----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 18:48:48]------------------------- Compiled with OpenMP support (max 48 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 2] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Immm (71) Number of symmetry operations in supercell: 288 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -1.782320480000000 2.401559200000000 2.648687920000000 b 1.782320480000000 -2.401559200000000 2.648687920000000 c 1.782320480000000 2.401559200000000 -2.648687920000000 Atomic positions (fractional): *1 Li 0.76133854572285 0.26133854572285 0.50000000000000 6.941 2 Li 0.23866145427715 0.73866145427715 0.50000000000000 6.941 *3 C 0.63105219282507 0.50000000000000 0.13105219282507 12.011 4 C 0.36894780717493 0.50000000000000 0.86894780717493 12.011 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.564640960000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.803118400000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.297375839999999 Atomic positions (fractional): *1 Li 0.00000000000000 0.50000000000000 0.26133854572285 6.941 > 1 2 Li 0.00000000000000 0.50000000000000 0.73866145427715 6.941 > 2 3 Li 0.50000000000000 0.00000000000000 0.76133854572285 6.941 > 1 4 Li 0.50000000000000 0.00000000000000 0.23866145427715 6.941 > 2 *5 C 0.50000000000000 0.63105219282507 0.00000000000000 12.011 > 3 6 C 0.50000000000000 0.36894780717493 0.00000000000000 12.011 > 4 7 C 0.00000000000000 0.13105219282507 0.50000000000000 12.011 > 3 8 C 0.00000000000000 0.86894780717493 0.50000000000000 12.011 > 4 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.693922880000001 0.000000000000000 0.000000000000000 b 0.000000000000000 14.409355200000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.594751679999998 Atomic positions (fractional): *1 Li 0.00000000000000 0.16666666666667 0.13066927286143 6.941 > 1 2 Li 0.33333333333333 0.16666666666667 0.13066927286143 6.941 > 1 3 Li 0.66666666666667 0.16666666666667 0.13066927286143 6.941 > 1 4 Li 0.00000000000000 0.50000000000000 0.13066927286143 6.941 > 1 5 Li 0.33333333333333 0.50000000000000 0.13066927286143 6.941 > 1 6 Li 0.66666666666667 0.50000000000000 0.13066927286143 6.941 > 1 7 Li 0.00000000000000 0.83333333333333 0.13066927286143 6.941 > 1 8 Li 0.33333333333333 0.83333333333333 0.13066927286143 6.941 > 1 9 Li 0.66666666666667 0.83333333333333 0.13066927286143 6.941 > 1 10 Li 0.00000000000000 0.16666666666667 0.63066927286143 6.941 > 1 11 Li 0.33333333333333 0.16666666666667 0.63066927286143 6.941 > 1 12 Li 0.66666666666667 0.16666666666667 0.63066927286143 6.941 > 1 13 Li 0.00000000000000 0.50000000000000 0.63066927286143 6.941 > 1 14 Li 0.33333333333333 0.50000000000000 0.63066927286143 6.941 > 1 15 Li 0.66666666666667 0.50000000000000 0.63066927286143 6.941 > 1 16 Li 0.00000000000000 0.83333333333333 0.63066927286143 6.941 > 1 17 Li 0.33333333333333 0.83333333333333 0.63066927286143 6.941 > 1 18 Li 0.66666666666667 0.83333333333333 0.63066927286143 6.941 > 1 19 Li 0.00000000000000 0.16666666666667 0.36933072713857 6.941 > 2 20 Li 0.33333333333333 0.16666666666667 0.36933072713857 6.941 > 2 21 Li 0.66666666666667 0.16666666666667 0.36933072713857 6.941 > 2 22 Li 0.00000000000000 0.50000000000000 0.36933072713857 6.941 > 2 23 Li 0.33333333333333 0.50000000000000 0.36933072713857 6.941 > 2 24 Li 0.66666666666667 0.50000000000000 0.36933072713857 6.941 > 2 25 Li 0.00000000000000 0.83333333333333 0.36933072713857 6.941 > 2 26 Li 0.33333333333333 0.83333333333333 0.36933072713857 6.941 > 2 27 Li 0.66666666666667 0.83333333333333 0.36933072713857 6.941 > 2 28 Li 0.00000000000000 0.16666666666667 0.86933072713857 6.941 > 2 29 Li 0.33333333333333 0.16666666666667 0.86933072713857 6.941 > 2 30 Li 0.66666666666667 0.16666666666667 0.86933072713857 6.941 > 2 31 Li 0.00000000000000 0.50000000000000 0.86933072713857 6.941 > 2 32 Li 0.33333333333333 0.50000000000000 0.86933072713857 6.941 > 2 33 Li 0.66666666666667 0.50000000000000 0.86933072713857 6.941 > 2 34 Li 0.00000000000000 0.83333333333333 0.86933072713857 6.941 > 2 35 Li 0.33333333333333 0.83333333333333 0.86933072713857 6.941 > 2 36 Li 0.66666666666667 0.83333333333333 0.86933072713857 6.941 > 2 37 Li 0.16666666666667 0.00000000000000 0.38066927286143 6.941 > 1 38 Li 0.50000000000000 0.00000000000000 0.38066927286143 6.941 > 1 39 Li 0.83333333333333 0.00000000000000 0.38066927286143 6.941 > 1 40 Li 0.16666666666667 0.33333333333333 0.38066927286143 6.941 > 1 41 Li 0.50000000000000 0.33333333333333 0.38066927286143 6.941 > 1 42 Li 0.83333333333333 0.33333333333333 0.38066927286143 6.941 > 1 43 Li 0.16666666666667 0.66666666666667 0.38066927286143 6.941 > 1 44 Li 0.50000000000000 0.66666666666667 0.38066927286143 6.941 > 1 45 Li 0.83333333333333 0.66666666666667 0.38066927286143 6.941 > 1 46 Li 0.16666666666667 0.00000000000000 0.88066927286143 6.941 > 1 47 Li 0.50000000000000 0.00000000000000 0.88066927286143 6.941 > 1 48 Li 0.83333333333333 0.00000000000000 0.88066927286143 6.941 > 1 49 Li 0.16666666666667 0.33333333333333 0.88066927286143 6.941 > 1 50 Li 0.50000000000000 0.33333333333333 0.88066927286143 6.941 > 1 51 Li 0.83333333333333 0.33333333333333 0.88066927286143 6.941 > 1 52 Li 0.16666666666667 0.66666666666667 0.88066927286143 6.941 > 1 53 Li 0.50000000000000 0.66666666666667 0.88066927286143 6.941 > 1 54 Li 0.83333333333333 0.66666666666667 0.88066927286143 6.941 > 1 55 Li 0.16666666666667 0.00000000000000 0.11933072713857 6.941 > 2 56 Li 0.50000000000000 0.00000000000000 0.11933072713857 6.941 > 2 57 Li 0.83333333333333 0.00000000000000 0.11933072713857 6.941 > 2 58 Li 0.16666666666667 0.33333333333333 0.11933072713857 6.941 > 2 59 Li 0.50000000000000 0.33333333333333 0.11933072713857 6.941 > 2 60 Li 0.83333333333333 0.33333333333333 0.11933072713857 6.941 > 2 61 Li 0.16666666666667 0.66666666666667 0.11933072713857 6.941 > 2 62 Li 0.50000000000000 0.66666666666667 0.11933072713857 6.941 > 2 63 Li 0.83333333333333 0.66666666666667 0.11933072713857 6.941 > 2 64 Li 0.16666666666667 0.00000000000000 0.61933072713857 6.941 > 2 65 Li 0.50000000000000 0.00000000000000 0.61933072713857 6.941 > 2 66 Li 0.83333333333333 0.00000000000000 0.61933072713857 6.941 > 2 67 Li 0.16666666666667 0.33333333333333 0.61933072713857 6.941 > 2 68 Li 0.50000000000000 0.33333333333333 0.61933072713857 6.941 > 2 69 Li 0.83333333333333 0.33333333333333 0.61933072713857 6.941 > 2 70 Li 0.16666666666667 0.66666666666667 0.61933072713857 6.941 > 2 71 Li 0.50000000000000 0.66666666666667 0.61933072713857 6.941 > 2 72 Li 0.83333333333333 0.66666666666667 0.61933072713857 6.941 > 2 *73 C 0.16666666666667 0.21035073094169 0.00000000000000 12.011 > 3 74 C 0.50000000000000 0.21035073094169 0.00000000000000 12.011 > 3 75 C 0.83333333333333 0.21035073094169 0.00000000000000 12.011 > 3 76 C 0.16666666666667 0.54368406427502 0.00000000000000 12.011 > 3 77 C 0.50000000000000 0.54368406427502 0.00000000000000 12.011 > 3 78 C 0.83333333333333 0.54368406427502 0.00000000000000 12.011 > 3 79 C 0.16666666666667 0.87701739760836 0.00000000000000 12.011 > 3 80 C 0.50000000000000 0.87701739760836 0.00000000000000 12.011 > 3 81 C 0.83333333333333 0.87701739760836 0.00000000000000 12.011 > 3 82 C 0.16666666666667 0.21035073094169 0.50000000000000 12.011 > 3 83 C 0.50000000000000 0.21035073094169 0.50000000000000 12.011 > 3 84 C 0.83333333333333 0.21035073094169 0.50000000000000 12.011 > 3 85 C 0.16666666666667 0.54368406427502 0.50000000000000 12.011 > 3 86 C 0.50000000000000 0.54368406427502 0.50000000000000 12.011 > 3 87 C 0.83333333333333 0.54368406427502 0.50000000000000 12.011 > 3 88 C 0.16666666666667 0.87701739760836 0.50000000000000 12.011 > 3 89 C 0.50000000000000 0.87701739760836 0.50000000000000 12.011 > 3 90 C 0.83333333333333 0.87701739760836 0.50000000000000 12.011 > 3 91 C 0.16666666666667 0.12298260239164 0.00000000000000 12.011 > 4 92 C 0.50000000000000 0.12298260239164 0.00000000000000 12.011 > 4 93 C 0.83333333333333 0.12298260239164 0.00000000000000 12.011 > 4 94 C 0.16666666666667 0.45631593572498 0.00000000000000 12.011 > 4 95 C 0.50000000000000 0.45631593572498 0.00000000000000 12.011 > 4 96 C 0.83333333333333 0.45631593572498 0.00000000000000 12.011 > 4 97 C 0.16666666666667 0.78964926905831 0.00000000000000 12.011 > 4 98 C 0.50000000000000 0.78964926905831 0.00000000000000 12.011 > 4 99 C 0.83333333333333 0.78964926905831 0.00000000000000 12.011 > 4 100 C 0.16666666666667 0.12298260239164 0.50000000000000 12.011 > 4 101 C 0.50000000000000 0.12298260239164 0.50000000000000 12.011 > 4 102 C 0.83333333333333 0.12298260239164 0.50000000000000 12.011 > 4 103 C 0.16666666666667 0.45631593572498 0.50000000000000 12.011 > 4 104 C 0.50000000000000 0.45631593572498 0.50000000000000 12.011 > 4 105 C 0.83333333333333 0.45631593572498 0.50000000000000 12.011 > 4 106 C 0.16666666666667 0.78964926905831 0.50000000000000 12.011 > 4 107 C 0.50000000000000 0.78964926905831 0.50000000000000 12.011 > 4 108 C 0.83333333333333 0.78964926905831 0.50000000000000 12.011 > 4 109 C 0.00000000000000 0.04368406427502 0.25000000000000 12.011 > 3 110 C 0.33333333333333 0.04368406427502 0.25000000000000 12.011 > 3 111 C 0.66666666666667 0.04368406427502 0.25000000000000 12.011 > 3 112 C 0.00000000000000 0.37701739760836 0.25000000000000 12.011 > 3 113 C 0.33333333333333 0.37701739760836 0.25000000000000 12.011 > 3 114 C 0.66666666666667 0.37701739760836 0.25000000000000 12.011 > 3 115 C 0.00000000000000 0.71035073094169 0.25000000000000 12.011 > 3 116 C 0.33333333333333 0.71035073094169 0.25000000000000 12.011 > 3 117 C 0.66666666666667 0.71035073094169 0.25000000000000 12.011 > 3 118 C 0.00000000000000 0.04368406427502 0.75000000000000 12.011 > 3 119 C 0.33333333333333 0.04368406427502 0.75000000000000 12.011 > 3 120 C 0.66666666666667 0.04368406427502 0.75000000000000 12.011 > 3 121 C 0.00000000000000 0.37701739760836 0.75000000000000 12.011 > 3 122 C 0.33333333333333 0.37701739760836 0.75000000000000 12.011 > 3 123 C 0.66666666666667 0.37701739760836 0.75000000000000 12.011 > 3 124 C 0.00000000000000 0.71035073094169 0.75000000000000 12.011 > 3 125 C 0.33333333333333 0.71035073094169 0.75000000000000 12.011 > 3 126 C 0.66666666666667 0.71035073094169 0.75000000000000 12.011 > 3 127 C 0.00000000000000 0.28964926905831 0.25000000000000 12.011 > 4 128 C 0.33333333333333 0.28964926905831 0.25000000000000 12.011 > 4 129 C 0.66666666666667 0.28964926905831 0.25000000000000 12.011 > 4 130 C 0.00000000000000 0.62298260239164 0.25000000000000 12.011 > 4 131 C 0.33333333333333 0.62298260239164 0.25000000000000 12.011 > 4 132 C 0.66666666666667 0.62298260239164 0.25000000000000 12.011 > 4 133 C 0.00000000000000 0.95631593572498 0.25000000000000 12.011 > 4 134 C 0.33333333333333 0.95631593572498 0.25000000000000 12.011 > 4 135 C 0.66666666666667 0.95631593572498 0.25000000000000 12.011 > 4 136 C 0.00000000000000 0.28964926905831 0.75000000000000 12.011 > 4 137 C 0.33333333333333 0.28964926905831 0.75000000000000 12.011 > 4 138 C 0.66666666666667 0.28964926905831 0.75000000000000 12.011 > 4 139 C 0.00000000000000 0.62298260239164 0.75000000000000 12.011 > 4 140 C 0.33333333333333 0.62298260239164 0.75000000000000 12.011 > 4 141 C 0.66666666666667 0.62298260239164 0.75000000000000 12.011 > 4 142 C 0.00000000000000 0.95631593572498 0.75000000000000 12.011 > 4 143 C 0.33333333333333 0.95631593572498 0.75000000000000 12.011 > 4 144 C 0.66666666666667 0.95631593572498 0.75000000000000 12.011 > 4 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0652616 0.0000000 0.0000000 0.0000000 3.9184431 0.0000000 0.0000000 0.0000000 3.3373468 -------------------------- Born effective charges -------------------------- 1 Li 0.9520132 0.0000000 0.0000000 0.0000000 0.8786959 0.0000000 0.0000000 0.0000000 0.9366849 2 Li 0.9520132 0.0000000 0.0000000 0.0000000 0.8786959 0.0000000 0.0000000 0.0000000 0.9366849 3 C -0.9520132 0.0000000 0.0000000 0.0000000 -0.8786959 0.0000000 0.0000000 0.0000000 -0.9366849 4 C -0.9520132 0.0000000 0.0000000 0.0000000 -0.8786959 0.0000000 0.0000000 0.0000000 -0.9366849 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 3540/3540 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 418 Number of blocks in projector: 418 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: 82 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 82 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 82 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 76 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 50 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 46 Use standard eigh solver. Tree of FC basis block matrices: - (418, 412), data: False |-- (46, 46), data: True |-- (50, 50), data: True |-- (76, 76), data: True |-- (82, 80), data: True |-- (82, 80), data: True |-- (82, 80), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.007 Solver_block: 80 / 80 - Time: 0.266 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.275 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 3540/3540 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 418 Number of blocks in projector: 418 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: 82 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 82 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 82 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 76 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 50 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 46 Use standard eigh solver. Tree of FC basis block matrices: - (418, 412), data: False |-- (46, 46), data: True |-- (50, 50), data: True |-- (76, 76), data: True |-- (82, 80), data: True |-- (82, 80), data: True |-- (82, 80), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 18:48:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:48:53]------------------------- Compiled with OpenMP support (max 48 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 2] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Immm (71) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -1.782320480000000 2.401559200000000 2.648687920000000 b 1.782320480000000 -2.401559200000000 2.648687920000000 c 1.782320480000000 2.401559200000000 -2.648687920000000 Atomic positions (fractional): 1 Li 0.76133854572285 0.26133854572285 0.50000000000000 6.941 2 Li 0.23866145427715 0.73866145427715 0.50000000000000 6.941 3 C 0.63105219282507 0.50000000000000 0.13105219282507 12.011 4 C 0.36894780717493 0.50000000000000 0.86894780717493 12.011 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.693922880000001 0.000000000000000 0.000000000000000 b 0.000000000000000 14.409355200000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.594751679999998 Atomic positions (fractional): 1 Li 0.00000000000000 0.16666666666667 0.13066927286143 6.941 > 1 2 Li 0.33333333333333 0.16666666666667 0.13066927286143 6.941 > 1 3 Li 0.66666666666667 0.16666666666667 0.13066927286143 6.941 > 1 4 Li 0.00000000000000 0.50000000000000 0.13066927286143 6.941 > 1 5 Li 0.33333333333333 0.50000000000000 0.13066927286143 6.941 > 1 6 Li 0.66666666666667 0.50000000000000 0.13066927286143 6.941 > 1 7 Li 0.00000000000000 0.83333333333333 0.13066927286143 6.941 > 1 8 Li 0.33333333333333 0.83333333333333 0.13066927286143 6.941 > 1 9 Li 0.66666666666667 0.83333333333333 0.13066927286143 6.941 > 1 10 Li 0.00000000000000 0.16666666666667 0.63066927286143 6.941 > 1 11 Li 0.33333333333333 0.16666666666667 0.63066927286143 6.941 > 1 12 Li 0.66666666666667 0.16666666666667 0.63066927286143 6.941 > 1 13 Li 0.00000000000000 0.50000000000000 0.63066927286143 6.941 > 1 14 Li 0.33333333333333 0.50000000000000 0.63066927286143 6.941 > 1 15 Li 0.66666666666667 0.50000000000000 0.63066927286143 6.941 > 1 16 Li 0.00000000000000 0.83333333333333 0.63066927286143 6.941 > 1 17 Li 0.33333333333333 0.83333333333333 0.63066927286143 6.941 > 1 18 Li 0.66666666666667 0.83333333333333 0.63066927286143 6.941 > 1 19 Li 0.00000000000000 0.16666666666667 0.36933072713857 6.941 > 19 20 Li 0.33333333333333 0.16666666666667 0.36933072713857 6.941 > 19 21 Li 0.66666666666667 0.16666666666667 0.36933072713857 6.941 > 19 22 Li 0.00000000000000 0.50000000000000 0.36933072713857 6.941 > 19 23 Li 0.33333333333333 0.50000000000000 0.36933072713857 6.941 > 19 24 Li 0.66666666666667 0.50000000000000 0.36933072713857 6.941 > 19 25 Li 0.00000000000000 0.83333333333333 0.36933072713857 6.941 > 19 26 Li 0.33333333333333 0.83333333333333 0.36933072713857 6.941 > 19 27 Li 0.66666666666667 0.83333333333333 0.36933072713857 6.941 > 19 28 Li 0.00000000000000 0.16666666666667 0.86933072713857 6.941 > 19 29 Li 0.33333333333333 0.16666666666667 0.86933072713857 6.941 > 19 30 Li 0.66666666666667 0.16666666666667 0.86933072713857 6.941 > 19 31 Li 0.00000000000000 0.50000000000000 0.86933072713857 6.941 > 19 32 Li 0.33333333333333 0.50000000000000 0.86933072713857 6.941 > 19 33 Li 0.66666666666667 0.50000000000000 0.86933072713857 6.941 > 19 34 Li 0.00000000000000 0.83333333333333 0.86933072713857 6.941 > 19 35 Li 0.33333333333333 0.83333333333333 0.86933072713857 6.941 > 19 36 Li 0.66666666666667 0.83333333333333 0.86933072713857 6.941 > 19 37 Li 0.16666666666667 0.00000000000000 0.38066927286143 6.941 > 1 38 Li 0.50000000000000 0.00000000000000 0.38066927286143 6.941 > 1 39 Li 0.83333333333333 0.00000000000000 0.38066927286143 6.941 > 1 40 Li 0.16666666666667 0.33333333333333 0.38066927286143 6.941 > 1 41 Li 0.50000000000000 0.33333333333333 0.38066927286143 6.941 > 1 42 Li 0.83333333333333 0.33333333333333 0.38066927286143 6.941 > 1 43 Li 0.16666666666667 0.66666666666667 0.38066927286143 6.941 > 1 44 Li 0.50000000000000 0.66666666666667 0.38066927286143 6.941 > 1 45 Li 0.83333333333333 0.66666666666667 0.38066927286143 6.941 > 1 46 Li 0.16666666666667 0.00000000000000 0.88066927286143 6.941 > 1 47 Li 0.50000000000000 0.00000000000000 0.88066927286143 6.941 > 1 48 Li 0.83333333333333 0.00000000000000 0.88066927286143 6.941 > 1 49 Li 0.16666666666667 0.33333333333333 0.88066927286143 6.941 > 1 50 Li 0.50000000000000 0.33333333333333 0.88066927286143 6.941 > 1 51 Li 0.83333333333333 0.33333333333333 0.88066927286143 6.941 > 1 52 Li 0.16666666666667 0.66666666666667 0.88066927286143 6.941 > 1 53 Li 0.50000000000000 0.66666666666667 0.88066927286143 6.941 > 1 54 Li 0.83333333333333 0.66666666666667 0.88066927286143 6.941 > 1 55 Li 0.16666666666667 0.00000000000000 0.11933072713857 6.941 > 19 56 Li 0.50000000000000 0.00000000000000 0.11933072713857 6.941 > 19 57 Li 0.83333333333333 0.00000000000000 0.11933072713857 6.941 > 19 58 Li 0.16666666666667 0.33333333333333 0.11933072713857 6.941 > 19 59 Li 0.50000000000000 0.33333333333333 0.11933072713857 6.941 > 19 60 Li 0.83333333333333 0.33333333333333 0.11933072713857 6.941 > 19 61 Li 0.16666666666667 0.66666666666667 0.11933072713857 6.941 > 19 62 Li 0.50000000000000 0.66666666666667 0.11933072713857 6.941 > 19 63 Li 0.83333333333333 0.66666666666667 0.11933072713857 6.941 > 19 64 Li 0.16666666666667 0.00000000000000 0.61933072713857 6.941 > 19 65 Li 0.50000000000000 0.00000000000000 0.61933072713857 6.941 > 19 66 Li 0.83333333333333 0.00000000000000 0.61933072713857 6.941 > 19 67 Li 0.16666666666667 0.33333333333333 0.61933072713857 6.941 > 19 68 Li 0.50000000000000 0.33333333333333 0.61933072713857 6.941 > 19 69 Li 0.83333333333333 0.33333333333333 0.61933072713857 6.941 > 19 70 Li 0.16666666666667 0.66666666666667 0.61933072713857 6.941 > 19 71 Li 0.50000000000000 0.66666666666667 0.61933072713857 6.941 > 19 72 Li 0.83333333333333 0.66666666666667 0.61933072713857 6.941 > 19 73 C 0.16666666666667 0.21035073094169 0.00000000000000 12.011 > 73 74 C 0.50000000000000 0.21035073094169 0.00000000000000 12.011 > 73 75 C 0.83333333333333 0.21035073094169 0.00000000000000 12.011 > 73 76 C 0.16666666666667 0.54368406427502 0.00000000000000 12.011 > 73 77 C 0.50000000000000 0.54368406427502 0.00000000000000 12.011 > 73 78 C 0.83333333333333 0.54368406427502 0.00000000000000 12.011 > 73 79 C 0.16666666666667 0.87701739760836 0.00000000000000 12.011 > 73 80 C 0.50000000000000 0.87701739760836 0.00000000000000 12.011 > 73 81 C 0.83333333333333 0.87701739760836 0.00000000000000 12.011 > 73 82 C 0.16666666666667 0.21035073094169 0.50000000000000 12.011 > 73 83 C 0.50000000000000 0.21035073094169 0.50000000000000 12.011 > 73 84 C 0.83333333333333 0.21035073094169 0.50000000000000 12.011 > 73 85 C 0.16666666666667 0.54368406427502 0.50000000000000 12.011 > 73 86 C 0.50000000000000 0.54368406427502 0.50000000000000 12.011 > 73 87 C 0.83333333333333 0.54368406427502 0.50000000000000 12.011 > 73 88 C 0.16666666666667 0.87701739760836 0.50000000000000 12.011 > 73 89 C 0.50000000000000 0.87701739760836 0.50000000000000 12.011 > 73 90 C 0.83333333333333 0.87701739760836 0.50000000000000 12.011 > 73 91 C 0.16666666666667 0.12298260239164 0.00000000000000 12.011 > 91 92 C 0.50000000000000 0.12298260239164 0.00000000000000 12.011 > 91 93 C 0.83333333333333 0.12298260239164 0.00000000000000 12.011 > 91 94 C 0.16666666666667 0.45631593572498 0.00000000000000 12.011 > 91 95 C 0.50000000000000 0.45631593572498 0.00000000000000 12.011 > 91 96 C 0.83333333333333 0.45631593572498 0.00000000000000 12.011 > 91 97 C 0.16666666666667 0.78964926905831 0.00000000000000 12.011 > 91 98 C 0.50000000000000 0.78964926905831 0.00000000000000 12.011 > 91 99 C 0.83333333333333 0.78964926905831 0.00000000000000 12.011 > 91 100 C 0.16666666666667 0.12298260239164 0.50000000000000 12.011 > 91 101 C 0.50000000000000 0.12298260239164 0.50000000000000 12.011 > 91 102 C 0.83333333333333 0.12298260239164 0.50000000000000 12.011 > 91 103 C 0.16666666666667 0.45631593572498 0.50000000000000 12.011 > 91 104 C 0.50000000000000 0.45631593572498 0.50000000000000 12.011 > 91 105 C 0.83333333333333 0.45631593572498 0.50000000000000 12.011 > 91 106 C 0.16666666666667 0.78964926905831 0.50000000000000 12.011 > 91 107 C 0.50000000000000 0.78964926905831 0.50000000000000 12.011 > 91 108 C 0.83333333333333 0.78964926905831 0.50000000000000 12.011 > 91 109 C 0.00000000000000 0.04368406427502 0.25000000000000 12.011 > 73 110 C 0.33333333333333 0.04368406427502 0.25000000000000 12.011 > 73 111 C 0.66666666666667 0.04368406427502 0.25000000000000 12.011 > 73 112 C 0.00000000000000 0.37701739760836 0.25000000000000 12.011 > 73 113 C 0.33333333333333 0.37701739760836 0.25000000000000 12.011 > 73 114 C 0.66666666666667 0.37701739760836 0.25000000000000 12.011 > 73 115 C 0.00000000000000 0.71035073094169 0.25000000000000 12.011 > 73 116 C 0.33333333333333 0.71035073094169 0.25000000000000 12.011 > 73 117 C 0.66666666666667 0.71035073094169 0.25000000000000 12.011 > 73 118 C 0.00000000000000 0.04368406427502 0.75000000000000 12.011 > 73 119 C 0.33333333333333 0.04368406427502 0.75000000000000 12.011 > 73 120 C 0.66666666666667 0.04368406427502 0.75000000000000 12.011 > 73 121 C 0.00000000000000 0.37701739760836 0.75000000000000 12.011 > 73 122 C 0.33333333333333 0.37701739760836 0.75000000000000 12.011 > 73 123 C 0.66666666666667 0.37701739760836 0.75000000000000 12.011 > 73 124 C 0.00000000000000 0.71035073094169 0.75000000000000 12.011 > 73 125 C 0.33333333333333 0.71035073094169 0.75000000000000 12.011 > 73 126 C 0.66666666666667 0.71035073094169 0.75000000000000 12.011 > 73 127 C 0.00000000000000 0.28964926905831 0.25000000000000 12.011 > 91 128 C 0.33333333333333 0.28964926905831 0.25000000000000 12.011 > 91 129 C 0.66666666666667 0.28964926905831 0.25000000000000 12.011 > 91 130 C 0.00000000000000 0.62298260239164 0.25000000000000 12.011 > 91 131 C 0.33333333333333 0.62298260239164 0.25000000000000 12.011 > 91 132 C 0.66666666666667 0.62298260239164 0.25000000000000 12.011 > 91 133 C 0.00000000000000 0.95631593572498 0.25000000000000 12.011 > 91 134 C 0.33333333333333 0.95631593572498 0.25000000000000 12.011 > 91 135 C 0.66666666666667 0.95631593572498 0.25000000000000 12.011 > 91 136 C 0.00000000000000 0.28964926905831 0.75000000000000 12.011 > 91 137 C 0.33333333333333 0.28964926905831 0.75000000000000 12.011 > 91 138 C 0.66666666666667 0.28964926905831 0.75000000000000 12.011 > 91 139 C 0.00000000000000 0.62298260239164 0.75000000000000 12.011 > 91 140 C 0.33333333333333 0.62298260239164 0.75000000000000 12.011 > 91 141 C 0.66666666666667 0.62298260239164 0.75000000000000 12.011 > 91 142 C 0.00000000000000 0.95631593572498 0.75000000000000 12.011 > 91 143 C 0.33333333333333 0.95631593572498 0.75000000000000 12.011 > 91 144 C 0.66666666666667 0.95631593572498 0.75000000000000 12.011 > 91 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0652616 0.0000000 0.0000000 0.0000000 3.9184431 0.0000000 0.0000000 0.0000000 3.3373468 -------------------------- Born effective charges -------------------------- 1 Li 0.9520132 0.0000000 0.0000000 0.0000000 0.8786959 0.0000000 0.0000000 0.0000000 0.9366849 2 Li 0.9520132 0.0000000 0.0000000 0.0000000 0.8786959 0.0000000 0.0000000 0.0000000 0.9366849 3 C -0.9520132 0.0000000 0.0000000 0.0000000 -0.8786959 0.0000000 0.0000000 0.0000000 -0.9366849 4 C -0.9520132 0.0000000 0.0000000 0.0000000 -0.8786959 0.0000000 0.0000000 0.0000000 -0.9366849 ---------------------------------------------------------------------------- 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 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 18:48:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:48:58]------------------------- Compiled with OpenMP support (max 48 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 2] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Immm (71) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -1.782320480000000 2.401559200000000 2.648687920000000 b 1.782320480000000 -2.401559200000000 2.648687920000000 c 1.782320480000000 2.401559200000000 -2.648687920000000 Atomic positions (fractional): 1 Li 0.76133854572285 0.26133854572285 0.50000000000000 6.941 2 Li 0.23866145427715 0.73866145427715 0.50000000000000 6.941 3 C 0.63105219282507 0.50000000000000 0.13105219282507 12.011 4 C 0.36894780717493 0.50000000000000 0.86894780717493 12.011 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.693922880000001 0.000000000000000 0.000000000000000 b 0.000000000000000 14.409355200000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.594751679999998 Atomic positions (fractional): 1 Li 0.00000000000000 0.16666666666667 0.13066927286143 6.941 > 1 2 Li 0.33333333333333 0.16666666666667 0.13066927286143 6.941 > 1 3 Li 0.66666666666667 0.16666666666667 0.13066927286143 6.941 > 1 4 Li 0.00000000000000 0.50000000000000 0.13066927286143 6.941 > 1 5 Li 0.33333333333333 0.50000000000000 0.13066927286143 6.941 > 1 6 Li 0.66666666666667 0.50000000000000 0.13066927286143 6.941 > 1 7 Li 0.00000000000000 0.83333333333333 0.13066927286143 6.941 > 1 8 Li 0.33333333333333 0.83333333333333 0.13066927286143 6.941 > 1 9 Li 0.66666666666667 0.83333333333333 0.13066927286143 6.941 > 1 10 Li 0.00000000000000 0.16666666666667 0.63066927286143 6.941 > 1 11 Li 0.33333333333333 0.16666666666667 0.63066927286143 6.941 > 1 12 Li 0.66666666666667 0.16666666666667 0.63066927286143 6.941 > 1 13 Li 0.00000000000000 0.50000000000000 0.63066927286143 6.941 > 1 14 Li 0.33333333333333 0.50000000000000 0.63066927286143 6.941 > 1 15 Li 0.66666666666667 0.50000000000000 0.63066927286143 6.941 > 1 16 Li 0.00000000000000 0.83333333333333 0.63066927286143 6.941 > 1 17 Li 0.33333333333333 0.83333333333333 0.63066927286143 6.941 > 1 18 Li 0.66666666666667 0.83333333333333 0.63066927286143 6.941 > 1 19 Li 0.00000000000000 0.16666666666667 0.36933072713857 6.941 > 19 20 Li 0.33333333333333 0.16666666666667 0.36933072713857 6.941 > 19 21 Li 0.66666666666667 0.16666666666667 0.36933072713857 6.941 > 19 22 Li 0.00000000000000 0.50000000000000 0.36933072713857 6.941 > 19 23 Li 0.33333333333333 0.50000000000000 0.36933072713857 6.941 > 19 24 Li 0.66666666666667 0.50000000000000 0.36933072713857 6.941 > 19 25 Li 0.00000000000000 0.83333333333333 0.36933072713857 6.941 > 19 26 Li 0.33333333333333 0.83333333333333 0.36933072713857 6.941 > 19 27 Li 0.66666666666667 0.83333333333333 0.36933072713857 6.941 > 19 28 Li 0.00000000000000 0.16666666666667 0.86933072713857 6.941 > 19 29 Li 0.33333333333333 0.16666666666667 0.86933072713857 6.941 > 19 30 Li 0.66666666666667 0.16666666666667 0.86933072713857 6.941 > 19 31 Li 0.00000000000000 0.50000000000000 0.86933072713857 6.941 > 19 32 Li 0.33333333333333 0.50000000000000 0.86933072713857 6.941 > 19 33 Li 0.66666666666667 0.50000000000000 0.86933072713857 6.941 > 19 34 Li 0.00000000000000 0.83333333333333 0.86933072713857 6.941 > 19 35 Li 0.33333333333333 0.83333333333333 0.86933072713857 6.941 > 19 36 Li 0.66666666666667 0.83333333333333 0.86933072713857 6.941 > 19 37 Li 0.16666666666667 0.00000000000000 0.38066927286143 6.941 > 1 38 Li 0.50000000000000 0.00000000000000 0.38066927286143 6.941 > 1 39 Li 0.83333333333333 0.00000000000000 0.38066927286143 6.941 > 1 40 Li 0.16666666666667 0.33333333333333 0.38066927286143 6.941 > 1 41 Li 0.50000000000000 0.33333333333333 0.38066927286143 6.941 > 1 42 Li 0.83333333333333 0.33333333333333 0.38066927286143 6.941 > 1 43 Li 0.16666666666667 0.66666666666667 0.38066927286143 6.941 > 1 44 Li 0.50000000000000 0.66666666666667 0.38066927286143 6.941 > 1 45 Li 0.83333333333333 0.66666666666667 0.38066927286143 6.941 > 1 46 Li 0.16666666666667 0.00000000000000 0.88066927286143 6.941 > 1 47 Li 0.50000000000000 0.00000000000000 0.88066927286143 6.941 > 1 48 Li 0.83333333333333 0.00000000000000 0.88066927286143 6.941 > 1 49 Li 0.16666666666667 0.33333333333333 0.88066927286143 6.941 > 1 50 Li 0.50000000000000 0.33333333333333 0.88066927286143 6.941 > 1 51 Li 0.83333333333333 0.33333333333333 0.88066927286143 6.941 > 1 52 Li 0.16666666666667 0.66666666666667 0.88066927286143 6.941 > 1 53 Li 0.50000000000000 0.66666666666667 0.88066927286143 6.941 > 1 54 Li 0.83333333333333 0.66666666666667 0.88066927286143 6.941 > 1 55 Li 0.16666666666667 0.00000000000000 0.11933072713857 6.941 > 19 56 Li 0.50000000000000 0.00000000000000 0.11933072713857 6.941 > 19 57 Li 0.83333333333333 0.00000000000000 0.11933072713857 6.941 > 19 58 Li 0.16666666666667 0.33333333333333 0.11933072713857 6.941 > 19 59 Li 0.50000000000000 0.33333333333333 0.11933072713857 6.941 > 19 60 Li 0.83333333333333 0.33333333333333 0.11933072713857 6.941 > 19 61 Li 0.16666666666667 0.66666666666667 0.11933072713857 6.941 > 19 62 Li 0.50000000000000 0.66666666666667 0.11933072713857 6.941 > 19 63 Li 0.83333333333333 0.66666666666667 0.11933072713857 6.941 > 19 64 Li 0.16666666666667 0.00000000000000 0.61933072713857 6.941 > 19 65 Li 0.50000000000000 0.00000000000000 0.61933072713857 6.941 > 19 66 Li 0.83333333333333 0.00000000000000 0.61933072713857 6.941 > 19 67 Li 0.16666666666667 0.33333333333333 0.61933072713857 6.941 > 19 68 Li 0.50000000000000 0.33333333333333 0.61933072713857 6.941 > 19 69 Li 0.83333333333333 0.33333333333333 0.61933072713857 6.941 > 19 70 Li 0.16666666666667 0.66666666666667 0.61933072713857 6.941 > 19 71 Li 0.50000000000000 0.66666666666667 0.61933072713857 6.941 > 19 72 Li 0.83333333333333 0.66666666666667 0.61933072713857 6.941 > 19 73 C 0.16666666666667 0.21035073094169 0.00000000000000 12.011 > 73 74 C 0.50000000000000 0.21035073094169 0.00000000000000 12.011 > 73 75 C 0.83333333333333 0.21035073094169 0.00000000000000 12.011 > 73 76 C 0.16666666666667 0.54368406427502 0.00000000000000 12.011 > 73 77 C 0.50000000000000 0.54368406427502 0.00000000000000 12.011 > 73 78 C 0.83333333333333 0.54368406427502 0.00000000000000 12.011 > 73 79 C 0.16666666666667 0.87701739760836 0.00000000000000 12.011 > 73 80 C 0.50000000000000 0.87701739760836 0.00000000000000 12.011 > 73 81 C 0.83333333333333 0.87701739760836 0.00000000000000 12.011 > 73 82 C 0.16666666666667 0.21035073094169 0.50000000000000 12.011 > 73 83 C 0.50000000000000 0.21035073094169 0.50000000000000 12.011 > 73 84 C 0.83333333333333 0.21035073094169 0.50000000000000 12.011 > 73 85 C 0.16666666666667 0.54368406427502 0.50000000000000 12.011 > 73 86 C 0.50000000000000 0.54368406427502 0.50000000000000 12.011 > 73 87 C 0.83333333333333 0.54368406427502 0.50000000000000 12.011 > 73 88 C 0.16666666666667 0.87701739760836 0.50000000000000 12.011 > 73 89 C 0.50000000000000 0.87701739760836 0.50000000000000 12.011 > 73 90 C 0.83333333333333 0.87701739760836 0.50000000000000 12.011 > 73 91 C 0.16666666666667 0.12298260239164 0.00000000000000 12.011 > 91 92 C 0.50000000000000 0.12298260239164 0.00000000000000 12.011 > 91 93 C 0.83333333333333 0.12298260239164 0.00000000000000 12.011 > 91 94 C 0.16666666666667 0.45631593572498 0.00000000000000 12.011 > 91 95 C 0.50000000000000 0.45631593572498 0.00000000000000 12.011 > 91 96 C 0.83333333333333 0.45631593572498 0.00000000000000 12.011 > 91 97 C 0.16666666666667 0.78964926905831 0.00000000000000 12.011 > 91 98 C 0.50000000000000 0.78964926905831 0.00000000000000 12.011 > 91 99 C 0.83333333333333 0.78964926905831 0.00000000000000 12.011 > 91 100 C 0.16666666666667 0.12298260239164 0.50000000000000 12.011 > 91 101 C 0.50000000000000 0.12298260239164 0.50000000000000 12.011 > 91 102 C 0.83333333333333 0.12298260239164 0.50000000000000 12.011 > 91 103 C 0.16666666666667 0.45631593572498 0.50000000000000 12.011 > 91 104 C 0.50000000000000 0.45631593572498 0.50000000000000 12.011 > 91 105 C 0.83333333333333 0.45631593572498 0.50000000000000 12.011 > 91 106 C 0.16666666666667 0.78964926905831 0.50000000000000 12.011 > 91 107 C 0.50000000000000 0.78964926905831 0.50000000000000 12.011 > 91 108 C 0.83333333333333 0.78964926905831 0.50000000000000 12.011 > 91 109 C 0.00000000000000 0.04368406427502 0.25000000000000 12.011 > 73 110 C 0.33333333333333 0.04368406427502 0.25000000000000 12.011 > 73 111 C 0.66666666666667 0.04368406427502 0.25000000000000 12.011 > 73 112 C 0.00000000000000 0.37701739760836 0.25000000000000 12.011 > 73 113 C 0.33333333333333 0.37701739760836 0.25000000000000 12.011 > 73 114 C 0.66666666666667 0.37701739760836 0.25000000000000 12.011 > 73 115 C 0.00000000000000 0.71035073094169 0.25000000000000 12.011 > 73 116 C 0.33333333333333 0.71035073094169 0.25000000000000 12.011 > 73 117 C 0.66666666666667 0.71035073094169 0.25000000000000 12.011 > 73 118 C 0.00000000000000 0.04368406427502 0.75000000000000 12.011 > 73 119 C 0.33333333333333 0.04368406427502 0.75000000000000 12.011 > 73 120 C 0.66666666666667 0.04368406427502 0.75000000000000 12.011 > 73 121 C 0.00000000000000 0.37701739760836 0.75000000000000 12.011 > 73 122 C 0.33333333333333 0.37701739760836 0.75000000000000 12.011 > 73 123 C 0.66666666666667 0.37701739760836 0.75000000000000 12.011 > 73 124 C 0.00000000000000 0.71035073094169 0.75000000000000 12.011 > 73 125 C 0.33333333333333 0.71035073094169 0.75000000000000 12.011 > 73 126 C 0.66666666666667 0.71035073094169 0.75000000000000 12.011 > 73 127 C 0.00000000000000 0.28964926905831 0.25000000000000 12.011 > 91 128 C 0.33333333333333 0.28964926905831 0.25000000000000 12.011 > 91 129 C 0.66666666666667 0.28964926905831 0.25000000000000 12.011 > 91 130 C 0.00000000000000 0.62298260239164 0.25000000000000 12.011 > 91 131 C 0.33333333333333 0.62298260239164 0.25000000000000 12.011 > 91 132 C 0.66666666666667 0.62298260239164 0.25000000000000 12.011 > 91 133 C 0.00000000000000 0.95631593572498 0.25000000000000 12.011 > 91 134 C 0.33333333333333 0.95631593572498 0.25000000000000 12.011 > 91 135 C 0.66666666666667 0.95631593572498 0.25000000000000 12.011 > 91 136 C 0.00000000000000 0.28964926905831 0.75000000000000 12.011 > 91 137 C 0.33333333333333 0.28964926905831 0.75000000000000 12.011 > 91 138 C 0.66666666666667 0.28964926905831 0.75000000000000 12.011 > 91 139 C 0.00000000000000 0.62298260239164 0.75000000000000 12.011 > 91 140 C 0.33333333333333 0.62298260239164 0.75000000000000 12.011 > 91 141 C 0.66666666666667 0.62298260239164 0.75000000000000 12.011 > 91 142 C 0.00000000000000 0.95631593572498 0.75000000000000 12.011 > 91 143 C 0.33333333333333 0.95631593572498 0.75000000000000 12.011 > 91 144 C 0.66666666666667 0.95631593572498 0.75000000000000 12.011 > 91 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.0652616 0.0000000 0.0000000 0.0000000 3.9184431 0.0000000 0.0000000 0.0000000 3.3373468 -------------------------- Born effective charges -------------------------- 1 Li 0.9520132 0.0000000 0.0000000 0.0000000 0.8786959 0.0000000 0.0000000 0.0000000 0.9366849 2 Li 0.9520132 0.0000000 0.0000000 0.0000000 0.8786959 0.0000000 0.0000000 0.0000000 0.9366849 3 C -0.9520132 0.0000000 0.0000000 0.0000000 -0.8786959 0.0000000 0.0000000 0.0000000 -0.9366849 4 C -0.9520132 0.0000000 0.0000000 0.0000000 -0.8786959 0.0000000 0.0000000 0.0000000 -0.9366849 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... Generalized regular grid: [ 1 2 1260 ] Grid generation matrix: [ 0 14 14 ] [ 10 0 10 ] [ 9 9 0 ] 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: 307, Lambda: 0.23 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/415) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 415 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 8.717 ( 0.000 0.000 0.000) 0.000 9.485 ( 0.000 0.000 0.000) 0.000 10.401 ( 0.000 0.000 0.000) 0.000 11.339 ( 0.000 0.000 0.000) 0.000 11.407 ( 0.000 0.000 0.000) 0.000 12.534 ( 0.000 0.000 0.000) 0.000 13.096 ( 0.000 0.000 0.000) 0.000 14.203 ( 0.000 0.000 0.000) 0.000 56.539 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/415) ======================= q-point: (-0.50 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 355 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.586 ( 0.000 -0.000 -0.000) 0.000 6.884 ( -0.000 0.000 0.000) 0.000 7.847 ( -0.000 0.000 0.000) 0.000 8.751 ( -0.000 0.000 0.000) 0.000 8.768 ( -0.000 0.000 0.000) 0.000 9.827 ( -0.000 0.000 0.000) 0.000 9.976 ( -0.000 0.000 0.000) 0.000 11.129 ( -0.000 -0.000 0.000) 0.000 12.304 ( -0.000 0.000 0.000) 0.000 14.556 ( -0.000 0.000 0.000) 0.000 14.961 ( -0.000 0.000 0.000) 0.000 56.557 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 3 (3/415) ======================= q-point: (-0.30 -0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.564 ( -23.037 -12.428 -27.646) 38.072 5.727 ( -10.009 -15.795 -20.530) 27.770 7.195 ( -6.006 -19.848 -14.639) 25.383 7.955 ( 8.291 -9.062 9.242) 15.371 8.673 ( -6.779 -3.442 5.618) 9.453 10.534 ( -3.530 3.638 -5.989) 7.846 11.100 ( -2.365 -6.324 7.572) 10.145 11.977 ( -2.082 5.802 10.528) 12.200 12.218 ( -6.367 -3.084 7.781) 10.516 13.442 ( 2.584 -2.815 11.029) 11.673 14.661 ( 12.397 22.143 -4.549) 25.782 56.583 ( 0.257 0.408 -0.793) 0.927 ======================= Grid point 4 (4/415) ======================= q-point: ( 0.20 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.443 ( -1.010 11.155 19.351) 22.358 5.924 ( 0.632 53.286 13.979) 55.093 7.010 ( -4.472 -3.864 -7.152) 9.278 8.822 ( 30.742 -5.106 12.565) 33.601 9.429 ( 10.641 -23.252 -5.447) 26.145 10.797 ( -6.433 -13.538 -8.528) 17.245 11.143 ( 6.608 11.832 -0.120) 13.552 11.438 ( 0.683 -0.182 -26.957) 26.966 12.155 ( 6.375 15.117 -13.653) 21.344 13.417 ( -3.329 -1.873 11.937) 12.533 13.943 ( -17.054 -4.024 9.052) 19.722 56.587 ( -0.461 -0.597 0.539) 0.927 ======================= Grid point 5 (5/415) ======================= q-point: ( 0.40 -0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1262 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.683 ( -25.809 22.368 3.418) 34.324 6.022 ( -43.223 17.647 12.816) 48.414 7.941 ( 10.815 0.937 -16.593) 19.828 8.646 ( -5.033 51.379 7.035) 52.102 8.908 ( 0.113 -9.864 -2.476) 10.170 9.730 ( 2.401 -7.229 9.684) 12.321 10.263 ( 5.726 -13.006 15.011) 20.670 11.342 ( -1.620 -13.324 -0.163) 13.423 12.330 ( -0.744 -3.577 3.188) 4.849 14.548 ( 1.493 1.497 -10.729) 10.935 14.980 ( -2.831 -17.183 -11.074) 20.638 56.555 ( 0.096 0.444 0.063) 0.459 ======================= Grid point 6 (6/415) ======================= q-point: (-0.10 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.900 ( 34.797 -16.455 14.297) 41.061 3.076 ( 22.394 -63.006 10.189) 67.639 4.625 ( 60.945 -10.768 20.921) 65.330 8.384 ( -8.868 -0.054 -6.384) 10.927 9.573 ( 2.315 6.420 3.724) 7.775 10.310 ( -0.606 3.802 -0.775) 3.927 11.258 ( -7.013 7.942 12.928) 16.715 12.265 ( -4.688 0.690 -2.582) 5.396 12.570 ( 3.072 35.286 3.328) 35.575 14.142 ( -7.074 -19.716 -10.949) 23.635 15.706 ( -4.970 2.782 -16.894) 17.829 56.546 ( 0.155 0.096 0.365) 0.408 ======================= Grid point 7 (7/415) ======================= q-point: ( 0.10 -0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.424 ( -11.998 50.185 -2.605) 51.665 5.042 ( -17.733 3.060 -1.456) 18.054 7.344 ( 8.395 -3.722 9.009) 12.865 8.843 ( -38.768 -2.069 -23.146) 45.199 9.936 ( -1.855 -14.585 -9.879) 17.713 10.406 ( 3.987 -0.185 -9.416) 10.227 11.390 ( 10.329 -9.216 -19.554) 23.958 11.890 ( 10.884 -5.731 9.759) 15.702 12.061 ( 7.305 8.305 4.995) 12.136 13.432 ( -1.199 6.862 7.927) 10.553 14.122 ( 7.995 2.690 29.578) 30.758 56.576 ( -0.279 -0.277 -0.224) 0.452 ======================= Grid point 8 (8/415) ======================= q-point: (-0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.985 ( 17.958 -21.784 -18.915) 33.982 5.186 ( 6.625 -14.289 -36.403) 39.665 7.556 ( -1.315 -16.010 11.302) 19.641 8.093 ( 2.558 13.672 14.015) 19.745 9.236 ( -2.468 -38.814 -5.185) 39.236 10.269 ( 0.552 2.381 -10.250) 10.537 11.326 ( -3.577 0.763 4.771) 6.012 11.482 ( 0.875 17.982 -18.310) 25.678 12.214 ( 7.025 2.813 4.760) 8.939 13.719 ( 1.222 15.861 -1.589) 15.987 14.495 ( -4.135 2.908 18.361) 19.044 56.573 ( -0.127 -0.301 -0.351) 0.479 ======================= Grid point 9 (9/415) ======================= q-point: (-0.20 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1262 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.178 ( 26.125 -7.673 -3.626) 27.468 5.671 ( 14.552 -67.327 1.262) 68.894 7.445 ( -12.296 6.011 -9.874) 16.877 8.339 ( 37.561 -1.186 21.362) 43.227 9.471 ( 0.509 12.837 6.765) 14.519 10.085 ( -8.765 9.287 9.966) 16.199 10.752 ( -12.415 10.628 19.214) 25.225 11.920 ( -2.291 9.752 -7.796) 12.693 12.191 ( -6.151 -6.278 4.831) 10.029 13.884 ( -1.152 -9.849 -14.540) 17.600 14.741 ( -10.044 -0.833 -23.985) 26.017 56.566 ( 0.436 0.359 0.112) 0.576 ======================= Grid point 10 (10/415) ======================= q-point: ( 0.30 -0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.046 ( -21.224 25.373 21.748) 39.588 3.939 ( -13.840 21.091 45.108) 51.683 6.646 ( -3.562 73.872 6.120) 74.210 8.594 ( 7.844 0.721 -8.078) 11.283 8.856 ( -5.303 -9.476 -7.998) 13.486 10.118 ( -1.103 -4.068 8.929) 9.874 11.425 ( 4.334 -1.539 1.613) 4.874 11.467 ( 1.154 -20.091 17.100) 26.408 12.362 ( -3.814 -2.622 -3.534) 5.823 14.032 ( -5.613 -7.184 -6.759) 11.349 15.031 ( 2.428 -12.590 -15.670) 20.248 56.558 ( 0.080 0.262 0.476) 0.549 ======================= Grid point 11 (11/415) ======================= q-point: (-0.50 0.28 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.238 ( 15.635 -21.898 -5.328) 27.429 6.727 ( 39.253 -18.092 -12.536) 45.003 7.445 ( -11.877 6.289 17.253) 21.870 8.628 ( 5.077 6.604 6.852) 10.786 9.535 ( -4.945 -7.153 -6.861) 11.077 9.872 ( -0.697 -3.547 -7.913) 8.699 10.469 ( -4.048 10.037 -26.425) 28.555 11.210 ( 0.675 -0.490 -5.059) 5.127 12.295 ( 3.425 8.410 -5.776) 10.762 14.098 ( 10.322 14.276 16.246) 23.964 14.511 ( -8.176 -2.772 18.583) 20.491 56.566 ( -0.329 -0.632 0.048) 0.714 ======================= Grid point 12 (12/415) ======================= q-point: (-0.00 -0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.509 ( -21.539 0.000 -20.066) 29.438 3.279 ( -27.998 0.000 -25.872) 38.121 5.160 ( -54.850 0.000 -36.942) 66.131 8.191 ( 8.960 -0.000 11.434) 14.526 9.794 ( -3.908 0.000 -8.956) 9.771 10.293 ( -2.062 0.000 3.570) 4.123 11.595 ( 0.403 0.000 -8.508) 8.518 12.155 ( 4.226 -0.000 5.707) 7.101 13.268 ( -0.213 0.000 -3.260) 3.267 13.380 ( 10.767 -0.000 20.064) 22.771 15.291 ( 9.240 -0.000 21.064) 23.001 56.559 ( -0.042 0.000 -0.727) 0.729 ======================= Grid point 13 (13/415) ======================= q-point: ( 0.20 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1262 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.680 ( 23.700 13.140 29.897) 40.351 4.592 ( 15.843 43.050 25.398) 52.435 5.845 ( 16.351 40.540 37.797) 57.788 8.131 ( -10.011 1.807 -14.130) 17.412 9.139 ( 7.584 -20.316 -7.712) 23.015 10.371 ( 4.090 1.932 7.682) 8.915 11.246 ( 4.545 -0.674 -9.631) 10.671 12.220 ( 2.904 -4.645 -0.555) 5.506 12.365 ( -1.675 -10.256 -0.944) 10.434 13.672 ( -1.723 6.236 -19.249) 20.307 15.056 ( -10.834 -14.165 -5.022) 18.527 56.571 ( -0.140 -0.263 0.941) 0.987 ======================= Grid point 14 (14/415) ======================= q-point: (-0.30 -0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.965 ( 6.469 2.207 -18.257) 19.494 6.631 ( -5.124 2.589 -5.014) 7.622 7.551 ( 5.375 -53.797 -6.767) 54.487 8.694 ( -29.781 20.704 8.673) 37.294 8.945 ( -2.437 5.251 0.605) 5.820 10.302 ( 4.942 6.751 13.900) 16.224 10.783 ( -0.319 -2.914 32.574) 32.705 11.466 ( -5.089 -4.483 -5.272) 8.590 12.173 ( -7.006 -11.857 11.871) 18.182 13.659 ( -3.150 -1.159 -11.859) 12.325 14.136 ( 12.141 7.780 -21.071) 25.533 56.582 ( 0.564 0.746 -0.371) 1.006 ======================= Grid point 15 (15/415) ======================= q-point: (-0.11 -0.01 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 675 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( -0.000 -21.802 -33.457) 39.934 1.707 ( 0.000 -25.635 -55.036) 60.714 2.547 ( -0.000 -92.311 -27.080) 96.201 8.670 ( -0.000 -0.934 4.888) 4.976 9.446 ( 0.000 6.310 -0.767) 6.356 10.275 ( 0.000 6.346 3.006) 7.023 11.356 ( -0.000 -5.575 4.582) 7.216 12.120 ( 0.000 43.199 -38.550) 57.899 12.494 ( 0.000 2.917 0.961) 3.071 14.161 ( -0.000 -1.535 5.689) 5.893 15.790 ( -0.000 2.565 12.312) 12.576 56.543 ( 0.000 -0.007 -0.436) 0.436 ======================= Grid point 16 (16/415) ======================= q-point: ( 0.39 -0.51 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.281 ( -21.994 8.555 13.273) 27.076 6.968 ( 15.569 -8.882 4.809) 18.558 7.993 ( -19.435 9.342 -12.229) 24.790 8.586 ( 7.539 14.789 -1.343) 16.654 8.912 ( 6.162 -6.363 -7.864) 11.845 9.702 ( -4.114 15.477 -3.296) 16.350 9.965 ( 3.741 -2.466 -10.287) 11.220 11.419 ( 0.216 -18.265 -0.648) 18.278 12.279 ( 2.956 5.050 -2.945) 6.551 14.413 ( -0.957 2.851 10.474) 10.897 14.858 ( 7.679 -1.614 11.537) 13.952 56.559 ( -0.275 -0.272 0.042) 0.390 ======================= Grid point 17 (17/415) ======================= q-point: (-0.41 -0.15 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1262 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.210 ( -30.025 -0.223 -13.109) 32.763 5.966 ( 3.604 4.754 3.006) 6.680 7.460 ( -2.042 3.085 -4.211) 5.605 7.780 ( -6.134 3.410 -1.894) 7.269 9.386 ( 3.723 -39.475 -5.337) 40.008 10.407 ( 0.914 6.702 5.804) 8.913 11.209 ( -3.090 -6.679 -1.485) 7.507 11.561 ( -3.859 -1.071 23.411) 23.751 12.181 ( -7.449 -5.840 4.386) 10.432 13.302 ( -0.469 -2.821 7.630) 8.149 14.407 ( 12.608 20.955 -16.222) 29.347 56.586 ( 0.317 0.550 -0.435) 0.770 ======================= Grid point 18 (18/415) ======================= q-point: ( 0.09 0.35 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.374 ( 7.204 48.207 11.424) 50.063 5.023 ( 6.104 4.478 19.088) 20.534 7.294 ( -6.596 -3.526 -9.994) 12.483 8.509 ( 41.753 -1.797 23.557) 47.973 9.965 ( 6.098 -21.459 0.104) 22.309 10.655 ( 1.521 8.444 11.037) 13.979 11.468 ( 1.112 -9.595 -15.240) 18.043 11.892 ( -7.804 -1.746 -14.943) 16.948 12.112 ( 0.839 10.860 -6.043) 12.456 13.325 ( -2.600 -2.138 0.719) 3.442 13.918 ( -18.606 3.769 -8.851) 20.945 56.584 ( -0.206 -0.311 0.600) 0.707 ======================= Grid point 19 (19/415) ======================= q-point: ( 0.29 -0.29 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.187 ( -33.059 20.594 0.000) 38.949 5.527 ( -44.139 18.391 0.000) 47.817 7.139 ( -17.765 70.150 0.000) 72.364 8.215 ( 12.851 -1.735 -0.000) 12.968 9.173 ( 0.630 -11.387 -0.000) 11.404 9.838 ( 3.025 -12.855 -0.000) 13.206 10.389 ( 7.056 -14.400 -0.000) 16.036 11.641 ( -4.990 -14.541 -0.000) 15.374 12.316 ( 2.352 1.250 -0.000) 2.663 14.583 ( 4.709 5.241 -0.000) 7.046 15.461 ( -0.100 -14.483 -0.000) 14.484 56.547 ( -0.124 0.188 0.000) 0.226 ======================= Grid point 20 (20/415) ======================= q-point: (-0.21 0.21 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.069 ( 35.647 -20.314 -0.000) 41.029 4.161 ( 44.160 -28.327 -0.000) 52.464 5.166 ( 29.701 -71.230 -0.000) 77.174 8.450 ( -9.035 0.177 0.000) 9.037 9.383 ( 1.321 9.006 0.000) 9.103 10.153 ( -1.284 11.774 0.000) 11.844 10.844 ( -7.070 14.339 0.000) 15.987 11.862 ( 8.012 22.059 0.000) 23.469 12.353 ( -4.549 -1.733 0.000) 4.868 14.539 ( -3.681 -7.885 -0.000) 8.701 15.742 ( -1.177 11.439 0.000) 11.499 56.541 ( 0.127 -0.069 -0.000) 0.144 ======================= Grid point 21 (21/415) ======================= q-point: (-0.01 -0.44 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 699 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.947 ( -5.796 0.000 -6.053) 8.381 5.113 ( -6.289 0.000 -8.171) 10.311 7.226 ( 4.304 -0.000 6.023) 7.403 9.304 ( -32.141 0.000 -16.753) 36.245 10.400 ( -2.147 0.000 0.554) 2.217 10.498 ( -4.472 0.000 -18.458) 18.992 11.511 ( 11.234 -0.000 26.479) 28.764 11.812 ( 0.991 -0.000 1.945) 2.183 11.919 ( 5.833 -0.000 -6.253) 8.552 13.323 ( 0.567 -0.000 -0.789) 0.971 13.539 ( 11.056 -0.000 15.848) 19.323 56.585 ( 0.032 0.000 -0.314) 0.315 ======================= Grid point 22 (22/415) ======================= q-point: (-0.51 0.06 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.593 ( 19.416 -8.157 -4.010) 21.438 5.942 ( -1.680 -4.616 -13.534) 14.398 7.417 ( -1.869 -1.187 6.298) 6.676 7.650 ( 5.375 3.685 8.288) 10.543 9.922 ( -1.970 -4.378 -0.801) 4.867 10.380 ( -3.735 0.942 -4.530) 5.946 11.255 ( -0.074 0.286 1.626) 1.653 11.482 ( 5.724 6.401 -10.534) 13.591 12.087 ( 6.760 0.773 2.474) 7.240 13.541 ( -1.965 14.764 -13.264) 19.944 14.203 ( -5.818 -12.611 17.525) 22.361 56.583 ( -0.159 -0.238 0.015) 0.287 ======================= Grid point 23 (23/415) ======================= q-point: (-0.31 0.42 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.488 ( 30.853 -12.451 -5.004) 33.645 6.904 ( 21.041 -47.794 4.524) 52.416 7.490 ( -14.998 7.410 -8.290) 18.670 8.157 ( 21.857 -19.231 10.546) 30.964 9.122 ( -1.393 10.326 3.738) 11.069 9.697 ( -7.989 8.592 6.456) 13.391 10.215 ( -8.163 9.418 10.832) 16.513 11.763 ( 1.554 15.846 -2.547) 16.124 12.228 ( -4.389 -6.741 3.867) 8.925 14.323 ( -1.504 -6.189 -9.896) 11.769 15.106 ( -9.920 3.566 -12.716) 16.517 56.558 ( 0.381 0.238 0.025) 0.449 ======================= Grid point 24 (24/415) ======================= q-point: ( 0.19 -0.08 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( -27.340 26.926 17.949) 42.363 2.524 ( -29.163 24.077 40.865) 55.679 4.650 ( -6.227 96.026 9.572) 96.703 8.659 ( 3.795 1.476 -4.018) 5.720 9.282 ( -2.124 -11.279 -3.092) 11.886 10.135 ( -1.578 -8.931 1.238) 9.154 11.333 ( 6.603 -10.731 17.335) 21.431 11.591 ( -5.818 -13.683 5.743) 15.939 12.464 ( 0.305 -1.480 -2.016) 2.519 14.264 ( -9.625 -1.829 -5.962) 11.468 15.605 ( 1.137 -12.325 -12.755) 17.773 56.545 ( 0.053 0.162 0.332) 0.373 ======================= Grid point 25 (25/415) ======================= q-point: (-0.61 0.28 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1262 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.778 ( 3.245 -17.146 -3.864) 17.873 6.579 ( 8.839 5.930 21.900) 24.350 7.705 ( 22.256 -17.936 -15.385) 32.462 8.262 ( 6.875 13.253 11.477) 18.831 9.251 ( -7.029 28.745 0.285) 29.594 10.198 ( -1.067 -8.711 -8.946) 12.532 10.915 ( -2.407 7.318 -32.569) 33.468 11.411 ( 3.722 -1.937 -1.147) 4.350 12.268 ( 5.750 9.994 -11.001) 15.936 13.577 ( 7.684 3.132 12.333) 14.865 14.216 ( -13.628 -9.732 21.258) 27.061 56.577 ( -0.474 -0.711 0.285) 0.900 ======================= Grid point 26 (26/415) ======================= q-point: (-0.11 -0.22 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.622 ( -12.742 -50.032 -20.223) 55.449 3.972 ( -20.085 -12.227 -29.246) 37.527 6.062 ( -41.789 -5.870 -41.073) 58.888 7.920 ( 9.602 0.119 14.234) 17.171 9.712 ( -6.707 19.305 0.318) 20.439 10.355 ( -4.419 -7.757 -4.374) 9.941 11.483 ( -6.704 8.971 7.209) 13.318 12.159 ( -1.567 -10.712 6.594) 12.676 12.623 ( 8.014 19.206 8.966) 22.660 13.486 ( 2.070 -8.158 10.976) 13.832 14.928 ( 17.193 2.158 11.227) 20.647 56.574 ( 0.131 0.236 -0.952) 0.990 ======================= Grid point 27 (27/415) ======================= q-point: ( 0.09 0.13 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.782 ( 24.817 17.409 28.650) 41.711 2.990 ( 19.162 56.191 21.185) 63.035 4.293 ( 39.442 16.761 48.534) 64.747 8.363 ( -7.238 1.080 -10.728) 12.986 9.575 ( 4.608 -11.743 2.024) 12.776 10.261 ( 2.349 0.321 -1.755) 2.950 11.456 ( 5.187 -4.871 -2.235) 7.458 12.264 ( -0.986 1.616 -4.134) 4.547 12.706 ( -2.908 -31.757 9.089) 33.160 13.902 ( -2.113 14.482 -20.055) 24.827 15.439 ( -7.663 -4.515 -12.899) 15.668 56.557 ( -0.019 -0.144 0.813) 0.825 ======================= Grid point 28 (28/415) ======================= q-point: ( 0.59 -0.37 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.938 ( -11.249 18.032 -5.181) 21.876 6.983 ( 11.467 -7.918 -18.969) 23.538 7.913 ( -29.158 21.517 15.025) 39.229 8.571 ( -4.477 -15.219 -6.312) 17.074 9.005 ( 10.182 -21.740 6.866) 24.969 9.973 ( 0.908 0.275 10.134) 10.178 10.258 ( 0.552 -6.370 24.993) 25.798 11.413 ( -1.658 12.317 2.623) 12.702 12.197 ( -5.341 -9.453 6.121) 12.464 14.038 ( -8.848 -9.600 -14.044) 19.175 14.440 ( 7.437 5.287 -19.309) 21.357 56.572 ( 0.477 0.711 -0.178) 0.875 ======================= Grid point 29 (29/415) ======================= q-point: (-0.21 -0.01 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 683 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.300 ( -0.000 -21.379 -31.611) 38.162 3.347 ( 0.000 -23.230 -51.897) 56.859 4.915 ( -0.000 -83.253 -22.477) 86.234 8.581 ( -0.000 -4.131 7.730) 8.764 9.138 ( 0.000 17.372 7.752) 19.023 10.169 ( 0.000 2.328 -3.576) 4.267 11.353 ( -0.000 -6.899 8.419) 10.885 12.013 ( 0.000 25.284 -19.554) 31.963 12.370 ( 0.000 4.073 3.756) 5.540 14.025 ( -0.000 -2.107 10.699) 10.905 15.367 ( 0.000 15.577 8.580) 17.783 56.556 ( 0.000 -0.002 -0.717) 0.717 ======================= Grid point 30 (30/415) ======================= q-point: ( 0.29 -0.51 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.819 ( -21.324 6.755 13.983) 26.379 7.022 ( 10.923 -8.367 7.500) 15.670 7.303 ( -11.228 59.626 -0.590) 60.677 8.727 ( -7.636 -10.507 -10.356) 16.612 9.345 ( 0.277 -10.012 -15.930) 18.817 9.701 ( 2.441 -1.912 -7.777) 8.372 10.370 ( 7.847 -5.235 -20.355) 22.435 11.694 ( 0.910 -9.494 4.421) 10.512 12.241 ( 5.779 8.340 -7.108) 12.388 14.032 ( -0.645 5.108 16.600) 17.380 14.544 ( 8.342 -1.478 21.244) 22.871 56.566 ( -0.439 -0.468 0.064) 0.645 ======================= Grid point 31 (31/415) ======================= q-point: ( 0.49 -0.15 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.880 ( -21.969 22.777 12.927) 34.184 5.667 ( -15.809 10.558 17.583) 25.896 7.503 ( 7.055 -2.784 -12.085) 14.267 8.083 ( -8.206 -3.478 -15.334) 17.736 9.815 ( 3.840 13.440 4.048) 14.552 10.158 ( 3.099 -4.655 8.866) 10.482 11.142 ( -2.195 -10.865 24.767) 27.134 11.291 ( 1.559 -1.127 1.581) 2.490 12.253 ( -6.222 -7.968 3.365) 10.655 13.400 ( -7.513 -16.705 -1.188) 18.356 14.483 ( 9.567 11.323 -21.641) 26.231 56.579 ( 0.285 0.623 -0.038) 0.687 ======================= Grid point 32 (32/415) ======================= q-point: (-0.01 0.35 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.570 ( 14.740 -0.000 9.994) 17.808 4.641 ( 18.461 -0.000 12.976) 22.565 7.553 ( -8.922 0.000 -11.267) 14.371 7.962 ( 48.602 -0.000 28.637) 56.411 10.136 ( 0.459 -0.000 14.149) 14.157 10.357 ( 2.216 -0.000 0.089) 2.218 11.706 ( -5.227 0.000 12.761) 13.790 11.902 ( -3.971 0.000 -1.895) 4.400 12.399 ( -14.814 0.000 -23.139) 27.475 13.314 ( 0.347 -0.000 0.390) 0.521 14.292 ( -12.401 0.000 -28.305) 30.903 56.575 ( 0.097 -0.000 0.525) 0.534 ======================= Grid point 33 (33/415) ======================= q-point: ( 0.19 -0.30 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1262 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.887 ( -34.056 14.710 -7.546) 37.857 4.891 ( -22.717 60.114 -5.457) 64.494 6.113 ( -47.496 27.430 -13.962) 56.596 8.168 ( 11.767 -1.234 7.042) 13.768 9.411 ( -0.437 -11.488 -1.249) 11.564 10.141 ( 2.752 -9.295 -3.849) 10.430 10.854 ( 9.810 -13.419 -14.606) 22.128 11.973 ( -5.485 -21.286 3.216) 22.215 12.298 ( 4.634 3.320 -3.742) 6.819 14.316 ( 5.832 10.261 10.593) 15.860 15.515 ( 5.425 -5.356 14.884) 16.723 56.548 ( -0.234 -0.069 -0.231) 0.336 ======================= Grid point 34 (34/415) ======================= q-point: (-0.31 0.20 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.669 ( 27.177 -23.694 -10.606) 37.583 4.733 ( 48.809 -17.286 -15.684) 54.103 6.866 ( 12.201 -76.936 -2.516) 77.938 8.378 ( -10.574 -0.144 6.077) 12.196 9.129 ( 1.812 12.440 3.438) 13.032 9.960 ( -0.723 10.396 -7.412) 12.788 10.718 ( -7.694 16.752 -17.402) 25.351 11.528 ( 3.617 10.258 1.998) 11.059 12.389 ( -1.266 1.528 -2.894) 3.509 14.521 ( 0.512 -2.252 10.827) 11.070 15.293 ( 1.806 16.771 12.165) 20.797 56.548 ( -0.015 -0.290 -0.199) 0.352 ======================= Grid point 35 (35/415) ======================= q-point: (-0.11 -0.44 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.641 ( 1.074 -47.081 -7.749) 47.727 5.376 ( 5.793 -2.572 -14.366) 15.702 7.088 ( 0.182 4.752 2.361) 5.309 9.472 ( -18.220 7.133 -5.259) 20.261 10.105 ( -10.373 17.607 1.869) 20.521 10.871 ( 12.366 10.953 15.830) 22.879 11.026 ( -8.644 -12.088 -6.653) 16.282 11.540 ( -3.897 5.118 20.984) 21.948 11.955 ( -5.168 -14.407 11.837) 19.349 13.363 ( 4.180 1.088 -9.286) 10.241 13.650 ( 11.557 -2.935 -14.130) 18.489 56.588 ( 0.365 0.347 -0.339) 0.607 ======================= Grid point 36 (36/415) ======================= q-point: ( 0.39 0.06 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.378 ( 18.434 11.843 17.757) 28.203 5.831 ( 0.886 6.715 22.435) 23.435 7.376 ( -0.468 4.421 -3.980) 5.967 7.825 ( 3.138 -12.821 -10.991) 17.177 9.337 ( -2.286 42.649 4.844) 42.984 10.432 ( 0.176 -2.243 4.435) 4.973 11.211 ( -0.914 4.370 -4.682) 6.470 11.721 ( 4.089 -12.650 0.539) 13.306 12.100 ( 6.236 -0.649 -3.910) 7.389 13.616 ( -2.391 6.893 -13.760) 15.575 14.334 ( -5.643 -22.846 5.977) 24.280 56.582 ( -0.149 -0.123 0.445) 0.485 ======================= Grid point 37 (37/415) ======================= q-point: (-0.41 0.41 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 710 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.848 ( 30.317 -15.398 -0.000) 34.003 7.358 ( 28.919 -12.690 -0.000) 31.581 7.447 ( -20.693 7.981 0.000) 22.179 8.689 ( -2.223 -26.866 -0.000) 26.958 8.881 ( -2.301 7.971 0.000) 8.296 9.609 ( 2.017 -10.511 -0.000) 10.702 9.933 ( -3.837 6.533 0.000) 7.577 11.408 ( 0.918 19.057 0.000) 19.079 12.290 ( -1.333 -2.521 -0.000) 2.851 14.531 ( -1.700 -3.583 -0.000) 3.966 15.113 ( -4.630 8.244 0.000) 9.455 56.555 ( 0.155 -0.001 -0.000) 0.155 ======================= Grid point 38 (38/415) ======================= q-point: ( 0.09 -0.09 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( -31.303 27.548 0.000) 41.698 1.586 ( -59.312 18.266 0.000) 62.061 2.429 ( -14.978 100.571 0.000) 101.680 8.690 ( 3.092 0.337 -0.000) 3.110 9.452 ( -1.440 -4.611 -0.000) 4.831 10.342 ( -0.983 -6.685 -0.000) 6.757 11.291 ( 2.541 -8.558 -0.000) 8.927 11.950 ( -29.883 -41.456 0.000) 51.103 12.503 ( 2.696 -0.121 -0.000) 2.698 14.332 ( -7.529 2.914 0.000) 8.073 15.999 ( 0.533 -8.585 -0.000) 8.602 56.539 ( 0.020 0.035 -0.000) 0.041 ======================= Grid point 39 (39/415) ======================= q-point: ( 0.28 0.27 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.629 ( -1.241 6.877 24.418) 25.398 6.408 ( 13.037 2.175 -1.237) 13.275 7.508 ( -4.559 32.749 5.427) 33.507 8.156 ( 26.549 0.274 3.410) 26.769 8.877 ( 5.562 -6.434 -0.955) 8.559 10.595 ( -1.494 -12.362 -6.537) 14.063 11.239 ( 6.046 9.420 1.385) 11.279 11.495 ( -2.017 3.644 -28.572) 28.874 12.300 ( 7.750 12.027 -12.962) 19.306 13.394 ( 0.021 -3.596 9.496) 10.154 14.121 ( -18.007 -13.084 9.161) 24.070 56.583 ( -0.461 -0.653 0.556) 0.974 ======================= Grid point 40 (40/415) ======================= q-point: (-0.22 -0.23 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.705 ( -13.757 -11.072 -30.189) 34.974 5.293 ( -12.530 -51.266 -17.100) 55.476 7.048 ( -25.613 -12.749 -32.662) 43.421 7.599 ( 10.785 0.028 14.490) 18.063 9.158 ( -10.040 21.947 7.327) 25.222 10.655 ( -4.785 -2.776 -10.035) 11.458 11.121 ( -6.349 1.928 13.340) 14.899 12.073 ( 2.140 4.234 20.583) 21.122 12.191 ( -4.978 -10.365 12.948) 17.317 13.392 ( 2.579 1.967 0.811) 3.343 14.686 ( 19.563 10.606 0.062) 22.254 56.587 ( 0.318 0.491 -0.942) 1.109 ======================= Grid point 41 (41/415) ======================= q-point: (-0.02 0.13 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 699 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( 27.764 -0.000 19.219) 33.767 2.085 ( 35.031 -0.000 27.124) 44.304 3.252 ( 62.651 -0.000 31.288) 70.029 8.532 ( -6.162 0.000 -6.059) 8.642 9.586 ( 2.831 -0.000 4.246) 5.103 10.350 ( -0.043 0.000 -3.234) 3.234 11.437 ( -2.330 -0.000 8.331) 8.651 12.360 ( -4.740 0.000 -4.724) 6.692 13.181 ( 1.367 -0.000 3.240) 3.516 13.907 ( -8.140 0.000 -11.393) 14.003 15.809 ( -1.916 0.000 -17.736) 17.839 56.545 ( 0.064 -0.000 0.449) 0.454 ======================= Grid point 42 (42/415) ======================= q-point: ( 0.48 -0.37 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.618 ( -23.229 19.793 -2.830) 30.649 7.176 ( -32.273 18.706 11.845) 39.138 7.537 ( 16.754 -7.232 -15.067) 23.665 8.750 ( -0.552 -4.541 -1.153) 4.717 9.187 ( 9.048 -4.875 10.926) 15.001 9.823 ( -4.403 8.211 1.450) 9.429 9.994 ( 0.856 -4.371 13.127) 13.862 11.138 ( -0.589 -1.560 2.577) 3.069 12.271 ( -2.826 -5.622 2.733) 6.860 14.516 ( -0.508 -4.064 -10.466) 11.239 14.741 ( -1.483 -8.262 -10.473) 13.422 56.561 ( 0.247 0.527 -0.036) 0.583 ======================= Grid point 43 (43/415) ======================= q-point: (-0.32 -0.02 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 675 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.356 ( -0.000 -19.376 -27.564) 33.693 4.795 ( 0.000 -17.428 -44.119) 47.437 6.793 ( -0.000 -54.749 -11.359) 55.915 8.476 ( 0.000 21.329 14.079) 25.556 8.612 ( -0.000 -19.322 6.236) 20.304 10.285 ( 0.000 0.435 -8.304) 8.315 11.293 ( -0.000 -6.348 10.034) 11.874 11.886 ( 0.000 18.562 -11.287) 21.725 12.186 ( -0.000 3.229 5.770) 6.612 13.821 ( -0.000 -3.172 13.168) 13.545 14.842 ( 0.000 22.514 2.408) 22.643 56.572 ( 0.000 0.031 -0.733) 0.733 ======================= Grid point 44 (44/415) ======================= q-point: ( 0.18 -0.52 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.449 ( -14.687 4.961 9.419) 18.139 5.904 ( -9.373 66.290 2.515) 66.996 7.060 ( 7.458 -7.928 6.015) 12.436 9.206 ( -9.056 -13.459 -9.579) 18.839 9.871 ( -17.851 -6.079 -14.017) 23.497 10.063 ( 15.476 -14.176 -11.879) 24.116 10.999 ( 9.740 -6.167 -26.652) 29.038 11.615 ( 5.498 -1.055 12.575) 13.765 12.192 ( 6.603 13.052 -7.836) 16.593 13.584 ( -2.290 3.918 15.074) 15.742 14.049 ( 3.918 0.973 25.393) 25.712 56.575 ( -0.406 -0.499 0.056) 0.646 ======================= Grid point 45 (45/415) ======================= q-point: ( 0.38 -0.16 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1262 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.038 ( -20.778 26.538 15.598) 37.139 4.797 ( -29.492 20.073 29.886) 46.539 7.797 ( 1.659 20.816 -14.621) 25.491 8.429 ( -2.838 -1.274 -11.535) 11.947 9.047 ( 3.289 27.109 6.531) 28.078 10.033 ( 0.024 -5.299 12.595) 13.665 10.944 ( 3.472 -19.084 25.958) 32.405 11.345 ( 3.891 -3.462 -2.753) 5.891 12.345 ( -3.222 -6.648 2.759) 7.886 13.943 ( -13.116 -18.775 -9.582) 24.826 14.798 ( 6.419 -1.009 -18.455) 19.565 56.564 ( 0.187 0.567 0.209) 0.632 ======================= Grid point 46 (46/415) ======================= q-point: (-0.12 0.34 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.027 ( 18.698 -54.239 5.218) 57.608 4.489 ( 28.423 -5.391 6.755) 29.708 7.389 ( 50.547 -1.876 25.704) 56.738 7.768 ( -11.075 1.715 -10.737) 15.520 9.743 ( -0.500 10.534 8.204) 13.361 10.310 ( -2.069 2.382 5.261) 6.134 11.221 ( -11.212 9.560 17.719) 23.045 12.025 ( -6.694 -7.664 2.225) 10.416 12.482 ( -5.578 23.340 -9.854) 25.942 13.645 ( -2.868 -17.636 -11.506) 21.252 14.916 ( -10.277 -1.541 -26.316) 28.294 56.564 ( 0.330 0.197 0.349) 0.519 ======================= Grid point 47 (47/415) ======================= q-point: ( 0.08 -0.30 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.643 ( -19.692 56.029 -9.635) 60.165 3.931 ( -26.931 9.772 -16.353) 32.988 6.325 ( -54.658 4.574 -28.999) 62.043 7.989 ( 10.775 -0.811 11.544) 15.812 9.727 ( -2.057 -11.237 -6.264) 13.028 10.327 ( -0.260 -0.635 -3.153) 3.227 11.409 ( 7.226 -8.567 -14.133) 18.038 12.143 ( 5.006 5.168 -0.463) 7.210 12.573 ( 3.757 -28.301 3.957) 28.823 13.725 ( 4.920 18.500 14.665) 24.115 15.113 ( 9.198 0.700 25.220) 26.854 56.559 ( -0.159 -0.166 -0.536) 0.583 ======================= Grid point 48 (48/415) ======================= q-point: (-0.42 0.20 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.424 ( 18.439 -23.350 -14.048) 32.902 5.528 ( 41.121 -17.678 -22.303) 50.009 7.727 ( -5.565 -6.052 16.874) 18.770 8.523 ( 6.729 -14.846 7.283) 17.853 8.977 ( -3.578 -21.597 -5.051) 22.467 10.021 ( -1.345 6.642 -12.688) 14.385 10.845 ( -6.336 15.662 -26.591) 31.504 11.310 ( 0.273 6.902 1.142) 7.001 12.396 ( 1.966 5.811 -4.871) 7.833 14.170 ( 7.993 9.166 16.685) 20.647 14.679 ( -4.355 7.353 18.258) 20.159 56.560 ( -0.193 -0.456 -0.182) 0.527 ======================= Grid point 49 (49/415) ======================= q-point: (-0.22 -0.45 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1262 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.705 ( 10.290 -10.703 -16.147) 21.935 6.089 ( 9.146 -56.695 -9.305) 58.177 6.942 ( -4.187 7.700 -1.291) 8.860 9.247 ( -3.376 13.567 4.090) 14.567 9.656 ( -22.420 18.616 6.265) 29.807 10.247 ( 14.986 6.678 20.011) 25.877 10.835 ( -6.379 2.396 30.105) 30.866 11.481 ( -7.640 -4.633 -11.115) 14.261 12.048 ( -7.651 -14.201 9.678) 18.812 13.621 ( 1.067 -4.276 -11.331) 12.158 14.066 ( 6.089 3.135 -23.603) 24.577 56.585 ( 0.579 0.606 -0.287) 0.886 ======================= Grid point 51 (50/415) ======================= q-point: ( 0.28 0.05 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.559 ( 18.726 18.790 26.426) 37.444 4.870 ( 7.909 17.019 41.610) 45.646 6.824 ( 3.208 53.874 11.080) 55.095 8.370 ( -8.088 -5.370 -12.418) 15.763 8.695 ( 5.778 2.954 -7.600) 9.994 10.307 ( 2.026 -1.054 8.792) 9.084 11.274 ( -1.329 4.504 -8.926) 10.086 11.893 ( -0.050 -19.606 13.903) 24.036 12.245 ( 5.618 -0.754 -7.061) 9.055 13.812 ( -0.872 3.472 -14.862) 15.287 14.800 ( -3.938 -21.644 -3.962) 22.354 56.571 ( -0.102 -0.040 0.716) 0.725 ======================= Grid point 52 (51/415) ======================= q-point: (-0.52 0.41 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.080 ( 22.174 -15.209 8.604) 28.232 7.136 ( -19.239 8.773 9.917) 23.355 7.770 ( 22.654 -13.287 -12.997) 29.303 8.761 ( 0.716 0.918 -0.354) 1.217 8.983 ( -10.638 8.925 -9.490) 16.819 9.887 ( 1.625 -1.603 -2.568) 3.436 9.998 ( 1.114 -1.805 -8.990) 9.237 11.151 ( 0.568 1.030 -2.796) 3.033 12.316 ( 1.583 2.859 -2.678) 4.225 14.469 ( -2.752 -1.317 10.904) 11.322 14.807 ( 3.097 8.076 11.139) 14.103 56.558 ( -0.132 -0.266 0.041) 0.300 ======================= Grid point 53 (52/415) ======================= q-point: (-0.02 -0.09 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( -20.842 0.000 -30.895) 37.268 1.401 ( -33.911 0.000 -32.872) 47.229 2.125 ( -44.681 0.000 -56.929) 72.370 8.627 ( 3.224 -0.000 5.602) 6.464 9.536 ( -1.994 0.000 -3.162) 3.738 10.349 ( -0.085 -0.000 4.494) 4.495 11.415 ( -5.338 0.000 1.130) 5.457 12.430 ( 2.302 -0.000 6.398) 6.799 13.163 ( -0.529 0.000 -4.678) 4.708 14.031 ( 3.924 -0.000 12.252) 12.865 15.797 ( -3.349 -0.000 12.682) 13.117 56.544 ( -0.018 0.000 -0.491) 0.491 ======================= Grid point 54 (53/415) ======================= q-point: ( 0.18 0.27 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1262 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.918 ( 8.467 10.893 24.039) 27.716 5.518 ( 9.365 56.689 14.362) 59.225 7.383 ( -9.669 -1.551 -13.487) 16.667 7.701 ( 37.072 4.465 26.261) 45.650 9.346 ( 8.619 -22.346 -4.733) 24.414 10.721 ( 1.441 -0.223 11.174) 11.268 11.240 ( 5.435 -3.314 -12.255) 13.810 11.967 ( -7.224 -5.183 -14.133) 16.697 12.307 ( 5.174 12.272 -10.421) 16.911 13.337 ( -2.961 -2.033 -0.831) 3.686 14.301 ( -18.342 -4.944 -6.402) 20.047 56.581 ( -0.297 -0.476 0.739) 0.928 ======================= Grid point 55 (54/415) ======================= q-point: (-0.32 -0.23 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.550 ( -11.881 -9.376 -29.510) 33.165 6.122 ( -12.380 -1.636 0.757) 12.511 7.565 ( -0.974 -8.389 -8.150) 11.736 7.794 ( -7.073 -13.852 -0.131) 15.554 8.755 ( -6.442 -4.675 -0.662) 7.987 10.587 ( -2.011 9.328 7.742) 12.288 11.120 ( -5.708 -10.312 -1.874) 11.935 11.520 ( 0.259 -4.687 31.326) 31.676 12.144 ( -7.510 -11.330 12.322) 18.347 13.378 ( -1.217 4.904 -4.613) 6.842 14.496 ( 18.750 16.911 -10.904) 27.504 56.592 ( 0.450 0.715 -0.703) 1.099 ======================= Grid point 56 (55/415) ======================= q-point: (-0.12 0.12 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( 38.926 -16.952 -0.000) 42.457 2.503 ( 26.920 -65.507 -0.000) 70.822 3.136 ( 58.384 -33.628 -0.000) 67.376 8.598 ( -5.980 -0.169 0.000) 5.983 9.490 ( 2.164 4.724 0.000) 5.196 10.344 ( -0.578 4.753 0.000) 4.788 11.216 ( -4.885 8.857 0.000) 10.115 12.344 ( 12.366 45.527 0.000) 47.176 12.424 ( -5.124 -0.964 0.000) 5.214 14.376 ( -2.850 -14.192 -0.000) 14.476 15.974 ( -2.239 7.086 0.000) 7.432 56.539 ( 0.078 0.038 -0.000) 0.087 ======================= Grid point 57 (56/415) ======================= q-point: ( 0.38 -0.38 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.239 ( -30.233 19.197 0.000) 35.813 6.694 ( -37.101 15.128 0.000) 40.066 7.838 ( 18.140 -5.178 -0.000) 18.865 8.654 ( -5.042 45.053 0.000) 45.335 8.920 ( 1.587 -9.499 -0.000) 9.630 9.597 ( 0.581 -0.645 -0.000) 0.868 10.014 ( 4.182 -9.898 -0.000) 10.745 11.379 ( -1.804 -17.354 -0.000) 17.448 12.303 ( 0.070 -0.393 -0.000) 0.399 14.591 ( 4.053 4.158 -0.000) 5.806 15.153 ( -0.751 -15.140 -0.000) 15.159 56.553 ( -0.027 0.258 0.000) 0.259 ======================= Grid point 58 (57/415) ======================= q-point: (-0.42 -0.02 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 683 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.183 ( -0.000 -11.411 -17.467) 20.864 5.825 ( 0.000 -7.956 -25.109) 26.340 7.381 ( -0.000 -5.895 5.036) 7.753 7.794 ( 0.000 14.966 10.910) 18.520 9.361 ( -0.000 -43.374 -4.746) 43.633 10.429 ( 0.000 0.490 -4.747) 4.773 11.227 ( -0.000 -4.747 6.252) 7.850 11.671 ( 0.000 13.315 0.816) 13.340 12.036 ( 0.000 2.062 2.317) 3.102 13.640 ( -0.000 -7.250 13.932) 15.706 14.392 ( 0.000 23.342 -7.191) 24.425 56.583 ( 0.000 0.120 -0.458) 0.473 ======================= Grid point 59 (58/415) ======================= q-point: ( 0.08 -0.52 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.596 ( -3.413 48.795 1.243) 48.930 5.256 ( -6.005 1.836 3.558) 7.218 7.110 ( 2.326 -4.788 2.086) 5.717 9.611 ( -4.591 -9.233 -4.391) 11.207 10.231 ( -2.589 -11.606 -3.500) 12.396 10.646 ( -5.136 -7.745 -19.271) 21.394 11.232 ( 11.388 4.114 19.461) 22.921 11.620 ( 4.302 -6.338 -13.987) 15.947 12.047 ( 3.899 14.244 -7.811) 16.706 13.288 ( -2.343 -2.687 10.936) 11.503 13.537 ( -0.250 6.448 12.107) 13.719 56.583 ( -0.169 -0.322 0.023) 0.365 ======================= Grid point 60 (59/415) ======================= q-point: ( 0.28 -0.17 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.162 ( -23.561 28.079 13.434) 39.039 3.770 ( -44.923 21.249 22.350) 54.490 6.670 ( -7.592 82.563 2.500) 82.949 8.565 ( 8.064 0.821 -4.549) 9.295 9.082 ( -2.832 -12.139 -5.074) 13.458 9.961 ( -0.440 -9.621 6.905) 11.851 10.857 ( 5.912 -18.721 19.410) 27.607 11.491 ( 0.257 -4.955 -2.476) 5.545 12.405 ( 0.298 -3.560 1.575) 3.904 14.404 ( -11.109 -5.668 -8.560) 15.127 15.289 ( 1.748 -14.133 -11.682) 18.419 56.549 ( 0.086 0.395 0.219) 0.460 ======================= Grid point 61 (60/415) ======================= q-point: (-0.22 0.33 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.577 ( 34.493 -11.634 1.880) 36.450 5.293 ( 18.425 -66.798 2.753) 69.347 7.072 ( 46.458 -11.528 13.826) 49.824 7.916 ( -13.165 2.453 -6.965) 15.094 9.399 ( -1.596 11.385 2.617) 11.791 10.059 ( -5.516 10.045 5.024) 12.513 10.649 ( -10.554 12.838 12.597) 20.854 12.049 ( 1.455 13.963 -4.403) 14.713 12.205 ( -4.288 -0.686 4.112) 5.980 14.207 ( -4.721 -11.569 -9.569) 15.739 15.361 ( -9.743 1.646 -14.429) 17.488 56.554 ( 0.397 0.182 0.145) 0.460 ======================= Grid point 62 (61/415) ======================= q-point: (-0.02 -0.31 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 699 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.271 ( -14.852 0.000 -17.360) 22.846 4.270 ( -18.706 0.000 -23.382) 29.944 6.962 ( -50.115 0.000 -33.746) 60.417 7.737 ( 9.305 -0.000 13.062) 16.038 10.097 ( -3.502 0.000 -12.218) 12.710 10.290 ( -4.299 0.000 2.956) 5.217 11.739 ( -2.084 0.000 -2.299) 3.103 11.966 ( 2.412 -0.000 5.780) 6.263 12.674 ( 12.326 -0.000 23.691) 26.705 13.323 ( 1.121 -0.000 -2.888) 3.098 14.582 ( 16.429 -0.000 20.661) 26.397 56.575 ( 0.055 0.000 -0.782) 0.784 ======================= Grid point 63 (62/415) ======================= q-point: (-0.52 0.19 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.216 ( 11.607 -21.898 -15.996) 29.497 6.153 ( 30.504 -6.443 -2.367) 31.267 7.375 ( -4.862 0.674 5.133) 7.102 8.257 ( 9.153 5.472 13.576) 17.264 9.732 ( -4.360 -12.447 -4.048) 13.795 10.089 ( -3.772 4.485 -6.665) 8.875 11.157 ( -1.555 11.343 -29.751) 31.878 11.284 ( 1.398 -2.360 -3.164) 4.187 12.364 ( 4.851 8.472 -6.839) 11.920 13.567 ( 8.562 13.250 11.636) 19.603 14.272 ( -10.957 -8.075 22.224) 26.061 56.572 ( -0.345 -0.532 0.037) 0.635 ======================= Grid point 64 (63/415) ======================= q-point: (-0.32 0.55 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.186 ( 13.565 -0.444 -19.508) 23.765 6.824 ( -6.574 6.029 -4.269) 9.890 7.518 ( 9.680 -59.648 -3.271) 60.517 8.783 ( -2.207 18.778 9.746) 21.272 9.093 ( -18.375 13.767 9.504) 24.850 9.840 ( 9.828 -2.603 14.885) 18.026 10.236 ( -5.435 1.165 21.763) 22.462 11.653 ( -3.079 6.191 -4.412) 8.202 12.113 ( -6.862 -10.418 7.271) 14.439 14.008 ( -4.144 -7.518 -13.173) 15.724 14.454 ( 0.732 4.407 -20.153) 20.642 56.576 ( 0.589 0.670 -0.183) 0.911 ======================= Grid point 65 (64/415) ======================= q-point: ( 0.18 0.05 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.573 ( 23.896 19.692 28.167) 41.859 3.497 ( 15.577 23.111 47.117) 54.743 4.976 ( 6.300 80.970 22.522) 84.280 8.528 ( -5.070 3.088 -8.564) 10.420 9.179 ( 3.704 -16.901 -6.799) 18.590 10.190 ( 1.848 -2.606 3.944) 5.076 11.362 ( 0.858 3.436 -6.749) 7.622 11.997 ( -1.656 -26.272 20.673) 33.471 12.395 ( 2.017 -2.064 -4.050) 4.973 14.058 ( 2.729 3.151 -14.134) 14.736 15.337 ( -2.789 -14.523 -10.135) 17.928 56.555 ( -0.050 -0.012 0.711) 0.712 ======================= Grid point 66 (65/415) ======================= q-point: (-0.63 0.40 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1262 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.093 ( 1.740 -9.095 16.045) 18.526 6.787 ( -5.103 2.709 8.142) 9.984 8.386 ( 15.750 -15.522 -12.181) 25.247 8.578 ( -7.617 34.165 -0.235) 35.005 8.914 ( 6.113 -1.246 -8.230) 10.327 9.917 ( -4.988 3.952 -7.297) 9.682 10.258 ( 0.844 3.406 -23.034) 23.300 11.441 ( 1.009 -13.167 -2.828) 13.505 12.296 ( 4.446 6.941 -5.956) 10.169 14.128 ( -0.365 3.402 18.045) 18.367 14.394 ( 3.528 -0.147 19.549) 19.865 56.564 ( -0.365 -0.491 0.124) 0.624 ======================= Grid point 67 (66/415) ======================= q-point: (-0.13 -0.10 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.245 ( -25.870 -11.329 -33.981) 44.185 2.690 ( -10.237 -59.415 -27.525) 66.276 3.724 ( -17.390 -28.664 -60.127) 68.842 8.477 ( 4.004 -1.805 9.875) 10.807 9.492 ( -3.376 12.000 -0.180) 12.467 10.218 ( -1.811 0.083 3.364) 3.821 11.311 ( -8.019 -1.140 8.032) 11.407 12.269 ( -0.274 0.022 7.293) 7.299 12.754 ( 1.732 31.881 -12.909) 34.439 13.914 ( -0.529 -11.332 19.390) 22.465 15.582 ( 6.037 8.408 4.749) 11.388 56.557 ( 0.027 0.133 -0.881) 0.892 ======================= Grid point 68 (67/415) ======================= q-point: ( 0.07 0.26 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.892 ( 13.863 51.584 13.990) 55.216 4.341 ( 17.437 8.285 22.753) 29.840 6.986 ( 48.861 2.726 32.740) 58.879 7.722 ( -10.005 -1.459 -13.469) 16.842 9.829 ( 4.773 -18.479 2.679) 19.273 10.427 ( 2.519 6.197 6.559) 9.369 11.566 ( 1.530 -9.998 -0.779) 10.144 12.161 ( -1.575 11.440 -0.644) 11.566 12.430 ( -10.866 -18.124 -10.352) 23.531 13.447 ( -1.728 7.958 -9.799) 12.741 14.604 ( -15.011 1.514 -20.648) 25.573 56.572 ( -0.056 -0.235 0.743) 0.782 ======================= Grid point 69 (68/415) ======================= q-point: ( 0.57 -0.24 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.671 ( -8.636 21.055 11.876) 25.670 6.218 ( -24.036 -0.202 -16.513) 29.163 7.466 ( -2.446 9.830 4.423) 11.053 8.132 ( -6.140 -8.147 -13.702) 17.082 9.381 ( 5.857 -32.103 -2.315) 32.715 10.207 ( 0.048 6.617 11.150) 12.965 10.949 ( 0.883 -8.931 32.724) 33.932 11.337 ( -3.514 0.056 -0.892) 3.626 12.151 ( -5.809 -11.594 9.816) 16.264 13.405 ( -9.012 -1.175 -6.318) 11.069 14.504 ( 14.541 13.140 -19.432) 27.599 56.587 ( 0.462 0.839 -0.349) 1.019 ======================= Grid point 70 (69/415) ======================= q-point: (-0.23 0.12 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1262 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.622 ( 28.038 -23.296 -18.907) 41.065 3.368 ( 49.203 -18.687 -22.852) 57.378 4.850 ( 14.404 -88.801 -9.795) 90.493 8.550 ( -6.987 -0.682 5.120) 8.689 9.334 ( 2.769 11.161 1.642) 11.616 10.165 ( 1.117 9.301 -1.411) 9.473 11.196 ( -7.193 11.920 -16.997) 21.971 11.712 ( 6.414 20.424 -2.402) 21.541 12.441 ( -2.076 0.174 -0.467) 2.135 14.419 ( 4.108 -3.289 10.553) 11.792 15.589 ( -0.300 12.597 13.525) 18.485 56.544 ( -0.007 -0.105 -0.337) 0.353 ======================= Grid point 71 (70/415) ======================= q-point: ( 0.27 -0.38 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.863 ( -31.286 15.648 -0.211) 34.982 6.395 ( -30.597 32.926 -8.246) 45.698 7.563 ( -17.384 31.552 0.002) 36.024 7.903 ( 7.801 9.086 1.192) 12.035 9.146 ( 0.868 -12.209 -0.274) 12.243 9.838 ( 5.759 -10.330 -7.644) 14.082 10.383 ( 8.576 -12.299 -12.810) 19.720 11.708 ( -3.831 -15.556 2.379) 16.197 12.303 ( 3.150 3.913 -3.850) 6.329 14.377 ( 3.871 5.775 10.427) 12.532 15.265 ( 5.508 -8.010 13.184) 16.380 56.552 ( -0.230 -0.033 -0.092) 0.250 ======================= Grid point 72 (71/415) ======================= q-point: ( 0.47 -0.03 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 675 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.390 ( 0.000 7.935 3.607) 8.717 5.960 ( -0.000 5.478 16.077) 16.984 7.444 ( 0.000 1.474 -11.606) 11.699 7.588 ( -0.000 -4.175 -4.666) 6.261 9.943 ( 0.000 4.159 0.654) 4.210 10.420 ( -0.000 -0.286 5.287) 5.295 11.261 ( 0.000 -1.571 -3.032) 3.415 11.417 ( -0.000 -5.971 9.624) 11.326 12.015 ( 0.000 -0.270 -2.085) 2.102 13.561 ( -0.000 -15.465 14.678) 21.322 14.263 ( 0.000 13.124 -17.441) 21.827 56.584 ( 0.000 0.245 -0.016) 0.246 ======================= Grid point 73 (72/415) ======================= q-point: (-0.03 0.47 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.046 ( 4.023 -0.000 -1.579) 4.322 5.237 ( 6.015 -0.000 -3.368) 6.894 7.161 ( -2.218 0.000 -1.990) 2.980 9.706 ( 5.838 -0.000 5.097) 7.750 10.409 ( -1.284 0.000 1.948) 2.333 10.672 ( 13.315 -0.000 25.335) 28.621 11.206 ( -17.519 0.000 -25.053) 30.570 11.780 ( -2.247 0.000 2.340) 3.244 11.799 ( -6.284 -0.000 18.911) 19.927 13.330 ( 1.276 -0.000 -1.671) 2.102 13.446 ( 2.026 0.000 -20.443) 20.544 56.586 ( 0.179 -0.000 -0.023) 0.181 ======================= Grid point 74 (73/415) ======================= q-point: ( 0.17 -0.17 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 710 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.396 ( -30.840 26.814 0.000) 40.867 3.121 ( -56.209 17.716 0.000) 58.935 4.750 ( -14.060 93.478 0.000) 94.529 8.604 ( 6.314 0.354 -0.000) 6.324 9.348 ( -1.927 -8.641 -0.000) 8.853 10.158 ( -0.764 -12.521 -0.000) 12.544 10.967 ( 5.135 -14.434 -0.000) 15.321 11.705 ( -7.349 -16.349 -0.000) 17.925 12.432 ( 3.292 -0.614 -0.000) 3.349 14.531 ( -5.440 2.406 0.000) 5.948 15.746 ( -0.017 -14.417 -0.000) 14.417 56.540 ( 0.002 0.162 0.000) 0.162 ======================= Grid point 75 (74/415) ======================= q-point: (-0.33 0.33 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.863 ( 34.170 -16.627 -0.000) 38.000 6.300 ( 32.620 -28.941 -0.000) 43.608 7.554 ( 23.337 -49.628 -0.000) 54.841 7.930 ( -15.583 3.644 0.000) 16.003 9.143 ( -2.314 11.372 0.000) 11.605 9.754 ( -5.354 11.463 0.000) 12.652 10.245 ( -7.261 12.146 0.000) 14.151 11.734 ( 3.956 16.822 0.000) 17.281 12.261 ( -3.198 -4.327 0.000) 5.381 14.488 ( -4.125 -6.040 0.000) 7.314 15.407 ( -5.636 8.692 0.000) 10.359 56.551 ( 0.264 0.002 -0.000) 0.264 ======================= Grid point 76 (75/415) ======================= q-point: (-0.13 -0.32 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.223 ( -7.592 -46.996 -17.456) 50.705 4.878 ( -9.005 -6.381 -28.067) 30.159 7.438 ( 6.860 2.596 12.357) 14.370 7.661 ( -40.358 -0.618 -29.908) 50.236 9.824 ( -8.119 22.586 3.117) 24.202 10.592 ( -4.667 -11.225 -8.469) 14.815 11.397 ( -5.743 10.121 13.969) 18.181 11.998 ( 0.686 -10.096 15.679) 18.661 12.098 ( 1.473 0.414 21.534) 21.589 13.382 ( 3.031 1.995 -3.372) 4.953 14.348 ( 23.698 0.367 2.577) 23.840 56.590 ( 0.313 0.322 -0.875) 0.984 ======================= Grid point 77 (76/415) ======================= q-point: ( 0.37 0.18 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.760 ( 13.538 10.692 24.701) 30.129 5.938 ( 9.893 -14.915 -12.655) 21.920 7.571 ( 10.100 -3.953 1.927) 11.016 7.923 ( 8.259 0.203 0.658) 8.287 9.303 ( -4.503 36.336 4.705) 36.915 10.379 ( -1.905 -11.140 -4.851) 12.299 11.289 ( 4.708 5.591 1.267) 7.418 11.607 ( 0.353 3.393 -24.888) 25.121 12.343 ( 8.404 7.517 -7.070) 13.308 13.319 ( 1.110 0.500 0.204) 1.235 14.125 ( -14.917 -17.535 14.657) 27.292 56.579 ( -0.393 -0.505 0.373) 0.741 ======================= Grid point 78 (77/415) ======================= q-point: ( 0.57 -0.46 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1262 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.387 ( -13.685 13.444 -10.663) 21.948 6.963 ( 17.323 -7.254 -8.172) 20.482 8.106 ( -13.412 19.125 12.604) 26.542 8.549 ( 8.902 -34.200 2.889) 35.457 8.795 ( -4.533 4.116 2.650) 6.672 9.769 ( 1.903 -13.253 5.950) 14.651 9.900 ( -2.667 -1.975 10.860) 11.355 11.405 ( -1.139 18.250 0.765) 18.302 12.205 ( -4.401 -7.733 2.827) 9.336 14.421 ( -2.101 -6.784 -9.610) 11.949 14.720 ( -3.907 0.673 -10.940) 11.636 56.566 ( 0.410 0.538 -0.073) 0.681 ======================= Grid point 79 (78/415) ======================= q-point: ( 0.07 0.04 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( 30.699 18.045 27.342) 44.896 2.040 ( 31.730 30.237 35.439) 56.365 2.710 ( 18.460 78.384 30.042) 85.950 8.636 ( -3.358 0.815 -5.132) 6.187 9.469 ( 2.042 -6.312 1.361) 6.772 10.295 ( 1.237 -5.490 -3.497) 6.626 11.396 ( 1.254 -1.144 1.316) 2.148 12.223 ( 7.148 -39.874 17.993) 44.326 12.498 ( 0.390 -6.926 2.405) 7.342 14.231 ( 4.236 5.788 -9.958) 12.272 15.788 ( -0.260 -4.112 -14.056) 14.647 56.543 ( -0.004 -0.024 0.448) 0.449 ======================= Grid point 80 (79/415) ======================= q-point: ( 0.27 0.40 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.787 ( -10.862 1.327 17.736) 20.840 6.743 ( 6.244 -6.848 2.984) 9.736 7.433 ( -6.404 60.851 4.493) 61.352 8.943 ( 0.162 -14.919 -5.376) 15.859 9.293 ( 26.170 -14.981 -8.471) 31.322 10.126 ( -12.925 -4.655 -11.838) 18.135 10.808 ( 2.570 -0.154 -30.787) 30.895 11.553 ( 3.316 1.442 4.748) 5.968 12.306 ( 6.219 10.196 -11.055) 16.273 13.680 ( -1.572 1.340 18.243) 18.360 13.992 ( -1.383 -3.641 21.806) 22.151 56.572 ( -0.445 -0.603 0.218) 0.781 ======================= Grid point 82 (80/415) ======================= q-point: (-0.23 -0.10 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.216 ( -19.753 -13.845 -32.476) 40.454 4.360 ( -7.250 -37.692 -33.876) 51.194 5.632 ( -6.046 -49.148 -39.659) 63.442 8.301 ( 6.592 -4.587 12.906) 15.201 9.001 ( -5.666 21.324 10.043) 24.242 10.297 ( -2.920 -2.564 -6.146) 7.272 11.167 ( -3.072 -5.123 11.554) 13.007 12.124 ( -4.807 -0.576 8.158) 9.486 12.411 ( 1.844 18.258 -2.870) 18.574 13.698 ( 0.882 -6.542 17.606) 18.803 15.240 ( 6.943 19.116 -0.767) 20.353 56.574 ( 0.088 0.252 -1.020) 1.054 ======================= Grid point 83 (81/415) ======================= q-point: (-0.03 0.25 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 699 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.954 ( 22.478 -0.000 12.685) 25.810 3.849 ( 28.864 -0.000 16.804) 33.399 6.282 ( 56.052 -0.000 29.742) 63.454 7.997 ( -10.236 0.000 -11.319) 15.261 9.853 ( 1.756 -0.000 10.529) 10.674 10.326 ( 1.055 -0.000 -0.599) 1.213 11.521 ( -6.633 0.000 15.563) 16.917 12.050 ( -6.174 0.000 -2.452) 6.644 13.142 ( -12.660 0.000 -20.185) 23.827 13.285 ( 1.451 -0.000 0.881) 1.698 15.101 ( -9.865 0.000 -25.930) 27.743 56.561 ( 0.167 -0.000 0.564) 0.588 ======================= Grid point 84 (82/415) ======================= q-point: ( 0.47 -0.25 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.933 ( -14.907 25.289 10.853) 31.298 5.926 ( -39.127 20.418 15.565) 46.798 7.669 ( 10.197 -6.118 -19.835) 23.127 8.517 ( -5.921 -4.483 -10.969) 13.247 9.619 ( 3.805 16.478 6.706) 18.192 9.897 ( 1.499 -3.056 11.253) 11.756 10.540 ( 2.843 -13.477 27.312) 30.589 11.217 ( 1.630 0.632 2.879) 3.369 12.225 ( -3.508 -10.375 5.609) 12.305 13.829 ( -15.804 -18.764 -11.972) 27.298 14.702 ( 10.122 6.664 -17.830) 21.558 56.573 ( 0.345 0.809 -0.045) 0.881 ======================= Grid point 85 (83/415) ======================= q-point: (-0.33 0.11 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.522 ( 23.593 -22.860 -20.373) 38.655 4.402 ( 32.571 -18.193 -35.297) 51.359 6.756 ( 7.476 -71.094 -5.891) 71.729 8.416 ( -9.905 -1.382 9.552) 13.830 8.957 ( 4.669 11.276 6.484) 13.820 10.144 ( 1.305 5.152 -9.926) 11.259 11.317 ( -6.467 9.315 -13.947) 17.975 11.454 ( 0.361 14.897 -6.982) 16.456 12.431 ( 2.607 1.708 -0.189) 3.122 14.151 ( 5.005 1.843 15.166) 16.076 14.979 ( -2.178 14.404 16.204) 21.790 56.556 ( -0.107 -0.213 -0.455) 0.513 ======================= Grid point 86 (84/415) ======================= q-point: ( 0.17 -0.39 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.644 ( -26.933 9.873 -4.852) 29.093 5.372 ( -15.406 67.973 -4.758) 69.859 7.462 ( -41.708 5.386 -20.973) 46.994 7.726 ( 8.434 -1.091 9.392) 12.670 9.464 ( -0.736 -15.165 -3.106) 15.497 10.217 ( 4.545 -6.562 -9.703) 12.564 10.999 ( 11.927 -11.423 -19.471) 25.532 11.936 ( -0.516 -15.988 6.326) 17.202 12.300 ( 4.744 5.741 -4.729) 8.822 13.925 ( 3.057 9.327 16.646) 19.324 14.940 ( 9.211 -0.081 24.653) 26.318 56.559 ( -0.259 -0.247 -0.286) 0.458 ======================= Grid point 87 (85/415) ======================= q-point: ( 0.37 -0.03 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 683 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.792 ( 0.000 22.092 19.131) 29.224 5.124 ( -0.000 15.059 38.849) 41.665 7.568 ( 0.000 19.909 -10.910) 22.703 8.068 ( -0.000 -17.455 -14.681) 22.808 9.261 ( 0.000 39.541 5.166) 39.877 10.262 ( -0.000 -1.525 10.252) 10.365 11.380 ( 0.000 1.760 -7.557) 7.759 11.461 ( -0.000 -20.730 18.171) 27.567 12.134 ( 0.000 -2.998 -5.229) 6.027 13.707 ( -0.000 -17.291 5.172) 18.048 14.538 ( 0.000 -2.190 -18.208) 18.340 56.574 ( 0.000 0.315 0.359) 0.477 ======================= Grid point 88 (86/415) ======================= q-point: (-0.13 0.47 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.645 ( 9.965 -47.685 -3.201) 48.820 5.394 ( 17.170 -2.576 -9.026) 19.568 7.192 ( -6.678 4.468 -5.520) 9.748 9.422 ( 15.740 6.655 13.786) 21.956 10.036 ( 9.866 9.187 16.005) 20.926 10.288 ( -7.255 6.156 11.548) 14.963 11.147 ( -13.153 7.651 24.708) 29.017 11.657 ( -12.493 2.825 -16.359) 20.776 11.907 ( -7.971 -13.067 3.430) 15.686 13.469 ( 2.321 -6.137 -7.243) 9.773 14.031 ( -0.504 -0.518 -28.735) 28.744 56.584 ( 0.487 0.323 -0.057) 0.588 ======================= Grid point 89 (87/415) ======================= q-point: ( 0.07 -0.18 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( -32.498 15.221 -23.641) 42.974 2.636 ( -23.397 65.301 -12.173) 70.426 3.447 ( -53.461 26.885 -29.313) 66.634 8.537 ( 6.365 0.496 5.738) 8.584 9.520 ( -2.793 -6.277 -2.550) 7.329 10.311 ( -0.397 -4.214 2.506) 4.919 11.368 ( 3.757 -5.942 -9.734) 12.007 12.311 ( -0.830 -17.776 1.537) 17.862 12.516 ( -1.833 -24.629 -7.323) 25.760 14.249 ( 2.788 14.527 11.869) 18.965 15.771 ( 1.748 -4.653 16.288) 17.029 56.544 ( -0.055 -0.070 -0.426) 0.435 ======================= Grid point 90 (88/415) ======================= q-point: (-0.43 0.32 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.219 ( 27.428 -18.336 1.518) 33.027 6.830 ( 36.909 -15.576 -12.189) 41.874 7.672 ( -15.576 5.258 13.864) 21.505 8.728 ( 1.596 -39.170 -5.364) 39.567 8.934 ( 3.086 3.120 -1.096) 4.523 9.674 ( -2.831 3.333 -7.155) 8.386 10.150 ( -5.384 9.799 -12.906) 17.076 11.381 ( 1.944 15.994 -0.200) 16.113 12.337 ( -0.103 0.733 -3.209) 3.293 14.477 ( -4.027 -4.070 10.789) 12.214 15.026 ( 0.513 14.370 11.836) 18.623 56.554 ( 0.008 -0.225 -0.029) 0.227 ======================= Grid point 91 (89/415) ======================= q-point: (-0.23 -0.32 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1262 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.432 ( -2.078 -17.410 -23.959) 29.689 5.867 ( -5.881 -40.696 -19.432) 45.479 7.129 ( 7.211 -0.652 10.409) 12.680 8.181 ( -30.474 2.563 -18.786) 35.891 9.225 ( -10.592 22.219 6.446) 25.445 10.849 ( -1.065 11.722 11.180) 16.234 11.006 ( -6.880 -12.740 -2.308) 14.662 11.433 ( 0.033 -2.165 33.147) 33.217 12.020 ( -6.974 -14.389 14.853) 21.825 13.464 ( 1.531 2.852 -8.755) 9.334 14.346 ( 22.166 8.229 -9.706) 25.559 56.597 ( 0.528 0.658 -0.769) 1.141 ======================= Grid point 92 (90/415) ======================= q-point: ( 0.27 0.18 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.944 ( 13.530 12.764 27.743) 33.401 6.033 ( 19.662 16.588 10.221) 27.681 7.362 ( 9.873 6.491 11.598) 16.557 7.812 ( -3.852 27.172 -4.096) 27.748 8.811 ( 6.761 -6.920 -5.047) 10.912 10.590 ( 1.658 -7.322 6.339) 9.825 11.168 ( 4.301 4.841 -5.689) 8.619 11.963 ( -3.174 -6.031 -5.592) 8.816 12.374 ( 8.186 6.625 -9.524) 14.199 13.383 ( -3.310 1.357 -8.317) 9.054 14.392 ( -13.903 -17.509 -2.017) 22.448 56.577 ( -0.308 -0.406 0.677) 0.847 ======================= Grid point 93 (91/415) ======================= q-point: ( 0.46 -0.46 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.177 ( -26.012 15.985 0.000) 30.532 7.267 ( 23.384 -9.221 -0.000) 25.136 7.604 ( -21.902 13.337 0.000) 25.643 8.767 ( -0.025 -2.634 -0.000) 2.634 8.865 ( 9.025 -5.853 -0.000) 10.756 9.829 ( 0.237 -3.463 -0.000) 3.471 9.934 ( -4.037 6.016 0.000) 7.245 11.124 ( -0.503 -1.178 -0.000) 1.281 12.288 ( -1.607 -2.780 0.000) 3.211 14.585 ( 2.675 1.193 -0.000) 2.929 14.926 ( -3.411 -8.497 -0.000) 9.157 56.558 ( 0.130 0.283 0.000) 0.311 ======================= Grid point 94 (92/415) ======================= q-point: (-0.04 0.04 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 385 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( 34.412 0.000 -0.000) 34.412 0.872 ( 43.491 0.000 -0.000) 43.491 1.476 ( 73.128 0.000 -0.000) 73.128 8.686 ( -3.027 -0.000 0.000) 3.027 9.501 ( 1.470 0.000 -0.000) 1.470 10.397 ( -0.401 -0.000 0.000) 0.401 11.383 ( -2.405 -0.000 0.000) 2.405 12.502 ( -3.107 -0.000 0.000) 3.107 13.109 ( 1.247 0.000 -0.000) 1.247 14.157 ( -4.496 -0.000 0.000) 4.496 16.099 ( -1.624 -0.000 0.000) 1.624 56.539 ( 0.033 0.000 -0.000) 0.033 ======================= Grid point 95 (93/415) ======================= q-point: ( 0.16 0.39 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1262 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.395 ( -3.591 5.139 12.634) 14.104 5.913 ( -1.476 63.979 7.323) 64.413 6.954 ( -1.060 -7.338 -2.665) 7.879 9.265 ( 11.141 -12.125 2.769) 16.698 9.734 ( 20.601 -16.988 -1.284) 26.733 10.588 ( -14.228 -14.659 -9.472) 22.517 11.267 ( 5.698 10.351 1.287) 11.885 11.463 ( 1.807 -2.377 -20.408) 20.625 12.271 ( 5.065 15.113 -10.924) 19.323 13.323 ( -5.676 -2.579 15.799) 16.984 13.699 ( -6.873 0.772 8.037) 10.604 56.579 ( -0.322 -0.541 0.286) 0.692 ======================= Grid point 96 (94/415) ======================= q-point: (-0.34 -0.11 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.128 ( -17.657 -11.580 -27.312) 34.523 5.606 ( -3.061 -17.412 -27.059) 32.323 7.115 ( -2.282 -23.659 -16.421) 28.890 8.109 ( 6.508 7.592 11.812) 15.476 8.548 ( -5.385 -18.712 5.510) 20.236 10.465 ( -2.853 0.807 -5.383) 6.145 11.073 ( -0.523 -8.636 9.460) 12.820 11.891 ( -5.020 2.454 13.422) 14.538 12.142 ( -1.691 3.897 4.851) 6.448 13.483 ( 1.453 -3.867 13.003) 13.643 14.865 ( 7.356 25.173 -8.448) 27.553 56.587 ( 0.146 0.409 -0.864) 0.967 ======================= Grid point 97 (95/415) ======================= q-point: (-0.14 0.25 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.491 ( 23.416 -59.968 4.768) 64.553 3.656 ( 35.861 -10.192 9.666) 38.514 5.829 ( 58.354 -5.897 17.090) 61.091 8.186 ( -10.782 0.531 -6.762) 12.738 9.604 ( 0.605 6.622 4.695) 8.140 10.284 ( -2.025 4.226 1.072) 4.808 11.094 ( -9.194 9.142 13.144) 18.463 12.143 ( -7.244 -4.631 -0.148) 8.599 12.623 ( 1.866 33.887 -1.297) 33.963 13.992 ( -7.432 -21.848 -9.557) 24.978 15.568 ( -8.701 0.638 -16.427) 18.600 56.550 ( 0.301 0.121 0.280) 0.429 ======================= Grid point 98 (96/415) ======================= q-point: ( 0.36 -0.25 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.195 ( -22.656 26.560 7.623) 35.733 5.126 ( -45.303 21.138 14.436) 52.034 8.086 ( 3.352 19.661 -16.580) 25.936 8.584 ( -0.422 33.472 3.187) 33.626 8.916 ( 0.430 -3.752 -0.399) 3.798 9.765 ( 1.140 -7.934 10.558) 13.256 10.375 ( 5.345 -15.772 16.655) 23.552 11.330 ( 0.876 -9.706 -0.714) 9.772 12.311 ( -1.125 -6.080 2.960) 6.855 14.451 ( -11.913 -12.396 -9.511) 19.648 14.989 ( 4.308 -7.868 -10.539) 13.839 56.557 ( 0.165 0.628 0.086) 0.655 ======================= Grid point 99 (97/415) ======================= q-point: (-0.44 0.10 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1262 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.415 ( 21.891 -21.376 -19.819) 36.454 5.430 ( 19.200 -12.131 -28.303) 36.289 7.511 ( -3.258 -6.945 11.709) 13.998 8.175 ( 5.832 4.732 12.376) 14.477 9.170 ( -3.851 -36.744 -5.230) 37.314 10.277 ( -0.003 4.742 -10.065) 11.126 11.275 ( -1.177 0.810 3.274) 3.572 11.480 ( -1.287 16.616 -22.684) 28.148 12.367 ( 7.298 3.020 1.663) 8.072 13.755 ( 2.174 11.043 7.987) 13.801 14.386 ( -6.234 5.564 18.559) 20.353 56.570 ( -0.216 -0.257 -0.325) 0.467 ======================= Grid point 100 (98/415) ======================= q-point: ( 0.06 -0.40 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.168 ( -13.455 51.685 -8.213) 54.035 4.689 ( -17.458 4.882 -12.634) 22.096 7.525 ( 9.531 -2.705 11.669) 15.308 7.964 ( -47.503 0.410 -27.631) 54.956 9.900 ( -2.364 -17.111 -5.919) 18.260 10.449 ( 0.387 3.715 -8.232) 9.040 11.539 ( 4.359 -9.433 -8.962) 13.722 12.080 ( 7.046 4.238 -3.288) 8.856 12.217 ( 9.280 -7.836 14.708) 19.075 13.424 ( 0.415 7.444 8.632) 11.406 14.330 ( 12.265 3.208 27.149) 29.963 56.573 ( -0.087 -0.247 -0.496) 0.561 ======================= Grid point 101 (99/415) ======================= q-point: ( 0.26 -0.04 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 675 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.809 ( 0.000 27.031 23.826) 36.033 3.807 ( -0.000 22.255 48.001) 52.909 6.611 ( 0.000 74.643 6.222) 74.902 8.715 ( 0.000 10.221 -3.343) 10.754 8.760 ( -0.000 -18.434 -12.661) 22.363 10.106 ( -0.000 -3.637 8.510) 9.254 11.475 ( 0.000 4.395 -7.132) 8.378 11.481 ( -0.000 -24.421 24.265) 34.426 12.315 ( -0.000 -3.218 -5.151) 6.074 13.969 ( -0.000 -9.072 -2.248) 9.347 15.057 ( -0.000 -11.950 -15.656) 19.695 56.559 ( -0.000 0.277 0.478) 0.552 ======================= Grid point 102 (100/415) ======================= q-point: (-0.24 0.46 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.672 ( 22.312 -9.966 -10.979) 26.789 5.963 ( 15.096 -61.260 -2.850) 63.157 7.204 ( -11.493 7.468 -7.232) 15.497 8.938 ( 19.751 8.265 15.538) 26.455 9.525 ( 6.308 7.826 15.510) 18.482 9.863 ( -12.965 11.914 8.494) 19.549 10.511 ( -11.445 8.204 18.722) 23.427 11.839 ( -5.826 2.949 -7.464) 9.917 12.052 ( -7.706 -7.252 4.348) 11.440 13.867 ( -0.984 -10.641 -11.970) 16.047 14.572 ( -5.733 1.195 -22.416) 23.168 56.576 ( 0.622 0.500 -0.064) 0.801 ======================= Grid point 103 (101/415) ======================= q-point: (-0.04 -0.18 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 699 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( -18.056 0.000 -28.347) 33.610 2.714 ( -28.992 0.000 -31.776) 43.015 4.150 ( -43.780 0.000 -51.078) 67.273 8.350 ( 6.795 -0.000 10.984) 12.916 9.708 ( -4.470 0.000 -7.073) 8.367 10.249 ( -2.186 0.000 6.395) 6.758 11.524 ( -7.715 0.000 1.611) 7.881 12.220 ( 2.400 -0.000 8.401) 8.737 13.273 ( 0.517 0.000 -5.286) 5.311 13.559 ( 6.785 -0.000 21.771) 22.804 15.480 ( 9.742 -0.000 11.501) 15.072 56.559 ( 0.019 0.000 -0.851) 0.851 ======================= Grid point 104 (102/415) ======================= q-point: (-0.54 0.32 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.556 ( 15.939 -18.123 2.514) 24.265 7.157 ( -11.419 8.385 19.478) 24.085 7.500 ( 32.023 -17.328 -17.823) 40.539 8.716 ( 3.674 5.719 2.426) 7.217 9.406 ( -8.261 5.531 -8.572) 13.127 9.877 ( 1.215 -9.914 -3.410) 10.555 10.390 ( -3.578 5.885 -24.204) 25.164 11.232 ( 1.253 0.077 -6.510) 6.630 12.358 ( 2.701 5.913 -5.663) 8.622 14.197 ( -1.069 1.560 19.531) 19.622 14.428 ( 0.799 7.672 18.839) 20.357 56.560 ( -0.254 -0.430 0.055) 0.503 ======================= Grid point 105 (103/415) ======================= q-point: (-0.34 -0.33 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.040 ( 1.206 5.459 -10.440) 11.842 6.502 ( -9.479 -0.683 -14.732) 17.531 7.650 ( 4.531 -44.244 -7.403) 45.087 8.112 ( -25.603 19.023 6.239) 32.501 8.896 ( -2.846 -1.134 -1.639) 3.474 10.344 ( -0.200 5.985 15.974) 17.060 10.781 ( -0.046 -5.460 33.903) 34.340 11.356 ( -5.772 -6.774 -5.704) 10.571 12.029 ( -7.311 -13.119 11.932) 19.182 13.577 ( -4.729 2.032 -7.341) 8.966 14.436 ( 17.001 10.752 -18.444) 27.291 56.594 ( 0.616 0.883 -0.513) 1.193 ======================= Grid point 106 (104/415) ======================= q-point: ( 0.16 0.17 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.104 ( 18.704 12.599 26.679) 34.933 4.944 ( 17.378 54.553 16.250) 59.516 6.332 ( 32.622 24.333 34.044) 53.059 7.913 ( -11.502 -0.406 -14.691) 18.662 9.289 ( 7.138 -20.199 -4.964) 21.990 10.446 ( 3.084 0.779 9.517) 10.034 11.337 ( 4.201 -4.459 -6.853) 9.192 12.168 ( -7.005 -19.229 9.523) 22.573 12.388 ( 2.415 6.514 -5.362) 8.776 13.630 ( -2.388 5.726 -20.104) 21.039 14.828 ( -11.430 -8.033 -13.316) 19.299 56.569 ( -0.137 -0.280 0.806) 0.864 ======================= Grid point 107 (105/415) ======================= q-point: ( 0.36 -0.47 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1262 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.770 ( -27.186 14.407 6.864) 31.524 7.317 ( 15.803 -8.326 8.586) 19.818 7.506 ( -26.765 14.699 -10.280) 32.220 8.701 ( 3.727 18.140 -1.171) 18.556 8.985 ( -0.018 1.033 -8.831) 8.892 9.645 ( -0.687 7.390 -3.347) 8.142 10.049 ( 4.659 -6.271 -11.110) 13.582 11.412 ( -1.020 -17.592 -0.458) 17.627 12.323 ( 1.412 2.196 -3.101) 4.053 14.417 ( 1.629 3.327 10.694) 11.318 14.985 ( 4.533 -7.842 11.992) 15.028 56.555 ( -0.136 -0.016 0.007) 0.137 ======================= Grid point 109 (106/415) ======================= q-point: ( 0.06 0.39 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.504 ( 5.677 49.127 5.161) 49.722 5.139 ( 5.709 2.541 7.990) 10.144 7.180 ( -4.644 -4.362 -6.310) 8.967 9.255 ( 30.185 -4.668 15.368) 34.192 10.087 ( 6.935 -18.518 3.982) 20.171 10.652 ( -1.656 3.037 14.060) 14.479 11.424 ( -6.162 -5.233 -21.468) 22.940 11.731 ( -7.239 -5.038 1.596) 8.963 12.105 ( -1.684 13.280 1.806) 13.507 13.283 ( -1.408 -2.771 -5.108) 5.980 13.630 ( -9.613 6.685 -12.410) 17.062 56.582 ( -0.035 -0.310 0.296) 0.430 ======================= Grid point 110 (107/415) ======================= q-point: (-0.44 -0.11 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.697 ( -19.196 1.775 -12.018) 22.717 6.025 ( 2.061 2.563 4.030) 5.202 7.454 ( 0.823 1.962 -9.697) 9.928 7.678 ( -3.918 6.764 0.484) 7.832 9.448 ( 2.284 -41.602 -5.672) 42.049 10.418 ( 0.185 2.173 6.198) 6.571 11.168 ( -1.033 -7.666 -0.888) 7.786 11.477 ( -3.879 1.330 20.832) 21.232 12.057 ( -4.586 -2.977 2.901) 6.190 13.299 ( 0.084 -4.933 12.855) 13.770 14.610 ( 7.206 23.058 -16.883) 29.473 56.591 ( 0.177 0.578 -0.476) 0.769 ======================= Grid point 111 (108/415) ======================= q-point: (-0.24 0.24 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 710 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.805 ( 37.413 -15.720 -0.000) 40.582 4.831 ( 24.898 -57.302 -0.000) 62.477 5.965 ( 47.065 -31.818 -0.000) 56.811 8.243 ( -11.490 1.012 0.000) 11.534 9.395 ( -0.243 9.497 0.000) 9.500 10.105 ( -3.585 11.409 0.000) 11.959 10.688 ( -8.417 13.915 0.000) 16.263 12.013 ( 6.786 23.107 0.000) 24.083 12.252 ( -5.538 -4.623 0.000) 7.214 14.429 ( -6.329 -10.522 0.000) 12.278 15.677 ( -5.629 6.363 0.000) 8.495 56.545 ( 0.276 0.036 -0.000) 0.278 ======================= Grid point 112 (109/415) ======================= q-point: ( 0.26 -0.26 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.551 ( -29.933 25.500 0.000) 39.322 4.563 ( -51.039 17.340 0.000) 53.904 6.841 ( -12.144 80.883 0.000) 81.790 8.443 ( 9.867 -0.530 -0.000) 9.881 9.170 ( -0.874 -11.063 -0.000) 11.097 9.877 ( 0.964 -13.275 -0.000) 13.310 10.524 ( 6.309 -15.977 -0.000) 17.177 11.550 ( -3.532 -10.562 -0.000) 11.137 12.357 ( 1.733 -1.641 -0.000) 2.387 14.636 ( -0.896 1.840 0.000) 2.046 15.426 ( -2.207 -18.014 -0.000) 18.148 56.546 ( -0.002 0.346 0.000) 0.346 ======================= Grid point 113 (110/415) ======================= q-point: (-0.54 0.10 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.106 ( 29.414 -10.031 -6.851) 31.823 5.904 ( -1.557 -0.835 -4.717) 5.036 7.395 ( 0.314 -2.203 -1.119) 2.491 7.786 ( 8.131 3.937 10.888) 14.149 9.867 ( -3.429 -4.782 -1.123) 5.991 10.286 ( -5.255 1.941 -3.152) 6.428 11.272 ( 1.951 -0.883 0.023) 2.141 11.609 ( 5.932 6.063 -13.795) 16.194 12.259 ( 9.627 1.905 2.217) 10.061 13.488 ( -3.041 12.366 -8.429) 15.271 14.043 ( -9.642 -10.783 17.345) 22.586 56.578 ( -0.283 -0.218 0.014) 0.358 ======================= Grid point 114 (111/415) ======================= q-point: (-0.04 -0.40 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.818 ( -7.013 0.000 -13.538) 15.247 4.982 ( -6.974 0.000 -19.379) 20.596 7.331 ( 6.082 -0.000 9.533) 11.308 8.530 ( -42.895 0.000 -24.803) 49.550 10.325 ( -5.193 0.000 3.203) 6.101 10.432 ( -3.315 0.000 -13.399) 13.803 11.631 ( 0.919 -0.000 20.554) 20.575 11.820 ( -0.217 -0.000 6.013) 6.017 12.034 ( 5.466 -0.000 14.372) 15.377 13.351 ( 2.181 -0.000 -3.120) 3.807 13.868 ( 20.979 -0.000 7.753) 22.366 56.588 ( 0.211 0.000 -0.634) 0.668 ======================= Grid point 115 (112/415) ======================= q-point: ( 0.16 -0.04 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 683 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( 0.000 30.293 21.866) 37.360 2.253 ( -0.000 28.777 47.551) 55.580 4.588 ( 0.000 97.838 9.628) 98.311 8.698 ( 0.000 1.872 -3.535) 4.000 9.259 ( -0.000 -11.364 -3.769) 11.973 10.116 ( -0.000 -8.284 1.544) 8.427 11.448 ( -0.000 -24.964 29.100) 38.341 11.486 ( 0.000 6.115 -4.248) 7.446 12.464 ( 0.000 -1.997 -3.505) 4.034 14.144 ( -0.000 -3.236 -1.955) 3.781 15.620 ( -0.000 -11.878 -12.618) 17.330 56.545 ( -0.000 0.177 0.315) 0.362 ======================= Grid point 116 (113/415) ======================= q-point: (-0.34 0.46 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.087 ( 28.449 -9.421 -10.336) 31.701 7.166 ( -16.091 9.124 -5.681) 19.351 7.271 ( 15.726 -55.298 2.126) 57.530 8.506 ( 10.954 5.162 9.446) 15.358 9.082 ( -3.664 9.358 8.483) 13.152 9.552 ( -4.822 1.352 5.542) 7.469 10.058 ( -7.435 6.225 9.598) 13.644 11.769 ( -0.973 14.517 -2.550) 14.771 12.126 ( -5.716 -9.361 3.736) 11.587 14.304 ( -1.196 -7.990 -9.050) 12.131 14.899 ( -9.580 2.166 -11.863) 15.401 56.567 ( 0.538 0.467 -0.042) 0.714 ======================= Grid point 117 (114/415) ======================= q-point: (-0.15 -0.19 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.381 ( -12.514 -39.080 -27.725) 49.523 3.527 ( -22.532 -23.877 -30.242) 44.636 5.375 ( -25.777 -10.177 -52.687) 59.531 8.099 ( 7.980 -1.243 14.131) 16.276 9.571 ( -7.026 19.952 2.992) 21.363 10.260 ( -4.709 -8.621 -2.014) 10.027 11.304 ( -10.783 4.349 11.442) 16.312 12.111 ( -2.825 -7.491 10.429) 13.148 12.747 ( 4.473 18.557 10.574) 21.821 13.524 ( 1.578 -8.027 10.945) 13.664 15.276 ( 16.803 6.994 2.626) 18.389 56.577 ( 0.137 0.242 -1.110) 1.145 ======================= Grid point 118 (115/415) ======================= q-point: (-0.65 0.31 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.810 ( -0.196 -11.763 7.482) 13.942 6.635 ( -0.286 3.877 12.562) 13.149 8.231 ( 24.381 -15.320 -14.187) 32.099 8.419 ( 10.501 16.287 7.727) 20.862 9.106 ( -6.777 22.657 -2.696) 23.802 10.155 ( -3.505 -8.119 -6.591) 11.029 10.863 ( -2.417 4.727 -31.204) 31.653 11.479 ( 2.902 -3.264 -3.105) 5.359 12.377 ( 5.015 7.947 -11.336) 14.724 13.694 ( 3.299 2.496 18.472) 18.929 13.989 ( -7.920 -5.361 22.114) 24.093 56.568 ( -0.412 -0.566 0.214) 0.732 ======================= Grid point 119 (116/415) ======================= q-point: ( 0.55 -0.33 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1262 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.697 ( -12.184 21.786 2.892) 25.129 7.021 ( -20.942 4.743 -13.404) 25.313 7.443 ( -4.018 11.610 3.454) 12.762 8.482 ( -4.100 -10.825 -9.242) 14.812 9.209 ( 9.614 -26.333 4.422) 28.380 9.967 ( -1.240 1.266 12.444) 12.570 10.272 ( 0.825 -8.590 27.128) 28.468 11.378 ( -1.744 10.484 1.683) 10.760 12.086 ( -5.628 -11.551 6.336) 14.326 13.816 ( -12.783 -10.205 -10.065) 19.206 14.639 ( 11.633 7.920 -17.882) 22.756 56.583 ( 0.535 0.922 -0.227) 1.090 ======================= Grid point 120 (117/415) ======================= q-point: ( 0.05 0.17 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.235 ( 21.170 44.227 16.863) 51.851 3.422 ( 23.585 27.356 22.433) 42.519 5.238 ( 52.548 8.578 35.942) 64.240 8.194 ( -9.469 0.170 -11.438) 14.850 9.664 ( 4.028 -11.529 4.197) 12.913 10.304 ( 1.793 0.222 0.668) 1.926 11.497 ( -1.284 -7.380 6.608) 9.989 12.224 ( -3.052 3.063 -1.309) 4.518 12.643 ( -3.336 -30.847 3.020) 31.174 13.828 ( -4.885 17.366 -17.844) 25.374 15.283 ( -7.939 -1.390 -20.854) 22.357 56.557 ( 0.041 -0.152 0.694) 0.712 ======================= Grid point 121 (118/415) ======================= q-point: ( 0.25 -0.48 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.365 ( -23.572 10.188 5.928) 26.355 6.980 ( -15.419 49.822 -1.295) 52.170 7.311 ( 11.483 -3.488 7.396) 14.097 8.431 ( -21.798 9.889 -14.746) 28.114 9.227 ( -5.813 -9.340 -5.920) 12.493 9.881 ( 10.270 -9.381 -10.444) 17.394 10.548 ( 9.815 -8.694 -20.686) 24.492 11.688 ( -1.425 -11.457 4.420) 12.363 12.342 ( 4.318 6.040 -6.884) 10.125 14.026 ( 0.601 4.384 18.066) 18.600 14.728 ( 8.959 -2.604 22.640) 24.487 56.559 ( -0.278 -0.282 -0.061) 0.401 ======================= Grid point 123 (119/415) ======================= q-point: (-0.05 0.38 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 699 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.855 ( 13.530 -0.000 2.854) 13.827 5.010 ( 18.234 -0.000 1.908) 18.333 7.383 ( -7.911 0.000 -8.633) 11.709 8.865 ( 40.212 -0.000 24.320) 46.994 10.127 ( -0.718 -0.000 16.611) 16.627 10.374 ( -0.566 -0.000 2.822) 2.878 11.535 ( -11.609 0.000 21.678) 24.591 11.808 ( -5.319 0.000 2.050) 5.701 12.087 ( -16.360 0.000 -24.933) 29.821 13.338 ( 1.961 -0.000 -2.001) 2.802 14.094 ( -7.032 0.000 -31.150) 31.934 56.579 ( 0.299 -0.000 0.239) 0.383 ======================= Grid point 124 (120/415) ======================= q-point: ( 0.45 -0.12 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.446 ( -17.908 21.853 9.238) 29.725 5.481 ( -4.687 14.108 27.594) 31.344 7.644 ( 6.980 -3.299 -14.524) 16.449 7.928 ( -7.330 -1.982 -16.251) 17.938 9.879 ( 2.390 12.858 3.691) 13.589 10.209 ( 1.828 -2.895 11.105) 11.621 11.096 ( -1.975 -12.581 22.259) 25.645 11.331 ( 2.249 -2.992 -3.006) 4.800 12.124 ( -5.951 -5.920 0.016) 8.394 13.285 ( -3.770 -19.214 8.521) 21.355 14.638 ( 5.524 13.185 -21.025) 25.425 56.583 ( 0.162 0.681 -0.043) 0.701 ======================= Grid point 125 (121/415) ======================= q-point: (-0.35 0.24 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.245 ( 30.089 -19.395 -5.516) 36.221 5.660 ( 42.447 -19.955 -12.016) 48.418 7.167 ( 17.994 -64.398 -2.819) 66.924 8.144 ( -12.619 -0.143 6.444) 14.170 9.152 ( 0.384 12.709 1.800) 12.842 9.925 ( -2.947 10.642 -7.804) 13.522 10.555 ( -8.482 14.728 -15.113) 22.744 11.618 ( 4.870 13.747 2.095) 14.734 12.355 ( -2.135 -1.066 -3.568) 4.293 14.467 ( -4.527 -5.245 10.872) 12.892 15.320 ( -0.131 13.440 12.991) 18.693 56.548 ( 0.095 -0.144 -0.154) 0.231 ======================= Grid point 126 (122/415) ======================= q-point: ( 0.15 -0.26 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.223 ( -31.859 18.648 -13.709) 39.379 4.295 ( -39.202 33.410 -11.942) 52.874 5.288 ( -31.561 63.647 -11.982) 72.046 8.383 ( 9.627 -0.195 6.279) 11.495 9.384 ( -2.075 -11.277 0.128) 11.467 10.173 ( 0.493 -9.153 -2.469) 9.493 11.039 ( 8.542 -13.155 -16.180) 22.535 11.846 ( -6.781 -22.599 0.788) 23.607 12.383 ( 3.650 1.669 -2.374) 4.663 14.418 ( 3.509 8.000 11.339) 14.313 15.579 ( 1.341 -9.911 14.570) 17.673 56.545 ( -0.098 0.024 -0.300) 0.316 ======================= Grid point 127 (123/415) ======================= q-point: ( 0.35 0.09 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1262 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.843 ( 25.102 13.879 20.178) 35.070 5.886 ( 5.887 2.385 12.986) 14.456 7.368 ( -0.052 1.653 -0.321) 1.685 7.922 ( 6.615 -7.940 -11.268) 15.289 9.276 ( -3.624 40.622 5.055) 41.095 10.429 ( -0.718 -6.448 3.680) 7.459 11.214 ( 1.425 4.217 -2.002) 4.881 11.800 ( 3.108 -10.256 4.086) 11.469 12.267 ( 9.674 1.098 -6.086) 11.481 13.547 ( -4.333 5.815 -13.176) 15.040 14.182 ( -9.000 -21.253 2.154) 23.180 56.577 ( -0.262 -0.133 0.408) 0.503 ======================= Grid point 128 (124/415) ======================= q-point: (-0.15 -0.41 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.642 ( -0.786 -44.778 -14.012) 46.926 5.476 ( 3.791 -3.889 -23.750) 24.363 7.117 ( 2.680 4.317 6.656) 8.374 8.930 ( -33.272 4.436 -16.220) 37.280 9.911 ( -9.335 21.965 5.030) 24.391 10.867 ( -7.381 -13.999 -3.597) 16.229 11.052 ( 4.896 9.628 16.637) 19.836 11.465 ( -3.484 2.569 28.411) 28.739 11.845 ( -5.659 -13.712 14.022) 20.412 13.439 ( 3.524 0.303 -7.372) 8.177 13.989 ( 21.280 0.863 -13.892) 25.428 56.597 ( 0.512 0.380 -0.639) 0.903 ======================= Grid point 129 (125/415) ======================= q-point: ( 0.05 -0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 375 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( 0.000 35.289 0.000) 35.289 0.835 ( 0.000 40.002 0.000) 40.002 2.291 ( 0.000 108.574 0.000) 108.574 8.721 ( 0.000 0.406 0.000) 0.406 9.437 ( -0.000 -4.593 -0.000) 4.593 10.308 ( -0.000 -8.105 -0.000) 8.105 11.316 ( -0.000 -8.452 -0.000) 8.452 11.404 ( 0.000 5.502 0.000) 5.502 12.531 ( -0.000 -0.488 -0.000) 0.488 14.198 ( -0.000 -0.688 -0.000) 0.688 16.004 ( -0.000 -8.048 -0.000) 8.048 56.539 ( 0.000 0.070 0.000) 0.070 ======================= Grid point 130 (126/415) ======================= q-point: (-0.45 0.45 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.434 ( 26.744 -10.805 -0.000) 28.844 7.028 ( -19.797 9.957 0.000) 22.160 7.840 ( 18.233 -5.198 -0.000) 18.959 8.569 ( -8.453 -16.518 -0.000) 18.555 8.830 ( -2.696 5.805 0.000) 6.400 9.665 ( 2.886 -18.019 -0.000) 18.248 9.859 ( -3.574 3.121 0.000) 4.745 11.414 ( -0.282 19.740 0.000) 19.742 12.248 ( -2.876 -5.327 -0.000) 6.054 14.524 ( 0.755 -3.342 -0.000) 3.426 14.980 ( -8.041 1.717 0.000) 8.223 56.560 ( 0.293 0.272 -0.000) 0.400 ======================= Grid point 131 (127/415) ======================= q-point: (-0.25 -0.19 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1262 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.338 ( -22.126 -9.216 -32.458) 40.349 5.071 ( -8.464 -47.855 -20.981) 52.933 6.685 ( -11.318 -19.497 -40.150) 46.046 7.814 ( 10.395 -2.743 15.516) 18.877 8.952 ( -10.222 21.768 9.834) 25.982 10.544 ( -5.863 -4.236 -8.516) 11.173 10.991 ( -6.296 -2.607 14.548) 16.065 11.990 ( -7.193 -4.964 17.829) 19.856 12.188 ( 2.046 1.024 19.322) 19.457 13.439 ( 1.984 2.046 1.789) 3.364 15.058 ( 16.784 15.580 -4.498) 23.338 56.593 ( 0.265 0.507 -1.097) 1.237 ======================= Grid point 132 (128/415) ======================= q-point: ( 0.25 0.31 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.565 ( -4.403 3.953 18.627) 19.545 6.607 ( 7.220 -0.183 -1.924) 7.475 7.418 ( -4.214 48.011 5.568) 48.516 8.756 ( 29.866 -1.206 4.595) 30.242 8.983 ( 6.421 -17.080 -4.508) 18.795 10.514 ( -6.923 -13.263 -5.159) 15.826 11.353 ( 4.794 7.859 -3.372) 9.804 11.456 ( -1.148 2.150 -20.415) 20.560 12.445 ( 6.472 12.133 -12.677) 18.703 13.364 ( -3.384 -3.090 15.122) 15.801 13.810 ( -12.084 -8.630 6.850) 16.353 56.574 ( -0.394 -0.585 0.389) 0.805 ======================= Grid point 133 (129/415) ======================= q-point: ( 0.45 -0.34 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.166 ( -21.574 23.821 1.767) 32.187 6.441 ( -39.676 22.907 11.401) 47.211 7.857 ( 14.263 -6.261 -18.325) 24.051 8.735 ( -1.032 -5.908 -3.365) 6.877 9.339 ( 6.150 3.409 11.134) 13.169 9.734 ( -4.030 8.760 4.153) 10.499 10.025 ( 2.021 -9.664 15.178) 18.106 11.135 ( 0.564 -1.553 2.115) 2.684 12.207 ( -3.441 -8.187 2.747) 9.296 14.367 ( -13.167 -18.678 -8.949) 24.542 14.818 ( 7.683 2.669 -10.194) 13.041 56.567 ( 0.325 0.773 -0.032) 0.839 ======================= Grid point 134 (130/415) ======================= q-point: (-0.05 0.16 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.168 ( 29.143 -0.000 11.776) 31.432 2.811 ( 37.208 -0.000 17.828) 41.258 4.530 ( 63.669 -0.000 21.458) 67.188 8.383 ( -8.603 0.000 -6.518) 10.793 9.641 ( 2.436 -0.000 5.307) 5.839 10.345 ( -0.543 0.000 -1.499) 1.595 11.348 ( -6.179 0.000 12.199) 13.675 12.241 ( -7.085 0.000 -2.606) 7.549 13.219 ( 2.433 -0.000 1.489) 2.853 13.716 ( -10.708 0.000 -11.478) 15.697 15.728 ( -6.047 0.000 -17.869) 18.864 56.547 ( 0.160 -0.000 0.382) 0.415 ======================= Grid point 135 (131/415) ======================= q-point: ( 0.15 -0.48 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1262 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.133 ( -16.526 5.657 0.075) 17.467 5.709 ( -10.188 67.908 -2.559) 68.715 7.234 ( 9.691 -6.559 9.767) 15.243 8.784 ( -32.685 -3.333 -19.568) 38.240 9.612 ( -7.055 -15.130 -6.203) 17.809 10.318 ( 9.434 -8.074 -11.903) 17.201 11.208 ( 10.370 -8.194 -22.520) 26.112 11.706 ( 4.112 -7.764 11.904) 14.795 12.308 ( 4.930 11.740 -5.663) 13.935 13.548 ( -1.008 3.643 16.895) 17.313 14.188 ( 9.121 2.789 26.700) 28.353 56.569 ( -0.219 -0.410 -0.180) 0.498 ======================= Grid point 137 (132/415) ======================= q-point: (-0.15 0.38 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.390 ( 17.379 -50.106 0.811) 53.041 5.058 ( 28.105 -4.112 -2.292) 28.496 7.540 ( -11.050 3.046 -9.186) 14.689 8.333 ( 42.464 0.070 23.988) 48.771 9.712 ( -2.233 9.141 10.448) 14.061 10.239 ( -5.059 5.147 6.816) 9.927 10.973 ( -13.244 9.904 18.066) 24.492 11.877 ( -7.986 -9.659 3.920) 13.131 12.334 ( -9.584 15.918 -13.335) 22.871 13.612 ( -0.515 -15.224 -8.842) 17.613 14.719 ( -8.749 -0.880 -25.416) 26.894 56.572 ( 0.537 0.250 0.144) 0.610 ======================= Grid point 138 (133/415) ======================= q-point: ( 0.35 -0.12 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.615 ( -18.677 29.069 15.580) 37.902 4.394 ( -11.542 22.667 37.159) 45.031 7.809 ( -0.015 32.210 -12.496) 34.549 8.396 ( -0.841 -13.198 -14.440) 19.581 9.103 ( 2.120 30.380 7.625) 31.394 10.028 ( -0.337 -4.367 12.222) 12.983 10.989 ( 1.297 -21.082 24.351) 32.235 11.451 ( 5.810 -1.007 -4.526) 7.433 12.268 ( -4.150 -6.541 -0.551) 7.766 13.702 ( -9.546 -23.530 -1.011) 25.413 14.908 ( 4.083 1.192 -18.519) 19.001 56.567 ( 0.117 0.632 0.218) 0.678 ======================= Grid point 139 (134/415) ======================= q-point: (-0.45 0.23 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1262 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.800 ( 19.316 -19.891 -8.005) 28.859 6.367 ( 41.234 -16.380 -18.216) 47.962 7.573 ( -9.658 3.773 16.975) 19.891 8.702 ( 11.081 -26.134 2.811) 28.525 8.905 ( -3.690 -14.210 -3.352) 15.059 9.972 ( -3.664 7.748 -12.232) 14.936 10.699 ( -7.877 12.282 -25.491) 29.372 11.341 ( 2.432 9.700 -0.274) 10.004 12.426 ( 1.043 3.933 -5.821) 7.102 14.223 ( -2.119 -2.124 19.830) 20.055 14.655 ( 1.316 14.913 19.272) 24.404 56.557 ( -0.142 -0.306 -0.133) 0.363 ======================= Grid point 141 (135/415) ======================= q-point: ( 0.25 0.09 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.004 ( 22.847 17.830 25.260) 38.444 5.146 ( 20.632 16.393 33.485) 42.611 6.926 ( 7.122 50.214 10.504) 51.793 8.184 ( -10.221 3.418 -11.835) 16.007 8.814 ( 5.967 -6.266 -7.068) 11.172 10.356 ( 2.562 -2.730 9.895) 10.579 11.262 ( 0.414 1.443 -6.990) 7.149 11.863 ( -3.101 -19.569 17.400) 26.369 12.380 ( 6.895 1.653 -5.679) 9.084 13.786 ( -1.829 4.225 -18.900) 19.453 14.698 ( -5.765 -19.151 -8.487) 21.726 56.568 ( -0.166 -0.068 0.663) 0.687 ======================= Grid point 142 (136/415) ======================= q-point: (-0.25 -0.41 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.848 ( 4.068 -22.519 -18.576) 29.474 6.265 ( 7.725 -36.695 -18.455) 41.794 6.900 ( 0.167 3.064 3.505) 4.658 8.996 ( -24.136 9.868 -3.922) 26.369 9.285 ( -10.947 23.388 8.055) 27.050 10.436 ( 3.922 5.525 20.676) 21.758 10.745 ( -2.924 -0.583 33.030) 33.164 11.323 ( -7.769 -8.265 -9.493) 14.791 11.890 ( -7.988 -14.853 11.141) 20.213 13.628 ( -0.149 -2.052 -7.940) 8.202 14.285 ( 15.055 6.099 -20.469) 26.130 56.598 ( 0.700 0.721 -0.504) 1.124 ======================= Grid point 143 (137/415) ======================= q-point: (-0.06 -0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 380 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( -0.000 -0.000 -40.588) 40.588 0.911 ( -0.000 -0.000 -43.219) 43.219 1.669 ( -0.000 -0.000 -78.707) 78.707 8.659 ( 0.000 0.000 5.412) 5.412 9.513 ( -0.000 -0.000 -2.626) 2.626 10.348 ( 0.000 0.000 4.959) 4.959 11.291 ( 0.000 0.000 4.603) 4.603 12.453 ( 0.000 0.000 7.035) 7.035 13.158 ( -0.000 -0.000 -5.233) 5.233 14.064 ( 0.000 0.000 13.055) 13.055 15.725 ( -0.000 -0.000 -1.652) 1.652 56.544 ( -0.000 -0.000 -0.505) 0.505 ======================= Grid point 144 (138/415) ======================= q-point: ( 0.44 -0.56 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 639 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.389 ( 0.000 0.000 16.159) 16.159 6.856 ( 0.000 -0.000 2.849) 2.849 8.027 ( 0.000 0.000 -14.379) 14.379 8.789 ( -0.000 0.000 -2.069) 2.069 8.827 ( 0.000 -0.000 -7.048) 7.048 9.899 ( 0.000 -0.000 -4.355) 4.355 10.015 ( 0.000 -0.000 -6.199) 6.199 11.157 ( 0.000 0.000 -2.853) 2.853 12.332 ( 0.000 -0.000 -2.646) 2.646 14.440 ( 0.000 -0.000 10.962) 10.962 14.839 ( 0.000 -0.000 11.454) 11.454 56.556 ( 0.000 -0.000 0.043) 0.043 ======================= Grid point 146 (139/415) ======================= q-point: (-0.36 -0.20 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.139 ( -25.326 -5.231 -26.484) 37.016 5.989 ( -2.322 -7.117 -5.069) 9.041 7.499 ( -2.622 0.723 -13.382) 13.655 7.811 ( 4.336 -8.992 4.777) 11.067 8.626 ( -6.169 -19.358 -2.267) 20.444 10.527 ( -3.629 5.243 8.191) 10.381 11.017 ( -4.413 -11.642 -0.945) 12.486 11.501 ( -2.065 -4.329 30.765) 31.136 12.013 ( -5.350 -10.042 11.950) 16.501 13.354 ( -1.073 6.130 -0.684) 6.261 14.845 ( 15.359 19.943 -11.714) 27.764 56.600 ( 0.358 0.764 -0.817) 1.175 ======================= Grid point 147 (140/415) ======================= q-point: ( 0.14 0.30 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.068 ( 6.787 7.742 15.784) 18.845 5.673 ( 6.458 62.471 10.091) 63.609 7.198 ( -8.332 -4.578 -10.611) 14.247 8.476 ( 37.989 -0.511 20.104) 42.984 9.507 ( 7.916 -21.760 -1.946) 23.237 10.700 ( -3.794 -4.872 11.203) 12.792 11.335 ( 3.966 -1.749 -11.186) 11.996 11.801 ( -8.950 -5.196 -5.252) 11.605 12.383 ( 2.252 13.035 -5.104) 14.178 13.276 ( -2.975 -2.327 -3.651) 5.253 13.971 ( -14.199 0.209 -11.766) 18.442 56.576 ( -0.201 -0.467 0.502) 0.714 ======================= Grid point 148 (141/415) ======================= q-point: ( 0.34 -0.34 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 710 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.648 ( -28.407 23.433 0.000) 36.824 5.881 ( -43.653 17.939 0.000) 47.195 8.167 ( 14.551 -3.055 -0.000) 14.868 8.522 ( -7.363 57.423 0.000) 57.893 8.943 ( 0.623 -10.167 -0.000) 10.186 9.618 ( 1.259 -6.903 -0.000) 7.017 10.101 ( 4.546 -12.977 -0.000) 13.750 11.344 ( -1.404 -14.495 -0.000) 14.563 12.296 ( -0.699 -3.277 -0.000) 3.351 14.662 ( 1.333 1.304 -0.000) 1.865 15.099 ( -3.300 -18.194 -0.000) 18.491 56.554 ( 0.081 0.492 0.000) 0.498 ======================= Grid point 149 (142/415) ======================= q-point: (-0.16 0.16 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.730 ( 40.686 -11.655 -0.000) 42.322 2.973 ( 22.929 -71.275 -0.000) 74.872 4.402 ( 63.954 -11.602 -0.000) 64.998 8.452 ( -8.540 0.081 0.000) 8.540 9.531 ( 1.754 4.985 0.000) 5.284 10.321 ( -1.678 4.320 0.000) 4.635 11.097 ( -6.871 9.299 0.000) 11.562 12.301 ( -7.082 -2.707 0.000) 7.582 12.528 ( 6.919 40.361 0.000) 40.950 14.260 ( -7.705 -20.099 -0.000) 21.525 15.898 ( -5.566 3.967 0.000) 6.834 56.542 ( 0.195 0.076 -0.000) 0.209 ======================= Grid point 152 (143/415) ======================= q-point: (-0.26 0.37 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1262 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.259 ( 33.265 -9.549 -3.398) 34.775 5.649 ( 17.291 -65.885 0.936) 68.123 7.624 ( -12.809 5.230 -6.612) 15.334 7.953 ( 37.595 -4.120 14.103) 40.364 9.349 ( -3.286 10.568 4.433) 11.922 9.917 ( -8.689 11.324 5.605) 15.335 10.435 ( -10.727 11.515 10.587) 18.967 12.006 ( -5.312 -4.807 -0.233) 7.168 12.144 ( -2.455 12.228 -0.684) 12.491 14.131 ( -3.032 -12.994 -8.425) 15.781 15.142 ( -11.390 0.336 -13.482) 17.652 56.564 ( 0.580 0.326 0.052) 0.667 ======================= Grid point 153 (144/415) ======================= q-point: ( 0.24 -0.13 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.684 ( -24.101 31.148 11.561) 41.045 3.080 ( -20.690 28.892 33.896) 49.110 6.558 ( -3.658 85.260 2.527) 85.376 8.699 ( 5.114 2.301 -2.417) 6.106 9.023 ( -2.776 -12.764 -7.017) 14.828 9.950 ( -0.524 -8.608 6.526) 10.815 10.948 ( 3.052 -20.497 20.515) 29.160 11.538 ( 3.745 0.784 -3.272) 5.034 12.401 ( -0.683 -4.815 -0.605) 4.901 14.137 ( -13.019 -11.664 -3.562) 17.838 15.342 ( 2.653 -10.893 -11.905) 16.353 56.551 ( 0.083 0.447 0.215) 0.503 ======================= Grid point 154 (145/415) ======================= q-point: (-0.56 0.23 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.397 ( 7.362 -18.573 -9.743) 22.228 6.691 ( 16.375 3.203 16.095) 23.183 7.408 ( 12.985 -9.359 -13.778) 21.120 8.446 ( 9.631 7.735 10.449) 16.179 9.641 ( -4.792 -7.443 -3.634) 9.569 10.011 ( -3.805 0.603 -4.754) 6.119 11.083 ( -5.217 8.585 -30.253) 31.877 11.337 ( 3.263 -2.279 -6.551) 7.666 12.451 ( 3.868 7.400 -8.814) 12.141 13.710 ( 4.759 7.530 19.786) 21.699 14.070 ( -8.243 -2.252 22.225) 23.811 56.565 ( -0.335 -0.415 0.040) 0.534 ======================= Grid point 155 (146/415) ======================= q-point: (-0.06 -0.27 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.984 ( -13.524 0.000 -24.703) 28.163 3.878 ( -20.963 0.000 -30.991) 37.415 6.007 ( -43.570 0.000 -42.327) 60.744 7.920 ( 8.870 -0.000 13.953) 16.533 10.000 ( -6.016 0.000 -10.125) 11.777 10.191 ( -5.374 0.000 6.175) 8.186 11.622 ( -9.546 0.000 6.644) 11.630 12.000 ( 1.104 -0.000 8.991) 9.059 12.880 ( 7.945 -0.000 27.938) 29.045 13.355 ( 1.956 -0.000 -4.943) 5.315 14.946 ( 19.664 -0.000 10.119) 22.115 56.577 ( 0.136 0.000 -0.998) 1.007 ======================= Grid point 156 (147/415) ======================= q-point: ( 0.14 0.08 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1262 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.097 ( 25.869 17.709 25.521) 40.424 3.982 ( 31.325 26.675 32.022) 52.136 5.189 ( 16.066 70.764 23.502) 76.276 8.389 ( -8.572 1.309 -10.189) 13.380 9.269 ( 4.920 -16.373 -4.656) 17.719 10.234 ( 2.291 -3.087 5.111) 6.395 11.378 ( 0.340 -2.213 -1.588) 2.745 11.949 ( -2.771 -27.303 18.744) 33.234 12.429 ( 0.974 0.866 -2.182) 2.541 14.102 ( 0.880 5.685 -19.135) 19.981 15.270 ( -3.547 -11.736 -14.540) 19.019 56.554 ( -0.048 -0.050 0.671) 0.674 ======================= Grid point 157 (148/415) ======================= q-point: ( 0.64 -0.42 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.272 ( -4.618 12.399 -10.309) 16.773 6.845 ( 7.735 -4.660 -15.072) 17.570 7.685 ( 6.783 -53.050 -5.491) 53.763 8.481 ( -25.811 24.853 10.591) 37.364 8.898 ( -1.557 5.190 3.841) 6.642 9.976 ( 3.103 0.641 16.598) 16.898 10.155 ( -2.565 -3.259 25.283) 25.621 11.575 ( -4.606 1.953 -4.629) 6.816 11.970 ( -7.380 -12.195 7.483) 16.099 13.874 ( -8.232 -6.163 -8.728) 13.488 14.570 ( 9.829 6.663 -18.689) 22.143 56.589 ( 0.699 0.877 -0.294) 1.159 ======================= Grid point 158 (149/415) ======================= q-point: (-0.16 -0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 675 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( 0.000 -12.387 -38.964) 40.886 2.587 ( -0.000 -57.519 -31.467) 65.564 3.558 ( 0.000 -33.738 -63.397) 71.815 8.518 ( -0.000 -2.104 9.485) 9.715 9.455 ( 0.000 12.082 0.533) 12.094 10.198 ( -0.000 0.371 3.764) 3.783 11.213 ( -0.000 -5.720 9.021) 10.681 12.264 ( -0.000 1.004 8.547) 8.606 12.772 ( 0.000 31.840 -14.164) 34.849 13.904 ( -0.000 -9.998 17.911) 20.513 15.649 ( 0.000 10.616 1.456) 10.715 56.558 ( 0.000 0.126 -0.902) 0.910 ======================= Grid point 159 (150/415) ======================= q-point: ( 0.34 -0.56 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.949 ( -14.460 5.215 16.767) 22.747 6.845 ( 9.417 -7.163 6.653) 13.574 8.255 ( -19.721 21.472 -10.974) 31.151 8.621 ( 6.906 7.624 -2.280) 10.537 9.142 ( 10.910 -8.479 -13.106) 19.044 9.785 ( -6.760 8.970 -4.136) 11.969 10.301 ( 3.555 -1.000 -21.729) 22.041 11.450 ( -0.119 -13.271 -2.485) 13.502 12.372 ( 3.138 4.163 -5.998) 7.947 14.094 ( -1.469 1.402 19.504) 19.609 14.512 ( 6.601 -1.442 20.824) 21.893 56.558 ( -0.225 -0.273 0.065) 0.360 ======================= Grid point 160 (151/415) ======================= q-point: ( 0.54 -0.20 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1262 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.331 ( -24.741 19.376 1.625) 31.468 5.862 ( -8.972 8.120 6.205) 13.599 7.506 ( 4.445 4.339 -4.769) 7.832 8.017 ( -5.317 -3.896 -16.099) 17.396 9.485 ( 4.561 -34.621 -3.669) 35.112 10.204 ( -0.338 3.047 12.895) 13.255 10.949 ( -0.719 -8.515 31.082) 32.235 11.275 ( -2.591 -3.064 -2.636) 4.801 12.040 ( -5.213 -12.181 8.108) 15.533 13.234 ( -7.633 1.638 0.086) 7.807 14.776 ( 12.039 15.849 -17.663) 26.611 56.595 ( 0.369 0.939 -0.403) 1.086 ======================= Grid point 164 (152/415) ======================= q-point: (-0.06 -0.49 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 699 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.107 ( 2.066 0.000 -9.050) 9.283 5.352 ( 5.339 -0.000 -14.311) 15.275 7.139 ( 0.067 -0.000 2.231) 2.232 9.548 ( -20.100 0.000 -6.291) 21.061 10.348 ( -4.730 0.000 4.327) 6.411 10.840 ( -9.238 0.000 -0.741) 9.267 11.000 ( 8.625 -0.000 8.840) 12.350 11.666 ( -6.900 -0.000 26.658) 27.536 11.724 ( -3.189 0.000 6.231) 7.000 13.372 ( 2.846 -0.000 -3.727) 4.690 13.615 ( 14.333 -0.000 -19.734) 24.390 56.592 ( 0.381 -0.000 -0.358) 0.523 ======================= Grid point 166 (153/415) ======================= q-point: (-0.36 0.36 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.546 ( 33.726 -13.443 -0.000) 36.306 6.847 ( 22.730 -43.401 -0.000) 48.993 7.596 ( -17.605 6.257 0.000) 18.684 8.032 ( 22.727 -23.286 -0.000) 32.538 9.081 ( -3.800 10.731 0.000) 11.384 9.628 ( -7.027 8.368 0.000) 10.928 10.100 ( -7.177 9.403 0.000) 11.829 11.790 ( 1.591 17.454 0.000) 17.526 12.186 ( -4.325 -7.308 0.000) 8.492 14.429 ( -1.824 -6.730 -0.000) 6.973 15.242 ( -10.328 3.949 0.000) 11.057 56.558 ( 0.417 0.222 -0.000) 0.472 ======================= Grid point 167 (154/415) ======================= q-point: ( 0.14 -0.14 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( -19.826 34.900 0.000) 40.139 2.038 ( -47.922 25.570 0.000) 54.317 4.552 ( -6.283 100.032 0.000) 100.229 8.701 ( 3.317 0.750 -0.000) 3.400 9.313 ( -1.407 -8.549 -0.000) 8.664 10.127 ( -1.996 -12.331 -0.000) 12.492 11.046 ( 2.708 -14.383 -0.000) 14.635 11.581 ( -4.722 -3.691 0.000) 5.993 12.483 ( 1.741 -2.136 -0.000) 2.755 14.325 ( -13.100 -3.109 0.000) 13.464 15.758 ( 1.113 -13.867 -0.000) 13.912 56.541 ( 0.072 0.220 0.000) 0.231 ======================= Grid point 168 (155/415) ======================= q-point: ( 0.33 0.22 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1262 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.727 ( -5.616 0.898 12.472) 13.708 6.311 ( 15.333 -4.740 -0.648) 16.062 7.885 ( 19.731 1.278 8.011) 21.334 8.125 ( 13.144 -1.698 -7.531) 15.243 9.208 ( -4.904 32.324 3.571) 32.888 10.328 ( -3.317 -13.868 -3.340) 14.645 11.390 ( 5.146 4.794 -0.499) 7.051 11.574 ( -3.247 3.752 -23.269) 23.792 12.507 ( 7.783 7.708 -9.882) 14.752 13.335 ( 0.012 -1.282 8.905) 8.997 13.835 ( -13.403 -13.022 11.948) 22.180 56.571 ( -0.395 -0.449 0.296) 0.667 ======================= Grid point 169 (156/415) ======================= q-point: (-0.17 -0.28 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.077 ( -6.826 -46.133 -22.893) 51.951 4.630 ( -16.431 -7.088 -33.141) 37.664 6.909 ( -30.971 -2.740 -38.652) 49.605 7.615 ( 8.634 0.725 14.304) 16.723 9.643 ( -9.751 23.394 6.069) 26.061 10.475 ( -6.753 -13.247 -6.135) 16.085 11.239 ( -10.034 7.710 15.010) 19.632 11.936 ( -4.752 -11.596 13.747) 18.602 12.165 ( 3.510 2.883 32.306) 32.624 13.444 ( 2.971 2.362 -4.386) 5.800 14.840 ( 24.628 4.447 -2.265) 25.129 56.596 ( 0.338 0.339 -1.106) 1.205 ======================= Grid point 171 (157/415) ======================= q-point: ( 0.53 -0.42 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.032 ( -18.970 19.611 -3.521) 27.511 7.362 ( 19.666 -7.785 -15.365) 26.143 7.641 ( -29.635 23.996 9.877) 39.390 8.678 ( -1.275 -9.966 -3.701) 10.707 8.836 ( 11.048 -21.333 8.312) 25.421 9.770 ( -1.625 -8.317 8.178) 11.777 9.857 ( -1.763 -6.654 12.665) 14.415 11.378 ( -1.448 17.573 0.810) 17.651 12.106 ( -5.412 -10.155 2.774) 11.837 14.270 ( -11.995 -14.007 -7.703) 19.985 14.759 ( 6.619 5.148 -10.604) 13.519 56.575 ( 0.518 0.805 -0.101) 0.963 ======================= Grid point 172 (158/415) ======================= q-point: (-0.27 -0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 683 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.000 ( 0.000 -14.444 -34.442) 37.348 4.290 ( -0.000 -36.595 -36.615) 51.767 5.575 ( -0.000 -51.256 -40.348) 65.231 8.373 ( -0.000 -6.583 12.070) 13.749 8.938 ( 0.000 22.586 11.176) 25.200 10.266 ( 0.000 -2.785 -5.538) 6.199 11.134 ( -0.000 -8.304 12.386) 14.912 12.071 ( -0.000 0.138 9.140) 9.142 12.429 ( 0.000 19.142 -2.921) 19.364 13.707 ( -0.000 -6.651 16.834) 18.100 15.313 ( 0.000 21.063 -2.749) 21.242 56.575 ( 0.000 0.248 -1.045) 1.074 ======================= Grid point 173 (159/415) ======================= q-point: ( 0.23 -0.57 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.544 ( -13.098 4.483 11.347) 17.900 6.873 ( 6.195 -8.674 6.157) 12.309 7.299 ( -6.515 63.101 0.702) 63.440 8.911 ( -3.811 -13.566 -6.940) 15.708 9.694 ( -0.566 -13.935 -15.733) 21.025 9.845 ( -0.321 -2.698 -5.523) 6.155 10.895 ( 6.199 -3.755 -28.299) 29.212 11.594 ( 0.742 -1.696 4.771) 5.118 12.420 ( 5.068 8.478 -9.783) 13.902 13.625 ( -2.765 0.413 21.727) 21.906 14.054 ( 6.216 -0.835 23.770) 24.583 56.565 ( -0.287 -0.468 0.056) 0.552 ======================= Grid point 174 (160/415) ======================= q-point: ( 0.43 -0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.617 ( -17.634 28.699 11.338) 35.540 5.236 ( -27.336 21.843 21.444) 41.039 7.852 ( 8.072 -6.041 -19.583) 22.026 8.397 ( -5.923 -1.209 -14.295) 15.521 9.693 ( 3.493 19.658 7.571) 21.354 9.924 ( 1.068 -5.010 13.146) 14.109 10.578 ( 1.004 -15.588 26.166) 30.474 11.282 ( 4.907 -0.711 0.215) 4.963 12.156 ( -3.399 -11.360 4.764) 12.778 13.493 ( -16.876 -20.089 -6.216) 26.963 14.894 ( 8.645 8.577 -16.853) 20.792 56.580 ( 0.291 0.944 -0.050) 0.989 ======================= Grid point 175 (161/415) ======================= q-point: (-0.07 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.400 ( 21.799 -0.000 6.284) 22.686 4.433 ( 29.293 -0.000 7.228) 30.172 7.371 ( 51.863 -0.000 26.463) 58.225 7.786 ( -10.727 0.000 -10.472) 14.991 9.860 ( -1.132 -0.000 11.729) 11.783 10.330 ( -0.713 -0.000 2.170) 2.284 11.343 ( -10.775 0.000 18.482) 21.393 11.910 ( -7.742 0.000 0.749) 7.778 12.875 ( -14.078 0.000 -20.511) 24.877 13.327 ( 2.740 -0.000 -1.273) 3.021 14.897 ( -10.200 0.000 -27.026) 28.886 56.566 ( 0.351 -0.000 0.369) 0.510 ======================= Grid point 176 (162/415) ======================= q-point: ( 0.13 -0.35 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1262 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.109 ( -26.189 12.665 -13.555) 32.094 5.043 ( -18.037 64.007 -8.678) 67.064 6.532 ( -46.812 18.649 -25.043) 56.270 7.962 ( 12.086 -1.746 12.165) 17.236 9.432 ( -2.522 -15.991 -0.414) 16.194 10.273 ( 1.189 -4.749 -8.505) 9.813 11.215 ( 9.200 -10.146 -16.820) 21.691 11.914 ( -1.219 -21.355 1.133) 21.420 12.380 ( 3.207 4.572 -3.426) 6.552 14.002 ( 4.297 8.934 18.674) 21.142 15.096 ( 6.303 -3.293 23.546) 24.596 56.555 ( -0.113 -0.163 -0.447) 0.489 ======================= Grid point 177 (163/415) ======================= q-point: (-0.37 0.15 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.970 ( 21.831 -20.032 -17.727) 34.527 5.174 ( 41.833 -17.589 -24.718) 51.675 6.952 ( 12.409 -63.940 -5.877) 65.397 8.201 ( -11.423 -3.140 10.350) 15.731 9.041 ( 3.690 13.402 4.814) 14.711 10.160 ( 0.089 6.457 -11.002) 12.757 11.164 ( -8.752 13.062 -20.995) 26.230 11.489 ( 2.995 12.642 -0.445) 12.999 12.461 ( 0.449 0.458 -3.365) 3.426 14.195 ( -0.804 -3.456 19.674) 19.991 14.957 ( -0.175 14.768 18.557) 23.717 56.554 ( -0.073 -0.130 -0.397) 0.424 ======================= Grid point 178 (164/415) ======================= q-point: (-0.17 -0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.821 ( 7.614 -44.843 -9.146) 46.395 5.722 ( 15.420 -2.797 -18.061) 23.913 7.080 ( -4.441 4.885 -1.431) 6.755 9.479 ( -7.264 8.029 4.390) 11.684 10.023 ( -12.318 15.555 5.688) 20.641 10.370 ( 12.383 3.877 25.161) 28.310 10.900 ( -10.340 3.515 27.648) 29.727 11.396 ( -13.003 -2.594 -14.005) 19.286 11.746 ( -7.993 -13.636 8.122) 17.771 13.521 ( 2.808 -4.576 -6.516) 8.443 14.116 ( 8.972 1.636 -25.519) 27.100 56.596 ( 0.672 0.383 -0.334) 0.843 ======================= Grid point 183 (165/415) ======================= q-point: ( 0.23 0.22 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.126 ( 5.929 10.586 22.469) 25.536 6.421 ( 16.816 20.583 1.840) 26.642 7.439 ( -3.668 6.602 1.317) 7.666 7.989 ( 22.944 27.518 10.286) 37.275 8.941 ( 6.335 -14.361 -4.407) 16.303 10.588 ( -2.058 -10.575 6.370) 12.516 11.267 ( 5.330 4.181 -3.869) 7.801 11.859 ( -6.950 -5.081 -1.132) 8.684 12.521 ( 6.194 7.892 -6.722) 12.076 13.312 ( -3.733 -0.130 -6.584) 7.570 14.124 ( -12.489 -12.028 -9.693) 19.865 56.571 ( -0.290 -0.406 0.526) 0.725 ======================= Grid point 184 (166/415) ======================= q-point: (-0.27 -0.28 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.343 ( -8.271 -15.030 -29.468) 34.098 5.671 ( -12.500 -36.009 -19.493) 42.812 7.294 ( 9.088 -5.248 11.373) 15.475 7.688 ( -17.375 -0.678 -24.565) 30.096 8.996 ( -12.224 20.625 7.532) 25.130 10.768 ( -6.373 6.260 16.089) 18.403 10.871 ( -6.752 -11.889 -6.283) 15.047 11.431 ( -0.422 -3.558 36.686) 36.861 11.885 ( -6.162 -12.999 15.092) 20.850 13.486 ( 0.836 4.926 -6.621) 8.295 14.797 ( 22.188 11.638 -9.523) 26.804 56.607 ( 0.507 0.713 -0.966) 1.303 ======================= Grid point 185 (167/415) ======================= q-point: (-0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 415 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( 33.726 0.000 -0.000) 33.726 1.742 ( 43.289 0.000 -0.000) 43.289 2.920 ( 70.788 0.000 -0.000) 70.788 8.596 ( -5.877 -0.000 0.000) 5.877 9.540 ( 2.267 0.000 -0.000) 2.267 10.384 ( -0.885 -0.000 0.000) 0.885 11.312 ( -4.624 -0.000 0.000) 4.624 12.411 ( -5.936 -0.000 0.000) 5.936 13.145 ( 2.401 0.000 -0.000) 2.401 14.029 ( -8.119 -0.000 0.000) 8.119 16.044 ( -3.985 -0.000 0.000) 3.985 56.540 ( 0.093 0.000 -0.000) 0.093 ======================= Grid point 186 (168/415) ======================= q-point: ( 0.43 -0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.652 ( -25.958 20.268 0.000) 32.933 7.045 ( -32.881 19.542 0.000) 38.250 7.713 ( 20.665 -6.893 -0.000) 21.785 8.767 ( 0.047 -4.819 -0.000) 4.819 9.045 ( 8.225 -3.756 -0.000) 9.042 9.826 ( -6.267 10.247 0.000) 12.012 9.837 ( 0.650 -6.926 -0.000) 6.956 11.113 ( -0.435 -1.929 -0.000) 1.978 12.242 ( -2.838 -5.491 -0.000) 6.181 14.627 ( -1.037 -4.957 -0.000) 5.065 14.852 ( -1.718 -8.466 -0.000) 8.639 56.562 ( 0.244 0.560 0.000) 0.611 ======================= Grid point 187 (169/415) ======================= q-point: (-0.37 -0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 675 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.940 ( 0.000 -11.403 -27.622) 29.883 5.578 ( -0.000 -18.125 -28.924) 34.133 7.093 ( -0.000 -24.387 -17.192) 29.838 8.184 ( 0.000 21.867 13.437) 25.666 8.485 ( -0.000 -32.924 4.690) 33.256 10.435 ( 0.000 -0.229 -5.059) 5.064 11.070 ( -0.000 -10.014 10.423) 14.454 11.833 ( -0.000 1.887 13.012) 13.148 12.128 ( 0.000 6.265 4.619) 7.784 13.498 ( -0.000 -4.247 13.684) 14.328 14.940 ( 0.000 26.231 -9.691) 27.964 56.589 ( 0.000 0.409 -0.888) 0.978 ======================= Grid point 188 (170/415) ======================= q-point: ( 0.13 -0.57 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.306 ( -5.108 3.109 3.691) 7.027 5.866 ( -3.213 68.223 0.975) 68.305 6.970 ( 2.594 -8.343 2.311) 9.038 9.339 ( -2.430 -15.755 -3.138) 16.248 10.031 ( -4.481 -7.168 -2.945) 8.952 10.345 ( 1.766 -18.774 -10.437) 21.552 11.367 ( 3.744 7.521 8.153) 11.706 11.512 ( 3.487 -4.303 -16.616) 17.514 12.355 ( 3.285 14.576 -6.758) 16.399 13.232 ( -2.570 -2.684 15.589) 16.026 13.650 ( 1.373 3.296 9.771) 10.403 56.574 ( -0.141 -0.498 0.022) 0.518 ======================= Grid point 189 (171/415) ======================= q-point: ( 0.33 -0.22 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1262 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.776 ( -19.626 30.592 9.112) 37.471 4.263 ( -38.588 26.010 19.082) 50.296 8.096 ( -1.297 42.195 -13.182) 44.225 8.617 ( 2.781 6.651 -4.107) 8.297 8.923 ( 0.297 4.983 3.377) 6.027 9.779 ( 0.336 -7.712 10.595) 13.109 10.470 ( 4.031 -17.937 17.283) 25.232 11.390 ( 5.233 -5.717 -1.503) 7.895 12.286 ( -1.287 -7.913 2.305) 8.341 14.121 ( -19.340 -21.542 -6.524) 29.676 15.109 ( 6.493 -1.995 -10.532) 12.533 56.561 ( 0.178 0.760 0.095) 0.786 ======================= Grid point 190 (172/415) ======================= q-point: (-0.17 0.28 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.946 ( 22.314 -55.342 2.531) 59.725 4.388 ( 36.594 -6.262 3.115) 37.256 6.940 ( 52.158 -3.072 15.668) 54.547 7.956 ( -12.029 1.306 -6.653) 13.808 9.592 ( -1.866 6.633 5.472) 8.799 10.225 ( -3.948 5.445 2.748) 7.266 10.894 ( -10.614 9.952 11.921) 18.810 11.983 ( -8.601 -7.637 1.610) 11.614 12.631 ( -1.507 29.442 -4.476) 29.818 13.859 ( -5.521 -22.238 -7.873) 24.228 15.365 ( -11.219 -0.502 -15.415) 19.072 56.558 ( 0.491 0.164 0.179) 0.548 ======================= Grid point 192 (173/415) ======================= q-point: (-0.47 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.780 ( 14.418 -19.724 -19.750) 31.416 5.971 ( 33.247 -10.585 -17.153) 38.880 7.426 ( -4.922 1.244 9.931) 11.154 8.332 ( 9.945 -3.329 10.446) 14.803 9.088 ( -4.226 -33.878 -5.241) 34.541 10.262 ( -1.677 7.736 -9.589) 12.434 11.276 ( 0.688 0.684 0.108) 0.976 11.429 ( -3.581 14.698 -25.184) 29.378 12.488 ( 4.706 3.258 -2.804) 6.374 13.786 ( 0.226 2.831 18.706) 18.920 14.271 ( -4.596 10.646 18.920) 22.190 56.565 ( -0.246 -0.186 -0.276) 0.414 ======================= Grid point 193 (174/415) ======================= q-point: (-0.27 0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1262 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.029 ( 12.907 -30.431 -13.558) 35.727 6.303 ( 18.720 -35.977 -11.151) 42.061 6.995 ( -9.055 8.109 -3.386) 12.618 9.116 ( 1.121 12.687 7.698) 14.882 9.471 ( -18.466 21.061 11.267) 30.191 9.816 ( 11.608 0.229 19.668) 22.839 10.298 ( -9.726 4.644 19.423) 22.212 11.692 ( -8.655 -2.856 -7.208) 11.620 11.883 ( -9.021 -10.288 4.932) 14.545 13.829 ( -2.816 -9.283 -8.683) 13.019 14.546 ( 3.497 4.054 -20.431) 21.120 56.590 ( 0.785 0.659 -0.234) 1.051 ======================= Grid point 195 (175/415) ======================= q-point: (-0.58 0.35 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.856 ( 13.056 -12.556 11.770) 21.602 6.904 ( -11.753 7.673 11.554) 18.180 8.080 ( 23.373 -12.987 -15.482) 30.897 8.782 ( 3.391 0.278 -1.406) 3.682 9.203 ( -11.562 12.631 -10.194) 19.929 9.909 ( 1.576 -7.719 -0.375) 7.887 10.334 ( -1.849 2.129 -22.016) 22.195 11.253 ( 0.779 0.276 -7.142) 7.190 12.400 ( 1.456 3.070 -5.445) 6.418 14.138 ( -2.954 -1.620 20.299) 20.576 14.473 ( 2.144 6.832 20.228) 21.458 56.556 ( -0.137 -0.217 0.062) 0.264 ======================= Grid point 196 (176/415) ======================= q-point: (-0.08 -0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( -10.835 0.000 -36.135) 37.724 2.128 ( -27.183 0.000 -36.510) 45.518 3.489 ( -21.208 0.000 -68.249) 71.468 8.457 ( 3.717 -0.000 10.358) 11.005 9.627 ( -3.235 0.000 -5.385) 6.282 10.211 ( -1.408 -0.000 8.523) 8.638 11.304 ( -12.482 0.000 8.848) 15.300 12.254 ( 1.021 -0.000 10.082) 10.134 13.284 ( 0.513 0.000 -6.545) 6.565 13.647 ( 2.275 -0.000 23.993) 24.101 15.672 ( 8.579 -0.000 1.300) 8.676 56.559 ( 0.025 0.000 -0.928) 0.928 ======================= Grid point 197 (177/415) ======================= q-point: ( 0.12 0.21 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1262 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.456 ( 16.997 10.860 19.492) 28.050 5.251 ( 13.353 63.334 11.227) 65.692 7.112 ( 43.167 10.975 28.994) 53.146 7.679 ( -11.566 -2.119 -14.292) 18.508 9.417 ( 5.558 -20.074 -1.992) 20.924 10.483 ( 0.291 -1.097 11.084) 11.142 11.399 ( 1.552 -5.689 -1.129) 6.004 11.992 ( -9.784 -19.238 7.244) 22.766 12.414 ( -0.053 9.011 -0.881) 9.054 13.581 ( -2.264 4.985 -19.375) 20.134 14.605 ( -10.902 -2.433 -21.096) 23.871 56.566 ( -0.073 -0.305 0.624) 0.698 ======================= Grid point 198 (178/415) ======================= q-point: (-0.38 -0.29 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.028 ( -2.545 8.933 1.872) 9.475 6.180 ( -22.415 -0.771 -24.534) 33.241 7.724 ( 0.467 -18.222 -0.138) 18.229 7.766 ( -5.823 0.954 -4.932) 7.690 8.831 ( -3.536 -11.834 -5.232) 13.413 10.309 ( -2.965 3.609 17.078) 17.705 10.778 ( -0.277 -7.548 34.828) 35.638 11.238 ( -5.998 -8.750 -5.542) 11.969 11.886 ( -6.758 -13.774 11.448) 19.143 13.478 ( -4.911 6.310 -4.047) 8.961 14.788 ( 17.468 13.454 -15.473) 26.936 56.606 ( 0.580 1.003 -0.637) 1.322 ======================= Grid point 201 (179/415) ======================= q-point: (-0.48 -0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 683 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.497 ( 0.000 2.256 -11.949) 12.160 6.046 ( -0.000 1.931 4.802) 5.175 7.468 ( 0.000 0.990 -14.140) 14.174 7.634 ( 0.000 8.612 3.721) 9.381 9.471 ( -0.000 -42.381 -5.783) 42.774 10.419 ( -0.000 0.130 6.263) 6.264 11.160 ( -0.000 -8.054 -0.433) 8.066 11.433 ( -0.000 2.272 19.531) 19.663 12.009 ( -0.000 -1.425 2.540) 2.912 13.301 ( -0.000 -5.768 14.623) 15.719 14.684 ( 0.000 23.765 -17.047) 29.247 56.593 ( 0.000 0.588 -0.490) 0.765 ======================= Grid point 203 (180/415) ======================= q-point: ( 0.22 -0.22 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.006 ( -23.872 31.182 0.000) 39.271 3.532 ( -50.374 22.336 0.000) 55.104 6.644 ( -7.597 86.316 0.000) 86.650 8.611 ( 6.938 0.266 -0.000) 6.943 9.142 ( -1.779 -10.840 -0.000) 10.985 9.883 ( -0.255 -12.708 -0.000) 12.710 10.637 ( 4.824 -16.875 -0.000) 17.551 11.518 ( 0.622 -5.080 -0.000) 5.118 12.386 ( 1.197 -4.014 -0.000) 4.189 14.496 ( -13.131 -6.719 0.000) 14.750 15.418 ( 1.787 -15.036 -0.000) 15.142 56.547 ( 0.085 0.456 0.000) 0.464 ======================= Grid point 204 (181/415) ======================= q-point: (-0.28 0.28 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.557 ( 37.472 -12.463 -0.000) 39.490 5.262 ( 19.548 -65.748 -0.000) 68.592 6.923 ( 46.609 -13.619 -0.000) 48.558 7.992 ( -13.519 2.361 0.000) 13.724 9.369 ( -2.358 9.805 0.000) 10.085 10.008 ( -6.111 11.628 0.000) 13.136 10.510 ( -9.214 13.042 0.000) 15.968 12.123 ( 3.916 21.922 0.000) 22.269 12.132 ( -6.389 -7.695 0.000) 10.001 14.309 ( -5.279 -12.130 -0.000) 13.229 15.516 ( -10.213 2.269 0.000) 10.462 56.553 ( 0.445 0.159 -0.000) 0.473 ======================= Grid point 205 (182/415) ======================= q-point: (-0.08 -0.37 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 699 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.672 ( -7.389 0.000 -20.576) 21.863 4.821 ( -9.629 0.000 -28.753) 30.322 7.467 ( 7.397 -0.000 12.270) 14.328 7.656 ( -42.746 0.000 -31.705) 53.221 10.197 ( -7.478 0.000 5.986) 9.578 10.341 ( -5.976 0.000 -10.199) 11.821 11.563 ( -7.311 0.000 17.197) 18.687 11.806 ( -1.043 -0.000 9.339) 9.397 12.130 ( 4.091 -0.000 29.729) 30.009 13.406 ( 3.135 -0.000 -4.882) 5.802 14.347 ( 26.090 -0.000 0.678) 26.099 56.593 ( 0.322 -0.000 -0.921) 0.976 ======================= Grid point 206 (183/415) ======================= q-point: (-0.58 0.13 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.591 ( 11.256 -17.367 -19.145) 28.193 5.980 ( 14.527 9.760 16.157) 23.819 7.462 ( 7.605 -5.023 -8.969) 12.787 7.973 ( 10.439 5.085 11.576) 16.396 9.788 ( -4.370 -4.728 -1.356) 6.579 10.178 ( -5.460 2.181 -1.997) 6.209 11.333 ( 4.009 -1.327 -1.310) 4.422 11.687 ( 1.343 5.336 -17.080) 17.944 12.451 ( 9.229 2.861 -0.487) 9.674 13.425 ( -3.209 7.748 0.480) 8.400 13.839 ( -10.171 -6.915 15.926) 20.122 56.572 ( -0.346 -0.185 0.014) 0.393 ======================= Grid point 207 (184/415) ======================= q-point: (-0.38 0.49 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.563 ( 12.141 0.739 -14.968) 19.287 6.902 ( -3.193 3.816 -2.886) 5.752 7.556 ( 12.530 -57.273 -0.215) 58.628 8.563 ( -5.738 22.974 9.785) 25.622 8.939 ( -9.013 9.529 4.658) 13.919 9.550 ( 3.410 -6.596 11.084) 13.341 9.917 ( -6.594 2.870 9.325) 11.776 11.727 ( -3.058 11.407 -2.498) 12.071 12.000 ( -6.843 -11.642 3.585) 13.972 14.226 ( -7.606 -11.120 -7.281) 15.314 14.788 ( -0.174 4.586 -11.141) 12.049 56.579 ( 0.682 0.714 -0.105) 0.993 ======================= Grid point 209 (185/415) ======================= q-point: (-0.68 0.35 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1262 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.761 ( -4.749 -4.149 14.684) 15.981 6.640 ( 1.574 -1.728 5.387) 5.872 8.478 ( 4.922 26.893 2.505) 27.455 8.677 ( 3.648 -3.742 -8.022) 9.574 9.101 ( 11.766 0.121 -8.846) 14.721 10.044 ( -7.819 -3.973 -4.297) 9.767 10.829 ( -0.687 2.114 -29.847) 29.929 11.521 ( 1.174 -4.309 -4.337) 6.225 12.468 ( 4.058 5.592 -10.856) 12.868 13.681 ( -3.542 -1.121 23.925) 24.211 13.941 ( 2.319 -0.441 22.336) 22.460 56.561 ( -0.294 -0.418 0.138) 0.529 ======================= Grid point 210 (186/415) ======================= q-point: (-0.18 -0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.992 ( -20.317 -7.637 -36.713) 42.650 3.275 ( -5.706 -55.711 -28.674) 62.916 5.025 ( -10.148 -13.568 -61.718) 64.001 8.229 ( 4.733 -2.428 13.541) 14.548 9.448 ( -4.855 20.491 4.954) 21.634 10.179 ( -3.080 -8.941 -0.171) 9.458 11.086 ( -9.510 -2.297 13.094) 16.346 12.060 ( -1.965 -3.607 11.986) 12.670 12.808 ( 1.853 17.652 12.214) 21.546 13.548 ( 0.819 -7.797 9.916) 12.641 15.565 ( 10.975 11.452 -2.176) 16.011 56.579 ( 0.085 0.246 -1.207) 1.235 ======================= Grid point 212 (187/415) ======================= q-point: ( 0.52 -0.30 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.460 ( -11.509 24.809 8.043) 28.507 6.354 ( -36.748 19.433 3.193) 41.692 7.571 ( 8.952 -1.559 -14.668) 17.254 8.410 ( -3.067 -7.579 -12.337) 14.800 9.384 ( 7.760 -27.567 2.301) 28.730 9.933 ( -1.915 0.367 14.307) 14.439 10.290 ( 0.913 -10.575 28.522) 30.433 11.346 ( -1.369 6.986 0.139) 7.120 11.976 ( -5.133 -13.211 6.399) 15.551 13.539 ( -14.498 -7.076 -5.926) 17.186 14.883 ( 12.273 10.021 -15.860) 22.418 56.593 ( 0.516 1.107 -0.273) 1.251 ======================= Grid point 214 (188/415) ======================= q-point: ( 0.22 -0.44 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.887 ( -23.875 13.417 -2.591) 27.509 6.587 ( -24.272 42.049 -8.519) 49.293 7.498 ( 2.428 -4.484 6.257) 8.072 7.974 ( -17.049 31.969 -9.059) 37.346 9.151 ( -2.502 -14.074 -0.070) 14.295 10.050 ( 6.354 -8.924 -11.791) 16.095 10.756 ( 10.777 -11.429 -21.911) 26.960 11.640 ( -3.316 -12.297 3.929) 13.328 12.413 ( 2.750 3.649 -6.353) 7.826 14.063 ( 3.103 4.776 19.039) 19.873 14.877 ( 5.580 -6.421 22.956) 24.481 56.555 ( -0.130 -0.120 -0.187) 0.257 ======================= Grid point 215 (189/415) ======================= q-point: ( 0.42 -0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 675 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.255 ( 0.000 21.788 8.654) 23.444 5.437 ( -0.000 15.124 30.279) 33.846 7.770 ( -0.000 -10.577 -12.122) 16.088 7.798 ( 0.000 5.736 -19.562) 20.386 9.904 ( 0.000 12.383 3.458) 12.856 10.228 ( -0.000 -1.725 12.168) 12.290 11.075 ( -0.000 -13.812 21.407) 25.476 11.360 ( -0.000 -3.812 -5.596) 6.771 12.055 ( -0.000 -4.523 -0.927) 4.617 13.248 ( -0.000 -20.169 12.370) 23.661 14.694 ( 0.000 13.801 -20.769) 24.937 56.585 ( 0.000 0.700 -0.045) 0.702 ======================= Grid point 216 (190/415) ======================= q-point: (-0.08 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.107 ( 11.574 -0.000 -3.985) 12.241 5.367 ( 17.274 -0.000 -8.586) 19.290 7.239 ( -6.353 0.000 -5.299) 8.273 9.488 ( 18.568 -0.000 15.739) 24.341 10.164 ( 6.895 -0.000 22.433) 23.469 10.332 ( -3.737 0.000 5.204) 6.407 11.256 ( -15.739 0.000 24.598) 29.203 11.692 ( -6.125 0.000 5.528) 8.251 11.742 ( -17.927 0.000 -22.529) 28.791 13.391 ( 3.292 -0.000 -3.823) 5.045 14.027 ( 0.763 0.000 -29.982) 29.992 56.587 ( 0.516 -0.000 -0.058) 0.519 ======================= Grid point 219 (191/415) ======================= q-point: (-0.18 -0.37 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.614 ( -1.894 -42.644 -19.551) 46.950 5.501 ( -2.261 -4.756 -30.933) 31.378 7.194 ( 4.879 3.626 10.347) 12.001 8.240 ( -33.294 2.582 -24.544) 41.444 9.710 ( -10.922 22.863 7.415) 26.400 10.709 ( -8.570 -15.315 1.892) 17.652 11.069 ( -3.075 8.626 12.143) 15.209 11.407 ( -2.124 -0.328 35.972) 36.036 11.733 ( -5.434 -12.128 14.511) 19.677 13.507 ( 3.274 1.316 -6.836) 7.693 14.465 ( 25.429 3.492 -11.867) 28.278 56.608 ( 0.579 0.417 -0.907) 1.154 ======================= Grid point 220 (192/415) ======================= q-point: ( 0.32 0.13 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.242 ( 12.263 15.762 23.928) 31.167 6.130 ( 18.518 -3.413 -2.878) 19.048 7.397 ( 3.948 1.178 7.300) 8.382 8.095 ( 10.885 -3.651 -11.715) 16.403 9.197 ( -4.119 37.691 5.181) 38.268 10.399 ( -2.309 -10.847 3.041) 11.499 11.268 ( 3.867 4.266 0.244) 5.763 11.825 ( -0.986 -7.082 7.492) 10.357 12.462 ( 9.329 1.822 -5.164) 10.818 13.447 ( -5.475 4.071 -12.166) 13.949 13.996 ( -9.045 -18.315 -4.297) 20.874 56.571 ( -0.317 -0.148 0.346) 0.492 ======================= Grid point 221 (193/415) ======================= q-point: ( 0.51 -0.51 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 710 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.502 ( -19.951 14.773 0.000) 24.825 7.071 ( 24.105 -9.233 -0.000) 25.813 7.949 ( -11.100 19.470 0.000) 22.412 8.507 ( 6.477 -30.172 -0.000) 30.860 8.775 ( -2.666 3.331 0.000) 4.267 9.701 ( 0.323 -18.303 -0.000) 18.306 9.790 ( -3.303 -0.242 0.000) 3.312 11.399 ( -1.175 19.710 0.000) 19.745 12.175 ( -4.352 -7.944 0.000) 9.058 14.523 ( -2.923 -7.892 -0.000) 8.416 14.837 ( -4.068 0.835 0.000) 4.153 56.567 ( 0.426 0.555 -0.000) 0.699 ======================= Grid point 223 (194/415) ======================= q-point: ( 0.21 0.34 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.469 ( -4.923 2.834 12.134) 13.398 6.718 ( 4.194 -5.805 -0.894) 7.217 7.342 ( -3.371 59.793 4.004) 60.022 9.001 ( 2.191 -12.251 0.022) 12.445 9.420 ( 28.538 -12.644 -3.365) 31.394 10.305 ( -14.237 -11.991 -4.298) 19.104 11.399 ( 0.707 0.581 -19.651) 19.672 11.483 ( 2.835 5.830 -0.446) 6.498 12.555 ( 4.527 11.654 -11.205) 16.789 13.263 ( -5.727 -3.083 18.131) 19.263 13.658 ( -3.406 -4.755 7.806) 9.754 56.567 ( -0.264 -0.521 0.209) 0.620 ======================= Grid point 224 (195/415) ======================= q-point: (-0.29 -0.16 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.913 ( -17.453 -8.771 -33.603) 38.868 4.956 ( -3.360 -46.461 -24.572) 52.665 6.548 ( -3.428 -22.410 -44.995) 50.384 8.000 ( 7.613 -6.229 15.321) 18.207 8.766 ( -7.700 23.140 12.039) 27.197 10.439 ( -4.134 -4.698 -7.090) 9.457 10.882 ( -4.222 -8.337 15.439) 18.047 11.863 ( -4.774 -3.631 15.831) 16.930 12.220 ( 1.041 2.619 21.533) 21.717 13.470 ( 1.103 2.115 2.658) 3.571 15.330 ( 9.788 19.065 -6.796) 22.482 56.597 ( 0.150 0.517 -1.193) 1.309 ======================= Grid point 225 (196/415) ======================= q-point: (-0.09 0.20 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 699 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.748 ( 28.498 -0.000 6.744) 29.285 3.566 ( 37.928 -0.000 9.915) 39.203 5.773 ( 59.862 -0.000 17.487) 62.364 8.191 ( -10.424 0.000 -6.726) 12.405 9.674 ( 0.687 -0.000 6.138) 6.177 10.325 ( -1.509 0.000 0.366) 1.552 11.199 ( -8.504 0.000 12.825) 15.389 12.079 ( -8.952 0.000 -0.593) 8.972 13.278 ( 3.440 -0.000 -0.051) 3.441 13.484 ( -12.363 0.000 -11.649) 16.986 15.571 ( -9.502 0.000 -17.014) 19.488 56.552 ( 0.314 -0.000 0.294) 0.431 ======================= Grid point 226 (197/415) ======================= q-point: ( 0.41 -0.30 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.763 ( -18.480 27.733 5.360) 33.755 5.622 ( -41.141 26.426 11.550) 50.242 8.100 ( 10.041 -5.850 -19.155) 22.404 8.708 ( -1.671 -4.379 -6.899) 8.341 9.437 ( 3.823 14.353 10.818) 18.376 9.672 ( -2.054 3.009 8.112) 8.892 10.070 ( 2.428 -13.469 16.346) 21.319 11.172 ( 3.377 -1.583 1.342) 3.964 12.138 ( -3.320 -10.404 2.703) 11.250 14.034 ( -19.432 -23.017 -7.022) 30.930 14.994 ( 9.258 5.428 -9.655) 14.435 56.574 ( 0.348 0.985 -0.032) 1.045 ======================= Grid point 228 (198/415) ======================= q-point: ( 0.11 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.796 ( -16.969 8.214 -9.998) 21.339 5.495 ( -11.257 66.833 -7.044) 68.140 7.442 ( 10.908 -4.986 12.081) 17.023 8.002 ( -43.070 4.304 -24.208) 49.594 9.513 ( -4.244 -19.043 -1.274) 19.551 10.449 ( 3.873 -3.930 -11.999) 13.207 11.372 ( 4.949 -6.781 -11.626) 14.340 11.812 ( 7.221 -15.172 3.285) 17.121 12.386 ( 2.723 10.377 -2.875) 11.107 13.547 ( 0.957 4.168 18.045) 18.544 14.390 ( 10.575 1.423 25.707) 27.833 56.566 ( -0.050 -0.346 -0.411) 0.539 ======================= Grid point 229 (199/415) ======================= q-point: ( 0.31 -0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 683 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.410 ( 0.000 30.361 16.566) 34.586 4.286 ( -0.000 23.674 39.150) 45.752 7.808 ( 0.000 35.937 -11.767) 37.814 8.388 ( -0.000 -16.955 -15.356) 22.875 9.125 ( 0.000 31.411 8.045) 32.424 10.024 ( -0.000 -4.069 12.006) 12.676 11.002 ( -0.000 -21.672 23.731) 32.138 11.523 ( 0.000 0.028 -5.780) 5.781 12.215 ( -0.000 -6.444 -2.370) 6.866 13.601 ( -0.000 -25.121 3.357) 25.344 14.950 ( 0.000 1.731 -18.516) 18.597 56.568 ( 0.000 0.652 0.219) 0.688 ======================= Grid point 230 (200/415) ======================= q-point: (-0.19 0.41 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.720 ( 15.517 -46.241 -3.710) 48.916 5.605 ( 26.322 -3.519 -10.354) 28.503 7.326 ( -10.193 4.045 -6.787) 12.897 9.050 ( 27.091 2.868 20.221) 33.927 9.682 ( 0.916 6.439 15.245) 16.574 10.102 ( -8.798 9.279 7.643) 14.897 10.698 ( -14.011 8.985 17.050) 23.827 11.708 ( -8.822 -10.683 5.083) 14.757 12.089 ( -14.946 6.635 -13.940) 21.488 13.619 ( 1.008 -11.682 -6.866) 13.588 14.594 ( -3.070 0.811 -23.389) 23.604 56.585 ( 0.746 0.325 -0.065) 0.817 ======================= Grid point 232 (201/415) ======================= q-point: (-0.49 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.197 ( 20.154 -16.207 0.000) 25.862 7.133 ( 32.678 -16.285 -10.886) 38.099 7.358 ( -9.609 7.256 10.260) 15.819 8.825 ( -4.038 -16.744 -3.278) 17.533 8.956 ( 13.375 -18.472 -1.047) 22.830 9.871 ( -6.300 7.396 -10.723) 14.469 10.540 ( -7.728 8.987 -23.606) 26.415 11.393 ( 2.504 11.542 -1.203) 11.872 12.436 ( -0.108 1.440 -6.167) 6.333 14.149 ( -3.920 -3.735 20.000) 20.720 14.674 ( -0.376 12.426 21.111) 24.500 56.555 ( -0.047 -0.129 -0.069) 0.154 ======================= Grid point 233 (202/415) ======================= q-point: (-0.29 -0.38 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1262 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.882 ( -0.234 -27.752 -18.576) 33.396 6.346 ( -1.296 -17.590 -25.775) 31.233 6.954 ( 5.319 -6.889 6.123) 10.641 8.458 ( -25.634 13.376 -6.980) 29.744 9.098 ( -9.602 17.612 5.040) 20.683 10.438 ( -2.856 2.036 22.564) 22.835 10.690 ( -2.967 -3.270 34.490) 34.772 11.177 ( -6.928 -8.947 -7.975) 13.843 11.733 ( -7.561 -14.718 12.040) 20.463 13.620 ( -0.527 1.610 -5.884) 6.123 14.639 ( 19.567 8.294 -16.441) 26.870 56.612 ( 0.739 0.830 -0.701) 1.313 ======================= Grid point 234 (203/415) ======================= q-point: ( 0.21 0.12 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.404 ( 16.923 16.284 23.443) 33.183 5.686 ( 31.218 19.346 22.045) 42.835 7.121 ( 12.625 38.719 10.231) 41.991 7.974 ( -10.141 11.937 -10.326) 18.761 8.930 ( 5.490 -12.070 -5.748) 14.453 10.396 ( 1.096 -4.984 10.942) 12.073 11.289 ( 2.001 -0.817 -4.434) 4.932 11.768 ( -6.220 -17.944 19.082) 26.922 12.495 ( 4.258 2.622 -1.283) 5.162 13.737 ( -2.994 4.658 -22.271) 22.949 14.584 ( -5.512 -15.138 -15.179) 22.135 56.564 ( -0.175 -0.113 0.568) 0.605 ======================= Grid point 237 (204/415) ======================= q-point: ( 0.11 0.34 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1262 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.195 ( 5.946 4.472 6.217) 9.695 5.785 ( 4.831 66.906 4.837) 67.255 7.055 ( -5.833 -6.996 -6.884) 11.417 9.116 ( 22.460 -8.298 11.614) 26.612 9.713 ( 14.844 -16.361 3.110) 22.309 10.558 ( -10.497 -10.895 9.545) 17.888 11.391 ( 1.254 2.177 -10.666) 10.957 11.627 ( -7.854 -4.716 6.528) 11.249 12.397 ( -0.760 13.838 1.156) 13.907 13.226 ( -1.613 -2.553 -9.980) 10.427 13.745 ( -8.092 3.195 -12.556) 15.275 56.573 ( -0.045 -0.473 0.244) 0.535 ======================= Grid point 238 (205/415) ======================= q-point: (-0.39 -0.16 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.682 ( -17.792 -2.654 -24.930) 30.743 5.969 ( -0.297 -11.165 -7.710) 13.572 7.478 ( 0.057 0.157 -17.043) 17.044 7.894 ( 3.378 9.054 8.341) 12.765 8.520 ( -4.054 -36.790 -4.087) 37.238 10.457 ( -2.954 1.733 8.000) 8.702 10.950 ( -2.213 -13.265 0.563) 13.460 11.451 ( -2.412 -3.178 27.905) 28.188 11.935 ( -2.464 -8.580 12.765) 15.577 13.338 ( -0.509 6.819 1.955) 7.112 15.090 ( 8.645 21.923 -11.938) 26.417 56.606 ( 0.198 0.795 -0.891) 1.210 ======================= Grid point 239 (206/415) ======================= q-point: (-0.19 0.19 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.442 ( 23.837 -63.228 -0.000) 67.572 3.547 ( 40.709 -8.648 -0.000) 41.617 5.645 ( 59.544 -6.373 -0.000) 59.884 8.259 ( -10.659 0.494 0.000) 10.670 9.552 ( 0.175 5.312 0.000) 5.315 10.275 ( -3.057 4.767 0.000) 5.663 10.943 ( -8.409 9.813 0.000) 12.923 12.144 ( -8.481 -4.965 0.000) 9.828 12.636 ( 3.876 35.645 0.000) 35.855 14.096 ( -8.216 -22.421 -0.000) 23.879 15.748 ( -9.363 1.273 0.000) 9.449 56.547 ( 0.351 0.106 -0.000) 0.367 ======================= Grid point 240 (207/415) ======================= q-point: ( 0.31 -0.31 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.113 ( -24.663 28.073 0.000) 37.368 4.969 ( -46.610 22.167 0.000) 51.612 8.381 ( -6.353 64.293 0.000) 64.606 8.420 ( 10.737 -1.999 -0.000) 10.921 8.944 ( -0.491 -9.950 -0.000) 9.962 9.640 ( 0.809 -8.986 -0.000) 9.023 10.194 ( 4.601 -15.425 -0.000) 16.096 11.338 ( 1.217 -10.676 -0.000) 10.746 12.279 ( -0.947 -5.921 -0.000) 5.996 14.553 ( -13.016 -13.359 0.000) 18.652 15.102 ( 4.232 -8.509 -0.000) 9.504 56.556 ( 0.157 0.687 0.000) 0.704 ======================= Grid point 243 (208/415) ======================= q-point: ( 0.21 -0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 675 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.394 ( 0.000 33.972 14.663) 37.001 2.892 ( 0.000 32.065 35.766) 48.035 6.521 ( 0.000 86.093 2.532) 86.130 8.755 ( 0.000 4.038 -0.746) 4.106 8.989 ( -0.000 -14.153 -8.589) 16.555 9.944 ( -0.000 -8.123 6.385) 10.332 10.978 ( -0.000 -21.133 20.688) 29.574 11.588 ( 0.000 3.385 -3.651) 4.979 12.390 ( -0.000 -5.265 -2.123) 5.677 13.988 ( -0.000 -13.130 -0.331) 13.134 15.371 ( -0.000 -10.015 -12.059) 15.676 56.552 ( 0.000 0.459 0.207) 0.504 ======================= Grid point 244 (209/415) ======================= q-point: (-0.29 0.41 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.877 ( 25.645 -22.405 -7.970) 34.974 6.010 ( 21.301 -48.822 -1.179) 53.279 7.341 ( -14.334 7.071 -5.219) 16.814 8.618 ( 26.946 3.950 12.839) 30.109 9.277 ( -3.523 8.922 7.978) 12.476 9.711 ( -11.790 12.085 5.480) 17.750 10.222 ( -10.451 9.489 8.994) 16.738 11.871 ( -7.629 -11.491 2.172) 13.963 12.065 ( -5.854 11.389 -3.475) 13.269 14.070 ( -3.514 -14.329 -6.957) 16.311 14.943 ( -7.342 1.972 -12.326) 14.482 56.577 ( 0.763 0.501 -0.042) 0.914 ======================= Grid point 245 (210/415) ======================= q-point: (-0.10 -0.24 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 699 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.741 ( -10.501 0.000 -31.401) 33.111 3.411 ( -25.504 0.000 -34.676) 43.045 5.280 ( -27.789 0.000 -54.824) 61.465 8.084 ( 7.292 -0.000 14.018) 15.801 9.869 ( -6.614 0.000 -7.918) 10.317 10.084 ( -5.099 0.000 9.264) 10.574 11.367 ( -15.167 0.000 12.498) 19.653 12.014 ( 0.316 -0.000 11.211) 11.215 12.994 ( 3.667 -0.000 31.947) 32.157 13.395 ( 1.931 0.000 -6.289) 6.579 15.348 ( 19.666 -0.000 1.461) 19.720 56.580 ( 0.142 0.000 -1.161) 1.169 ======================= Grid point 246 (211/415) ======================= q-point: (-0.60 0.26 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.528 ( 5.810 -14.338 0.098) 15.470 6.767 ( -3.446 7.961 16.667) 18.789 7.883 ( 28.217 -15.051 -17.851) 36.625 8.636 ( 9.085 8.103 5.468) 13.345 9.531 ( -6.449 3.421 -3.736) 8.201 9.945 ( -2.634 -6.697 -2.535) 7.630 10.970 ( -5.502 5.315 -29.554) 30.528 11.399 ( 2.735 -1.722 -8.612) 9.199 12.517 ( 2.646 5.492 -9.667) 11.429 13.722 ( -3.230 -1.296 24.715) 24.959 13.982 ( -0.721 6.058 22.647) 23.455 56.559 ( -0.262 -0.282 0.047) 0.388 ======================= Grid point 247 (212/415) ======================= q-point: ( 0.60 -0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.115 ( -9.154 17.158 -0.585) 19.456 6.966 ( -0.693 -5.836 -24.839) 25.524 7.753 ( -3.299 -19.085 0.560) 19.376 8.004 ( -13.828 -1.976 0.149) 13.970 8.896 ( 0.606 -0.786 2.280) 2.487 9.978 ( -2.007 0.286 17.766) 17.882 10.122 ( -1.357 -5.732 27.730) 28.349 11.472 ( -5.578 -2.398 -4.863) 7.779 11.822 ( -7.223 -13.600 7.619) 17.181 13.703 ( -8.559 -1.319 -4.767) 9.886 14.813 ( 13.744 8.405 -16.242) 22.876 56.604 ( 0.737 1.071 -0.395) 1.359 ======================= Grid point 248 (213/415) ======================= q-point: ( 0.10 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.598 ( 24.881 15.474 21.339) 36.247 4.604 ( 27.109 46.667 16.170) 56.340 5.686 ( 34.749 43.220 25.922) 61.217 8.193 ( -10.828 -0.307 -11.580) 15.857 9.363 ( 4.232 -16.195 -2.147) 16.876 10.271 ( 1.182 -3.687 6.816) 7.839 11.349 ( -3.903 -6.642 8.207) 11.256 11.907 ( -0.946 -25.820 9.301) 27.460 12.426 ( -1.288 2.946 0.975) 3.360 14.080 ( -2.929 7.909 -20.177) 21.868 15.197 ( -4.027 -7.656 -19.942) 21.737 56.554 ( 0.009 -0.100 0.580) 0.589 ======================= Grid point 249 (214/415) ======================= q-point: ( 0.30 -0.53 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1262 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.597 ( -19.433 11.977 8.638) 24.407 7.081 ( 12.845 -8.837 12.606) 20.050 7.783 ( -27.305 19.331 -14.429) 36.435 8.736 ( 4.920 10.114 -2.096) 11.441 9.189 ( -7.257 8.777 -9.266) 14.682 9.748 ( 4.174 -0.741 -6.365) 7.648 10.399 ( 6.139 -5.284 -21.998) 23.442 11.434 ( -1.464 -12.709 -1.901) 12.933 12.420 ( 1.591 1.320 -6.154) 6.492 14.093 ( 1.438 2.517 19.815) 20.026 14.626 ( 4.335 -6.842 21.663) 23.128 56.555 ( -0.081 -0.065 -0.001) 0.104 ======================= Grid point 252 (215/415) ======================= q-point: ( 0.50 -0.17 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.864 ( -18.388 17.510 -3.882) 25.687 5.766 ( -2.317 12.881 17.803) 22.096 7.601 ( 4.372 1.546 -6.859) 8.279 7.922 ( -3.975 -0.205 -19.182) 19.591 9.560 ( 2.708 -36.459 -4.451) 36.829 10.196 ( -0.409 -0.425 13.994) 14.007 10.930 ( -0.906 -6.494 28.825) 29.561 11.235 ( -1.316 -7.110 -3.931) 8.230 11.950 ( -3.488 -11.175 6.542) 13.410 13.114 ( -4.140 3.742 5.529) 7.856 14.968 ( 6.801 17.595 -16.401) 24.996 56.601 ( 0.205 1.002 -0.439) 1.113 ======================= Grid point 256 (216/415) ======================= q-point: (-0.10 -0.46 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.130 ( 0.308 0.000 -16.018) 16.021 5.441 ( 3.226 0.000 -23.972) 24.188 7.164 ( 2.409 -0.000 6.258) 6.706 8.980 ( -34.208 0.000 -17.674) 38.504 10.222 ( -7.808 0.000 6.608) 10.229 10.644 ( -8.696 0.000 -3.243) 9.281 11.162 ( 4.643 -0.000 17.676) 18.275 11.528 ( -6.732 -0.000 32.560) 33.249 11.655 ( -3.625 0.000 9.369) 10.046 13.440 ( 3.817 -0.000 -5.103) 6.373 13.995 ( 22.905 -0.000 -16.428) 28.187 56.601 ( 0.531 -0.000 -0.674) 0.858 ======================= Grid point 257 (217/415) ======================= q-point: ( 0.10 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 415 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( 0.000 36.027 0.000) 36.027 1.664 ( 0.000 39.555 0.000) 39.555 4.490 ( 0.000 101.806 0.000) 101.806 8.734 ( 0.000 0.930 0.000) 0.930 9.298 ( -0.000 -8.579 -0.000) 8.579 10.101 ( -0.000 -11.051 -0.000) 11.051 11.074 ( -0.000 -14.345 -0.000) 14.345 11.530 ( 0.000 5.858 0.000) 5.858 12.501 ( -0.000 -2.661 -0.000) 2.661 14.158 ( -0.000 -3.844 -0.000) 3.844 15.773 ( -0.000 -13.268 -0.000) 13.268 56.542 ( 0.000 0.224 0.000) 0.224 ======================= Grid point 258 (218/415) ======================= q-point: (-0.40 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.204 ( 31.670 -10.683 -0.000) 33.424 7.232 ( -18.365 9.211 0.000) 20.546 7.241 ( 17.191 -52.341 -0.000) 55.092 8.395 ( 11.724 2.301 -0.000) 11.948 8.994 ( -4.795 9.409 0.000) 10.560 9.492 ( -5.775 1.176 0.000) 5.893 9.958 ( -6.960 6.413 0.000) 9.464 11.796 ( -1.004 16.320 0.000) 16.351 12.087 ( -5.608 -10.004 0.000) 11.469 14.401 ( -1.838 -8.887 -0.000) 9.075 15.025 ( -10.047 2.386 0.000) 10.326 56.567 ( 0.573 0.467 -0.000) 0.739 ======================= Grid point 259 (219/415) ======================= q-point: (-0.20 -0.24 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.955 ( -5.290 -44.964 -27.389) 52.914 4.220 ( -23.168 -7.466 -34.834) 42.496 6.448 ( -15.161 -5.549 -48.700) 51.306 7.785 ( 7.992 -0.729 15.393) 17.359 9.446 ( -9.526 24.262 8.657) 27.465 10.335 ( -6.827 -14.957 -4.097) 16.944 11.007 ( -12.476 2.810 15.960) 20.452 11.843 ( -4.119 -7.239 14.674) 16.873 12.221 ( 2.075 1.409 34.927) 35.017 13.498 ( 2.372 2.849 -4.689) 5.978 15.304 ( 20.874 7.998 -4.494) 22.802 56.602 ( 0.281 0.356 -1.281) 1.359 ======================= Grid point 260 (220/415) ======================= q-point: ( 0.30 0.26 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.611 ( -5.683 -0.181 11.119) 12.488 6.508 ( 5.583 -4.102 -0.698) 6.963 8.204 ( 11.471 20.909 10.909) 26.226 8.526 ( 24.002 -16.130 -11.619) 31.166 9.121 ( -2.522 26.466 1.137) 26.610 10.239 ( -5.793 -13.733 -1.450) 14.975 11.456 ( -1.325 2.947 -17.683) 17.976 11.527 ( 1.616 3.310 -4.869) 6.105 12.646 ( 5.892 7.070 -11.989) 15.114 13.300 ( -3.818 -2.769 16.191) 16.864 13.619 ( -7.455 -8.090 9.886) 14.791 56.564 ( -0.326 -0.388 0.209) 0.548 ======================= Grid point 261 (221/415) ======================= q-point: ( 0.50 -0.39 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1262 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.662 ( -17.610 23.408 0.708) 29.301 6.971 ( -36.413 27.344 8.131) 46.257 7.714 ( 15.108 -6.815 -18.618) 24.927 8.642 ( -1.330 -5.423 -5.700) 7.979 9.069 ( 11.206 -25.073 8.392) 28.717 9.718 ( -3.290 -6.621 10.082) 12.503 9.826 ( -1.273 -9.103 14.477) 17.148 11.352 ( -1.087 15.790 0.749) 15.846 11.993 ( -5.701 -12.239 2.744) 13.778 13.984 ( -16.044 -15.358 -5.620) 22.910 14.934 ( 10.117 6.977 -9.790) 15.712 56.586 ( 0.573 1.059 -0.126) 1.211 ======================= Grid point 263 (222/415) ======================= q-point: ( 0.20 -0.53 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.272 ( -13.921 7.556 2.282) 16.003 6.918 ( -4.473 17.481 6.378) 19.138 7.235 ( 2.574 33.626 -0.034) 33.724 8.731 ( -16.684 -0.652 -12.708) 20.982 9.352 ( -16.491 -8.773 -5.442) 19.456 10.108 ( 12.661 -11.016 -10.499) 19.796 11.052 ( 9.119 -6.652 -25.800) 28.162 11.587 ( -1.124 -4.428 4.860) 6.670 12.505 ( 3.326 6.772 -8.223) 11.160 13.593 ( -0.286 1.197 22.232) 22.266 14.202 ( 7.876 -1.989 25.991) 27.231 56.560 ( -0.121 -0.350 -0.112) 0.387 ======================= Grid point 265 (223/415) ======================= q-point: (-0.10 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 699 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.820 ( 20.082 -0.000 0.631) 20.092 5.015 ( 28.555 -0.000 -1.748) 28.608 7.572 ( -10.521 0.000 -8.877) 13.765 8.334 ( 43.572 -0.000 24.776) 50.124 9.813 ( -3.259 -0.000 13.032) 13.434 10.293 ( -3.077 0.000 4.556) 5.498 11.100 ( -13.331 0.000 18.302) 22.643 11.745 ( -8.630 0.000 3.520) 9.320 12.567 ( -17.106 0.000 -19.929) 26.264 13.392 ( 3.756 -0.000 -2.855) 4.718 14.710 ( -7.972 0.000 -25.959) 27.155 56.575 ( 0.571 -0.000 0.155) 0.591 ======================= Grid point 266 (224/415) ======================= q-point: ( 0.40 -0.17 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.243 ( -16.799 30.861 9.208) 36.324 4.878 ( -9.662 23.578 28.133) 37.958 7.993 ( 5.984 -7.918 -17.935) 20.498 8.284 ( -5.157 3.126 -17.212) 18.238 9.754 ( 2.398 20.061 8.377) 21.872 9.937 ( 0.306 -4.499 14.294) 14.988 10.587 ( 0.056 -16.717 24.269) 29.469 11.399 ( 5.963 -3.307 -2.910) 7.413 12.088 ( -3.275 -10.801 2.778) 11.623 13.196 ( -11.618 -20.336 0.797) 23.434 15.033 ( 4.939 9.645 -16.084) 19.394 56.584 ( 0.168 1.028 -0.057) 1.043 ======================= Grid point 267 (225/415) ======================= q-point: (-0.40 0.18 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.417 ( 22.928 -16.748 -10.936) 30.427 5.979 ( 36.446 -25.265 -16.673) 47.378 7.261 ( 18.019 -43.381 -6.099) 47.369 7.975 ( -10.106 -9.362 8.635) 16.258 9.104 ( 2.598 14.700 2.771) 15.183 10.138 ( -2.571 7.731 -11.749) 14.298 10.971 ( -10.384 13.128 -22.660) 28.172 11.563 ( 4.061 12.436 2.527) 13.324 12.453 ( -1.228 -1.386 -5.284) 5.599 14.139 ( -3.977 -5.054 19.915) 20.928 14.947 ( -1.524 11.215 21.545) 24.337 56.553 ( 0.010 -0.018 -0.304) 0.304 ======================= Grid point 270 (226/415) ======================= q-point: (-0.20 -0.46 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.949 ( 5.189 -41.912 -14.856) 44.769 5.998 ( 11.621 -3.347 -25.453) 28.180 7.017 ( -1.797 4.981 2.939) 6.056 9.174 ( -22.237 6.832 -6.701) 24.209 9.767 ( -12.105 21.309 8.294) 25.873 10.484 ( -1.518 -2.081 23.303) 23.445 10.760 ( -4.815 1.806 33.152) 33.549 11.169 ( -8.653 -5.355 -9.434) 13.876 11.591 ( -7.378 -12.516 10.568) 17.965 13.579 ( 3.020 -2.212 -5.983) 7.057 14.381 ( 16.958 3.070 -20.822) 27.029 56.610 ( 0.794 0.447 -0.593) 1.087 ======================= Grid point 273 (227/415) ======================= q-point: (-0.31 -0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1262 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.027 ( -21.805 -5.340 -32.874) 39.808 5.486 ( -5.042 -40.773 -18.572) 45.086 7.453 ( 0.396 -9.905 -24.626) 26.547 7.513 ( 4.896 -2.361 5.454) 7.700 8.744 ( -12.553 19.859 9.162) 25.217 10.621 ( -7.705 1.670 16.598) 18.375 10.736 ( -6.481 -13.285 -5.545) 15.787 11.412 ( -1.421 -3.639 35.954) 36.165 11.783 ( -3.882 -11.389 16.433) 20.367 13.500 ( 0.576 6.994 -5.093) 8.671 15.206 ( 17.923 14.368 -8.820) 24.606 56.617 ( 0.398 0.757 -1.117) 1.407 ======================= Grid point 274 (228/415) ======================= q-point: ( 0.19 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.218 ( 3.809 7.598 13.926) 16.315 6.676 ( 8.826 15.542 -3.585) 18.229 7.334 ( -4.999 29.934 1.850) 30.405 8.555 ( 28.739 11.054 13.198) 33.501 9.083 ( 9.251 -18.619 -3.969) 21.166 10.497 ( -7.245 -12.637 6.163) 15.817 11.374 ( 5.160 3.913 -1.718) 6.700 11.700 ( -8.394 -4.452 3.930) 10.282 12.617 ( 3.240 8.945 -1.767) 9.677 13.237 ( -3.537 -1.254 -8.092) 8.920 13.899 ( -9.827 -7.147 -14.960) 19.273 56.566 ( -0.205 -0.414 0.352) 0.581 ======================= Grid point 275 (229/415) ======================= q-point: ( 0.39 -0.39 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.150 ( -23.852 24.510 0.000) 34.200 6.314 ( -39.420 23.943 0.000) 46.122 8.082 ( 15.926 -5.233 -0.000) 16.763 8.771 ( 0.375 -5.895 -0.000) 5.907 9.184 ( 5.671 1.946 -0.000) 5.996 9.699 ( -6.154 11.422 0.000) 12.974 9.857 ( 1.346 -10.308 -0.000) 10.395 11.114 ( 0.841 -2.182 -0.000) 2.339 12.178 ( -3.422 -8.033 -0.000) 8.732 14.462 ( -14.052 -20.180 0.000) 24.591 14.926 ( 7.452 2.551 -0.000) 7.876 56.568 ( 0.323 0.821 0.000) 0.882 ======================= Grid point 276 (230/415) ======================= q-point: (-0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 385 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( 32.540 0.000 -0.000) 32.540 2.605 ( 42.830 0.000 -0.000) 42.830 4.302 ( 66.799 0.000 -0.000) 66.799 8.453 ( -8.379 -0.000 0.000) 8.379 9.584 ( 1.927 0.000 -0.000) 1.927 10.360 ( -1.553 -0.000 0.000) 1.553 11.200 ( -6.500 -0.000 0.000) 6.500 12.268 ( -8.262 -0.000 0.000) 8.262 13.204 ( 3.385 0.000 -0.000) 3.385 13.839 ( -10.597 -0.000 0.000) 10.597 15.934 ( -7.147 -0.000 0.000) 7.147 56.543 ( 0.202 0.000 -0.000) 0.202 ======================= Grid point 279 (231/415) ======================= q-point: (-0.21 0.32 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.383 ( 21.095 -49.658 0.032) 53.953 5.110 ( 35.250 -5.072 -2.165) 35.679 7.705 ( -12.038 2.614 -5.939) 13.675 7.905 ( 42.860 -1.146 15.218) 45.496 9.530 ( -4.246 6.246 6.373) 9.882 10.122 ( -6.380 7.446 4.071) 10.616 10.672 ( -11.498 10.317 10.105) 18.460 11.802 ( -9.350 -9.988 2.766) 13.958 12.546 ( -7.382 22.298 -6.693) 24.423 13.775 ( -2.869 -20.395 -6.006) 21.453 15.141 ( -10.460 -0.157 -14.100) 17.557 56.570 ( 0.707 0.233 0.069) 0.747 ======================= Grid point 280 (232/415) ======================= q-point: ( 0.29 -0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.364 ( -20.602 33.967 7.587) 40.445 3.709 ( -15.158 31.223 26.124) 43.441 8.065 ( -1.331 52.118 -11.249) 53.335 8.667 ( 1.827 -9.383 -9.865) 13.737 8.929 ( 0.250 13.723 7.657) 15.717 9.782 ( 0.034 -7.436 10.345) 12.741 10.533 ( 2.104 -19.239 17.073) 25.808 11.526 ( 7.318 -2.371 -2.494) 8.087 12.259 ( -1.392 -8.829 0.843) 8.978 13.746 ( -15.944 -24.976 -2.378) 29.726 15.220 ( 4.094 -0.497 -10.549) 11.327 56.564 ( 0.119 0.831 0.092) 0.844 ======================= Grid point 281 (233/415) ======================= q-point: (-0.51 0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1262 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.027 ( 11.026 -16.674 -13.661) 24.212 6.646 ( 29.818 -8.284 -3.076) 31.099 7.348 ( -0.564 2.618 -0.244) 2.689 8.576 ( 14.353 -3.983 8.265) 17.035 9.005 ( -3.917 -32.820 -5.291) 33.474 10.203 ( -4.298 10.180 -9.081) 14.303 11.242 ( -5.621 5.553 -19.135) 20.702 11.389 ( 1.152 7.710 -9.590) 12.358 12.559 ( 2.512 2.618 -6.178) 7.164 13.749 ( -3.621 -2.970 23.917) 24.371 14.212 ( -1.661 13.321 21.612) 25.442 56.560 ( -0.215 -0.093 -0.205) 0.311 ======================= Grid point 284 (234/415) ======================= q-point: (-0.31 -0.47 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.203 ( 4.593 -35.619 -15.077) 38.951 6.669 ( 16.720 -21.144 -18.217) 32.534 6.860 ( -3.871 3.804 -0.326) 5.437 8.990 ( -23.038 17.107 3.979) 28.969 9.108 ( -5.978 18.845 8.309) 21.445 9.999 ( 4.626 1.290 21.780) 22.304 10.125 ( -7.165 0.424 22.744) 23.850 11.505 ( -9.555 -7.578 -6.736) 13.932 11.700 ( -9.071 -13.335 6.407) 17.354 13.767 ( -3.028 -4.382 -5.512) 7.665 14.701 ( 11.308 5.525 -17.801) 21.801 56.607 ( 0.889 0.822 -0.393) 1.273 ======================= Grid point 285 (235/415) ======================= q-point: (-0.11 -0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 415 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( -0.000 -0.000 -39.655) 39.655 1.809 ( -0.000 -0.000 -42.333) 42.333 3.284 ( -0.000 -0.000 -74.892) 74.892 8.495 ( 0.000 0.000 10.063) 10.063 9.592 ( -0.000 -0.000 -4.725) 4.725 10.197 ( 0.000 0.000 9.331) 9.331 11.148 ( 0.000 0.000 8.944) 8.944 12.264 ( 0.000 0.000 10.638) 10.638 13.290 ( -0.000 -0.000 -6.956) 6.956 13.667 ( 0.000 0.000 24.540) 24.540 15.770 ( -0.000 -0.000 -2.520) 2.520 56.559 ( -0.000 -0.000 -0.954) 0.954 ======================= Grid point 286 (236/415) ======================= q-point: ( 0.39 -0.61 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 639 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.010 ( 0.000 -0.000 18.429) 18.429 6.763 ( 0.000 -0.000 5.725) 5.725 8.342 ( 0.000 0.000 -13.898) 13.898 8.853 ( -0.000 0.000 -3.860) 3.860 9.023 ( 0.000 -0.000 -10.788) 10.788 9.927 ( 0.000 -0.000 0.434) 0.434 10.316 ( 0.000 -0.000 -21.056) 21.056 11.261 ( 0.000 -0.000 -7.273) 7.273 12.415 ( 0.000 -0.000 -5.333) 5.333 14.107 ( 0.000 -0.000 20.393) 20.393 14.495 ( 0.000 -0.000 20.865) 20.865 56.555 ( 0.000 -0.000 0.065) 0.065 ======================= Grid point 288 (237/415) ======================= q-point: (-0.41 -0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.627 ( -27.744 8.201 -17.891) 34.016 6.003 ( -1.979 4.080 1.234) 4.699 7.693 ( 1.338 12.779 -0.669) 12.866 7.804 ( 2.625 -21.431 -9.666) 23.656 8.761 ( -3.287 -24.443 -8.963) 26.242 10.238 ( -3.830 0.420 17.492) 17.911 10.772 ( -0.251 -8.362 34.362) 35.366 11.120 ( -5.574 -10.859 -4.808) 13.119 11.764 ( -5.228 -13.877 10.934) 18.425 13.389 ( -3.864 10.521 -1.541) 11.314 15.111 ( 14.195 15.655 -12.935) 24.777 56.617 ( 0.452 1.095 -0.735) 1.394 ======================= Grid point 294 (238/415) ======================= q-point: (-0.31 0.31 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 710 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.298 ( 36.283 -10.095 -0.000) 37.661 5.637 ( 17.956 -65.291 -0.000) 67.715 7.706 ( -14.903 4.305 0.000) 15.513 7.789 ( 39.159 -4.643 -0.000) 39.433 9.300 ( -4.489 9.656 0.000) 10.649 9.858 ( -8.863 12.196 0.000) 15.076 10.321 ( -9.585 11.686 0.000) 15.114 11.996 ( -7.230 -10.588 0.000) 12.821 12.162 ( -0.249 19.194 0.000) 19.196 14.221 ( -3.694 -13.886 -0.000) 14.369 15.286 ( -12.014 0.716 0.000) 12.035 56.563 ( 0.630 0.315 -0.000) 0.704 ======================= Grid point 295 (239/415) ======================= q-point: ( 0.19 -0.19 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.622 ( -13.763 36.492 0.000) 39.001 2.632 ( -36.302 31.069 0.000) 47.782 6.532 ( -3.654 89.133 0.000) 89.208 8.720 ( 3.868 1.067 -0.000) 4.012 9.105 ( -1.612 -11.102 -0.000) 11.218 9.874 ( -0.441 -11.513 -0.000) 11.522 10.712 ( 2.627 -17.275 -0.000) 17.473 11.572 ( 4.080 0.504 -0.000) 4.111 12.405 ( 0.626 -5.572 -0.000) 5.607 14.176 ( -15.866 -12.458 0.000) 20.172 15.474 ( 2.811 -11.682 -0.000) 12.015 56.549 ( 0.091 0.504 0.000) 0.513 ======================= Grid point 296 (240/415) ======================= q-point: (-0.62 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.615 ( -3.120 -10.486 -8.949) 14.134 6.337 ( 14.225 6.470 12.972) 20.310 7.748 ( 21.051 -9.231 -14.648) 27.256 8.203 ( 12.467 7.485 11.461) 18.515 9.693 ( -5.220 -3.181 -1.271) 6.243 10.071 ( -5.079 0.919 -1.231) 5.306 11.425 ( 4.822 -1.436 -3.029) 5.873 11.656 ( -4.185 4.369 -18.181) 19.161 12.619 ( 7.404 3.018 -5.024) 9.443 13.353 ( -4.261 1.580 10.676) 11.603 13.659 ( -7.349 -1.069 13.833) 15.701 56.565 ( -0.340 -0.144 0.015) 0.369 ======================= Grid point 297 (241/415) ======================= q-point: (-0.12 -0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.528 ( -6.776 0.000 -26.818) 27.660 4.567 ( -16.403 0.000 -34.360) 38.074 6.885 ( -32.501 0.000 -40.507) 51.934 7.622 ( 7.951 -0.000 14.079) 16.169 10.034 ( -8.573 0.000 8.816) 12.297 10.193 ( -8.520 0.000 -7.425) 11.301 11.351 ( -13.525 0.000 17.228) 21.903 11.781 ( -1.351 -0.000 11.740) 11.817 12.197 ( 2.600 -0.000 36.860) 36.952 13.471 ( 3.260 -0.000 -5.973) 6.805 14.884 ( 26.781 -0.000 -3.387) 26.994 56.600 ( 0.348 0.000 -1.160) 1.211 ======================= Grid point 299 (242/415) ======================= q-point: ( 0.58 -0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.417 ( -14.720 16.841 -4.249) 22.767 7.189 ( 19.448 -8.776 -15.388) 26.307 7.758 ( 6.191 -47.575 -1.213) 47.992 8.282 ( -19.178 23.223 7.865) 31.128 8.819 ( -2.758 5.732 2.587) 6.866 9.613 ( 1.886 -5.153 15.722) 16.652 9.794 ( -5.716 -0.529 9.928) 11.468 11.651 ( -4.455 6.739 -2.504) 8.457 11.856 ( -7.443 -13.464 3.502) 15.778 14.019 ( -11.892 -9.775 -4.873) 16.146 14.880 ( 8.214 5.987 -10.295) 14.467 56.594 ( 0.784 0.962 -0.163) 1.252 ======================= Grid point 300 (243/415) ======================= q-point: (-0.22 -0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 675 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.766 ( 0.000 -7.767 -39.302) 40.062 3.219 ( -0.000 -56.066 -30.124) 63.646 4.929 ( 0.000 -14.589 -64.685) 66.310 8.278 ( -0.000 -2.953 13.188) 13.514 9.396 ( 0.000 20.704 5.665) 21.465 10.147 ( -0.000 -8.980 0.511) 8.994 10.981 ( -0.000 -5.596 13.013) 14.165 12.039 ( -0.000 -1.919 12.293) 12.442 12.826 ( 0.000 17.255 12.815) 21.493 13.556 ( -0.000 -7.691 9.343) 12.102 15.680 ( 0.000 13.356 -3.448) 13.794 56.580 ( 0.000 0.247 -1.240) 1.264 ======================= Grid point 301 (244/415) ======================= q-point: ( 0.28 -0.62 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.627 ( -8.272 3.175 12.998) 15.731 6.707 ( 4.976 -6.355 6.011) 10.064 8.410 ( -12.623 38.462 -3.883) 40.666 8.693 ( 3.678 -4.718 -4.279) 7.355 9.413 ( 11.827 -11.850 -11.655) 20.399 9.857 ( -8.528 2.686 -2.344) 9.243 10.847 ( 2.646 -0.828 -28.755) 28.888 11.525 ( -0.715 -4.725 -4.376) 6.480 12.539 ( 2.973 3.122 -10.164) 11.040 13.620 ( -1.845 -0.526 24.778) 24.852 14.019 ( 4.660 -2.053 25.093) 25.604 56.557 ( -0.147 -0.274 0.057) 0.316 ======================= Grid point 302 (245/415) ======================= q-point: ( 0.48 -0.26 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1262 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.215 ( -14.233 28.210 7.367) 32.444 5.690 ( -26.477 21.186 9.893) 35.324 7.728 ( 6.303 -4.033 -15.457) 17.173 8.361 ( -1.743 -3.531 -16.090) 16.564 9.519 ( 5.695 -28.383 0.839) 28.960 9.896 ( -1.751 -1.708 15.775) 15.963 10.309 ( 0.963 -11.273 28.310) 30.487 11.325 ( -0.710 1.167 -1.718) 2.195 11.884 ( -4.035 -14.398 6.116) 16.155 13.255 ( -13.308 -1.041 -1.471) 13.429 15.112 ( 10.129 11.742 -13.847) 20.790 56.603 ( 0.411 1.250 -0.312) 1.352 ======================= Grid point 306 (246/415) ======================= q-point: (-0.12 -0.55 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 699 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.316 ( 9.205 -0.000 -10.469) 13.940 5.695 ( 15.268 -0.000 -17.861) 23.498 7.132 ( -4.276 0.000 -1.456) 4.517 9.564 ( -8.010 0.000 4.735) 9.305 10.224 ( -6.950 0.000 7.249) 10.043 10.387 ( 9.906 -0.000 25.003) 26.894 10.948 ( -12.937 0.000 25.184) 28.313 11.386 ( -16.882 0.000 -14.090) 21.989 11.567 ( -6.322 0.000 8.333) 10.459 13.466 ( 4.136 -0.000 -4.938) 6.442 14.133 ( 9.840 -0.000 -26.216) 28.002 56.600 ( 0.706 -0.000 -0.351) 0.788 ======================= Grid point 311 (247/415) ======================= q-point: ( 0.28 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1262 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.366 ( 2.252 12.283 18.225) 22.093 6.492 ( 13.603 -6.136 -12.182) 19.264 7.578 ( 14.829 6.980 16.404) 23.189 8.367 ( 16.499 -4.211 -11.535) 20.567 9.115 ( -3.938 34.882 5.032) 35.463 10.333 ( -4.417 -13.776 3.009) 14.776 11.359 ( 4.982 4.185 2.172) 6.859 11.755 ( -5.778 -4.947 9.904) 12.488 12.628 ( 7.084 2.302 -1.274) 7.557 13.334 ( -5.637 2.078 -11.470) 12.948 13.832 ( -7.277 -14.304 -11.717) 19.870 56.565 ( -0.304 -0.170 0.265) 0.438 ======================= Grid point 312 (248/415) ======================= q-point: (-0.22 -0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.572 ( -2.204 -41.040 -24.023) 47.605 5.345 ( -13.940 -4.353 -34.682) 37.631 7.306 ( 6.032 2.872 11.895) 13.642 7.682 ( -20.623 -0.165 -31.502) 37.653 9.474 ( -12.378 23.498 9.570) 28.231 10.523 ( -9.827 -17.290 5.879) 20.738 10.941 ( -9.166 6.041 8.910) 14.139 11.379 ( -0.909 -1.447 40.036) 40.072 11.634 ( -4.238 -10.121 14.921) 18.522 13.569 ( 2.878 2.846 -6.462) 7.625 14.977 ( 24.891 5.629 -9.608) 27.268 56.620 ( 0.551 0.451 -1.131) 1.336 ======================= Grid point 314 (249/415) ======================= q-point: ( 0.48 -0.48 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.071 ( -21.585 19.745 0.000) 29.254 7.521 ( -28.246 25.910 0.000) 38.330 7.554 ( 22.599 -8.198 -0.000) 24.040 8.720 ( 11.845 -28.731 -0.000) 31.077 8.728 ( -1.951 1.014 0.000) 2.198 9.675 ( -2.791 -16.038 -0.000) 16.279 9.728 ( -2.873 -3.553 0.000) 4.569 11.371 ( -1.471 19.067 0.000) 19.123 12.077 ( -5.381 -10.313 -0.000) 11.632 14.352 ( -13.048 -15.485 0.000) 20.250 14.872 ( 6.299 5.080 -0.000) 8.092 56.576 ( 0.532 0.838 -0.000) 0.992 ======================= Grid point 315 (250/415) ======================= q-point: (-0.32 -0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 683 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.726 ( 0.000 -8.813 -34.452) 35.561 4.924 ( -0.000 -46.266 -25.697) 52.924 6.517 ( 0.000 -22.969 -46.664) 52.010 8.085 ( -0.000 -9.123 14.859) 17.436 8.680 ( 0.000 25.242 13.151) 28.462 10.395 ( -0.000 -4.786 -6.456) 8.037 10.837 ( -0.000 -11.031 15.690) 19.180 11.814 ( -0.000 -2.495 14.958) 15.164 12.231 ( -0.000 2.915 22.050) 22.242 13.481 ( 0.000 2.137 2.980) 3.667 15.431 ( 0.000 20.340 -7.434) 21.656 56.599 ( 0.000 0.521 -1.225) 1.331 ======================= Grid point 316 (251/415) ======================= q-point: ( 0.18 -0.62 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.374 ( -4.432 3.288 4.336) 7.018 6.781 ( 2.014 -9.121 2.374) 9.637 7.285 ( -2.133 64.800 0.435) 64.836 9.011 ( -1.144 -14.579 -2.450) 14.828 9.923 ( 6.271 -4.498 -2.049) 7.985 9.943 ( -6.992 -17.630 -6.508) 20.051 11.434 ( 3.041 -2.807 -17.892) 18.365 11.514 ( -0.031 5.834 2.016) 6.173 12.626 ( 2.473 10.816 -8.259) 13.831 13.179 ( -2.066 -2.291 17.029) 17.306 13.648 ( 2.101 -3.478 12.026) 12.694 56.564 ( -0.100 -0.469 0.022) 0.480 ======================= Grid point 317 (252/415) ======================= q-point: ( 0.38 -0.27 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.426 ( -15.562 31.587 6.486) 35.805 4.846 ( -34.245 29.812 14.098) 47.541 8.262 ( 6.256 -7.296 -17.884) 20.303 8.670 ( -1.971 0.033 -11.291) 11.461 9.498 ( 2.365 23.291 11.030) 25.880 9.647 ( -0.608 -3.471 11.299) 11.835 10.117 ( 2.144 -15.888 16.337) 22.890 11.278 ( 7.256 -2.470 0.134) 7.666 12.078 ( -2.636 -12.030 2.536) 12.573 13.613 ( -21.766 -23.615 -4.479) 32.426 15.169 ( 7.829 6.424 -9.044) 13.578 56.581 ( 0.299 1.145 -0.036) 1.184 ======================= Grid point 318 (253/415) ======================= q-point: (-0.12 0.23 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.304 ( 26.806 -0.000 2.950) 26.968 4.322 ( 37.387 -0.000 3.554) 37.555 6.911 ( 53.309 -0.000 16.028) 55.667 7.970 ( -11.565 0.000 -6.522) 13.278 9.663 ( -1.957 -0.000 6.695) 6.975 10.281 ( -2.979 0.000 2.102) 3.646 11.012 ( -10.059 0.000 11.816) 15.518 11.887 ( -10.123 0.000 1.090) 10.182 13.218 ( -14.354 0.000 -11.524) 18.408 13.355 ( 4.205 -0.000 -1.169) 4.364 15.358 ( -11.323 0.000 -15.777) 19.419 56.560 ( 0.519 -0.000 0.190) 0.552 ======================= Grid point 321 (254/415) ======================= q-point: (-0.22 0.45 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.008 ( 13.193 -42.933 -8.300) 45.675 6.103 ( 23.104 -3.159 -17.399) 29.095 7.137 ( -8.581 4.939 -3.601) 10.536 9.311 ( 0.192 5.993 10.536) 12.123 9.838 ( 12.751 2.300 24.486) 27.703 9.881 ( -13.278 15.398 7.647) 21.723 10.419 ( -13.631 6.304 16.456) 22.279 11.525 ( -9.446 -10.316 4.975) 14.846 11.751 ( -17.770 -3.324 -10.732) 21.023 13.648 ( 1.822 -7.246 -5.466) 9.258 14.613 ( 5.093 2.210 -20.636) 21.370 56.602 ( 0.920 0.413 -0.270) 1.044 ======================= Grid point 325 (255/415) ======================= q-point: ( 0.17 0.16 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.709 ( 14.279 13.707 17.005) 26.095 6.286 ( 26.305 30.692 11.188) 41.942 7.394 ( 9.736 4.296 4.848) 11.694 7.855 ( 3.794 33.231 -0.280) 33.448 9.033 ( 4.912 -15.802 -3.988) 17.022 10.388 ( -2.129 -7.319 11.524) 13.817 11.318 ( -0.177 -2.842 3.409) 4.442 11.632 ( -6.311 -14.830 14.030) 21.368 12.550 ( 1.300 3.617 2.965) 4.854 13.671 ( -3.397 3.978 -23.075) 23.661 14.475 ( -5.537 -10.116 -21.688) 24.564 56.561 ( -0.125 -0.174 0.435) 0.485 ======================= Grid point 326 (256/415) ======================= q-point: (-0.33 -0.34 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.856 ( -2.068 -26.825 -18.261) 32.517 6.162 ( -17.026 -5.890 -27.550) 32.918 7.100 ( 8.600 -14.316 6.184) 17.809 8.069 ( -11.915 12.778 -10.017) 20.139 8.885 ( -11.604 13.058 1.830) 17.565 10.340 ( -6.522 -1.782 22.225) 23.231 10.637 ( -1.990 -5.953 36.746) 37.278 11.036 ( -7.369 -8.915 -6.730) 13.382 11.591 ( -6.425 -13.951 12.468) 19.783 13.609 ( -0.598 5.461 -4.618) 7.177 15.040 ( 19.718 10.257 -12.608) 25.553 56.627 ( 0.679 0.923 -0.868) 1.437 ======================= Grid point 329 (257/415) ======================= q-point: (-0.43 -0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 675 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.495 ( 0.000 -2.011 -24.813) 24.894 5.967 ( -0.000 -12.415 -8.154) 14.854 7.482 ( 0.000 -0.032 -18.609) 18.609 7.930 ( 0.000 19.151 10.219) 21.707 8.477 ( -0.000 -46.602 -5.155) 46.886 10.424 ( -0.000 0.362 7.831) 7.839 10.928 ( -0.000 -14.121 1.294) 14.180 11.424 ( -0.000 -2.483 26.314) 26.431 11.910 ( -0.000 -7.929 13.346) 15.524 13.333 ( 0.000 7.014 2.887) 7.585 15.178 ( 0.000 22.616 -11.959) 25.583 56.608 ( 0.000 0.805 -0.916) 1.220 ======================= Grid point 331 (258/415) ======================= q-point: ( 0.27 -0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 710 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.675 ( -18.637 32.696 0.000) 37.634 4.057 ( -43.022 28.017 0.000) 51.340 8.274 ( -4.244 68.277 0.000) 68.408 8.601 ( 7.484 -2.009 -0.000) 7.749 8.923 ( -1.603 -9.110 -0.000) 9.250 9.651 ( 0.375 -9.387 -0.000) 9.394 10.280 ( 3.891 -17.019 -0.000) 17.458 11.406 ( 5.722 -6.477 -0.000) 8.643 12.261 ( -0.801 -8.064 -0.000) 8.103 14.192 ( -21.231 -22.429 0.000) 30.884 15.222 ( 6.500 -2.799 -0.000) 7.077 56.560 ( 0.178 0.823 0.000) 0.843 ======================= Grid point 332 (259/415) ======================= q-point: (-0.23 0.23 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.920 ( 23.639 -55.584 -0.000) 60.402 4.355 ( 39.743 -6.743 -0.000) 40.311 6.771 ( 52.494 -3.469 -0.000) 52.609 8.029 ( -12.213 1.180 0.000) 12.270 9.532 ( -2.238 5.519 0.000) 5.955 10.196 ( -4.826 5.975 0.000) 7.681 10.763 ( -9.521 10.295 0.000) 14.023 11.965 ( -9.360 -7.479 0.000) 11.981 12.677 ( -0.113 30.927 0.000) 30.927 13.946 ( -6.484 -23.277 -0.000) 24.163 15.531 ( -11.959 -0.134 0.000) 11.960 56.556 ( 0.548 0.153 -0.000) 0.569 ======================= Grid point 335 (260/415) ======================= q-point: (-0.33 0.44 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1262 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.238 ( 14.120 -54.454 -6.273) 56.604 6.536 ( 26.732 -11.821 -9.662) 30.785 7.064 ( -12.776 8.672 -2.730) 15.680 8.963 ( 6.099 12.442 5.809) 15.025 9.206 ( -6.794 15.382 12.137) 20.738 9.499 ( -4.790 3.072 9.668) 11.219 10.018 ( -9.901 6.849 8.091) 14.505 11.708 ( -8.561 -13.954 2.735) 16.597 11.905 ( -9.987 4.124 -3.971) 11.512 13.976 ( -5.776 -12.395 -5.017) 14.566 14.883 ( 1.652 4.129 -11.155) 12.009 56.594 ( 0.918 0.694 -0.132) 1.159 ======================= Grid point 337 (261/415) ======================= q-point: (-0.63 0.30 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.625 ( 3.625 -8.285 9.528) 13.137 6.680 ( -3.967 5.114 9.156) 11.213 8.378 ( 18.857 -10.657 -12.172) 24.845 8.810 ( 8.495 0.895 -0.988) 8.599 9.375 ( -8.944 13.249 -5.908) 17.042 9.911 ( -0.830 -8.764 0.222) 8.806 10.879 ( -3.250 2.261 -28.466) 28.740 11.441 ( 1.363 -0.961 -9.856) 9.996 12.555 ( 1.230 3.006 -9.783) 10.308 13.646 ( -3.199 -1.818 25.470) 25.734 13.988 ( 0.507 4.750 25.072) 25.523 56.555 ( -0.143 -0.142 0.054) 0.209 ======================= Grid point 338 (262/415) ======================= q-point: (-0.13 -0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.575 ( -5.805 0.000 -36.333) 36.793 2.917 ( -21.090 0.000 -38.330) 43.749 4.898 ( -11.151 0.000 -65.169) 66.116 8.203 ( 4.256 -0.000 13.614) 14.264 9.752 ( -4.624 0.000 -6.128) 7.677 9.998 ( -3.204 -0.000 11.658) 12.090 11.065 ( -13.064 0.000 13.476) 18.769 12.016 ( 0.019 -0.000 12.456) 12.456 13.039 ( 1.162 -0.000 33.632) 33.653 13.428 ( 1.169 0.000 -6.990) 7.087 15.689 ( 13.078 -0.000 -2.342) 13.286 56.582 ( 0.088 0.000 -1.261) 1.264 ======================= Grid point 340 (263/415) ======================= q-point: ( 0.57 -0.35 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.935 ( -8.598 19.668 4.333) 21.898 6.660 ( -27.498 8.406 -16.880) 33.342 7.671 ( 1.216 10.233 -1.365) 10.395 7.979 ( 3.828 -36.226 -11.255) 38.127 8.912 ( 0.848 -9.219 -1.378) 9.360 9.920 ( -3.555 -1.340 18.999) 19.376 10.094 ( -1.158 -8.208 28.956) 30.119 11.353 ( -6.233 -6.396 -4.881) 10.178 11.685 ( -6.370 -14.658 7.539) 17.671 13.538 ( -7.723 5.263 -1.736) 9.505 15.099 ( 14.232 10.244 -13.319) 22.020 56.618 ( 0.681 1.238 -0.484) 1.493 ======================= Grid point 343 (264/415) ======================= q-point: ( 0.47 -0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 683 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.671 ( 0.000 17.470 -4.620) 18.071 5.745 ( 0.000 13.807 20.368) 24.607 7.652 ( 0.000 -0.171 -5.455) 5.458 7.875 ( 0.000 2.039 -22.034) 22.128 9.588 ( -0.000 -37.183 -4.715) 37.481 10.191 ( -0.000 -1.911 14.369) 14.496 10.920 ( -0.000 -5.227 27.824) 28.310 11.222 ( -0.000 -9.285 -4.478) 10.308 11.912 ( -0.000 -10.203 5.938) 11.805 13.072 ( -0.000 4.420 7.698) 8.877 15.038 ( 0.000 18.196 -15.942) 24.192 56.603 ( 0.000 1.023 -0.452) 1.118 ======================= Grid point 347 (265/415) ======================= q-point: (-0.13 -0.42 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 699 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.123 ( -0.946 0.000 -22.142) 22.162 5.457 ( -2.469 0.000 -31.445) 31.542 7.234 ( 4.562 -0.000 9.730) 10.746 8.270 ( -34.506 0.000 -26.467) 43.487 10.041 ( -10.095 0.000 8.793) 13.387 10.464 ( -9.888 0.000 1.178) 9.958 11.172 ( -3.911 -0.000 15.686) 16.167 11.411 ( -4.275 -0.000 37.693) 37.935 11.583 ( -3.549 -0.000 11.704) 12.230 13.520 ( 4.090 -0.000 -5.833) 7.124 14.500 ( 26.685 -0.000 -12.987) 29.678 56.613 ( 0.599 -0.000 -0.954) 1.127 ======================= Grid point 349 (266/415) ======================= q-point: (-0.44 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.736 ( 6.553 3.296 -0.000) 7.335 6.937 ( 3.663 0.748 -0.000) 3.739 7.548 ( 13.493 -55.807 -0.000) 57.415 8.446 ( -6.825 24.138 0.000) 25.084 8.894 ( -5.032 7.565 0.000) 9.086 9.427 ( -0.672 -7.446 -0.000) 7.477 9.821 ( -6.644 3.351 0.000) 7.441 11.754 ( -3.086 13.266 0.000) 13.620 11.962 ( -6.756 -12.314 0.000) 14.045 14.303 ( -8.774 -12.293 0.000) 15.103 14.907 ( -0.545 4.609 0.000) 4.641 56.580 ( 0.714 0.729 -0.000) 1.021 ======================= Grid point 351 (267/415) ======================= q-point: ( 0.26 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1262 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.507 ( -4.493 0.528 9.003) 10.076 6.579 ( 2.203 -5.038 0.087) 5.500 8.393 ( 7.373 33.062 5.129) 34.260 8.800 ( 0.322 -5.306 -3.351) 6.284 9.264 ( 18.284 0.750 -6.328) 19.362 10.085 ( -9.814 -9.720 0.421) 13.820 11.400 ( -2.257 0.297 -20.325) 20.452 11.587 ( 2.472 3.111 -1.085) 4.119 12.740 ( 3.501 5.958 -12.952) 14.680 13.203 ( -4.729 -2.499 17.810) 18.596 13.534 ( -1.683 -5.651 13.304) 14.552 56.558 ( -0.203 -0.328 0.117) 0.403 ======================= Grid point 352 (268/415) ======================= q-point: (-0.24 -0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.769 ( -16.778 -5.734 -37.149) 41.163 3.889 ( -3.723 -46.446 -29.750) 55.282 6.262 ( -4.695 -7.120 -55.541) 56.192 7.921 ( 5.141 -2.164 15.531) 16.502 9.281 ( -6.306 25.169 10.523) 28.000 10.218 ( -4.368 -16.233 -2.606) 17.011 10.778 ( -9.196 -1.850 15.551) 18.161 11.779 ( -2.180 -3.714 14.677) 15.296 12.250 ( 0.899 0.619 35.924) 35.940 13.535 ( 1.316 3.200 -4.735) 5.864 15.643 ( 12.172 10.572 -4.797) 16.821 56.607 ( 0.159 0.368 -1.389) 1.446 ======================= Grid point 354 (269/415) ======================= q-point: ( 0.46 -0.35 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.336 ( -14.731 26.900 3.841) 30.909 6.215 ( -38.054 30.100 6.995) 49.021 7.957 ( 8.997 -6.986 -18.570) 21.785 8.636 ( 0.868 -4.035 -8.848) 9.764 9.276 ( 9.387 -23.317 7.897) 26.347 9.647 ( -3.507 -6.851 11.599) 13.920 9.811 ( -0.193 -11.130 15.848) 19.367 11.338 ( -0.186 11.940 0.416) 11.948 11.883 ( -5.127 -13.919 2.711) 15.079 13.640 ( -17.988 -12.424 -3.395) 22.124 15.145 ( 10.491 8.301 -8.664) 15.938 56.598 ( 0.551 1.279 -0.150) 1.401 ======================= Grid point 356 (270/415) ======================= q-point: ( 0.16 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.991 ( -14.021 10.677 -7.693) 19.229 6.704 ( -15.710 39.216 -1.950) 42.291 7.364 ( 7.630 1.089 4.828) 9.095 8.245 ( -27.935 23.214 -15.231) 39.386 9.139 ( -6.417 -16.378 1.473) 17.652 10.301 ( 6.804 -9.458 -11.492) 16.365 11.235 ( 8.010 -6.884 -20.117) 22.720 11.568 ( 0.039 -8.244 0.995) 8.303 12.551 ( 1.149 5.078 -6.066) 7.994 13.612 ( 2.143 2.575 22.593) 22.840 14.352 ( 6.883 -5.384 25.516) 26.971 56.560 ( 0.023 -0.252 -0.279) 0.377 ======================= Grid point 357 (271/415) ======================= q-point: ( 0.36 -0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 675 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.059 ( 0.000 31.616 9.248) 32.941 4.788 ( 0.000 24.447 29.831) 38.569 8.069 ( -0.000 -13.381 -15.604) 20.556 8.216 ( 0.000 9.470 -19.869) 22.010 9.780 ( 0.000 20.042 8.645) 21.827 9.939 ( -0.000 -4.061 14.755) 15.304 10.587 ( -0.000 -17.143 23.412) 29.018 11.472 ( -0.000 -4.989 -4.733) 6.877 12.047 ( -0.000 -9.788 1.407) 9.889 13.072 ( -0.000 -20.426 4.690) 20.957 15.084 ( 0.000 9.996 -15.794) 18.692 56.586 ( 0.000 1.055 -0.061) 1.057 ======================= Grid point 358 (272/415) ======================= q-point: (-0.14 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.200 ( 17.724 -0.000 -4.514) 18.289 5.569 ( 26.575 -0.000 -9.886) 28.355 7.369 ( -9.657 0.000 -6.580) 11.685 9.077 ( 28.777 -0.000 21.681) 36.031 9.755 ( -1.123 -0.000 16.296) 16.335 10.204 ( -5.816 0.000 6.494) 8.717 10.814 ( -15.039 0.000 16.523) 22.343 11.569 ( -8.821 0.000 5.782) 10.547 12.179 ( -21.647 0.000 -18.153) 28.251 13.475 ( 4.390 -0.000 -3.824) 5.822 14.602 ( -2.177 0.000 -23.708) 23.808 56.589 ( 0.790 -0.000 -0.066) 0.793 ======================= Grid point 361 (273/415) ======================= q-point: (-0.24 -0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.031 ( 3.006 -39.023 -19.792) 43.859 6.156 ( 3.021 -3.729 -31.120) 31.488 7.010 ( 1.163 4.703 7.157) 8.642 8.672 ( -25.175 7.264 -16.183) 30.797 9.527 ( -12.464 21.301 9.759) 26.539 10.383 ( -7.641 -7.874 22.870) 25.365 10.637 ( -6.763 -1.871 35.401) 36.090 11.046 ( -5.127 -2.947 -4.188) 7.246 11.453 ( -6.363 -10.957 12.083) 17.509 13.639 ( 2.903 0.331 -5.586) 6.304 14.771 ( 21.256 4.248 -15.818) 26.834 56.627 ( 0.823 0.508 -0.824) 1.270 ======================= Grid point 365 (274/415) ======================= q-point: ( 0.16 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.292 ( 3.783 4.993 4.579) 7.760 6.784 ( 2.211 -0.712 -5.295) 5.782 7.270 ( -1.094 54.010 2.727) 54.090 8.935 ( 8.192 -8.180 6.474) 13.264 9.434 ( 25.402 -9.946 1.932) 27.348 10.287 ( -13.964 -13.416 5.612) 20.162 11.461 ( 2.972 2.874 3.123) 5.181 11.547 ( -6.100 -2.282 6.607) 9.277 12.650 ( 0.140 9.934 3.692) 10.599 13.180 ( -1.841 -1.814 -12.786) 13.045 13.735 ( -6.413 -4.223 -15.377) 17.187 56.563 ( -0.067 -0.433 0.167) 0.469 ======================= Grid point 366 (275/415) ======================= q-point: (-0.34 -0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.612 ( -16.661 -3.515 -32.790) 36.948 5.426 ( -1.643 -40.790 -20.346) 45.612 7.433 ( -0.008 -5.423 -36.652) 37.051 7.689 ( 8.359 -11.979 12.416) 19.171 8.513 ( -9.829 21.723 11.429) 26.441 10.482 ( -5.529 -0.769 15.001) 16.006 10.627 ( -3.954 -16.128 -3.184) 16.908 11.382 ( -1.357 -2.836 32.551) 32.702 11.730 ( -1.590 -10.325 19.193) 21.852 13.509 ( 0.340 8.397 -4.135) 9.366 15.491 ( 10.045 16.210 -8.032) 20.693 56.623 ( 0.219 0.785 -1.212) 1.460 ======================= Grid point 367 (276/415) ======================= q-point: (-0.14 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 415 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.677 ( 30.830 0.000 -0.000) 30.830 3.456 ( 41.971 0.000 -0.000) 41.971 5.586 ( 61.089 0.000 -0.000) 61.089 8.264 ( -10.382 -0.000 0.000) 10.382 9.608 ( 0.336 0.000 -0.000) 0.336 10.320 ( -2.512 -0.000 0.000) 2.512 11.055 ( -7.956 -0.000 0.000) 7.956 12.084 ( -9.936 -0.000 0.000) 9.936 13.280 ( 4.148 0.000 -0.000) 4.148 13.609 ( -12.372 -0.000 0.000) 12.372 15.757 ( -10.364 -0.000 0.000) 10.364 56.549 ( 0.366 0.000 -0.000) 0.366 ======================= Grid point 368 (277/415) ======================= q-point: ( 0.36 -0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.707 ( -20.089 28.715 0.000) 35.045 5.494 ( -41.572 28.217 0.000) 50.243 8.343 ( 10.016 -5.689 -0.000) 11.519 8.785 ( 1.132 -4.737 -0.000) 4.871 9.275 ( 3.460 10.769 0.000) 11.311 9.590 ( -4.485 8.671 0.000) 9.762 9.892 ( 2.142 -13.321 -0.000) 13.492 11.158 ( 3.844 -2.383 -0.000) 4.523 12.110 ( -3.274 -10.263 -0.000) 10.772 14.109 ( -20.562 -24.581 0.000) 32.047 15.097 ( 8.925 4.962 -0.000) 10.212 56.574 ( 0.349 1.046 0.000) 1.102 ======================= Grid point 371 (278/415) ======================= q-point: ( 0.26 -0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 683 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.126 ( 0.000 36.196 9.796) 37.498 3.572 ( 0.000 33.040 26.374) 42.276 8.051 ( 0.000 54.583 -10.790) 55.639 8.685 ( -0.000 -14.733 -12.042) 19.028 8.932 ( 0.000 17.491 9.627) 19.965 9.782 ( -0.000 -7.347 10.206) 12.575 10.554 ( -0.000 -19.645 16.859) 25.887 11.616 ( 0.000 -0.858 -3.042) 3.161 12.241 ( -0.000 -9.055 -0.419) 9.065 13.570 ( -0.000 -26.070 0.180) 26.071 15.262 ( 0.000 -0.212 -10.556) 10.558 56.565 ( 0.000 0.851 0.089) 0.856 ======================= Grid point 372 (279/415) ======================= q-point: (-0.24 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.788 ( 19.252 -45.140 -2.455) 49.135 5.793 ( 32.714 -4.264 -6.813) 33.687 7.454 ( -12.476 3.717 -4.844) 13.890 8.664 ( 31.806 0.929 14.465) 34.953 9.431 ( -5.150 5.372 8.408) 11.228 9.965 ( -9.415 10.365 4.941) 14.849 10.436 ( -12.076 9.990 8.172) 17.675 11.611 ( -9.685 -11.682 3.525) 15.579 12.322 ( -15.079 12.070 -7.719) 20.800 13.741 ( -0.735 -15.678 -4.351) 16.287 14.977 ( -5.173 1.212 -12.653) 13.723 56.586 ( 0.915 0.326 -0.043) 0.973 ======================= Grid point 374 (280/415) ======================= q-point: (-0.55 0.21 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.239 ( 10.378 -13.058 -4.375) 17.244 6.927 ( -1.084 5.633 15.852) 16.858 7.592 ( 23.590 -14.089 -17.691) 32.680 8.838 ( 4.076 10.804 2.490) 11.813 8.996 ( 10.330 -40.003 -3.092) 41.431 10.084 ( -7.769 11.072 -8.714) 16.090 11.091 ( -8.289 6.510 -26.802) 28.800 11.440 ( 3.032 4.561 -3.611) 6.560 12.591 ( 0.606 1.133 -8.267) 8.366 13.668 ( -3.797 -2.913 24.596) 25.057 14.177 ( -2.347 10.462 25.084) 27.280 56.557 ( -0.129 0.017 -0.120) 0.177 ======================= Grid point 375 (281/415) ======================= q-point: (-0.35 -0.43 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1262 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.219 ( -2.417 -20.974 -13.618) 25.123 6.836 ( -0.026 -6.024 -4.780) 7.691 6.938 ( 9.490 -20.413 -19.420) 29.730 8.475 ( -24.665 25.086 4.118) 35.421 9.017 ( -4.795 10.374 3.740) 12.025 9.968 ( -5.158 -1.449 20.555) 21.242 10.040 ( -3.409 -2.434 26.754) 27.079 11.320 ( -8.808 -10.356 -5.225) 14.565 11.526 ( -8.194 -14.569 7.398) 18.279 13.714 ( -2.238 1.399 -3.256) 4.192 14.974 ( 15.408 6.787 -14.521) 22.234 56.626 ( 0.905 0.971 -0.535) 1.432 ======================= Grid point 380 (282/415) ======================= q-point: (-0.45 -0.22 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.148 ( -18.035 9.590 -18.920) 27.842 5.972 ( -1.077 4.666 5.885) 7.587 7.744 ( 2.849 12.002 -0.195) 12.337 7.841 ( 1.062 -11.389 -12.389) 16.862 8.707 ( -1.961 -35.708 -11.878) 37.683 10.169 ( -2.733 -2.304 17.455) 17.818 10.770 ( 0.115 -8.362 33.520) 34.547 11.024 ( -3.742 -12.553 -4.369) 13.808 11.682 ( -2.852 -13.668 10.719) 17.602 13.329 ( -2.044 13.504 0.117) 13.659 15.337 ( 7.941 17.091 -11.218) 21.931 56.624 ( 0.248 1.152 -0.799) 1.423 ======================= Grid point 385 (283/415) ======================= q-point: ( 0.15 -0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 375 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( 0.000 37.145 0.000) 37.145 2.480 ( 0.000 38.840 0.000) 38.840 6.496 ( 0.000 90.033 0.000) 90.033 8.761 ( 0.000 1.607 0.000) 1.607 9.087 ( -0.000 -11.478 -0.000) 11.478 9.869 ( -0.000 -10.867 -0.000) 10.867 10.739 ( -0.000 -17.380 -0.000) 17.380 11.627 ( 0.000 3.068 0.000) 3.068 12.411 ( -0.000 -6.114 -0.000) 6.114 13.992 ( -0.000 -13.447 -0.000) 13.447 15.505 ( -0.000 -10.841 -0.000) 10.841 56.550 ( 0.000 0.511 0.000) 0.511 ======================= Grid point 386 (284/415) ======================= q-point: (-0.35 0.35 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.983 ( 16.632 -62.865 -0.000) 65.028 6.004 ( 33.918 -8.312 -0.000) 34.922 7.400 ( -15.455 6.751 0.000) 16.865 8.472 ( 28.562 2.945 -0.000) 28.714 9.193 ( -6.122 8.932 0.000) 10.829 9.651 ( -11.810 12.267 0.000) 17.028 10.128 ( -9.666 9.876 0.000) 13.820 11.843 ( -8.049 -13.029 0.000) 15.314 12.107 ( -5.296 14.229 0.000) 15.182 14.145 ( -4.433 -15.486 -0.000) 16.108 15.074 ( -7.979 2.176 0.000) 8.270 56.578 ( 0.812 0.501 -0.000) 0.954 ======================= Grid point 387 (285/415) ======================= q-point: (-0.15 -0.29 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 699 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.407 ( -5.189 0.000 -31.820) 32.241 4.161 ( -23.133 0.000 -36.526) 43.235 6.396 ( -16.342 0.000 -50.674) 53.243 7.777 ( 7.216 -0.000 14.944) 16.595 9.865 ( -7.934 0.000 11.477) 13.953 10.014 ( -8.899 0.000 -4.880) 10.149 11.047 ( -15.799 0.000 16.504) 22.847 11.755 ( -1.186 -0.000 13.293) 13.346 12.237 ( 1.400 -0.000 39.608) 39.633 13.531 ( 2.631 -0.000 -6.538) 7.047 15.388 ( 22.633 -0.000 -4.479) 23.072 56.606 ( 0.290 0.000 -1.339) 1.370 ======================= Grid point 388 (286/415) ======================= q-point: (-0.65 0.21 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.542 ( -3.619 -6.112 -0.876) 7.157 6.505 ( 3.940 3.897 7.071) 8.984 8.225 ( 22.974 -12.871 -14.340) 29.985 8.478 ( 15.537 10.627 9.708) 21.180 9.579 ( -6.139 0.908 -1.026) 6.290 9.977 ( -4.249 -2.066 -0.670) 4.772 11.498 ( -0.382 0.303 -12.744) 12.753 11.563 ( -1.568 1.252 -9.491) 9.701 12.743 ( 4.880 2.462 -9.595) 11.043 13.254 ( -5.248 -1.722 15.614) 16.562 13.547 ( -4.067 2.419 15.564) 16.267 56.559 ( -0.268 -0.098 0.019) 0.286 ======================= Grid point 389 (287/415) ======================= q-point: ( 0.55 -0.44 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.123 ( -14.073 20.357 -0.340) 24.750 7.411 ( -11.895 1.580 -13.204) 17.841 7.688 ( -0.410 9.341 -0.734) 9.379 8.095 ( 2.920 -37.581 -5.128) 38.041 8.808 ( 1.485 1.996 5.034) 5.615 9.613 ( -1.777 -3.278 17.308) 17.705 9.690 ( -4.613 -4.023 11.361) 12.905 11.551 ( -5.456 1.179 -2.581) 6.150 11.707 ( -7.258 -14.726 3.497) 16.785 13.779 ( -11.715 -4.352 -2.440) 12.733 15.083 ( 11.509 7.068 -9.052) 16.259 56.610 ( 0.813 1.194 -0.215) 1.461 ======================= Grid point 391 (288/415) ======================= q-point: ( 0.25 -0.58 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1262 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.443 ( -9.864 8.731 5.347) 14.217 6.826 ( 6.468 -8.254 11.007) 15.203 8.062 ( -21.159 25.346 -11.584) 34.991 8.785 ( 4.673 3.909 -2.422) 6.556 9.332 ( -16.439 8.739 -3.899) 19.021 9.898 ( 9.803 -8.004 -7.378) 14.649 10.938 ( 6.402 -4.042 -27.888) 28.898 11.495 ( -2.235 -4.525 -3.726) 6.273 12.583 ( 1.351 0.829 -9.460) 9.592 13.615 ( 1.331 1.171 24.648) 24.712 14.111 ( 4.207 -6.063 26.366) 27.379 56.555 ( 0.003 -0.140 -0.031) 0.143 ======================= Grid point 394 (289/415) ======================= q-point: ( 0.45 -0.22 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.881 ( -15.894 29.834 1.403) 33.833 5.364 ( -7.883 22.673 19.059) 30.650 7.820 ( 2.901 -6.273 -13.527) 15.191 8.339 ( -0.545 0.630 -19.667) 19.685 9.609 ( 3.200 -29.228 0.185) 29.403 9.866 ( -1.156 -3.690 16.721) 17.162 10.327 ( 0.778 -10.697 27.040) 29.089 11.318 ( -0.074 -5.925 -3.440) 6.852 11.818 ( -2.463 -14.824 5.457) 15.988 13.033 ( -8.168 5.753 2.704) 10.350 15.274 ( 5.713 12.878 -12.380) 18.755 56.609 ( 0.229 1.339 -0.339) 1.400 ======================= Grid point 398 (290/415) ======================= q-point: (-0.15 -0.51 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.475 ( 6.724 -0.000 -16.448) 17.769 5.966 ( 11.341 -0.000 -25.566) 27.968 7.071 ( -1.749 0.000 2.620) 3.151 9.251 ( -22.076 0.000 -7.484) 23.310 10.055 ( -9.814 0.000 8.980) 13.302 10.401 ( -6.978 0.000 20.459) 21.616 10.789 ( -6.360 -0.000 33.771) 34.365 11.118 ( -8.105 0.000 -6.820) 10.593 11.442 ( -5.998 0.000 10.490) 12.083 13.553 ( 4.452 -0.000 -5.448) 7.035 14.412 ( 17.605 -0.000 -21.091) 27.473 56.615 ( 0.828 -0.000 -0.625) 1.037 ======================= Grid point 401 (291/415) ======================= q-point: (-0.26 -0.30 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.530 ( -1.850 -39.981 -27.271) 48.432 4.964 ( -22.194 -3.247 -35.759) 42.212 7.367 ( -2.859 0.091 -28.608) 28.751 7.489 ( 3.070 -1.250 2.728) 4.293 9.228 ( -11.724 24.482 11.586) 29.513 10.328 ( -9.270 -19.852 9.275) 23.792 10.731 ( -10.936 3.015 5.908) 12.790 11.363 ( -0.739 -0.941 39.006) 39.025 11.567 ( -2.479 -8.642 17.495) 19.670 13.620 ( 2.179 4.203 -6.110) 7.729 15.434 ( 19.995 7.377 -7.290) 22.525 56.630 ( 0.430 0.478 -1.300) 1.450 ======================= Grid point 402 (292/415) ======================= q-point: ( 0.24 0.20 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.385 ( 0.365 8.237 9.399) 12.503 6.638 ( 2.360 -7.533 -10.797) 13.374 7.936 ( 18.447 18.241 14.678) 29.808 8.730 ( 16.268 -13.710 -7.571) 22.582 9.070 ( 2.326 33.645 3.389) 33.895 10.216 ( -7.414 -14.308 3.725) 16.540 11.456 ( 4.133 3.498 5.343) 7.607 11.617 ( -6.968 -3.484 10.318) 12.929 12.742 ( 4.205 2.940 3.762) 6.362 13.229 ( -4.693 0.506 -12.358) 13.229 13.701 ( -5.869 -10.443 -17.167) 20.934 56.560 ( -0.227 -0.197 0.172) 0.347 ======================= Grid point 403 (293/415) ======================= q-point: ( 0.44 -0.44 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 710 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.656 ( -19.577 23.808 0.000) 30.824 6.875 ( -35.426 29.500 0.000) 46.100 7.950 ( 16.394 -7.239 -0.000) 17.921 8.706 ( 0.161 -0.317 -0.000) 0.356 8.946 ( 10.549 -25.171 -0.000) 27.292 9.600 ( -4.298 -14.289 -0.000) 14.921 9.677 ( -2.099 -6.853 -0.000) 7.168 11.344 ( -1.054 17.355 0.000) 17.387 11.965 ( -5.664 -12.370 -0.000) 13.605 14.044 ( -17.185 -17.199 0.000) 24.313 15.038 ( 9.586 6.681 -0.000) 11.684 56.588 ( 0.586 1.106 0.000) 1.252 ======================= Grid point 407 (294/415) ======================= q-point: (-0.16 0.27 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 699 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.818 ( 24.467 -0.000 -0.176) 24.468 5.057 ( 35.760 -0.000 -1.785) 35.805 7.732 ( -12.009 0.000 -5.851) 13.358 7.894 ( 44.401 -0.000 15.647) 47.078 9.596 ( -4.579 0.000 7.289) 8.608 10.203 ( -4.927 0.000 3.555) 6.076 10.799 ( -11.248 0.000 9.994) 15.047 11.678 ( -10.578 0.000 2.451) 10.858 12.897 ( -18.113 0.000 -11.027) 21.205 13.445 ( 4.676 -0.000 -1.882) 5.041 15.139 ( -9.859 0.000 -14.315) 17.381 56.573 ( 0.749 -0.000 0.075) 0.753 ======================= Grid point 408 (295/415) ======================= q-point: ( 0.34 -0.23 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.092 ( -17.192 35.816 4.433) 39.975 4.367 ( -12.328 31.697 19.153) 39.032 8.356 ( 3.135 -10.906 -15.256) 19.014 8.634 ( -1.486 6.066 -15.580) 16.786 9.534 ( 1.292 26.900 12.052) 29.505 9.641 ( -0.176 -6.087 12.636) 14.027 10.152 ( 1.247 -17.027 15.611) 23.134 11.446 ( 8.487 -4.324 -1.541) 9.648 12.034 ( -1.715 -12.758 1.992) 13.026 13.210 ( -16.823 -22.471 -1.285) 28.100 15.295 ( 4.452 6.848 -8.577) 11.844 56.585 ( 0.175 1.241 -0.043) 1.254 ======================= Grid point 412 (296/415) ======================= q-point: (-0.26 -0.52 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.246 ( 10.484 -39.936 -12.944) 43.271 6.517 ( 17.731 -2.903 -23.235) 29.371 6.988 ( -6.192 5.462 0.099) 8.257 9.197 ( -10.593 6.399 4.395) 13.133 9.583 ( -15.435 20.892 8.677) 27.387 10.015 ( 2.432 -0.367 23.291) 23.421 10.165 ( -11.208 2.801 19.246) 22.447 11.321 ( -11.105 -8.236 -0.189) 13.827 11.434 ( -12.457 -11.445 0.123) 16.917 13.690 ( 2.327 -2.860 -4.484) 5.805 14.791 ( 12.293 2.988 -17.259) 21.399 56.622 ( 1.019 0.503 -0.460) 1.226 ======================= Grid point 415 (297/415) ======================= q-point: (-0.36 -0.30 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1262 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.700 ( -22.405 -0.710 -30.884) 38.162 5.835 ( -3.871 -24.506 -14.123) 28.548 7.276 ( 8.530 -16.895 7.396) 20.320 7.970 ( 0.664 11.614 -12.599) 17.148 8.642 ( -12.298 8.835 -2.357) 15.325 10.196 ( -7.278 -5.712 21.734) 23.621 10.612 ( -0.585 -6.666 37.533) 38.125 10.885 ( -7.310 -10.006 -6.077) 13.802 11.479 ( -4.681 -12.983 12.704) 18.758 13.598 ( -0.420 8.752 -3.769) 9.538 15.402 ( 15.877 11.873 -9.452) 21.963 56.639 ( 0.521 0.991 -0.997) 1.499 ======================= Grid point 421 (298/415) ======================= q-point: (-0.26 0.26 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.383 ( 22.427 -49.453 -0.000) 54.301 5.134 ( 37.905 -5.452 -0.000) 38.295 7.736 ( 43.532 -1.260 -0.000) 43.550 7.774 ( -13.102 2.205 0.000) 13.286 9.461 ( -4.856 5.421 0.000) 7.277 10.078 ( -7.022 7.879 0.000) 10.554 10.564 ( -10.333 10.566 0.000) 14.779 11.772 ( -9.839 -9.880 0.000) 13.943 12.616 ( -6.445 24.149 0.000) 24.995 13.841 ( -3.883 -21.990 -0.000) 22.330 15.291 ( -11.256 0.055 0.000) 11.256 56.569 ( 0.766 0.228 -0.000) 0.799 ======================= Grid point 422 (299/415) ======================= q-point: ( 0.24 -0.24 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.320 ( -28.190 34.792 0.000) 44.779 3.382 ( -10.183 36.356 0.000) 37.755 8.211 ( -2.052 70.482 0.000) 70.511 8.726 ( 5.144 -2.425 -0.000) 5.687 8.881 ( -2.587 -8.306 -0.000) 8.700 9.656 ( 0.140 -9.386 -0.000) 9.387 10.343 ( 2.251 -17.829 -0.000) 17.971 11.553 ( 7.818 -2.829 -0.000) 8.314 12.248 ( -0.440 -9.460 -0.000) 9.471 13.775 ( -18.129 -25.317 0.000) 31.139 15.332 ( 4.102 -1.545 -0.000) 4.384 56.563 ( 0.122 0.894 0.000) 0.903 ======================= Grid point 426 (300/415) ======================= q-point: (-0.37 0.48 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.471 ( 7.665 -45.489 -10.052) 47.212 6.803 ( -5.701 1.698 0.861) 6.011 7.070 ( 20.219 -7.410 -13.360) 25.342 8.877 ( -22.966 27.788 5.503) 36.467 8.963 ( -3.053 8.385 4.504) 9.996 9.548 ( 3.910 -1.476 18.246) 18.718 9.827 ( -9.099 3.791 7.912) 12.640 11.533 ( -8.852 -15.200 2.640) 17.787 11.682 ( -11.664 -4.800 -3.069) 12.981 13.858 ( -5.571 -5.978 -3.000) 8.705 14.996 ( 8.978 4.901 -9.836) 14.190 56.614 ( 1.011 0.889 -0.215) 1.363 ======================= Grid point 427 (301/415) ======================= q-point: (-0.17 -0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 380 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.516 ( -0.000 -0.000 -38.185) 38.185 2.685 ( -0.000 -0.000 -41.112) 41.112 4.793 ( -0.000 -0.000 -68.640) 68.640 8.247 ( 0.000 0.000 13.358) 13.358 9.702 ( -0.000 -0.000 -5.455) 5.455 9.964 ( 0.000 0.000 12.595) 12.595 10.921 ( 0.000 0.000 12.415) 12.415 12.016 ( 0.000 0.000 12.851) 12.851 13.049 ( 0.000 0.000 33.937) 33.937 13.440 ( -0.000 -0.000 -7.200) 7.200 15.827 ( -0.000 -0.000 -2.921) 2.921 56.583 ( -0.000 -0.000 -1.295) 1.295 ======================= Grid point 428 (302/415) ======================= q-point: ( 0.33 -0.67 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 639 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.663 ( 0.000 -0.000 13.784) 13.784 6.636 ( 0.000 -0.000 5.730) 5.730 8.571 ( 0.000 0.000 -7.783) 7.783 8.940 ( -0.000 0.000 -3.950) 3.950 9.240 ( 0.000 -0.000 -9.070) 9.070 9.904 ( 0.000 0.000 1.575) 1.575 10.846 ( 0.000 -0.000 -27.983) 27.983 11.454 ( 0.000 -0.000 -10.287) 10.287 12.567 ( 0.000 -0.000 -9.701) 9.701 13.613 ( 0.000 -0.000 25.568) 25.568 13.993 ( 0.000 -0.000 26.061) 26.061 56.554 ( 0.000 -0.000 0.057) 0.057 ======================= Grid point 430 (303/415) ======================= q-point: ( 0.53 -0.31 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.759 ( -10.432 22.906 3.290) 25.384 6.080 ( -25.485 15.060 -6.914) 30.399 7.733 ( 3.157 4.687 -5.895) 8.166 8.071 ( 4.960 -30.593 -13.827) 33.937 8.927 ( 0.631 -17.033 -5.558) 17.928 9.842 ( -3.898 -3.318 19.334) 20.000 10.082 ( -0.055 -10.352 29.689) 31.442 11.228 ( -6.002 -9.688 -4.703) 12.329 11.571 ( -4.869 -15.410 7.298) 17.732 13.401 ( -5.823 11.975 0.380) 13.321 15.363 ( 11.632 11.852 -10.590) 19.695 56.630 ( 0.527 1.363 -0.555) 1.563 ======================= Grid point 440 (304/415) ======================= q-point: (-0.17 -0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.097 ( -1.538 0.000 -27.138) 27.182 5.304 ( -13.492 0.000 -35.539) 38.014 7.343 ( 6.100 -0.000 12.389) 13.809 7.680 ( -22.723 0.000 -34.825) 41.583 9.826 ( -11.078 0.000 10.836) 15.496 10.241 ( -12.066 0.000 5.317) 13.186 11.012 ( -11.174 0.000 11.893) 16.318 11.366 ( -0.703 -0.000 41.308) 41.314 11.516 ( -3.045 -0.000 13.338) 13.681 13.599 ( 3.709 -0.000 -6.110) 7.147 15.035 ( 25.950 -0.000 -9.804) 27.740 56.625 ( 0.568 -0.000 -1.187) 1.315 ======================= Grid point 442 (305/415) ======================= q-point: ( 0.53 -0.53 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.461 ( -17.354 17.384 0.000) 24.563 7.380 ( 23.817 -8.232 -0.000) 25.199 7.757 ( 4.510 -45.950 -0.000) 46.170 8.186 ( -14.881 22.773 0.000) 27.204 8.800 ( -4.048 5.526 0.000) 6.850 9.429 ( -0.118 -7.289 -0.000) 7.290 9.693 ( -6.166 0.306 0.000) 6.173 11.677 ( -4.439 8.543 0.000) 9.627 11.819 ( -7.407 -14.187 -0.000) 16.004 14.071 ( -13.237 -11.072 0.000) 17.257 14.989 ( 7.671 5.771 -0.000) 9.600 56.596 ( 0.813 0.992 -0.000) 1.283 ======================= Grid point 443 (306/415) ======================= q-point: (-0.27 -0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 675 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.583 ( 0.000 -4.740 -38.472) 38.763 3.858 ( -0.000 -47.529 -30.575) 56.514 6.220 ( 0.000 -7.505 -57.785) 58.271 7.975 ( -0.000 -2.864 15.425) 15.689 9.214 ( 0.000 25.635 11.221) 27.983 10.173 ( -0.000 -16.744 -2.037) 16.867 10.680 ( -0.000 -3.685 14.990) 15.436 11.757 ( -0.000 -2.446 14.596) 14.800 12.259 ( -0.000 0.374 36.186) 36.188 13.549 ( 0.000 3.323 -4.731) 5.781 15.768 ( 0.000 11.543 -4.634) 12.438 56.609 ( 0.000 0.372 -1.426) 1.474 ======================= Grid point 444 (307/415) ======================= q-point: ( 0.23 -0.67 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.435 ( -2.724 2.267 4.873) 6.025 6.615 ( 1.565 -6.161 2.410) 6.798 8.450 ( -3.620 44.397 -0.618) 44.549 8.767 ( 0.531 -8.269 -2.050) 8.536 9.595 ( 6.373 -14.402 -4.907) 16.496 9.880 ( -5.179 -1.049 -0.166) 5.287 11.389 ( 1.337 -1.390 -18.143) 18.245 11.606 ( -0.670 2.763 -2.503) 3.788 12.789 ( 1.461 4.752 -11.859) 12.858 13.141 ( -1.170 -1.249 16.910) 16.997 13.535 ( 1.683 -5.989 17.595) 18.663 56.556 ( -0.051 -0.275 0.022) 0.280 ======================= Grid point 445 (308/415) ======================= q-point: ( 0.43 -0.32 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1262 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.075 ( -11.423 30.262 5.263) 32.772 5.495 ( -32.268 32.181 7.465) 46.180 8.080 ( 3.618 -8.704 -15.918) 18.499 8.673 ( 2.465 -0.939 -12.992) 13.257 9.438 ( 6.495 -20.018 7.338) 22.288 9.585 ( -2.469 -9.221 11.958) 15.300 9.821 ( 1.177 -12.653 16.841) 21.098 11.346 ( 0.942 4.925 -0.419) 5.032 11.792 ( -3.810 -15.140 2.667) 15.838 13.282 ( -17.025 -5.490 -0.989) 17.916 15.339 ( 8.564 9.317 -7.496) 14.708 56.608 ( 0.439 1.448 -0.171) 1.523 ======================= Grid point 449 (309/415) ======================= q-point: (-0.17 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 699 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.528 ( 15.000 -0.000 -9.340) 17.670 6.071 ( 23.255 -0.000 -17.109) 28.870 7.189 ( -8.132 0.000 -3.637) 8.908 9.371 ( 0.751 -0.000 12.306) 12.329 9.862 ( 10.803 -0.000 24.345) 26.635 10.059 ( -8.621 0.000 7.991) 11.755 10.502 ( -15.908 0.000 14.707) 21.665 11.395 ( -8.440 0.000 7.596) 11.355 11.715 ( -23.727 0.000 -14.492) 27.802 13.566 ( 4.642 -0.000 -4.285) 6.317 14.636 ( 5.608 0.000 -20.718) 21.464 56.606 ( 0.968 -0.000 -0.283) 1.008 ======================= Grid point 454 (310/415) ======================= q-point: (-0.28 -0.39 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.073 ( 1.371 -36.430 -23.498) 43.373 6.071 ( -12.168 -2.580 -34.173) 36.367 7.065 ( 4.227 3.347 10.451) 11.760 8.266 ( -13.642 6.265 -22.816) 27.312 9.261 ( -13.862 20.786 10.124) 26.958 10.186 ( -11.361 -12.953 21.746) 27.744 10.539 ( -2.888 -3.147 38.456) 38.692 10.921 ( -7.634 -2.173 -2.637) 8.364 11.338 ( -5.082 -9.460 13.090) 16.931 13.694 ( 2.493 2.679 -5.226) 6.379 15.203 ( 21.208 5.327 -11.285) 24.607 56.643 ( 0.745 0.558 -1.015) 1.378 ======================= Grid point 457 (311/415) ======================= q-point: (-0.38 -0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 683 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.436 ( 0.000 -3.176 -33.009) 33.161 5.410 ( -0.000 -40.771 -20.853) 45.795 7.436 ( 0.000 -5.042 -37.350) 37.688 7.787 ( -0.000 -16.662 10.437) 19.661 8.400 ( 0.000 25.166 13.183) 28.409 10.423 ( -0.000 -1.770 14.214) 14.324 10.587 ( -0.000 -17.258 -2.202) 17.398 11.367 ( -0.000 -2.343 30.842) 30.931 11.714 ( -0.000 -10.004 20.531) 22.838 13.513 ( 0.000 8.880 -3.807) 9.662 15.594 ( 0.000 16.870 -7.688) 18.539 56.625 ( 0.000 0.794 -1.245) 1.476 ======================= Grid point 459 (312/415) ======================= q-point: ( 0.32 -0.32 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.356 ( -14.678 32.479 0.000) 35.641 4.692 ( -37.059 32.857 0.000) 49.527 8.486 ( 4.539 -8.946 -0.000) 10.032 8.816 ( 1.788 -1.014 -0.000) 2.056 9.326 ( 1.783 22.416 0.000) 22.487 9.521 ( -2.449 2.001 0.000) 3.162 9.939 ( 2.414 -15.514 -0.000) 15.701 11.277 ( 8.018 -3.215 -0.000) 8.638 12.051 ( -2.502 -12.008 -0.000) 12.266 13.662 ( -23.262 -25.041 0.000) 34.179 15.265 ( 7.523 5.637 -0.000) 9.400 56.581 ( 0.302 1.213 0.000) 1.250 ======================= Grid point 460 (313/415) ======================= q-point: (-0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 385 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.273 ( 28.621 0.000 -0.000) 28.621 4.284 ( 40.564 0.000 -0.000) 40.564 6.738 ( 53.638 0.000 -0.000) 53.638 8.041 ( -11.769 -0.000 0.000) 11.769 9.591 ( -2.202 -0.000 0.000) 2.202 10.257 ( -3.858 -0.000 0.000) 3.858 10.884 ( -9.063 -0.000 0.000) 9.063 11.874 ( -10.910 -0.000 0.000) 10.910 13.341 ( -14.532 -0.000 0.000) 14.532 13.368 ( 4.670 0.000 -0.000) 4.670 15.528 ( -12.169 -0.000 0.000) 12.169 56.558 ( 0.577 0.000 -0.000) 0.577 ======================= Grid point 463 (314/415) ======================= q-point: (-0.28 0.39 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.152 ( 17.032 -41.654 -4.976) 45.276 6.413 ( 28.832 -3.634 -11.110) 31.112 7.212 ( -11.586 5.063 -3.045) 13.005 9.106 ( 8.014 2.988 7.172) 11.162 9.389 ( 5.055 3.320 16.936) 17.984 9.739 ( -13.362 14.754 5.372) 20.617 10.190 ( -12.384 8.697 6.369) 16.419 11.417 ( -9.616 -12.563 4.029) 16.326 11.953 ( -20.963 0.784 -7.053) 22.132 13.741 ( 0.648 -9.177 -3.184) 9.735 14.951 ( 2.664 2.262 -11.153) 11.688 56.606 ( 1.080 0.433 -0.151) 1.173 ======================= Grid point 468 (315/415) ======================= q-point: (-0.38 -0.40 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.141 ( -4.569 -8.556 -9.459) 13.548 6.725 ( -14.416 0.430 -22.378) 26.623 7.077 ( 6.239 -30.277 -6.199) 31.528 8.108 ( -10.365 23.319 4.145) 25.853 8.916 ( -4.982 5.785 -2.682) 8.092 9.866 ( -5.362 -3.987 22.084) 23.073 9.946 ( -4.795 -6.488 27.700) 28.851 11.151 ( -8.185 -11.033 -4.039) 14.319 11.375 ( -6.838 -14.720 7.990) 18.091 13.677 ( -1.571 6.619 -1.984) 7.086 15.294 ( 15.879 8.163 -11.012) 20.977 56.643 ( 0.815 1.094 -0.656) 1.514 ======================= Grid point 471 (316/415) ======================= q-point: (-0.48 -0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 675 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.960 ( 0.000 10.120 -19.074) 21.592 5.961 ( 0.000 4.689 7.093) 8.503 7.778 ( 0.000 12.237 3.775) 12.806 7.850 ( 0.000 -7.454 -16.785) 18.366 8.687 ( -0.000 -40.436 -12.992) 42.472 10.140 ( -0.000 -3.358 17.339) 17.661 10.773 ( -0.000 -8.288 33.631) 34.637 10.984 ( -0.000 -13.185 -4.726) 14.006 11.653 ( -0.000 -13.531 10.698) 17.249 13.308 ( 0.000 14.559 0.704) 14.576 15.418 ( 0.000 17.590 -10.607) 20.541 56.626 ( 0.000 1.171 -0.821) 1.430 ======================= Grid point 477 (317/415) ======================= q-point: (-0.39 0.39 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 710 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.302 ( 15.155 -60.057 -0.000) 61.939 6.646 ( 29.649 -6.493 -0.000) 30.351 7.095 ( -14.509 9.061 0.000) 17.106 8.901 ( 12.243 15.610 -0.000) 19.838 9.061 ( -6.816 7.693 0.000) 10.278 9.400 ( -11.608 6.682 0.000) 13.394 9.935 ( -9.518 7.675 0.000) 12.226 11.675 ( -8.650 -14.868 0.000) 17.201 11.951 ( -10.084 6.113 0.000) 11.792 14.030 ( -6.901 -13.480 -0.000) 15.144 15.001 ( 1.016 4.121 0.000) 4.245 56.596 ( 0.964 0.707 -0.000) 1.195 ======================= Grid point 479 (318/415) ======================= q-point: (-0.69 0.24 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.482 ( -2.187 -2.906 3.627) 5.136 6.543 ( 0.592 1.793 3.472) 3.952 8.563 ( 10.884 -4.851 -4.839) 12.861 8.820 ( 15.902 1.061 -0.047) 15.937 9.453 ( -5.946 6.086 -1.734) 8.683 9.904 ( -2.904 -4.052 0.259) 4.992 11.416 ( -3.976 1.259 -18.236) 18.706 11.607 ( 2.455 -0.869 -4.443) 5.150 12.813 ( 2.145 1.470 -13.073) 13.329 13.163 ( -3.409 -1.211 16.349) 16.745 13.485 ( -2.188 1.815 19.738) 19.941 56.554 ( -0.147 -0.049 0.021) 0.157 ======================= Grid point 480 (319/415) ======================= q-point: (-0.19 -0.26 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.326 ( -2.816 0.000 -35.096) 35.209 3.725 ( -17.816 0.000 -38.546) 42.464 6.193 ( -5.140 0.000 -57.809) 58.038 7.899 ( 4.536 -0.000 15.091) 15.758 9.731 ( -4.994 0.000 13.542) 14.433 9.859 ( -6.017 0.000 -2.963) 6.707 10.765 ( -11.042 0.000 14.094) 17.905 11.736 ( -0.681 -0.000 14.149) 14.165 12.256 ( 0.574 -0.000 40.495) 40.499 13.573 ( 1.457 0.000 -6.780) 6.934 15.756 ( 13.224 -0.000 -3.788) 13.755 56.611 ( 0.164 0.000 -1.450) 1.459 ======================= Grid point 482 (320/415) ======================= q-point: ( 0.51 -0.40 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.865 ( -11.547 23.340 2.302) 26.141 6.834 ( -34.369 27.256 -1.508) 43.890 7.845 ( 7.398 -2.689 -12.880) 15.095 8.207 ( 6.864 -43.730 -9.754) 45.328 8.871 ( 4.430 -3.623 4.859) 7.507 9.552 ( -3.985 -2.972 16.418) 17.155 9.615 ( -2.771 -7.674 14.287) 16.453 11.433 ( -6.248 -4.421 -2.671) 8.107 11.570 ( -6.259 -15.570 3.491) 17.140 13.559 ( -10.060 3.640 -0.420) 10.706 15.321 ( 11.786 8.340 -7.489) 16.265 56.626 ( 0.746 1.390 -0.262) 1.599 ======================= Grid point 485 (321/415) ======================= q-point: ( 0.41 -0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 683 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.707 ( 0.000 30.033 0.522) 30.038 5.293 ( 0.000 23.637 21.027) 31.636 7.848 ( 0.000 -7.348 -12.444) 14.452 8.335 ( 0.000 2.487 -21.172) 21.317 9.642 ( -0.000 -29.752 -0.009) 29.752 9.853 ( -0.000 -4.351 17.102) 17.646 10.336 ( -0.000 -10.194 26.315) 28.220 11.318 ( -0.000 -9.615 -4.215) 10.498 11.792 ( -0.000 -14.679 5.058) 15.526 12.948 ( 0.000 8.926 4.581) 10.033 15.332 ( 0.000 13.274 -11.844) 17.790 56.612 ( 0.000 1.369 -0.349) 1.413 ======================= Grid point 489 (322/415) ======================= q-point: (-0.19 -0.48 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 699 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.586 ( 4.411 0.000 -21.647) 22.092 6.121 ( 3.039 0.000 -31.395) 31.542 7.063 ( 0.980 -0.000 6.550) 6.622 8.751 ( -25.387 0.000 -18.940) 31.674 9.836 ( -11.876 0.000 10.406) 15.790 10.212 ( -11.570 0.000 20.317) 23.381 10.618 ( -8.269 -0.000 35.970) 36.908 11.026 ( -4.019 0.000 0.362) 4.035 11.329 ( -5.266 0.000 12.099) 13.196 13.641 ( 4.267 -0.000 -5.537) 6.990 14.815 ( 21.853 -0.000 -15.752) 26.939 56.632 ( 0.852 -0.000 -0.867) 1.216 ======================= Grid point 493 (323/415) ======================= q-point: ( 0.21 0.24 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1262 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.397 ( 1.066 4.870 1.379) 5.173 6.643 ( -1.053 -7.147 -6.119) 9.467 8.262 ( 13.581 31.127 7.616) 34.804 8.823 ( -2.967 -1.647 0.763) 3.479 9.352 ( 20.261 4.213 -1.805) 20.773 10.030 ( -11.074 -11.160 4.713) 16.413 11.452 ( -4.373 -2.061 16.397) 17.095 11.569 ( 2.336 2.498 2.348) 4.148 12.795 ( 1.081 3.749 8.566) 9.413 13.155 ( -2.417 -0.451 -14.764) 14.968 13.597 ( -4.337 -7.636 -19.168) 21.084 56.556 ( -0.102 -0.231 0.075) 0.263 ======================= Grid point 494 (324/415) ======================= q-point: (-0.29 -0.26 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.499 ( -1.717 -36.807 -29.806) 47.393 4.556 ( -15.693 -5.319 -36.053) 39.679 7.331 ( -0.235 -2.759 -45.687) 45.771 7.592 ( 4.726 -1.258 15.288) 16.052 9.028 ( -7.637 25.784 13.160) 29.939 10.171 ( -5.915 -21.889 11.643) 25.489 10.539 ( -7.369 0.768 2.977) 7.985 11.349 ( -0.575 -0.089 35.760) 35.765 11.533 ( -1.010 -8.001 21.287) 22.763 13.654 ( 1.181 5.075 -5.851) 7.835 15.752 ( 11.208 8.587 -5.383) 15.111 56.637 ( 0.235 0.495 -1.405) 1.508 ======================= Grid point 496 (325/415) ======================= q-point: ( 0.41 -0.41 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.296 ( -16.165 27.555 0.000) 31.947 6.134 ( -37.614 32.837 0.000) 49.931 8.193 ( 7.664 -8.171 -0.000) 11.203 8.747 ( 3.884 0.574 -0.000) 3.926 9.142 ( 9.030 -20.732 -0.000) 22.613 9.515 ( -3.872 -14.335 -0.000) 14.849 9.647 ( -0.891 -10.096 -0.000) 10.135 11.333 ( 0.052 13.515 0.000) 13.515 11.855 ( -5.089 -14.042 -0.000) 14.936 13.676 ( -19.213 -14.488 0.000) 24.063 15.237 ( 9.853 7.759 -0.000) 12.541 56.599 ( 0.563 1.339 0.000) 1.452 ======================= Grid point 499 (326/415) ======================= q-point: ( 0.31 -0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 675 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.895 ( 0.000 37.486 5.803) 37.933 4.258 ( 0.000 32.630 19.009) 37.763 8.388 ( -0.000 -13.608 -13.574) 19.221 8.618 ( 0.000 9.656 -17.754) 20.210 9.548 ( 0.000 27.567 12.696) 30.350 9.639 ( -0.000 -6.474 12.833) 14.374 10.165 ( -0.000 -17.335 15.205) 23.058 11.550 ( -0.000 -5.559 -2.583) 6.130 12.014 ( -0.000 -12.719 1.371) 12.792 13.023 ( -0.000 -21.678 0.760) 21.691 15.340 ( 0.000 6.966 -8.403) 10.915 56.587 ( 0.000 1.272 -0.046) 1.273 ======================= Grid point 500 (327/415) ======================= q-point: (-0.19 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.282 ( 21.749 -0.000 -2.939) 21.947 5.748 ( 33.071 -0.000 -6.508) 33.705 7.493 ( -11.766 0.000 -4.711) 12.674 8.672 ( 32.571 -0.000 14.918) 35.825 9.488 ( -5.762 0.000 8.899) 10.602 10.081 ( -7.226 0.000 4.667) 8.602 10.562 ( -12.384 0.000 7.810) 14.641 11.467 ( -10.406 0.000 3.563) 10.999 12.479 ( -23.689 0.000 -10.032) 25.725 13.541 ( 4.863 -0.000 -2.272) 5.367 14.990 ( -4.450 0.000 -12.760) 13.513 56.590 ( 0.969 -0.000 -0.043) 0.970 ======================= Grid point 503 (328/415) ======================= q-point: (-0.30 -0.48 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.426 ( 7.431 -36.762 -17.404) 41.347 6.784 ( 7.908 -2.796 -27.338) 28.596 6.892 ( -3.397 5.446 3.459) 7.291 8.892 ( -18.297 13.218 -4.107) 22.942 9.311 ( -11.646 17.479 10.872) 23.651 9.919 ( -8.729 -4.795 18.687) 21.175 9.987 ( -8.442 -1.976 25.737) 27.158 11.116 ( -8.683 -7.639 -1.182) 11.625 11.240 ( -7.923 -11.896 7.195) 16.002 13.738 ( 2.422 0.736 -3.821) 4.584 15.085 ( 16.503 3.682 -13.424) 21.590 56.642 ( 1.016 0.584 -0.627) 1.329 ======================= Grid point 508 (329/415) ======================= q-point: (-0.40 -0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.276 ( -16.641 3.274 -30.086) 34.537 5.797 ( -1.116 -25.007 -14.372) 28.864 7.425 ( 5.812 -17.807 8.523) 20.579 8.041 ( 5.527 12.803 -9.159) 16.684 8.406 ( -10.870 4.773 -10.080) 15.574 10.071 ( -4.761 -8.311 21.253) 23.312 10.608 ( 0.023 -6.809 37.364) 37.979 10.759 ( -4.821 -11.416 -5.817) 13.690 11.407 ( -2.470 -12.231 12.897) 17.945 13.592 ( -0.184 10.907 -3.238) 11.379 15.654 ( 8.845 12.948 -7.327) 17.308 56.647 ( 0.283 1.033 -1.078) 1.520 ======================= Grid point 513 (330/415) ======================= q-point: ( 0.20 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 415 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.021 ( 0.000 38.417 0.000) 38.417 3.279 ( 0.000 37.792 0.000) 37.792 8.191 ( 0.000 71.202 0.000) 71.202 8.802 ( 0.000 2.396 0.000) 2.396 8.830 ( -0.000 -13.026 -0.000) 13.026 9.657 ( -0.000 -9.380 -0.000) 9.380 10.366 ( -0.000 -18.066 -0.000) 18.066 11.649 ( -0.000 -1.132 -0.000) 1.132 12.244 ( -0.000 -9.945 -0.000) 9.945 13.571 ( -0.000 -26.102 -0.000) 26.102 15.375 ( -0.000 -1.355 -0.000) 1.355 56.564 ( 0.000 0.914 0.000) 0.914 ======================= Grid point 514 (331/415) ======================= q-point: (-0.30 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.815 ( 20.571 -44.739 -0.000) 49.241 5.868 ( 35.125 -4.548 -0.000) 35.419 7.508 ( -13.278 3.556 0.000) 13.746 8.505 ( 32.874 0.534 -0.000) 32.879 9.341 ( -6.986 4.947 0.000) 8.561 9.911 ( -9.796 10.576 0.000) 14.416 10.350 ( -10.968 10.373 0.000) 15.096 11.573 ( -10.008 -11.781 0.000) 15.458 12.403 ( -14.892 13.787 0.000) 20.294 13.788 ( -1.544 -17.155 -0.000) 17.225 15.111 ( -5.966 1.314 0.000) 6.109 56.587 ( 0.974 0.327 -0.000) 1.027 ======================= Grid point 517 (332/415) ======================= q-point: ( 0.60 -0.49 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1262 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.442 ( -8.186 1.096 -7.305) 11.026 6.837 ( 7.880 -38.248 -0.267) 39.052 7.418 ( 11.821 -7.487 -19.527) 24.022 8.360 ( -26.518 29.113 5.298) 39.735 8.909 ( -1.747 6.150 5.788) 8.624 9.564 ( -2.375 -1.551 18.053) 18.275 9.657 ( -7.841 0.647 8.639) 11.685 11.357 ( -8.528 -15.672 1.853) 17.938 11.457 ( -10.449 -11.167 -0.949) 15.322 13.763 ( -3.874 1.472 -1.438) 4.387 15.218 ( 12.613 5.616 -8.200) 16.058 56.634 ( 1.012 1.064 -0.290) 1.497 ======================= Grid point 522 (333/415) ======================= q-point: ( 0.50 -0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.453 ( -16.005 24.153 -9.775) 30.579 5.794 ( -5.510 17.579 9.468) 20.713 7.776 ( 1.203 2.545 -5.163) 5.880 8.161 ( 3.601 -25.769 -15.873) 30.479 8.937 ( 0.309 -22.180 -8.605) 23.793 9.775 ( -2.566 -5.303 19.300) 20.179 10.088 ( 0.435 -11.546 29.753) 31.917 11.125 ( -3.930 -11.768 -4.472) 13.188 11.494 ( -2.683 -15.781 7.064) 17.497 13.310 ( -3.082 16.913 1.666) 17.272 15.548 ( 6.523 12.933 -8.668) 16.881 56.639 ( 0.288 1.440 -0.601) 1.587 ======================= Grid point 529 (334/415) ======================= q-point: (-0.21 -0.35 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 699 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.066 ( -1.469 0.000 -30.815) 30.850 4.934 ( -21.750 0.000 -36.959) 42.884 7.380 ( -7.910 0.000 -42.815) 43.540 7.470 ( 6.317 -0.000 14.128) 15.476 9.610 ( -10.078 0.000 12.616) 16.147 9.998 ( -11.684 0.000 8.696) 14.565 10.765 ( -12.481 0.000 7.965) 14.806 11.363 ( 0.148 -0.000 42.852) 42.852 11.463 ( -2.215 -0.000 14.401) 14.570 13.665 ( 2.790 -0.000 -6.142) 6.746 15.511 ( 20.823 -0.000 -6.776) 21.897 56.635 ( 0.442 0.000 -1.360) 1.430 ======================= Grid point 531 (335/415) ======================= q-point: ( 0.49 -0.49 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.127 ( -15.694 21.071 0.000) 26.274 7.480 ( -28.315 21.750 0.000) 35.705 7.792 ( 16.591 -7.590 -0.000) 18.245 8.145 ( 7.881 -41.459 -0.000) 42.202 8.748 ( -0.714 3.810 0.000) 3.876 9.404 ( -2.369 -4.757 -0.000) 5.315 9.576 ( -5.393 -2.696 0.000) 6.029 11.579 ( -5.386 2.864 0.000) 6.100 11.671 ( -7.272 -15.606 -0.000) 17.217 13.804 ( -12.958 -5.552 0.000) 14.097 15.180 ( 10.756 6.648 -0.000) 12.645 56.613 ( 0.839 1.236 -0.000) 1.494 ======================= Grid point 536 (336/415) ======================= q-point: ( 0.39 -0.28 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.842 ( -13.181 35.619 1.582) 38.013 5.020 ( -12.275 30.952 12.625) 35.611 8.121 ( 0.926 -10.395 -13.570) 17.119 8.719 ( 1.871 2.017 -15.695) 15.934 9.513 ( 0.437 -7.970 12.706) 15.005 9.570 ( 1.430 -20.930 5.943) 21.804 9.852 ( 1.615 -13.169 17.218) 21.737 11.372 ( 1.399 -4.484 -1.666) 4.984 11.733 ( -2.052 -15.849 2.544) 16.183 12.990 ( -11.125 3.655 1.391) 11.793 15.475 ( 4.801 9.964 -6.618) 12.889 56.615 ( 0.245 1.552 -0.186) 1.583 ======================= Grid point 540 (337/415) ======================= q-point: (-0.21 -0.57 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.800 ( 12.072 -0.000 -13.959) 18.455 6.487 ( 17.822 -0.000 -23.318) 29.349 7.047 ( -5.928 0.000 -0.105) 5.929 9.265 ( -9.325 0.000 5.981) 11.079 9.861 ( -11.101 0.000 9.077) 14.339 9.972 ( -3.565 -0.000 21.349) 21.645 10.203 ( -12.645 0.000 17.904) 21.919 11.233 ( -7.628 0.000 9.036) 11.825 11.287 ( -17.267 0.000 -7.847) 18.967 13.658 ( 4.536 -0.000 -4.379) 6.304 14.822 ( 12.648 -0.000 -17.101) 21.270 56.627 ( 1.065 -0.000 -0.483) 1.170 ======================= Grid point 543 (338/415) ======================= q-point: (-0.31 -0.35 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.090 ( 0.422 -34.440 -25.869) 43.075 5.709 ( -21.561 -0.497 -34.995) 41.107 7.168 ( 5.602 1.093 12.835) 14.047 8.134 ( -0.712 4.505 -28.400) 28.763 8.985 ( -13.278 21.204 10.583) 27.165 9.960 ( -10.501 -16.512 21.770) 29.272 10.506 ( -0.782 -3.423 39.624) 39.780 10.750 ( -8.796 -3.082 -3.356) 9.906 11.251 ( -3.564 -8.235 13.732) 16.404 13.738 ( 1.845 4.523 -4.893) 6.914 15.593 ( 17.015 6.233 -7.578) 19.642 56.656 ( 0.565 0.595 -1.159) 1.420 ======================= Grid point 549 (339/415) ======================= q-point: (-0.21 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 415 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.821 ( 26.008 0.000 -0.000) 26.008 5.077 ( 38.467 0.000 -0.000) 38.467 7.724 ( 44.469 0.000 -0.000) 44.469 7.797 ( -12.473 -0.000 0.000) 12.473 9.518 ( -5.023 -0.000 0.000) 5.023 10.162 ( -5.622 -0.000 0.000) 5.622 10.692 ( -10.046 -0.000 0.000) 10.046 11.651 ( -11.216 -0.000 0.000) 11.216 13.014 ( -18.492 -0.000 0.000) 18.492 13.465 ( 4.948 0.000 -0.000) 4.948 15.291 ( -10.721 -0.000 0.000) 10.721 56.572 ( 0.811 0.000 -0.000) 0.811 ======================= Grid point 550 (340/415) ======================= q-point: ( 0.29 -0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.073 ( -23.026 37.364 0.000) 43.889 4.129 ( -7.795 35.173 0.000) 36.026 8.542 ( 1.431 -12.120 -0.000) 12.204 8.848 ( 1.240 2.263 -0.000) 2.581 9.350 ( 0.649 32.867 0.000) 32.874 9.489 ( -0.916 -5.058 -0.000) 5.140 9.982 ( 1.621 -16.692 -0.000) 16.770 11.463 ( 9.394 -4.780 -0.000) 10.540 12.012 ( -1.336 -13.116 -0.000) 13.184 13.226 ( -18.496 -23.535 0.000) 29.933 15.386 ( 4.270 5.821 -0.000) 7.219 56.586 ( 0.178 1.312 0.000) 1.324 ======================= Grid point 554 (341/415) ======================= q-point: (-0.32 0.43 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.469 ( 14.575 -38.932 -7.724) 42.282 6.923 ( 16.702 -0.052 -12.891) 21.098 7.008 ( -3.685 3.242 -3.002) 5.753 9.065 ( -6.416 3.557 5.263) 9.029 9.421 ( -18.042 18.396 6.931) 26.682 9.549 ( 4.752 2.974 17.982) 18.836 9.943 ( -12.192 6.415 4.869) 14.612 11.228 ( -9.110 -12.612 4.300) 16.141 11.529 ( -19.912 -8.368 -4.430) 22.048 13.763 ( 1.537 -3.096 -2.431) 4.226 15.076 ( 9.438 2.674 -9.490) 13.649 56.629 ( 1.164 0.540 -0.251) 1.307 ======================= Grid point 557 (342/415) ======================= q-point: (-0.42 -0.36 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1262 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.053 ( -4.123 -1.737 -6.385) 7.796 6.299 ( -24.276 7.777 -25.399) 35.984 7.214 ( 7.062 -34.549 -1.574) 35.298 8.012 ( -1.775 17.877 3.876) 18.378 8.832 ( -3.034 2.334 -11.204) 11.840 9.739 ( -6.754 -7.363 21.112) 23.357 9.884 ( -1.532 -8.442 30.370) 31.559 10.994 ( -7.210 -11.129 -4.008) 13.853 11.255 ( -4.992 -14.456 8.471) 17.483 13.651 ( -1.000 10.710 -1.321) 10.838 15.588 ( 12.920 9.391 -7.907) 17.822 56.657 ( 0.617 1.183 -0.749) 1.530 ======================= Grid point 569 (343/415) ======================= q-point: (-0.42 0.42 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.590 ( 13.584 -57.181 -0.000) 58.773 6.782 ( -13.540 13.093 0.000) 18.835 7.223 ( 24.448 -6.640 -0.000) 25.333 8.809 ( -19.523 30.565 0.000) 36.268 8.930 ( -6.005 6.078 0.000) 8.544 9.331 ( 2.776 -2.836 -0.000) 3.969 9.749 ( -9.075 5.214 0.000) 10.466 11.500 ( -8.740 -16.064 0.000) 18.288 11.720 ( -12.383 -3.672 0.000) 12.916 13.890 ( -6.585 -6.575 0.000) 9.306 15.100 ( 8.217 4.680 -0.000) 9.456 56.616 ( 1.053 0.912 -0.000) 1.393 ======================= Grid point 570 (344/415) ======================= q-point: (-0.22 -0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 415 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.297 ( -0.000 -0.000 -36.242) 36.242 3.533 ( -0.000 -0.000 -39.814) 39.814 6.148 ( -0.000 -0.000 -60.150) 60.150 7.946 ( 0.000 0.000 15.028) 15.028 9.679 ( 0.000 0.000 14.358) 14.358 9.795 ( -0.000 -0.000 -2.258) 2.258 10.648 ( 0.000 0.000 12.616) 12.616 11.729 ( 0.000 0.000 14.421) 14.421 12.261 ( 0.000 0.000 40.682) 40.682 13.588 ( -0.000 -0.000 -6.843) 6.843 15.892 ( -0.000 -0.000 -3.213) 3.213 56.613 ( -0.000 -0.000 -1.487) 1.487 ======================= Grid point 571 (345/415) ======================= q-point: ( 0.28 -0.72 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 639 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.460 ( 0.000 -0.000 5.107) 5.107 6.547 ( 0.000 -0.000 2.364) 2.364 8.675 ( 0.000 -0.000 -2.363) 2.363 9.000 ( 0.000 0.000 -1.499) 1.499 9.379 ( 0.000 -0.000 -3.698) 3.698 9.872 ( 0.000 0.000 1.094) 1.094 11.375 ( 0.000 -0.000 -17.763) 17.763 11.633 ( 0.000 -0.000 -5.163) 5.163 12.834 ( 0.000 -0.000 -14.393) 14.393 13.128 ( 0.000 -0.000 16.468) 16.468 13.463 ( 0.000 -0.000 21.594) 21.594 56.553 ( 0.000 -0.000 0.022) 0.022 ======================= Grid point 573 (346/415) ======================= q-point: ( 0.48 -0.37 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.665 ( -8.256 25.905 4.021) 27.485 6.164 ( -30.807 31.193 -1.320) 43.861 7.932 ( 1.799 -5.100 -11.178) 12.418 8.354 ( 7.371 -40.455 -12.392) 42.947 8.965 ( 4.468 -7.241 1.940) 8.727 9.468 ( -4.067 -4.550 15.500) 16.658 9.579 ( -0.882 -10.409 16.766) 19.754 11.307 ( -6.152 -8.844 -2.667) 11.098 11.460 ( -4.642 -16.395 3.372) 17.369 13.382 ( -7.368 12.193 1.030) 14.284 15.539 ( 9.562 9.520 -5.931) 14.739 56.639 ( 0.575 1.536 -0.299) 1.667 ======================= Grid point 582 (347/415) ======================= q-point: (-0.23 -0.44 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.655 ( 2.520 0.000 -25.757) 25.880 6.045 ( -11.219 0.000 -34.817) 36.580 7.108 ( 3.368 -0.000 9.932) 10.488 8.332 ( -14.632 0.000 -26.973) 30.686 9.588 ( -12.578 0.000 11.508) 17.048 9.940 ( -14.901 0.000 21.090) 25.823 10.507 ( -3.150 -0.000 38.940) 39.067 10.906 ( -7.931 0.000 0.714) 7.963 11.234 ( -4.222 -0.000 13.256) 13.912 13.721 ( 3.638 -0.000 -5.393) 6.505 15.259 ( 21.745 -0.000 -10.940) 24.342 56.649 ( 0.768 -0.000 -1.066) 1.313 ======================= Grid point 585 (348/415) ======================= q-point: (-0.33 -0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 675 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.378 ( 0.000 -2.091 -37.296) 37.354 4.492 ( -0.000 -39.780 -29.725) 49.659 7.333 ( 0.000 -3.199 -47.965) 48.072 7.643 ( -0.000 -1.983 15.930) 16.052 8.947 ( 0.000 26.541 13.804) 29.916 10.109 ( -0.000 -22.609 12.479) 25.824 10.462 ( -0.000 -0.115 1.731) 1.734 11.343 ( -0.000 0.271 34.210) 34.211 11.523 ( -0.000 -7.840 22.980) 24.281 13.666 ( 0.000 5.370 -5.756) 7.872 15.866 ( 0.000 9.029 -4.624) 10.144 56.639 ( 0.000 0.501 -1.441) 1.525 ======================= Grid point 587 (349/415) ======================= q-point: ( 0.37 -0.37 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 710 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.016 ( -11.575 30.672 0.000) 32.784 5.413 ( -33.046 35.968 0.000) 48.844 8.277 ( 1.696 -10.201 -0.000) 10.341 8.841 ( 4.782 2.741 -0.000) 5.512 9.296 ( 5.513 -12.476 -0.000) 13.640 9.462 ( -0.759 -18.719 -0.000) 18.734 9.642 ( 0.366 -12.871 -0.000) 12.877 11.349 ( 1.521 6.258 0.000) 6.441 11.766 ( -3.770 -15.260 -0.000) 15.719 13.293 ( -18.350 -7.478 0.000) 19.815 15.419 ( 7.988 8.533 -0.000) 11.688 56.610 ( 0.449 1.516 0.000) 1.581 ======================= Grid point 591 (350/415) ======================= q-point: (-0.23 0.34 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 699 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.689 ( 18.869 -0.000 -5.541) 19.666 6.374 ( 29.129 -0.000 -10.861) 31.088 7.265 ( -10.864 0.000 -3.096) 11.297 9.132 ( 9.355 -0.000 8.510) 12.647 9.422 ( 2.729 -0.000 16.418) 16.643 9.912 ( -9.619 0.000 5.445) 11.053 10.303 ( -13.448 0.000 5.418) 14.498 11.265 ( -9.730 0.000 4.487) 10.715 11.957 ( -27.682 0.000 -8.152) 28.858 13.638 ( 4.783 -0.000 -2.422) 5.362 14.975 ( 2.994 0.000 -11.154) 11.548 56.611 ( 1.138 -0.000 -0.158) 1.149 ======================= Grid point 596 (351/415) ======================= q-point: (-0.33 -0.45 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.544 ( 4.343 -33.035 -20.965) 39.366 6.761 ( -10.569 0.205 -29.098) 30.958 6.874 ( 1.251 2.524 5.621) 6.287 8.574 ( -11.241 18.648 -4.358) 22.206 9.094 ( -10.166 11.323 4.798) 15.955 9.725 ( -11.127 -11.395 20.672) 26.096 9.827 ( -5.907 -3.438 27.546) 28.381 10.960 ( -7.380 -6.233 -0.257) 9.664 11.100 ( -6.110 -10.706 8.941) 15.228 13.784 ( 2.121 3.510 -3.386) 5.318 15.427 ( 16.977 4.430 -9.588) 19.995 56.662 ( 0.899 0.648 -0.766) 1.347 ======================= Grid point 599 (352/415) ======================= q-point: (-0.43 -0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 683 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.101 ( 0.000 3.892 -30.095) 30.345 5.786 ( -0.000 -24.645 -14.256) 28.471 7.487 ( -0.000 -18.113 8.644) 20.070 8.142 ( 0.000 21.914 10.995) 24.517 8.251 ( 0.000 -5.068 -31.326) 31.733 10.021 ( -0.000 -9.192 20.976) 22.902 10.609 ( -0.000 -6.891 37.783) 38.406 10.708 ( -0.000 -12.007 -6.301) 13.560 11.382 ( -0.000 -11.955 12.983) 17.649 13.590 ( 0.000 11.647 -3.054) 12.041 15.745 ( 0.000 13.328 -6.569) 14.859 56.650 ( 0.000 1.047 -1.106) 1.523 ======================= Grid point 605 (353/415) ======================= q-point: (-0.34 0.34 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.205 ( 18.415 -41.204 -0.000) 45.132 6.534 ( 31.162 -3.880 -0.000) 31.402 7.247 ( -12.733 5.123 0.000) 13.724 9.042 ( 20.453 1.341 -0.000) 20.497 9.188 ( -8.077 4.150 0.000) 9.081 9.679 ( -13.546 14.797 0.000) 20.061 10.126 ( -11.381 9.513 0.000) 14.834 11.373 ( -9.833 -12.923 0.000) 16.239 12.029 ( -21.787 1.815 0.000) 21.863 13.775 ( 0.125 -9.924 -0.000) 9.925 15.069 ( 1.851 2.258 -0.000) 2.920 56.608 ( 1.136 0.440 -0.000) 1.218 ======================= Grid point 610 (354/415) ======================= q-point: ( 0.56 -0.45 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.266 ( -8.444 12.248 -2.987) 15.174 6.981 ( 3.166 -33.087 -5.648) 33.714 7.411 ( -13.343 -5.759 -19.704) 24.484 7.985 ( -6.889 17.244 6.422) 19.648 8.910 ( 1.971 3.857 3.612) 5.640 9.476 ( -5.590 -4.566 16.982) 18.453 9.512 ( -6.712 -2.326 10.003) 12.268 11.194 ( -7.684 -15.279 0.211) 17.103 11.269 ( -8.283 -13.821 1.710) 16.203 13.700 ( -2.445 7.886 -0.487) 8.270 15.480 ( 13.042 6.639 -6.326) 15.944 56.654 ( 0.901 1.207 -0.353) 1.547 ======================= Grid point 613 (355/415) ======================= q-point: ( 0.46 -0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 675 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.279 ( 0.000 24.075 -11.185) 26.546 5.745 ( 0.000 18.769 11.794) 22.167 7.787 ( 0.000 2.129 -4.588) 5.058 8.200 ( -0.000 -24.253 -16.560) 29.367 8.940 ( -0.000 -23.913 -9.687) 25.801 9.748 ( -0.000 -6.123 19.228) 20.180 10.093 ( -0.000 -11.985 29.689) 32.017 11.084 ( -0.000 -12.431 -4.364) 13.175 11.467 ( -0.000 -15.866 6.968) 17.328 13.279 ( 0.000 18.704 2.103) 18.822 15.614 ( 0.000 13.312 -7.978) 15.519 56.642 ( 0.000 1.466 -0.617) 1.590 ======================= Grid point 622 (356/415) ======================= q-point: (-0.24 -0.31 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.042 ( -0.877 0.000 -33.059) 33.071 4.529 ( -16.260 0.000 -38.033) 41.363 7.307 ( -0.883 0.000 -48.033) 48.041 7.581 ( 4.303 -0.000 15.011) 15.616 9.440 ( -6.327 0.000 13.908) 15.280 9.799 ( -7.434 0.000 10.472) 12.843 10.549 ( -8.241 0.000 4.739) 9.506 11.367 ( 0.159 -0.000 43.559) 43.559 11.429 ( -1.164 -0.000 14.996) 15.041 13.709 ( 1.493 0.000 -6.095) 6.275 15.842 ( 11.681 -0.000 -4.367) 12.470 56.642 ( 0.241 0.000 -1.467) 1.487 ======================= Grid point 624 (357/415) ======================= q-point: ( 0.46 -0.46 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.840 ( -12.800 24.340 0.000) 27.500 6.833 ( -34.167 33.146 0.000) 47.603 8.023 ( 6.443 -7.734 -0.000) 10.066 8.330 ( 9.641 -50.652 -0.000) 51.561 8.789 ( 4.872 3.056 -0.000) 5.751 9.342 ( -3.597 -4.023 0.000) 5.396 9.480 ( -4.170 -5.703 0.000) 7.065 11.462 ( -6.175 -3.003 0.000) 6.867 11.534 ( -6.254 -16.583 -0.000) 17.723 13.562 ( -11.025 2.887 0.000) 11.396 15.401 ( 10.925 7.733 -0.000) 13.385 56.629 ( 0.768 1.443 0.000) 1.634 ======================= Grid point 627 (358/415) ======================= q-point: ( 0.36 -0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 683 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.678 ( 0.000 37.433 1.585) 37.467 4.921 ( 0.000 30.773 13.198) 33.484 8.129 ( -0.000 -11.006 -12.805) 16.884 8.739 ( 0.000 3.135 -16.443) 16.739 9.509 ( -0.000 -6.158 14.480) 15.735 9.591 ( -0.000 -22.679 3.947) 23.020 9.871 ( -0.000 -13.120 17.168) 21.607 11.388 ( -0.000 -9.741 -2.369) 10.025 11.712 ( -0.000 -16.040 2.430) 16.223 12.873 ( 0.000 8.602 2.562) 8.975 15.525 ( 0.000 10.186 -6.292) 11.973 56.617 ( 0.000 1.587 -0.192) 1.599 ======================= Grid point 631 (359/415) ======================= q-point: (-0.25 -0.53 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 699 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.011 ( 9.026 -0.000 -18.321) 20.424 6.755 ( 7.819 0.000 -28.495) 29.548 6.956 ( -3.130 0.000 3.856) 4.966 9.023 ( -13.976 0.000 -5.336) 14.960 9.620 ( -12.781 0.000 9.768) 16.086 9.756 ( -14.294 0.000 21.052) 25.446 9.978 ( -10.997 0.000 22.702) 25.225 11.044 ( -8.161 0.000 -0.917) 8.212 11.091 ( -6.486 0.000 10.156) 12.050 13.745 ( 4.100 -0.000 -4.240) 5.898 15.124 ( 16.891 -0.000 -13.077) 21.362 56.648 ( 1.055 -0.000 -0.660) 1.244 ======================= Grid point 636 (360/415) ======================= q-point: (-0.35 -0.32 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.094 ( 0.058 -33.224 -27.113) 42.883 5.312 ( -15.710 0.600 -35.531) 38.854 7.270 ( 4.138 -0.749 14.524) 15.121 8.176 ( 3.510 2.349 -33.114) 33.383 8.752 ( -9.259 23.301 12.038) 27.813 9.788 ( -6.276 -18.536 21.540) 29.102 10.498 ( -0.111 -3.591 39.734) 39.896 10.595 ( -6.080 -4.334 -4.053) 8.496 11.197 ( -1.842 -7.424 14.103) 16.044 13.766 ( 0.987 5.670 -4.651) 7.400 15.863 ( 9.468 6.849 -5.068) 12.737 56.665 ( 0.305 0.617 -1.249) 1.426 ======================= Grid point 641 (361/415) ======================= q-point: ( 0.25 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 375 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.832 ( 0.000 39.471 0.000) 39.471 4.050 ( 0.000 36.164 0.000) 36.164 8.554 ( -0.000 -13.186 -0.000) 13.186 8.861 ( 0.000 3.309 0.000) 3.309 9.356 ( 0.000 36.718 0.000) 36.718 9.480 ( -0.000 -7.693 -0.000) 7.693 9.999 ( -0.000 -17.037 -0.000) 17.037 11.577 ( -0.000 -5.730 -0.000) 5.730 11.999 ( -0.000 -13.495 -0.000) 13.495 13.018 ( -0.000 -22.466 -0.000) 22.466 15.429 ( 0.000 5.849 0.000) 5.849 56.588 ( 0.000 1.344 0.000) 1.344 ======================= Grid point 642 (362/415) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 385 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.314 ( 23.153 0.000 -0.000) 23.153 5.820 ( 35.519 0.000 -0.000) 35.519 7.546 ( -12.489 -0.000 0.000) 12.489 8.508 ( 33.490 0.000 -0.000) 33.490 9.393 ( -7.351 -0.000 0.000) 7.351 10.029 ( -7.726 -0.000 0.000) 7.726 10.480 ( -11.089 -0.000 0.000) 11.089 11.429 ( -10.937 -0.000 0.000) 10.937 12.586 ( -24.403 -0.000 0.000) 24.403 13.565 ( 4.990 0.000 -0.000) 4.990 15.125 ( -5.295 -0.000 0.000) 5.295 56.590 ( 1.031 0.000 -0.000) 1.031 ======================= Grid point 645 (363/415) ======================= q-point: (-0.35 -0.54 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.733 ( 11.704 -36.413 -11.059) 39.814 6.812 ( -7.405 7.645 2.668) 10.972 7.313 ( 12.867 -3.274 -20.082) 24.074 8.870 ( -16.683 14.323 3.589) 22.279 9.071 ( -11.821 12.779 11.243) 20.723 9.531 ( -6.008 -2.495 16.028) 17.298 9.707 ( -11.157 3.624 3.790) 12.328 11.055 ( -8.142 -11.970 4.161) 15.063 11.198 ( -12.826 -11.964 -0.577) 17.550 13.799 ( 1.901 1.472 -1.933) 3.085 15.310 ( 13.348 3.068 -7.560) 15.644 56.652 ( 1.141 0.634 -0.339) 1.348 ======================= Grid point 650 (364/415) ======================= q-point: (-0.45 -0.32 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.851 ( -16.054 13.680 -23.728) 31.748 6.006 ( -2.694 -1.597 -5.793) 6.585 7.342 ( 5.187 -36.266 -0.784) 36.643 7.978 ( -1.806 14.751 5.733) 15.929 8.799 ( -0.504 1.514 -18.090) 18.160 9.622 ( -4.391 -10.041 20.850) 23.555 9.869 ( -0.255 -9.110 31.350) 32.648 10.874 ( -4.481 -11.311 -4.557) 12.992 11.178 ( -2.646 -14.112 8.796) 16.838 13.636 ( -0.476 13.294 -0.983) 13.339 15.793 ( 7.223 10.225 -5.779) 13.788 56.667 ( 0.333 1.235 -0.808) 1.513 ======================= Grid point 659 (365/415) ======================= q-point: ( 0.54 -0.54 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 710 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.518 ( -12.374 16.074 0.000) 20.285 6.845 ( 11.724 -53.719 -0.000) 54.984 7.646 ( 16.957 -6.159 -0.000) 18.041 8.297 ( -29.723 29.606 0.000) 41.952 8.838 ( -2.529 4.172 0.000) 4.879 9.352 ( -1.529 -0.924 0.000) 1.787 9.575 ( -8.177 2.766 0.000) 8.632 11.330 ( -8.088 -16.671 -0.000) 18.530 11.476 ( -11.587 -10.989 0.000) 15.970 13.777 ( -4.567 1.518 0.000) 4.812 15.305 ( 11.674 5.214 -0.000) 12.786 56.637 ( 1.048 1.097 -0.000) 1.517 ======================= Grid point 664 (366/415) ======================= q-point: ( 0.44 -0.33 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.532 ( -5.525 29.201 2.664) 29.838 5.664 ( -17.241 31.202 0.914) 35.660 7.944 ( -0.073 -6.229 -9.346) 11.231 8.480 ( 4.727 -38.752 -13.746) 41.388 9.036 ( 2.483 -8.435 -0.731) 8.823 9.399 ( -2.609 -6.449 15.267) 16.777 9.574 ( 0.211 -12.462 18.014) 21.905 11.200 ( -4.113 -11.387 -2.526) 12.367 11.388 ( -2.478 -16.979 3.148) 17.445 13.269 ( -3.862 18.674 1.900) 19.163 15.691 ( 5.343 10.341 -4.785) 12.585 56.648 ( 0.314 1.626 -0.323) 1.687 ======================= Grid point 671 (367/415) ======================= q-point: (-0.26 -0.40 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 699 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.691 ( 1.206 0.000 -28.611) 28.636 5.703 ( -20.727 0.000 -36.250) 41.757 7.190 ( 4.533 -0.000 12.497) 13.293 8.178 ( -1.772 0.000 -32.936) 32.984 9.346 ( -11.190 0.000 12.246) 16.589 9.650 ( -13.310 0.000 22.223) 25.904 10.470 ( -0.911 -0.000 40.199) 40.210 10.725 ( -9.515 0.000 -0.884) 9.556 11.161 ( -2.947 -0.000 14.031) 14.337 13.785 ( 2.644 -0.000 -5.172) 5.809 15.658 ( 17.433 -0.000 -7.001) 18.786 56.662 ( 0.580 -0.000 -1.214) 1.345 ======================= Grid point 678 (368/415) ======================= q-point: ( 0.34 -0.34 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.839 ( -6.053 32.767 0.000) 33.322 4.867 ( -20.001 38.640 0.000) 43.510 8.290 ( 0.041 -11.612 -0.000) 11.612 8.917 ( 2.518 4.087 -0.000) 4.801 9.338 ( -0.213 -6.319 -0.000) 6.323 9.502 ( 3.420 -21.634 -0.000) 21.902 9.655 ( 0.733 -14.533 -0.000) 14.552 11.389 ( 2.085 -3.890 -0.000) 4.414 11.708 ( -1.982 -15.988 -0.000) 16.111 12.976 ( -12.251 2.258 0.000) 12.457 15.546 ( 4.461 9.002 0.000) 10.046 56.617 ( 0.251 1.625 0.000) 1.644 ======================= Grid point 682 (369/415) ======================= q-point: (-0.27 0.38 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.038 ( 15.950 -0.000 -8.177) 17.924 6.903 ( 23.223 -0.000 -15.102) 27.701 7.062 ( -9.327 0.000 -0.932) 9.373 9.101 ( -6.236 0.000 6.229) 8.814 9.519 ( 0.044 -0.000 19.183) 19.183 9.698 ( -11.719 0.000 5.918) 13.129 10.026 ( -13.968 0.000 2.839) 14.253 11.080 ( -8.664 0.000 5.253) 10.132 11.422 ( -24.001 0.000 -4.622) 24.442 13.731 ( 4.455 -0.000 -2.404) 5.062 15.104 ( 9.609 -0.000 -9.369) 13.421 56.635 ( 1.218 -0.000 -0.264) 1.246 ======================= Grid point 685 (370/415) ======================= q-point: (-0.37 -0.41 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.605 ( 1.935 -29.226 -22.948) 37.209 6.422 ( -20.832 3.102 -32.519) 38.744 6.918 ( 3.044 0.034 10.806) 11.227 8.444 ( -3.402 21.207 3.125) 21.704 8.921 ( -6.271 5.734 -8.030) 11.691 9.502 ( -10.292 -15.504 20.714) 27.845 9.749 ( -2.332 -4.285 30.728) 31.112 10.813 ( -7.139 -5.717 -1.821) 9.326 10.996 ( -4.240 -9.630 10.114) 14.595 13.822 ( 1.559 5.513 -3.086) 6.507 15.741 ( 13.789 5.104 -6.317) 16.002 56.677 ( 0.672 0.692 -0.871) 1.300 ======================= Grid point 697 (371/415) ======================= q-point: (-0.37 0.37 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.552 ( 16.214 -38.660 -0.000) 41.922 6.995 ( -10.027 7.095 0.000) 12.283 7.113 ( 23.994 -3.694 -0.000) 24.277 9.028 ( -7.604 3.082 0.000) 8.205 9.280 ( -4.650 0.877 0.000) 4.732 9.389 ( -8.070 20.040 0.000) 21.604 9.898 ( -11.275 8.032 0.000) 13.844 11.182 ( -9.191 -13.266 0.000) 16.139 11.578 ( -21.760 -8.205 0.000) 23.255 13.789 ( 1.202 -3.171 -0.000) 3.391 15.177 ( 8.505 2.549 -0.000) 8.879 56.632 ( 1.214 0.552 -0.000) 1.334 ======================= Grid point 700 (372/415) ======================= q-point: ( 0.53 -0.42 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1262 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.119 ( -6.071 15.813 -0.796) 16.957 6.725 ( -24.565 18.961 -14.147) 34.104 7.312 ( 4.702 -46.174 -6.295) 46.837 7.939 ( -1.313 4.972 1.952) 5.501 8.978 ( 4.318 3.246 -1.330) 5.563 9.353 ( -6.473 -7.558 15.922) 18.776 9.402 ( -3.905 -5.630 12.428) 14.192 11.052 ( -6.398 -13.648 -1.570) 15.155 11.128 ( -5.693 -15.011 3.681) 16.471 13.662 ( -1.439 12.651 0.012) 12.732 15.721 ( 10.616 7.679 -4.557) 13.872 56.670 ( 0.679 1.308 -0.401) 1.528 ======================= Grid point 712 (373/415) ======================= q-point: (-0.28 -0.28 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 380 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.033 ( -0.000 -0.000 -33.813) 33.813 4.355 ( -0.000 -0.000 -38.617) 38.617 7.303 ( -0.000 -0.000 -49.767) 49.767 7.626 ( 0.000 0.000 15.256) 15.256 9.374 ( 0.000 0.000 14.400) 14.400 9.722 ( 0.000 0.000 10.900) 10.900 10.462 ( 0.000 0.000 3.535) 3.535 11.368 ( 0.000 0.000 43.756) 43.756 11.417 ( 0.000 0.000 15.188) 15.188 13.724 ( -0.000 -0.000 -6.068) 6.068 15.962 ( -0.000 -0.000 -3.420) 3.420 56.644 ( -0.000 -0.000 -1.503) 1.503 ======================= Grid point 715 (374/415) ======================= q-point: ( 0.42 -0.42 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.620 ( -9.060 26.951 0.000) 28.433 6.171 ( -30.478 36.345 0.000) 47.433 8.080 ( 0.249 -8.575 -0.000) 8.578 8.515 ( 8.553 -52.271 -0.000) 52.966 8.913 ( 6.365 3.658 -0.000) 7.341 9.269 ( -3.423 -4.986 0.000) 6.048 9.413 ( -2.431 -8.771 -0.000) 9.102 11.336 ( -6.214 -8.053 0.000) 10.172 11.425 ( -4.502 -17.173 -0.000) 17.754 13.370 ( -8.016 12.123 0.000) 14.534 15.602 ( 8.806 8.761 -0.000) 12.422 56.643 ( 0.591 1.596 0.000) 1.702 ======================= Grid point 724 (375/415) ======================= q-point: (-0.28 -0.50 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.162 ( 6.024 0.000 -22.109) 22.915 6.754 ( -8.568 0.000 -32.503) 33.613 6.923 ( -0.177 -0.000 7.827) 7.829 8.779 ( -8.326 0.000 -13.816) 16.131 9.358 ( -13.080 0.000 10.060) 16.502 9.455 ( -15.351 0.000 23.669) 28.211 9.795 ( -6.614 -0.000 26.338) 27.155 10.902 ( -6.934 0.000 0.666) 6.966 10.975 ( -5.089 0.000 10.994) 12.115 13.821 ( 3.370 -0.000 -3.990) 5.223 15.474 ( 17.367 -0.000 -9.136) 19.623 56.668 ( 0.927 -0.000 -0.804) 1.227 ======================= Grid point 727 (376/415) ======================= q-point: (-0.38 -0.28 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 675 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.095 ( -0.000 -32.894 -27.466) 42.853 5.146 ( 0.000 0.943 -35.843) 35.855 7.315 ( -0.000 -1.488 15.130) 15.203 8.222 ( 0.000 0.146 -36.507) 36.508 8.650 ( 0.000 25.762 14.343) 29.485 9.723 ( -0.000 -19.176 21.344) 28.693 10.498 ( -0.000 -3.607 40.675) 40.835 10.529 ( -0.000 -4.976 -5.287) 7.260 11.178 ( -0.000 -7.139 14.226) 15.917 13.776 ( 0.000 6.055 -4.562) 7.581 15.959 ( 0.000 7.069 -4.168) 8.206 56.668 ( 0.000 0.624 -1.279) 1.423 ======================= Grid point 733 (377/415) ======================= q-point: (-0.29 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 415 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.748 ( 20.246 0.000 -0.000) 20.246 6.493 ( 31.466 0.000 -0.000) 31.466 7.301 ( -11.869 -0.000 0.000) 11.869 9.049 ( 19.964 0.000 -0.000) 19.964 9.231 ( -8.596 -0.000 0.000) 8.596 9.852 ( -9.939 -0.000 0.000) 9.939 10.248 ( -12.030 -0.000 0.000) 12.030 11.216 ( -10.177 -0.000 0.000) 10.177 12.044 ( -29.023 -0.000 0.000) 29.023 13.664 ( 4.806 0.000 -0.000) 4.806 15.093 ( 2.122 0.000 -0.000) 2.122 56.613 ( 1.196 0.000 -0.000) 1.196 ======================= Grid point 738 (378/415) ======================= q-point: (-0.39 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.931 ( 7.843 -32.485 -15.184) 36.706 6.698 ( -3.676 6.209 7.230) 10.214 7.399 ( -5.846 -0.683 -27.150) 27.781 8.459 ( -19.092 23.601 12.360) 32.776 8.975 ( -0.265 2.126 8.492) 8.758 9.353 ( -10.633 -8.331 14.071) 19.506 9.504 ( -8.887 1.605 3.133) 9.558 10.908 ( -6.413 -10.811 3.861) 13.150 10.998 ( -7.883 -10.969 1.735) 13.619 13.836 ( 1.781 4.659 -1.605) 5.239 15.589 ( 13.957 3.648 -5.503) 15.440 56.674 ( 0.997 0.707 -0.412) 1.290 ======================= Grid point 741 (379/415) ======================= q-point: (-0.49 -0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 683 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.680 ( 0.000 14.108 -24.528) 28.296 5.982 ( 0.000 -0.386 -4.292) 4.309 7.398 ( -0.000 -37.307 -0.543) 37.311 7.955 ( 0.000 14.036 6.481) 15.460 8.797 ( 0.000 1.775 -20.353) 20.431 9.577 ( -0.000 -10.952 20.776) 23.486 9.867 ( -0.000 -9.356 31.588) 32.944 10.827 ( -0.000 -11.429 -4.854) 12.417 11.151 ( -0.000 -13.959 8.905) 16.558 13.631 ( 0.000 14.172 -0.874) 14.199 15.867 ( 0.000 10.519 -5.022) 11.656 56.670 ( 0.000 1.252 -0.828) 1.501 ======================= Grid point 752 (380/415) ======================= q-point: ( 0.51 -0.51 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.293 ( -9.982 18.712 0.000) 21.208 7.042 ( 6.377 -42.442 -0.000) 42.918 7.679 ( -29.332 20.234 0.000) 35.633 7.880 ( 6.288 -5.874 -0.000) 8.605 8.848 ( 3.579 1.909 -0.000) 4.056 9.277 ( -5.364 -2.906 0.000) 6.101 9.425 ( -6.680 0.793 0.000) 6.727 11.181 ( -6.663 -16.836 -0.000) 18.106 11.263 ( -9.621 -13.715 0.000) 16.753 13.704 ( -2.834 8.429 0.000) 8.893 15.548 ( 12.042 6.111 -0.000) 13.504 56.657 ( 0.931 1.246 -0.000) 1.555 ======================= Grid point 755 (381/415) ======================= q-point: ( 0.41 -0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 675 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.437 ( 0.000 34.882 -4.325) 35.149 5.524 ( 0.000 26.661 8.197) 27.893 7.942 ( -0.000 -6.549 -8.725) 10.909 8.530 ( -0.000 -38.294 -14.184) 40.837 9.062 ( -0.000 -8.623 -1.727) 8.794 9.372 ( -0.000 -7.357 15.337) 17.010 9.578 ( -0.000 -13.283 18.331) 22.638 11.156 ( -0.000 -12.137 -2.429) 12.378 11.363 ( -0.000 -17.158 3.027) 17.423 13.230 ( 0.000 21.060 2.191) 21.174 15.746 ( 0.000 10.633 -4.364) 11.494 56.652 ( 0.000 1.655 -0.332) 1.688 ======================= Grid point 764 (382/415) ======================= q-point: (-0.30 -0.37 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.707 ( 0.439 0.000 -30.240) 30.244 5.317 ( -15.407 0.000 -37.128) 40.198 7.275 ( 3.436 -0.000 14.121) 14.533 8.198 ( 2.234 0.000 -36.669) 36.737 9.159 ( -6.925 0.000 12.611) 14.387 9.432 ( -7.830 0.000 22.699) 24.011 10.460 ( -0.180 -0.000 40.237) 40.237 10.555 ( -6.686 0.000 -1.819) 6.929 11.116 ( -1.514 -0.000 14.476) 14.555 13.826 ( 1.390 0.000 -4.992) 5.182 15.934 ( 9.699 -0.000 -4.323) 10.619 56.671 ( 0.312 0.000 -1.305) 1.342 ======================= Grid point 769 (383/415) ======================= q-point: ( 0.30 -0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 415 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.659 ( 0.000 39.792 0.000) 39.792 4.777 ( 0.000 33.509 0.000) 33.509 8.289 ( -0.000 -12.097 -0.000) 12.097 8.941 ( 0.000 4.454 0.000) 4.454 9.332 ( -0.000 -6.734 -0.000) 6.734 9.542 ( -0.000 -19.807 -0.000) 19.807 9.664 ( -0.000 -15.019 -0.000) 15.019 11.414 ( -0.000 -9.776 -0.000) 9.776 11.688 ( -0.000 -16.228 -0.000) 16.228 12.845 ( 0.000 7.798 0.000) 7.798 15.591 ( 0.000 9.158 0.000) 9.158 56.619 ( 0.000 1.661 0.000) 1.661 ======================= Grid point 773 (384/415) ======================= q-point: (-0.30 -0.59 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 699 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.327 ( 12.954 -0.000 -11.083) 17.048 6.896 ( -7.155 0.000 1.948) 7.415 7.279 ( 13.313 -0.000 -20.005) 24.030 8.970 ( -6.483 0.000 6.275) 9.023 9.331 ( -17.591 0.000 18.862) 25.792 9.448 ( -13.026 0.000 6.108) 14.387 9.757 ( -12.511 0.000 1.054) 12.555 10.920 ( -7.292 0.000 5.872) 9.363 11.052 ( -12.728 0.000 0.052) 12.728 13.815 ( 3.895 -0.000 -2.282) 4.514 15.342 ( 13.613 -0.000 -7.333) 15.463 56.659 ( 1.185 -0.000 -0.357) 1.237 ======================= Grid point 779 (385/415) ======================= q-point: (-0.40 -0.37 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.629 ( 0.608 -26.466 -23.614) 35.474 6.037 ( -15.228 4.868 -33.317) 36.954 6.982 ( 2.786 -2.228 13.013) 13.493 8.381 ( -3.062 22.454 12.597) 25.928 8.857 ( -0.656 2.933 -20.598) 20.816 9.335 ( -5.989 -17.603 20.519) 27.690 9.721 ( -0.747 -4.945 32.438) 32.821 10.689 ( -4.795 -6.010 -3.822) 8.586 10.932 ( -2.159 -8.841 10.788) 14.114 13.846 ( 0.826 6.724 -2.894) 7.367 15.960 ( 7.698 5.565 -4.109) 10.349 56.688 ( 0.360 0.718 -0.935) 1.233 ======================= Grid point 788 (386/415) ======================= q-point: (-0.41 0.41 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.856 ( 14.058 -36.974 -0.000) 39.557 6.781 ( -9.988 8.842 0.000) 13.339 7.545 ( 17.320 -3.423 -0.000) 17.655 8.853 ( -27.976 21.089 0.000) 35.034 8.900 ( -4.641 1.648 0.000) 4.925 9.354 ( -4.659 1.126 0.000) 4.793 9.681 ( -10.166 6.345 0.000) 11.984 11.008 ( -8.004 -13.004 0.000) 15.270 11.206 ( -14.765 -12.759 0.000) 19.515 13.819 ( 1.677 1.800 -0.000) 2.460 15.390 ( 12.280 2.836 -0.000) 12.603 56.656 ( 1.183 0.651 -0.000) 1.351 ======================= Grid point 793 (387/415) ======================= q-point: ( 0.49 -0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.027 ( -3.019 17.447 0.425) 17.711 6.278 ( -17.181 25.888 -13.995) 34.077 7.422 ( 4.775 -50.701 -5.265) 51.197 7.902 ( -1.984 1.608 1.350) 2.888 9.059 ( 3.301 3.898 -5.374) 7.415 9.238 ( -4.563 -9.391 14.346) 17.744 9.350 ( -1.439 -8.442 15.987) 18.136 10.946 ( -3.872 -11.896 -2.395) 12.737 11.043 ( -2.843 -15.671 4.156) 16.460 13.641 ( -0.667 15.561 0.247) 15.577 15.890 ( 5.935 8.430 -3.296) 10.823 56.680 ( 0.365 1.367 -0.432) 1.480 ======================= Grid point 807 (388/415) ======================= q-point: ( 0.39 -0.39 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.481 ( -4.699 28.646 0.000) 29.029 5.669 ( -18.329 38.043 0.000) 42.228 8.068 ( -0.861 -9.563 -0.000) 9.601 8.660 ( 5.442 -52.882 -0.000) 53.161 9.014 ( 3.393 5.008 -0.000) 6.049 9.212 ( -2.181 -6.589 -0.000) 6.941 9.382 ( -0.687 -11.371 -0.000) 11.391 11.227 ( -4.227 -11.137 -0.000) 11.912 11.356 ( -2.325 -17.466 -0.000) 17.620 13.246 ( -4.188 19.220 0.000) 19.671 15.742 ( 4.902 9.485 0.000) 10.677 56.652 ( 0.323 1.690 0.000) 1.720 ======================= Grid point 814 (389/415) ======================= q-point: (-0.32 -0.46 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 699 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.255 ( 3.409 0.000 -24.859) 25.092 6.449 ( -19.438 0.000 -34.782) 39.845 6.943 ( 1.929 -0.000 11.190) 11.355 8.718 ( 1.357 0.000 -14.117) 14.182 9.110 ( -11.305 0.000 9.970) 15.073 9.166 ( -12.855 0.000 19.490) 23.347 9.705 ( -2.846 -0.000 30.655) 30.787 10.757 ( -7.302 0.000 -1.080) 7.381 10.889 ( -3.501 -0.000 11.575) 12.093 13.879 ( 2.396 -0.000 -3.730) 4.433 15.795 ( 14.099 -0.000 -5.814) 15.251 56.685 ( 0.690 -0.000 -0.912) 1.143 ======================= Grid point 825 (390/415) ======================= q-point: (-0.32 0.32 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 385 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.126 ( 17.438 0.000 -0.000) 17.438 7.070 ( 25.785 0.000 -0.000) 25.785 7.074 ( -10.702 -0.000 0.000) 10.702 9.059 ( -8.278 -0.000 0.000) 8.278 9.276 ( 1.568 0.000 -0.000) 1.568 9.633 ( -11.877 -0.000 0.000) 11.877 10.003 ( -12.295 -0.000 0.000) 12.295 11.023 ( -9.033 -0.000 0.000) 9.033 11.471 ( -26.437 -0.000 0.000) 26.437 13.756 ( 4.409 0.000 -0.000) 4.409 15.204 ( 8.611 0.000 -0.000) 8.611 56.638 ( 1.271 0.000 -0.000) 1.271 ======================= Grid point 828 (391/415) ======================= q-point: (-0.42 -0.47 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.042 ( 3.268 -24.960 -18.431) 31.199 6.668 ( 0.403 0.779 10.567) 10.604 7.100 ( -20.669 6.268 -28.959) 36.126 8.185 ( -9.023 16.937 17.791) 26.169 9.018 ( 3.617 0.142 6.124) 7.114 9.143 ( -9.512 -12.289 12.845) 20.161 9.357 ( -5.663 0.805 2.227) 6.138 10.800 ( -4.326 -9.531 3.318) 10.980 10.863 ( -5.759 -9.577 1.925) 11.340 13.868 ( 1.338 6.786 -1.394) 7.056 15.848 ( 11.413 4.259 -3.654) 12.718 56.692 ( 0.740 0.757 -0.467) 1.157 ======================= Grid point 842 (392/415) ======================= q-point: ( 0.47 -0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 710 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.122 ( -7.005 20.807 0.000) 21.955 6.872 ( -23.589 24.807 0.000) 34.232 7.396 ( 2.468 -46.203 -0.000) 46.268 7.926 ( -0.574 -6.099 -0.000) 6.126 8.957 ( 6.215 -0.541 -0.000) 6.238 9.158 ( -6.046 -6.241 0.000) 8.689 9.311 ( -4.552 0.012 0.000) 4.552 11.066 ( -4.653 -16.764 -0.000) 17.398 11.092 ( -7.311 -13.255 0.000) 15.138 13.660 ( -1.634 13.486 0.000) 13.584 15.770 ( 9.773 7.081 -0.000) 12.069 56.674 ( 0.700 1.352 0.000) 1.522 ======================= Grid point 854 (393/415) ======================= q-point: (-0.33 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 415 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.711 ( -0.000 -0.000 -30.764) 30.764 5.154 ( -0.000 -0.000 -37.518) 37.518 7.312 ( 0.000 0.000 14.692) 14.692 8.226 ( -0.000 -0.000 -37.986) 37.986 9.087 ( 0.000 0.000 12.701) 12.701 9.352 ( 0.000 0.000 22.816) 22.816 10.461 ( 0.000 0.000 41.823) 41.823 10.482 ( -0.000 -0.000 -3.776) 3.776 11.101 ( 0.000 0.000 14.620) 14.620 13.840 ( -0.000 -0.000 -4.924) 4.924 16.033 ( -0.000 -0.000 -3.360) 3.360 56.675 ( -0.000 -0.000 -1.336) 1.336 ======================= Grid point 866 (394/415) ======================= q-point: (-0.34 -0.55 0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.555 ( 9.683 -0.000 -14.439) 17.385 6.779 ( -4.412 0.000 5.669) 7.184 7.389 ( -3.326 0.000 -27.108) 27.312 8.774 ( -16.471 0.000 14.048) 21.649 9.018 ( -6.465 0.000 15.621) 16.906 9.185 ( -12.955 0.000 6.017) 14.284 9.533 ( -9.647 0.000 -0.247) 9.650 10.789 ( -5.682 0.000 6.350) 8.521 10.872 ( -6.524 0.000 1.840) 6.779 13.885 ( 3.128 -0.000 -2.114) 3.775 15.627 ( 14.293 -0.000 -5.216) 15.215 56.682 ( 1.029 -0.000 -0.433) 1.116 ======================= Grid point 869 (395/415) ======================= q-point: (-0.44 -0.34 0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 675 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.634 ( -0.000 -25.490 -23.720) 34.819 5.876 ( 0.000 5.370 -33.545) 33.972 7.012 ( -0.000 -3.163 13.683) 14.044 8.345 ( 0.000 22.267 14.981) 26.838 8.857 ( 0.000 2.870 -23.886) 24.058 9.273 ( -0.000 -18.264 20.437) 27.409 9.714 ( -0.000 -5.174 32.879) 33.284 10.638 ( -0.000 -6.263 -4.679) 7.818 10.910 ( -0.000 -8.554 10.990) 13.927 13.854 ( 0.000 7.129 -2.827) 7.669 16.039 ( 0.000 5.728 -3.327) 6.624 56.692 ( 0.000 0.726 -0.957) 1.201 ======================= Grid point 880 (396/415) ======================= q-point: ( 0.56 -0.56 0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.115 ( 11.809 -36.033 -0.000) 37.919 6.601 ( -7.926 10.426 0.000) 13.097 7.785 ( 6.490 -3.171 -0.000) 7.223 8.227 ( -33.314 23.935 0.000) 41.021 8.859 ( 0.662 -0.473 -0.000) 0.814 9.199 ( -9.728 -4.828 0.000) 10.860 9.500 ( -7.571 5.217 0.000) 9.194 10.864 ( -6.330 -12.464 -0.000) 13.980 10.980 ( -8.364 -11.613 0.000) 14.311 13.853 ( 1.633 5.178 0.000) 5.430 15.648 ( 12.888 3.353 -0.000) 13.317 56.678 ( 1.031 0.728 -0.000) 1.262 ======================= Grid point 883 (397/415) ======================= q-point: ( 0.46 -0.34 0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 683 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.999 ( 0.000 17.445 1.257) 17.491 6.097 ( 0.000 27.391 -14.336) 30.916 7.474 ( -0.000 -51.726 -4.997) 51.967 7.879 ( 0.000 1.148 1.007) 1.528 9.097 ( 0.000 5.089 -7.883) 9.383 9.186 ( -0.000 -10.840 15.155) 18.633 9.337 ( -0.000 -9.451 17.248) 19.668 10.906 ( -0.000 -11.220 -2.612) 11.520 11.014 ( -0.000 -15.840 4.140) 16.372 13.634 ( 0.000 16.536 0.316) 16.539 15.951 ( 0.000 8.701 -2.839) 9.152 56.684 ( 0.000 1.387 -0.443) 1.456 ======================= Grid point 897 (398/415) ======================= q-point: ( 0.35 -0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 375 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.434 ( 0.000 29.234 0.000) 29.234 5.479 ( 0.000 38.671 0.000) 38.671 8.058 ( -0.000 -9.985 -0.000) 9.985 8.717 ( -0.000 -53.109 -0.000) 53.109 9.047 ( 0.000 5.577 0.000) 5.577 9.189 ( -0.000 -7.374 -0.000) 7.374 9.377 ( -0.000 -12.312 -0.000) 12.312 11.182 ( -0.000 -12.055 -0.000) 12.055 11.333 ( -0.000 -17.551 -0.000) 17.551 13.204 ( 0.000 21.851 0.000) 21.851 15.792 ( 0.000 9.745 0.000) 9.745 56.655 ( 0.000 1.721 0.000) 1.721 ======================= Grid point 907 (399/415) ======================= q-point: (-0.35 -0.42 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.303 ( 1.452 0.000 -26.381) 26.421 6.084 ( -14.651 0.000 -35.868) 38.745 6.987 ( 2.008 -0.000 13.445) 13.594 8.777 ( 3.228 -0.000 -2.307) 3.968 8.923 ( -6.823 0.000 9.645) 11.815 8.961 ( -7.160 0.000 5.625) 9.105 9.668 ( -1.012 -0.000 32.835) 32.850 10.627 ( -5.091 0.000 -3.305) 6.070 10.836 ( -1.784 -0.000 11.916) 12.048 13.916 ( 1.244 -0.000 -3.540) 3.752 16.019 ( 7.869 -0.000 -3.583) 8.646 56.696 ( 0.368 -0.000 -0.978) 1.045 ======================= Grid point 916 (400/415) ======================= q-point: (-0.36 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 415 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.448 ( 14.771 0.000 -0.000) 14.771 6.875 ( -9.091 -0.000 0.000) 9.091 7.509 ( 17.469 0.000 -0.000) 17.469 8.915 ( -5.601 -0.000 0.000) 5.601 9.081 ( -20.704 -0.000 0.000) 20.704 9.381 ( -13.027 -0.000 0.000) 13.027 9.765 ( -11.134 -0.000 0.000) 11.134 10.856 ( -7.587 -0.000 0.000) 7.587 11.050 ( -14.936 -0.000 0.000) 14.936 13.839 ( 3.810 0.000 -0.000) 3.810 15.420 ( 12.498 0.000 -0.000) 12.498 56.663 ( 1.230 0.000 -0.000) 1.230 ======================= Grid point 921 (401/415) ======================= q-point: (-0.46 -0.43 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 1260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.075 ( 0.572 -17.253 -18.813) 25.533 6.660 ( -6.977 7.164 -11.967) 15.595 6.749 ( -6.549 -2.851 -3.727) 8.056 8.055 ( -4.391 12.193 17.305) 21.620 8.976 ( -5.619 -13.404 12.300) 19.040 9.100 ( 2.673 -2.681 8.941) 9.710 9.279 ( -2.142 1.800 -1.515) 3.182 10.735 ( -2.085 -8.204 1.360) 8.574 10.769 ( -3.495 -9.343 2.566) 10.300 13.889 ( 0.712 8.021 -1.271) 8.152 16.029 ( 6.388 4.706 -2.372) 8.281 56.703 ( 0.395 0.785 -0.501) 1.011 ======================= Grid point 935 (402/415) ======================= q-point: ( 0.44 -0.44 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.015 ( -3.613 22.156 0.000) 22.449 6.429 ( -17.084 34.142 0.000) 38.178 7.491 ( 4.447 -55.427 -0.000) 55.605 7.897 ( -1.603 -6.762 -0.000) 6.950 9.053 ( -3.997 -8.903 -0.000) 9.759 9.061 ( 3.639 -3.760 -0.000) 5.233 9.246 ( -1.897 1.530 0.000) 2.437 10.976 ( -4.114 -11.844 -0.000) 12.538 10.996 ( -2.359 -16.646 -0.000) 16.812 13.637 ( -0.749 16.537 0.000) 16.554 15.926 ( 5.454 7.803 -0.000) 9.520 56.685 ( 0.377 1.413 0.000) 1.463 ======================= Grid point 956 (403/415) ======================= q-point: (-0.37 -0.52 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 699 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.713 ( 6.089 -0.000 -17.926) 18.932 6.720 ( -1.593 -0.000 9.801) 9.930 7.159 ( -17.349 0.000 -32.897) 37.192 8.449 ( -13.101 0.000 27.325) 30.304 8.942 ( -10.887 0.000 5.678) 12.279 9.012 ( 2.674 -0.000 10.350) 10.690 9.379 ( -5.500 0.000 -3.140) 6.333 10.693 ( -3.891 0.000 6.690) 7.739 10.760 ( -4.876 0.000 0.570) 4.909 13.939 ( 2.189 -0.000 -1.951) 2.933 15.893 ( 11.710 -0.000 -3.349) 12.179 56.700 ( 0.760 -0.000 -0.489) 0.904 ======================= Grid point 970 (404/415) ======================= q-point: ( 0.52 -0.52 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.326 ( 9.072 -35.702 -0.000) 36.837 6.466 ( -5.499 11.712 0.000) 12.939 7.576 ( -30.112 23.948 0.000) 38.474 7.829 ( -0.970 -3.173 -0.000) 3.318 8.903 ( 2.669 -3.216 -0.000) 4.179 9.001 ( -9.411 -8.494 0.000) 12.678 9.388 ( -3.430 5.370 0.000) 6.372 10.757 ( -4.330 -11.956 -0.000) 12.716 10.848 ( -5.096 -9.030 0.000) 10.368 13.882 ( 1.246 7.375 0.000) 7.479 15.887 ( 10.546 3.941 -0.000) 11.258 56.697 ( 0.764 0.779 -0.000) 1.091 ======================= Grid point 996 (405/415) ======================= q-point: (-0.39 -0.39 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 380 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.317 ( -0.000 -0.000 -26.844) 26.844 5.928 ( -0.000 -0.000 -36.245) 36.245 7.009 ( 0.000 0.000 14.255) 14.255 8.811 ( 0.000 0.000 28.045) 28.045 8.852 ( 0.000 0.000 9.452) 9.452 8.890 ( -0.000 -0.000 -25.186) 25.186 9.659 ( 0.000 0.000 33.405) 33.405 10.573 ( -0.000 -0.000 -4.276) 4.276 10.818 ( 0.000 0.000 12.028) 12.028 13.928 ( -0.000 -0.000 -3.471) 3.471 16.099 ( -0.000 -0.000 -2.793) 2.793 56.699 ( -0.000 -0.000 -1.000) 1.000 ======================= Grid point 1008 (406/415) ======================= q-point: (-0.39 -0.61 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 385 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.718 ( 12.090 0.000 -0.000) 12.090 6.712 ( -7.131 -0.000 0.000) 7.131 7.751 ( 6.604 0.000 -0.000) 6.604 8.519 ( -32.768 -0.000 0.000) 32.768 8.850 ( -0.741 -0.000 0.000) 0.741 9.120 ( -12.804 -0.000 0.000) 12.804 9.570 ( -7.964 -0.000 0.000) 7.964 10.721 ( -5.903 -0.000 0.000) 5.903 10.848 ( -6.527 -0.000 0.000) 6.527 13.908 ( 3.034 0.000 -0.000) 3.034 15.683 ( 13.204 0.000 -0.000) 13.204 56.686 ( 1.064 0.000 -0.000) 1.064 ======================= Grid point 1012 (407/415) ======================= q-point: (-0.49 -0.39 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 675 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.079 ( -0.000 -14.421 -18.471) 23.434 6.530 ( 0.000 13.520 -27.606) 30.738 6.739 ( -0.000 -10.849 12.488) 16.542 8.009 ( 0.000 10.961 16.732) 20.003 8.917 ( -0.000 -14.474 12.343) 19.022 9.127 ( -0.000 -3.875 12.652) 13.232 9.262 ( 0.000 3.230 -5.322) 6.226 10.716 ( -0.000 -6.560 -2.605) 7.058 10.731 ( -0.000 -10.517 5.842) 12.030 13.896 ( 0.000 8.427 -1.230) 8.516 16.095 ( 0.000 4.868 -1.913) 5.230 56.707 ( 0.000 0.793 -0.512) 0.944 ======================= Grid point 1027 (408/415) ======================= q-point: ( 0.40 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 415 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.979 ( 0.000 22.621 0.000) 22.621 6.251 ( 0.000 34.847 0.000) 34.847 7.538 ( -0.000 -56.193 -0.000) 56.193 7.879 ( -0.000 -7.098 -0.000) 7.098 9.011 ( -0.000 -9.867 -0.000) 9.867 9.096 ( -0.000 -6.280 -0.000) 6.280 9.230 ( 0.000 3.544 0.000) 3.544 10.934 ( -0.000 -11.156 -0.000) 11.156 10.972 ( -0.000 -16.594 -0.000) 16.594 13.629 ( 0.000 17.555 0.000) 17.555 15.981 ( 0.000 8.067 0.000) 8.067 56.689 ( 0.000 1.434 0.000) 1.434 ======================= Grid point 1051 (409/415) ======================= q-point: (-0.41 -0.48 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.800 ( 2.722 0.000 -20.466) 20.647 6.707 ( 0.061 -0.000 13.013) 13.013 6.816 ( -14.155 0.000 -33.640) 36.497 8.259 ( -6.136 -0.000 29.695) 30.322 8.765 ( -6.404 0.000 5.247) 8.279 9.062 ( 1.564 -0.000 14.592) 14.675 9.316 ( -1.058 0.000 -8.461) 8.527 10.634 ( -1.977 -0.000 6.894) 7.171 10.678 ( -3.059 0.000 -1.516) 3.414 13.972 ( 1.127 -0.000 -1.836) 2.154 16.079 ( 6.558 -0.000 -2.068) 6.877 56.711 ( 0.404 -0.000 -0.524) 0.661 ======================= Grid point 1065 (410/415) ======================= q-point: ( 0.49 -0.49 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.382 ( -2.817 12.550 0.000) 12.862 6.472 ( 5.364 -36.010 -0.000) 36.407 7.079 ( -18.219 23.850 0.000) 30.013 7.790 ( -2.100 -3.498 0.000) 4.080 8.845 ( -5.709 -10.340 0.000) 11.811 8.938 ( 0.788 -5.342 -0.000) 5.400 9.358 ( -0.088 6.099 0.000) 6.100 10.692 ( -2.180 -11.642 -0.000) 11.844 10.771 ( -2.665 -7.228 -0.000) 7.704 13.902 ( 0.666 8.627 0.000) 8.653 16.055 ( 5.904 4.388 -0.000) 7.356 56.708 ( 0.407 0.808 0.000) 0.905 ======================= Grid point 1100 (411/415) ======================= q-point: (-0.43 -0.57 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 415 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.930 ( 8.993 0.000 -0.000) 8.993 6.591 ( -4.907 -0.000 0.000) 4.907 7.795 ( -1.080 -0.000 0.000) 1.080 7.865 ( -30.531 -0.000 0.000) 30.531 8.865 ( 1.263 0.000 -0.000) 1.263 8.881 ( -10.631 -0.000 0.000) 10.631 9.458 ( -3.179 -0.000 0.000) 3.179 10.621 ( -4.039 -0.000 0.000) 4.039 10.750 ( -3.683 -0.000 0.000) 3.683 13.960 ( 2.111 0.000 -0.000) 2.111 15.929 ( 10.841 0.000 -0.000) 10.841 56.705 ( 0.784 0.000 -0.000) 0.784 ======================= Grid point 1141 (412/415) ======================= q-point: (-0.44 -0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 415 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.827 ( -0.000 -0.000 -21.321) 21.321 6.665 ( -0.000 -0.000 -33.468) 33.468 6.710 ( 0.000 0.000 14.168) 14.168 8.198 ( 0.000 0.000 29.690) 29.690 8.699 ( 0.000 0.000 5.038) 5.038 9.075 ( 0.000 0.000 17.058) 17.058 9.312 ( -0.000 -0.000 -10.715) 10.715 10.614 ( 0.000 0.000 6.962) 6.962 10.646 ( -0.000 -0.000 -2.507) 2.507 13.984 ( -0.000 -0.000 -1.794) 1.794 16.146 ( -0.000 -0.000 -1.613) 1.613 56.716 ( -0.000 -0.000 -0.535) 0.535 ======================= Grid point 1157 (413/415) ======================= q-point: ( 0.45 -0.45 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 375 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.354 ( 0.000 12.841 0.000) 12.841 6.530 ( -0.000 -37.118 -0.000) 37.118 6.888 ( 0.000 24.751 0.000) 24.751 7.766 ( -0.000 -3.684 -0.000) 3.684 8.785 ( -0.000 -10.894 -0.000) 10.894 8.944 ( -0.000 -5.940 -0.000) 5.940 9.361 ( 0.000 6.284 0.000) 6.284 10.670 ( -0.000 -11.543 -0.000) 11.543 10.743 ( -0.000 -6.613 -0.000) 6.613 13.908 ( 0.000 9.036 0.000) 9.036 16.115 ( 0.000 4.553 0.000) 4.553 56.713 ( 0.000 0.817 0.000) 0.817 ======================= Grid point 1195 (414/415) ======================= q-point: (-0.46 -0.54 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 385 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.072 ( 4.970 0.000 -0.000) 4.970 6.516 ( -2.501 -0.000 0.000) 2.501 7.363 ( -18.194 -0.000 0.000) 18.194 7.753 ( -2.274 -0.000 0.000) 2.274 8.709 ( -6.184 -0.000 0.000) 6.184 8.879 ( 0.156 0.000 -0.000) 0.156 9.432 ( 0.052 0.000 -0.000) 0.052 10.560 ( -2.051 -0.000 0.000) 2.051 10.693 ( -1.977 -0.000 0.000) 1.977 13.992 ( 1.083 0.000 -0.000) 1.083 16.102 ( 6.077 0.000 -0.000) 6.077 56.717 ( 0.416 0.000 -0.000) 0.416 ======================= Grid point 1286 (415/415) ======================= q-point: ( 0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.39e-05 7.39e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.123 ( 0.000 -0.000 -0.000) 0.000 6.491 ( 0.000 -0.000 -0.000) 0.000 7.175 ( 0.000 0.000 -0.000) 0.000 7.727 ( 0.000 0.000 -0.000) 0.000 8.645 ( 0.000 0.000 -0.000) 0.000 8.879 ( 0.000 0.000 -0.000) 0.000 9.436 ( 0.000 0.000 -0.000) 0.000 10.539 ( 0.000 -0.000 -0.000) 0.000 10.673 ( 0.000 0.000 -0.000) 0.000 14.003 ( 0.000 0.000 -0.000) 0.000 16.164 ( 0.000 0.000 -0.000) 0.000 56.721 ( 0.000 0.000 -0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/30240 10.0 2340.228 2150.017 1151.308 0.000 -0.000 0.000 3/30240 20.0 1706.148 902.754 1543.504 0.000 0.000 0.000 3/30240 30.0 958.771 694.443 937.951 0.000 0.000 0.000 3/30240 40.0 485.333 470.985 462.718 0.000 0.000 0.000 3/30240 50.0 251.920 296.121 236.188 0.000 0.000 0.000 3/30240 60.0 149.023 199.465 139.391 0.000 0.000 0.000 3/30240 70.0 99.435 145.461 93.091 0.000 0.000 0.000 3/30240 80.0 72.524 112.692 67.959 0.000 0.000 0.000 3/30240 90.0 56.374 91.269 52.886 0.000 0.000 0.000 3/30240 100.0 45.883 76.420 43.136 0.000 0.000 0.000 3/30240 110.0 38.634 65.642 36.449 0.000 0.000 0.000 3/30240 120.0 33.372 57.525 31.642 0.000 0.000 0.000 3/30240 130.0 29.399 51.222 28.050 0.000 0.000 0.000 3/30240 140.0 26.303 46.201 25.277 0.000 0.000 0.000 3/30240 150.0 23.826 42.114 23.077 0.000 0.000 0.000 3/30240 160.0 21.800 38.726 21.289 0.000 0.000 0.000 3/30240 170.0 20.112 35.872 19.806 0.000 0.000 0.000 3/30240 180.0 18.684 33.434 18.553 0.000 0.000 0.000 3/30240 190.0 17.458 31.328 17.479 0.000 0.000 0.000 3/30240 200.0 16.395 29.489 16.546 0.000 0.000 0.000 3/30240 210.0 15.463 27.868 15.725 0.000 0.000 0.000 3/30240 220.0 14.639 26.428 14.996 0.000 0.000 0.000 3/30240 230.0 13.904 25.139 14.343 0.000 0.000 0.000 3/30240 240.0 13.244 23.979 13.753 0.000 0.000 0.000 3/30240 250.0 12.649 22.927 13.217 0.000 0.000 0.000 3/30240 260.0 12.108 21.969 12.727 0.000 0.000 0.000 3/30240 270.0 11.614 21.093 12.276 0.000 0.000 0.000 3/30240 280.0 11.161 20.288 11.860 0.000 0.000 0.000 3/30240 290.0 10.745 19.546 11.474 0.000 0.000 0.000 3/30240 300.0 10.360 18.859 11.116 0.000 0.000 0.000 3/30240 310.0 10.003 18.220 10.780 0.000 0.000 0.000 3/30240 320.0 9.671 17.626 10.467 0.000 0.000 0.000 3/30240 330.0 9.362 17.071 10.172 0.000 0.000 0.000 3/30240 340.0 9.073 16.552 9.894 0.000 0.000 0.000 3/30240 350.0 8.802 16.064 9.633 0.000 0.000 0.000 3/30240 360.0 8.547 15.606 9.385 0.000 0.000 0.000 3/30240 370.0 8.307 15.174 9.151 0.000 0.000 0.000 3/30240 380.0 8.081 14.766 8.929 0.000 0.000 0.000 3/30240 390.0 7.867 14.380 8.717 0.000 0.000 0.000 3/30240 400.0 7.665 14.015 8.516 0.000 0.000 0.000 3/30240 410.0 7.473 13.668 8.325 0.000 0.000 0.000 3/30240 420.0 7.291 13.339 8.142 0.000 0.000 0.000 3/30240 430.0 7.118 13.025 7.967 0.000 0.000 0.000 3/30240 440.0 6.953 12.727 7.800 0.000 0.000 0.000 3/30240 450.0 6.796 12.442 7.640 0.000 0.000 0.000 3/30240 460.0 6.646 12.170 7.486 0.000 0.000 0.000 3/30240 470.0 6.502 11.909 7.339 0.000 0.000 0.000 3/30240 480.0 6.365 11.660 7.197 0.000 0.000 0.000 3/30240 490.0 6.234 11.422 7.061 0.000 0.000 0.000 3/30240 500.0 6.108 11.193 6.930 0.000 0.000 0.000 3/30240 510.0 5.987 10.973 6.804 0.000 0.000 0.000 3/30240 520.0 5.871 10.762 6.683 0.000 0.000 0.000 3/30240 530.0 5.760 10.560 6.566 0.000 0.000 0.000 3/30240 540.0 5.652 10.364 6.453 0.000 0.000 0.000 3/30240 550.0 5.549 10.176 6.344 0.000 0.000 0.000 3/30240 560.0 5.450 9.995 6.238 0.000 0.000 0.000 3/30240 570.0 5.354 9.821 6.136 0.000 0.000 0.000 3/30240 580.0 5.261 9.652 6.038 0.000 0.000 0.000 3/30240 590.0 5.172 9.489 5.942 0.000 0.000 0.000 3/30240 600.0 5.085 9.332 5.850 0.000 0.000 0.000 3/30240 610.0 5.002 9.180 5.760 0.000 0.000 0.000 3/30240 620.0 4.921 9.032 5.673 0.000 0.000 0.000 3/30240 630.0 4.843 8.890 5.589 0.000 0.000 0.000 3/30240 640.0 4.768 8.752 5.507 0.000 0.000 0.000 3/30240 650.0 4.694 8.618 5.428 0.000 0.000 0.000 3/30240 660.0 4.623 8.489 5.351 0.000 0.000 0.000 3/30240 670.0 4.554 8.363 5.276 0.000 0.000 0.000 3/30240 680.0 4.488 8.241 5.203 0.000 0.000 0.000 3/30240 690.0 4.423 8.122 5.132 0.000 0.000 0.000 3/30240 700.0 4.360 8.007 5.063 0.000 0.000 0.000 3/30240 710.0 4.299 7.895 4.996 0.000 0.000 0.000 3/30240 720.0 4.239 7.787 4.931 0.000 0.000 0.000 3/30240 730.0 4.181 7.681 4.867 0.000 0.000 0.000 3/30240 740.0 4.125 7.578 4.805 0.000 0.000 0.000 3/30240 750.0 4.070 7.478 4.744 0.000 0.000 0.000 3/30240 760.0 4.017 7.380 4.685 0.000 0.000 0.000 3/30240 770.0 3.965 7.286 4.628 0.000 0.000 0.000 3/30240 780.0 3.914 7.193 4.572 0.000 0.000 0.000 3/30240 790.0 3.865 7.103 4.517 0.000 0.000 0.000 3/30240 800.0 3.817 7.015 4.464 0.000 0.000 0.000 3/30240 810.0 3.770 6.929 4.412 0.000 0.000 0.000 3/30240 820.0 3.725 6.845 4.361 0.000 0.000 0.000 3/30240 830.0 3.680 6.764 4.311 0.000 0.000 0.000 3/30240 840.0 3.636 6.684 4.262 0.000 0.000 0.000 3/30240 850.0 3.594 6.606 4.214 0.000 0.000 0.000 3/30240 860.0 3.552 6.530 4.168 0.000 0.000 0.000 3/30240 870.0 3.512 6.456 4.122 0.000 0.000 0.000 3/30240 880.0 3.472 6.383 4.078 0.000 0.000 0.000 3/30240 890.0 3.433 6.312 4.034 0.000 0.000 0.000 3/30240 900.0 3.395 6.243 3.992 0.000 0.000 0.000 3/30240 910.0 3.358 6.175 3.950 0.000 0.000 0.000 3/30240 920.0 3.322 6.109 3.909 0.000 0.000 0.000 3/30240 930.0 3.287 6.044 3.869 0.000 0.000 0.000 3/30240 940.0 3.252 5.980 3.830 0.000 0.000 0.000 3/30240 950.0 3.218 5.918 3.791 0.000 0.000 0.000 3/30240 960.0 3.185 5.857 3.754 0.000 0.000 0.000 3/30240 970.0 3.152 5.797 3.717 0.000 0.000 0.000 3/30240 980.0 3.120 5.738 3.681 0.000 0.000 0.000 3/30240 990.0 3.089 5.681 3.645 0.000 0.000 0.000 3/30240 1000.0 3.058 5.625 3.610 0.000 0.000 0.000 3/30240 Thermal conductivity related properties were written into "kappa-m121260.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 18:49:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|