 0.738) 9.044 20.903 ( 0.000 1.133 -0.686) 1.324 ======================= Grid point 3440 (669/670) ======================= q-point: ( 0.47 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( -0.000 0.000 2.788) 2.788 1.277 ( -0.000 0.000 2.788) 2.788 3.472 ( 0.000 -0.000 -2.342) 2.342 3.472 ( 0.000 -0.000 -2.342) 2.342 5.727 ( -0.000 0.000 25.872) 25.872 7.208 ( 0.000 -0.000 -22.072) 22.072 15.062 ( -0.000 0.000 2.237) 2.237 15.062 ( -0.000 0.000 2.237) 2.237 16.950 ( 0.000 -0.000 -2.282) 2.282 16.950 ( 0.000 -0.000 -2.282) 2.282 19.926 ( -0.000 0.000 1.659) 1.659 20.879 ( 0.000 -0.000 -1.719) 1.719 ======================= Grid point 3441 (670/670) ======================= q-point: ( 0.53 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( 18.211 10.514 -2.249) 21.148 1.730 ( 33.860 19.549 4.281) 39.332 3.413 ( -4.659 -2.690 -3.542) 6.441 3.469 ( 0.260 0.150 1.259) 1.294 5.803 ( 1.768 1.021 8.868) 9.100 7.206 ( 3.980 2.298 -7.448) 8.752 15.062 ( -0.513 -0.296 -0.204) 0.626 15.105 ( 3.413 1.971 1.718) 4.299 16.884 ( -5.183 -2.993 0.059) 5.986 16.972 ( 1.964 1.134 -1.735) 2.855 19.878 ( -4.349 -2.511 0.395) 5.038 20.883 ( 0.645 0.373 -0.366) 0.830 =================== 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 3/82308 10.0 2645.898 2645.898 3059.005 0.000 -0.000 -0.000 3/82308 20.0 1511.992 1511.992 1689.626 0.000 -0.000 -0.000 3/82308 30.0 879.448 879.448 1009.033 0.000 -0.000 -0.000 3/82308 40.0 623.349 623.349 710.825 0.000 -0.000 -0.000 3/82308 50.0 501.044 501.044 563.451 0.000 -0.000 -0.000 3/82308 60.0 430.717 430.717 476.194 0.000 -0.000 -0.000 3/82308 70.0 382.495 382.495 416.434 0.000 -0.000 -0.000 3/82308 80.0 344.636 344.636 371.092 0.000 -0.000 -0.000 3/82308 90.0 312.467 312.467 334.364 0.000 -0.000 -0.000 3/82308 100.0 284.170 284.170 303.450 0.000 -0.000 -0.000 3/82308 110.0 259.017 259.017 276.872 0.000 -0.000 -0.000 3/82308 120.0 236.658 236.658 253.759 0.000 -0.000 -0.000 3/82308 130.0 216.839 216.839 233.532 0.000 -0.000 -0.000 3/82308 140.0 199.321 199.321 215.760 0.000 -0.000 -0.000 3/82308 150.0 183.863 183.863 200.097 0.000 -0.000 -0.000 3/82308 160.0 170.227 170.227 186.253 0.000 -0.000 -0.000 3/82308 170.0 158.186 158.186 173.981 0.000 -0.000 -0.000 3/82308 180.0 147.533 147.533 163.068 0.000 -0.000 -0.000 3/82308 190.0 138.081 138.081 153.331 0.000 -0.000 -0.000 3/82308 200.0 129.669 129.669 144.612 0.000 -0.000 -0.000 3/82308 210.0 122.155 122.155 136.778 0.000 -0.000 -0.000 3/82308 220.0 115.418 115.418 129.713 0.000 -0.000 -0.000 3/82308 230.0 109.355 109.355 123.318 0.000 -0.000 -0.000 3/82308 240.0 103.878 103.878 117.510 0.000 -0.000 -0.000 3/82308 250.0 98.912 98.912 112.216 0.000 -0.000 -0.000 3/82308 260.0 94.393 94.393 107.375 0.000 -0.000 -0.000 3/82308 270.0 90.266 90.266 102.934 0.000 -0.000 -0.000 3/82308 280.0 86.484 86.484 98.848 0.000 -0.000 -0.000 3/82308 290.0 83.009 83.009 95.076 0.000 -0.000 -0.000 3/82308 300.0 79.804 79.804 91.585 0.000 -0.000 -0.000 3/82308 310.0 76.841 76.841 88.346 0.000 -0.000 -0.000 3/82308 320.0 74.094 74.094 85.333 0.000 -0.000 -0.000 3/82308 330.0 71.540 71.540 82.522 0.000 -0.000 -0.000 3/82308 340.0 69.161 69.161 79.896 0.000 -0.000 -0.000 3/82308 350.0 66.938 66.938 77.435 0.000 -0.000 -0.000 3/82308 360.0 64.857 64.857 75.126 0.000 -0.000 -0.000 3/82308 370.0 62.906 62.906 72.954 0.000 -0.000 -0.000 3/82308 380.0 61.071 61.071 70.908 0.000 -0.000 -0.000 3/82308 390.0 59.344 59.344 68.977 0.000 -0.000 -0.000 3/82308 400.0 57.715 57.715 67.151 0.000 -0.000 -0.000 3/82308 410.0 56.175 56.175 65.422 0.000 -0.000 -0.000 3/82308 420.0 54.718 54.718 63.783 0.000 -0.000 -0.000 3/82308 430.0 53.337 53.337 62.227 0.000 -0.000 -0.000 3/82308 440.0 52.026 52.026 60.746 0.000 -0.000 -0.000 3/82308 450.0 50.780 50.780 59.337 0.000 -0.000 -0.000 3/82308 460.0 49.595 49.595 57.994 0.000 -0.000 -0.000 3/82308 470.0 48.465 48.465 56.712 0.000 -0.000 -0.000 3/82308 480.0 47.387 47.387 55.487 0.000 -0.000 -0.000 3/82308 490.0 46.357 46.357 54.315 0.000 -0.000 -0.000 3/82308 500.0 45.373 45.373 53.194 0.000 -0.000 -0.000 3/82308 510.0 44.430 44.430 52.119 0.000 -0.000 -0.000 3/82308 520.0 43.528 43.528 51.087 0.000 -0.000 -0.000 3/82308 530.0 42.662 42.662 50.097 0.000 -0.000 -0.000 3/82308 540.0 41.831 41.831 49.146 0.000 -0.000 -0.000 3/82308 550.0 41.033 41.033 48.231 0.000 -0.000 -0.000 3/82308 560.0 40.265 40.265 47.351 0.000 -0.000 -0.000 3/82308 570.0 39.527 39.527 46.502 0.000 -0.000 -0.000 3/82308 580.0 38.816 38.816 45.685 0.000 -0.000 -0.000 3/82308 590.0 38.131 38.131 44.896 0.000 -0.000 -0.000 3/82308 600.0 37.470 37.470 44.135 0.000 -0.000 -0.000 3/82308 610.0 36.832 36.832 43.400 0.000 -0.000 -0.000 3/82308 620.0 36.216 36.216 42.689 0.000 -0.000 -0.000 3/82308 630.0 35.621 35.621 42.002 0.000 -0.000 -0.000 3/82308 640.0 35.046 35.046 41.337 0.000 -0.000 -0.000 3/82308 650.0 34.489 34.489 40.694 0.000 -0.000 -0.000 3/82308 660.0 33.951 33.951 40.070 0.000 -0.000 -0.000 3/82308 670.0 33.429 33.429 39.466 0.000 -0.000 -0.000 3/82308 680.0 32.923 32.923 38.880 0.000 -0.000 -0.000 3/82308 690.0 32.433 32.433 38.312 0.000 -0.000 -0.000 3/82308 700.0 31.958 31.958 37.760 0.000 -0.000 -0.000 3/82308 710.0 31.496 31.496 37.225 0.000 -0.000 -0.000 3/82308 720.0 31.048 31.048 36.704 0.000 -0.000 -0.000 3/82308 730.0 30.613 30.613 36.198 0.000 -0.000 -0.000 3/82308 740.0 30.190 30.190 35.707 0.000 -0.000 -0.000 3/82308 750.0 29.779 29.779 35.228 0.000 -0.000 -0.000 3/82308 760.0 29.379 29.379 34.763 0.000 -0.000 -0.000 3/82308 770.0 28.990 28.990 34.310 0.000 -0.000 -0.000 3/82308 780.0 28.612 28.612 33.868 0.000 -0.000 -0.000 3/82308 790.0 28.243 28.243 33.439 0.000 -0.000 -0.000 3/82308 800.0 27.884 27.884 33.020 0.000 -0.000 -0.000 3/82308 810.0 27.534 27.534 32.611 0.000 -0.000 -0.000 3/82308 820.0 27.193 27.193 32.213 0.000 -0.000 -0.000 3/82308 830.0 26.860 26.860 31.825 0.000 -0.000 -0.000 3/82308 840.0 26.536 26.536 31.446 0.000 -0.000 -0.000 3/82308 850.0 26.219 26.219 31.076 0.000 -0.000 -0.000 3/82308 860.0 25.910 25.910 30.714 0.000 -0.000 -0.000 3/82308 870.0 25.609 25.609 30.362 0.000 -0.000 -0.000 3/82308 880.0 25.314 25.314 30.017 0.000 -0.000 -0.000 3/82308 890.0 25.027 25.027 29.680 0.000 -0.000 -0.000 3/82308 900.0 24.745 24.745 29.351 0.000 -0.000 -0.000 3/82308 910.0 24.470 24.470 29.029 0.000 -0.000 -0.000 3/82308 920.0 24.202 24.202 28.714 0.000 -0.000 -0.000 3/82308 930.0 23.939 23.939 28.406 0.000 -0.000 -0.000 3/82308 940.0 23.682 23.682 28.104 0.000 -0.000 -0.000 3/82308 950.0 23.430 23.430 27.810 0.000 -0.000 -0.000 3/82308 960.0 23.184 23.184 27.521 0.000 -0.000 -0.000 3/82308 970.0 22.943 22.943 27.238 0.000 -0.000 -0.000 3/82308 980.0 22.707 22.707 26.961 0.000 -0.000 -0.000 3/82308 990.0 22.476 22.476 26.690 0.000 -0.000 -0.000 3/82308 1000.0 22.250 22.250 26.424 0.000 -0.000 -0.000 3/82308 Thermal conductivity related properties were written into "kappa-m191919.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:26:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|