----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 17:44:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 3 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.803285320004052 -2.115377930000000 0.000000000000000 b 4.803285320004052 2.115377930000000 0.000000000000000 c -1.027883075411101 0.000000000000000 7.116090115340045 Atomic positions (fractional): *1 Sr 0.68229927407944 0.68229927407944 0.27042372726811 87.620 2 Sr 0.31770072592056 0.31770072592056 0.72957627273189 87.620 *3 C 0.00000000000000 0.00000000000000 0.50000000000000 12.011 *4 N 0.11618719254428 0.11618719254428 0.44499790117744 14.007 5 N 0.88381280745572 0.88381280745572 0.55500209882256 14.007 *6 Cl 0.37047965665972 0.37047965665972 0.14919926866584 35.453 7 Cl 0.62952034334028 0.62952034334028 0.85080073133416 35.453 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.606570640008105 0.000000000000000 0.000000000000000 b 0.000000000000000 4.230755860000000 0.000000000000000 c -1.027883075411101 0.000000000000000 7.116090115340045 Atomic positions (fractional): *1 Sr 0.18229927407944 0.50000000000000 0.27042372726811 87.620 > 1 2 Sr 0.31770072592056 0.00000000000000 0.72957627273189 87.620 > 2 3 Sr 0.68229927407944 0.00000000000000 0.27042372726811 87.620 > 1 4 Sr 0.81770072592056 0.50000000000000 0.72957627273189 87.620 > 2 *5 C 0.00000000000000 0.00000000000000 0.50000000000000 12.011 > 3 6 C 0.50000000000000 0.50000000000000 0.50000000000000 12.011 > 3 *7 N 0.11618719254428 0.00000000000000 0.44499790117744 14.007 > 4 8 N 0.38381280745572 0.50000000000000 0.55500209882256 14.007 > 5 9 N 0.61618719254428 0.50000000000000 0.44499790117744 14.007 > 4 10 N 0.88381280745572 0.00000000000000 0.55500209882256 14.007 > 5 *11 Cl 0.37047965665972 0.00000000000000 0.14919926866584 35.453 > 6 12 Cl 0.12952034334028 0.50000000000000 0.85080073133416 35.453 > 7 13 Cl 0.87047965665972 0.50000000000000 0.14919926866584 35.453 > 6 14 Cl 0.62952034334028 0.00000000000000 0.85080073133416 35.453 > 7 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.606570640008105 0.000000000000000 0.000000000000000 b 0.000000000000000 12.692267580000001 0.000000000000000 c -2.055766150822202 0.000000000000000 14.232180230680090 Atomic positions (fractional): *1 Sr 0.18229927407944 0.16666666666667 0.13521186363405 87.620 > 1 2 Sr 0.18229927407944 0.50000000000000 0.13521186363405 87.620 > 1 3 Sr 0.18229927407944 0.83333333333333 0.13521186363405 87.620 > 1 4 Sr 0.18229927407944 0.16666666666667 0.63521186363406 87.620 > 1 5 Sr 0.18229927407944 0.50000000000000 0.63521186363406 87.620 > 1 6 Sr 0.18229927407944 0.83333333333333 0.63521186363406 87.620 > 1 7 Sr 0.31770072592056 0.00000000000000 0.36478813636594 87.620 > 2 8 Sr 0.31770072592056 0.33333333333333 0.36478813636594 87.620 > 2 9 Sr 0.31770072592056 0.66666666666667 0.36478813636594 87.620 > 2 10 Sr 0.31770072592056 0.00000000000000 0.86478813636594 87.620 > 2 11 Sr 0.31770072592056 0.33333333333333 0.86478813636594 87.620 > 2 12 Sr 0.31770072592056 0.66666666666667 0.86478813636594 87.620 > 2 13 Sr 0.68229927407944 0.00000000000000 0.13521186363405 87.620 > 1 14 Sr 0.68229927407944 0.33333333333333 0.13521186363405 87.620 > 1 15 Sr 0.68229927407944 0.66666666666667 0.13521186363405 87.620 > 1 16 Sr 0.68229927407944 0.00000000000000 0.63521186363406 87.620 > 1 17 Sr 0.68229927407944 0.33333333333333 0.63521186363406 87.620 > 1 18 Sr 0.68229927407944 0.66666666666667 0.63521186363406 87.620 > 1 19 Sr 0.81770072592056 0.16666666666667 0.36478813636594 87.620 > 2 20 Sr 0.81770072592056 0.50000000000000 0.36478813636594 87.620 > 2 21 Sr 0.81770072592056 0.83333333333333 0.36478813636594 87.620 > 2 22 Sr 0.81770072592056 0.16666666666667 0.86478813636594 87.620 > 2 23 Sr 0.81770072592056 0.50000000000000 0.86478813636594 87.620 > 2 24 Sr 0.81770072592056 0.83333333333333 0.86478813636594 87.620 > 2 *25 C 0.00000000000000 0.00000000000000 0.25000000000000 12.011 > 3 26 C 0.00000000000000 0.33333333333333 0.25000000000000 12.011 > 3 27 C 0.00000000000000 0.66666666666667 0.25000000000000 12.011 > 3 28 C 0.00000000000000 0.00000000000000 0.75000000000000 12.011 > 3 29 C 0.00000000000000 0.33333333333333 0.75000000000000 12.011 > 3 30 C 0.00000000000000 0.66666666666667 0.75000000000000 12.011 > 3 31 C 0.50000000000000 0.16666666666667 0.25000000000000 12.011 > 3 32 C 0.50000000000000 0.50000000000000 0.25000000000000 12.011 > 3 33 C 0.50000000000000 0.83333333333333 0.25000000000000 12.011 > 3 34 C 0.50000000000000 0.16666666666667 0.75000000000000 12.011 > 3 35 C 0.50000000000000 0.50000000000000 0.75000000000000 12.011 > 3 36 C 0.50000000000000 0.83333333333333 0.75000000000000 12.011 > 3 *37 N 0.11618719254428 0.00000000000000 0.22249895058872 14.007 > 4 38 N 0.11618719254428 0.33333333333333 0.22249895058872 14.007 > 4 39 N 0.11618719254428 0.66666666666667 0.22249895058872 14.007 > 4 40 N 0.11618719254428 0.00000000000000 0.72249895058872 14.007 > 4 41 N 0.11618719254428 0.33333333333333 0.72249895058872 14.007 > 4 42 N 0.11618719254428 0.66666666666667 0.72249895058872 14.007 > 4 43 N 0.38381280745572 0.16666666666667 0.27750104941128 14.007 > 5 44 N 0.38381280745572 0.50000000000000 0.27750104941128 14.007 > 5 45 N 0.38381280745572 0.83333333333333 0.27750104941128 14.007 > 5 46 N 0.38381280745572 0.16666666666667 0.77750104941128 14.007 > 5 47 N 0.38381280745572 0.50000000000000 0.77750104941128 14.007 > 5 48 N 0.38381280745572 0.83333333333333 0.77750104941128 14.007 > 5 49 N 0.61618719254428 0.16666666666667 0.22249895058872 14.007 > 4 50 N 0.61618719254428 0.50000000000000 0.22249895058872 14.007 > 4 51 N 0.61618719254428 0.83333333333333 0.22249895058872 14.007 > 4 52 N 0.61618719254428 0.16666666666667 0.72249895058872 14.007 > 4 53 N 0.61618719254428 0.50000000000000 0.72249895058872 14.007 > 4 54 N 0.61618719254428 0.83333333333333 0.72249895058872 14.007 > 4 55 N 0.88381280745572 0.00000000000000 0.27750104941128 14.007 > 5 56 N 0.88381280745572 0.33333333333333 0.27750104941128 14.007 > 5 57 N 0.88381280745572 0.66666666666667 0.27750104941128 14.007 > 5 58 N 0.88381280745572 0.00000000000000 0.77750104941128 14.007 > 5 59 N 0.88381280745572 0.33333333333333 0.77750104941128 14.007 > 5 60 N 0.88381280745572 0.66666666666667 0.77750104941128 14.007 > 5 *61 Cl 0.37047965665972 0.00000000000000 0.07459963433292 35.453 > 6 62 Cl 0.37047965665972 0.33333333333333 0.07459963433292 35.453 > 6 63 Cl 0.37047965665972 0.66666666666667 0.07459963433292 35.453 > 6 64 Cl 0.37047965665972 0.00000000000000 0.57459963433292 35.453 > 6 65 Cl 0.37047965665972 0.33333333333333 0.57459963433292 35.453 > 6 66 Cl 0.37047965665972 0.66666666666667 0.57459963433292 35.453 > 6 67 Cl 0.12952034334028 0.16666666666667 0.42540036566708 35.453 > 7 68 Cl 0.12952034334028 0.50000000000000 0.42540036566708 35.453 > 7 69 Cl 0.12952034334028 0.83333333333333 0.42540036566708 35.453 > 7 70 Cl 0.12952034334028 0.16666666666667 0.92540036566708 35.453 > 7 71 Cl 0.12952034334028 0.50000000000000 0.92540036566708 35.453 > 7 72 Cl 0.12952034334028 0.83333333333333 0.92540036566708 35.453 > 7 73 Cl 0.87047965665972 0.16666666666667 0.07459963433292 35.453 > 6 74 Cl 0.87047965665972 0.50000000000000 0.07459963433292 35.453 > 6 75 Cl 0.87047965665972 0.83333333333333 0.07459963433292 35.453 > 6 76 Cl 0.87047965665972 0.16666666666667 0.57459963433292 35.453 > 6 77 Cl 0.87047965665972 0.50000000000000 0.57459963433292 35.453 > 6 78 Cl 0.87047965665972 0.83333333333333 0.57459963433292 35.453 > 6 79 Cl 0.62952034334028 0.00000000000000 0.42540036566708 35.453 > 7 80 Cl 0.62952034334028 0.33333333333333 0.42540036566708 35.453 > 7 81 Cl 0.62952034334028 0.66666666666667 0.42540036566708 35.453 > 7 82 Cl 0.62952034334028 0.00000000000000 0.92540036566708 35.453 > 7 83 Cl 0.62952034334028 0.33333333333333 0.92540036566708 35.453 > 7 84 Cl 0.62952034334028 0.66666666666667 0.92540036566708 35.453 > 7 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.6740887 0.0000000 -0.1823146 0.0000000 2.9060370 0.0000000 -0.1823153 0.0000000 3.0259230 -------------------------- Born effective charges -------------------------- 1 Sr 2.6376421 0.0000000 0.0231213 0.0000000 2.4030047 0.0000000 -0.0376093 0.0000000 2.3930632 2 Sr 2.6376421 0.0000000 0.0231213 0.0000000 2.4030047 0.0000000 -0.0376093 0.0000000 2.3930632 3 C 4.1165397 0.0000000 -1.3695553 0.0000000 -0.1485400 0.0000000 -1.1416598 0.0000000 0.3401749 4 N -3.3679450 0.0000000 0.6317211 0.0000000 -1.2631364 0.0000000 0.5964389 0.0000000 -1.3654123 5 N -3.3679450 0.0000000 0.6317211 0.0000000 -1.2631364 0.0000000 0.5964389 0.0000000 -1.3654123 6 Cl -1.3279669 0.0000000 0.0299353 0.0000000 -1.0655983 0.0000000 0.0120003 0.0000000 -1.1977383 7 Cl -1.3279669 0.0000000 0.0299353 0.0000000 -1.0655983 0.0000000 0.0120003 0.0000000 -1.1977383 ---------------------------------------------------------------------------- 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: 252/252 Permutation basis: 3144/3144 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 776 Number of blocks in projector: 776 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: 200 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 128 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 128 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 128 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 96 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 96 Use standard eigh solver. Tree of FC basis block matrices: - (776, 757), data: False |-- (96, 96), data: True |-- (96, 96), data: True |-- (128, 124), data: True |-- (128, 124), data: True |-- (128, 124), data: True |-- (200, 193), data: True ----- Solver_atoms: 1 -- 84 / 84 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 240 - Time: 0.522 Solver_block: 200 / 240 - Time: 0.526 Solver_block: 240 / 240 - Time: 0.245 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.306 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 252/252 Permutation basis: 3144/3144 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 776 Number of blocks in projector: 776 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: 200 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 128 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 128 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 128 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 96 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 96 Use standard eigh solver. Tree of FC basis block matrices: - (776, 757), data: False |-- (96, 96), data: True |-- (96, 96), data: True |-- (128, 124), data: True |-- (128, 124), data: True |-- (128, 124), data: True |-- (200, 193), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 17:44:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 17:44:28]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 3 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.803285320004052 -2.115377930000000 0.000000000000000 b 4.803285320004052 2.115377930000000 0.000000000000000 c -1.027883075411101 0.000000000000000 7.116090115340045 Atomic positions (fractional): 1 Sr 0.68229927407944 0.68229927407944 0.27042372726811 87.620 2 Sr 0.31770072592056 0.31770072592056 0.72957627273189 87.620 3 C 0.00000000000000 0.00000000000000 0.50000000000000 12.011 4 N 0.11618719254428 0.11618719254428 0.44499790117744 14.007 5 N 0.88381280745572 0.88381280745572 0.55500209882256 14.007 6 Cl 0.37047965665972 0.37047965665972 0.14919926866584 35.453 7 Cl 0.62952034334028 0.62952034334028 0.85080073133416 35.453 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.606570640008105 0.000000000000000 0.000000000000000 b 0.000000000000000 12.692267580000001 0.000000000000000 c -2.055766150822202 0.000000000000000 14.232180230680090 Atomic positions (fractional): 1 Sr 0.18229927407944 0.16666666666667 0.13521186363405 87.620 > 1 2 Sr 0.18229927407944 0.50000000000000 0.13521186363405 87.620 > 1 3 Sr 0.18229927407944 0.83333333333333 0.13521186363405 87.620 > 1 4 Sr 0.18229927407944 0.16666666666667 0.63521186363406 87.620 > 1 5 Sr 0.18229927407944 0.50000000000000 0.63521186363406 87.620 > 1 6 Sr 0.18229927407944 0.83333333333333 0.63521186363406 87.620 > 1 7 Sr 0.31770072592056 0.00000000000000 0.36478813636594 87.620 > 7 8 Sr 0.31770072592056 0.33333333333333 0.36478813636594 87.620 > 7 9 Sr 0.31770072592056 0.66666666666667 0.36478813636594 87.620 > 7 10 Sr 0.31770072592056 0.00000000000000 0.86478813636594 87.620 > 7 11 Sr 0.31770072592056 0.33333333333333 0.86478813636594 87.620 > 7 12 Sr 0.31770072592056 0.66666666666667 0.86478813636594 87.620 > 7 13 Sr 0.68229927407944 0.00000000000000 0.13521186363405 87.620 > 1 14 Sr 0.68229927407944 0.33333333333333 0.13521186363405 87.620 > 1 15 Sr 0.68229927407944 0.66666666666667 0.13521186363405 87.620 > 1 16 Sr 0.68229927407944 0.00000000000000 0.63521186363406 87.620 > 1 17 Sr 0.68229927407944 0.33333333333333 0.63521186363406 87.620 > 1 18 Sr 0.68229927407944 0.66666666666667 0.63521186363406 87.620 > 1 19 Sr 0.81770072592056 0.16666666666667 0.36478813636594 87.620 > 7 20 Sr 0.81770072592056 0.50000000000000 0.36478813636594 87.620 > 7 21 Sr 0.81770072592056 0.83333333333333 0.36478813636594 87.620 > 7 22 Sr 0.81770072592056 0.16666666666667 0.86478813636594 87.620 > 7 23 Sr 0.81770072592056 0.50000000000000 0.86478813636594 87.620 > 7 24 Sr 0.81770072592056 0.83333333333333 0.86478813636594 87.620 > 7 25 C 0.00000000000000 0.00000000000000 0.25000000000000 12.011 > 25 26 C 0.00000000000000 0.33333333333333 0.25000000000000 12.011 > 25 27 C 0.00000000000000 0.66666666666667 0.25000000000000 12.011 > 25 28 C 0.00000000000000 0.00000000000000 0.75000000000000 12.011 > 25 29 C 0.00000000000000 0.33333333333333 0.75000000000000 12.011 > 25 30 C 0.00000000000000 0.66666666666667 0.75000000000000 12.011 > 25 31 C 0.50000000000000 0.16666666666667 0.25000000000000 12.011 > 25 32 C 0.50000000000000 0.50000000000000 0.25000000000000 12.011 > 25 33 C 0.50000000000000 0.83333333333333 0.25000000000000 12.011 > 25 34 C 0.50000000000000 0.16666666666667 0.75000000000000 12.011 > 25 35 C 0.50000000000000 0.50000000000000 0.75000000000000 12.011 > 25 36 C 0.50000000000000 0.83333333333333 0.75000000000000 12.011 > 25 37 N 0.11618719254428 0.00000000000000 0.22249895058872 14.007 > 37 38 N 0.11618719254428 0.33333333333333 0.22249895058872 14.007 > 37 39 N 0.11618719254428 0.66666666666667 0.22249895058872 14.007 > 37 40 N 0.11618719254428 0.00000000000000 0.72249895058872 14.007 > 37 41 N 0.11618719254428 0.33333333333333 0.72249895058872 14.007 > 37 42 N 0.11618719254428 0.66666666666667 0.72249895058872 14.007 > 37 43 N 0.38381280745572 0.16666666666667 0.27750104941128 14.007 > 43 44 N 0.38381280745572 0.50000000000000 0.27750104941128 14.007 > 43 45 N 0.38381280745572 0.83333333333333 0.27750104941128 14.007 > 43 46 N 0.38381280745572 0.16666666666667 0.77750104941128 14.007 > 43 47 N 0.38381280745572 0.50000000000000 0.77750104941128 14.007 > 43 48 N 0.38381280745572 0.83333333333333 0.77750104941128 14.007 > 43 49 N 0.61618719254428 0.16666666666667 0.22249895058872 14.007 > 37 50 N 0.61618719254428 0.50000000000000 0.22249895058872 14.007 > 37 51 N 0.61618719254428 0.83333333333333 0.22249895058872 14.007 > 37 52 N 0.61618719254428 0.16666666666667 0.72249895058872 14.007 > 37 53 N 0.61618719254428 0.50000000000000 0.72249895058872 14.007 > 37 54 N 0.61618719254428 0.83333333333333 0.72249895058872 14.007 > 37 55 N 0.88381280745572 0.00000000000000 0.27750104941128 14.007 > 43 56 N 0.88381280745572 0.33333333333333 0.27750104941128 14.007 > 43 57 N 0.88381280745572 0.66666666666667 0.27750104941128 14.007 > 43 58 N 0.88381280745572 0.00000000000000 0.77750104941128 14.007 > 43 59 N 0.88381280745572 0.33333333333333 0.77750104941128 14.007 > 43 60 N 0.88381280745572 0.66666666666667 0.77750104941128 14.007 > 43 61 Cl 0.37047965665972 0.00000000000000 0.07459963433292 35.453 > 61 62 Cl 0.37047965665972 0.33333333333333 0.07459963433292 35.453 > 61 63 Cl 0.37047965665972 0.66666666666667 0.07459963433292 35.453 > 61 64 Cl 0.37047965665972 0.00000000000000 0.57459963433292 35.453 > 61 65 Cl 0.37047965665972 0.33333333333333 0.57459963433292 35.453 > 61 66 Cl 0.37047965665972 0.66666666666667 0.57459963433292 35.453 > 61 67 Cl 0.12952034334028 0.16666666666667 0.42540036566708 35.453 > 67 68 Cl 0.12952034334028 0.50000000000000 0.42540036566708 35.453 > 67 69 Cl 0.12952034334028 0.83333333333333 0.42540036566708 35.453 > 67 70 Cl 0.12952034334028 0.16666666666667 0.92540036566708 35.453 > 67 71 Cl 0.12952034334028 0.50000000000000 0.92540036566708 35.453 > 67 72 Cl 0.12952034334028 0.83333333333333 0.92540036566708 35.453 > 67 73 Cl 0.87047965665972 0.16666666666667 0.07459963433292 35.453 > 61 74 Cl 0.87047965665972 0.50000000000000 0.07459963433292 35.453 > 61 75 Cl 0.87047965665972 0.83333333333333 0.07459963433292 35.453 > 61 76 Cl 0.87047965665972 0.16666666666667 0.57459963433292 35.453 > 61 77 Cl 0.87047965665972 0.50000000000000 0.57459963433292 35.453 > 61 78 Cl 0.87047965665972 0.83333333333333 0.57459963433292 35.453 > 61 79 Cl 0.62952034334028 0.00000000000000 0.42540036566708 35.453 > 67 80 Cl 0.62952034334028 0.33333333333333 0.42540036566708 35.453 > 67 81 Cl 0.62952034334028 0.66666666666667 0.42540036566708 35.453 > 67 82 Cl 0.62952034334028 0.00000000000000 0.92540036566708 35.453 > 67 83 Cl 0.62952034334028 0.33333333333333 0.92540036566708 35.453 > 67 84 Cl 0.62952034334028 0.66666666666667 0.92540036566708 35.453 > 67 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.6740887 0.0000000 -0.1823146 0.0000000 2.9060370 0.0000000 -0.1823153 0.0000000 3.0259230 -------------------------- Born effective charges -------------------------- 1 Sr 2.6376421 0.0000000 0.0231213 0.0000000 2.4030047 0.0000000 -0.0376093 0.0000000 2.3930632 2 Sr 2.6376421 0.0000000 0.0231213 0.0000000 2.4030047 0.0000000 -0.0376093 0.0000000 2.3930632 3 C 4.1165397 0.0000000 -1.3695553 0.0000000 -0.1485400 0.0000000 -1.1416598 0.0000000 0.3401749 4 N -3.3679450 0.0000000 0.6317211 0.0000000 -1.2631364 0.0000000 0.5964389 0.0000000 -1.3654123 5 N -3.3679450 0.0000000 0.6317211 0.0000000 -1.2631364 0.0000000 0.5964389 0.0000000 -1.3654123 6 Cl -1.3279669 0.0000000 0.0299353 0.0000000 -1.0655983 0.0000000 0.0120003 0.0000000 -1.1977383 7 Cl -1.3279669 0.0000000 0.0299353 0.0000000 -1.0655983 0.0000000 0.0120003 0.0000000 -1.1977383 ---------------------------------------------------------------------------- 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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] Computing fc3[ 25, 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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] Computing fc3[ 37, 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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] Computing fc3[ 61, 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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000008 (xyy) -0.00000008 (xyy) -0.00000008 (xyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000002 (xz) -0.00000002 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 17:44:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 17:44:36]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 3 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.803285320004052 -2.115377930000000 0.000000000000000 b 4.803285320004052 2.115377930000000 0.000000000000000 c -1.027883075411101 0.000000000000000 7.116090115340045 Atomic positions (fractional): 1 Sr 0.68229927407944 0.68229927407944 0.27042372726811 87.620 2 Sr 0.31770072592056 0.31770072592056 0.72957627273189 87.620 3 C 0.00000000000000 0.00000000000000 0.50000000000000 12.011 4 N 0.11618719254428 0.11618719254428 0.44499790117744 14.007 5 N 0.88381280745572 0.88381280745572 0.55500209882256 14.007 6 Cl 0.37047965665972 0.37047965665972 0.14919926866584 35.453 7 Cl 0.62952034334028 0.62952034334028 0.85080073133416 35.453 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.606570640008105 0.000000000000000 0.000000000000000 b 0.000000000000000 12.692267580000001 0.000000000000000 c -2.055766150822202 0.000000000000000 14.232180230680090 Atomic positions (fractional): 1 Sr 0.18229927407944 0.16666666666667 0.13521186363405 87.620 > 1 2 Sr 0.18229927407944 0.50000000000000 0.13521186363405 87.620 > 1 3 Sr 0.18229927407944 0.83333333333333 0.13521186363405 87.620 > 1 4 Sr 0.18229927407944 0.16666666666667 0.63521186363406 87.620 > 1 5 Sr 0.18229927407944 0.50000000000000 0.63521186363406 87.620 > 1 6 Sr 0.18229927407944 0.83333333333333 0.63521186363406 87.620 > 1 7 Sr 0.31770072592056 0.00000000000000 0.36478813636594 87.620 > 7 8 Sr 0.31770072592056 0.33333333333333 0.36478813636594 87.620 > 7 9 Sr 0.31770072592056 0.66666666666667 0.36478813636594 87.620 > 7 10 Sr 0.31770072592056 0.00000000000000 0.86478813636594 87.620 > 7 11 Sr 0.31770072592056 0.33333333333333 0.86478813636594 87.620 > 7 12 Sr 0.31770072592056 0.66666666666667 0.86478813636594 87.620 > 7 13 Sr 0.68229927407944 0.00000000000000 0.13521186363405 87.620 > 1 14 Sr 0.68229927407944 0.33333333333333 0.13521186363405 87.620 > 1 15 Sr 0.68229927407944 0.66666666666667 0.13521186363405 87.620 > 1 16 Sr 0.68229927407944 0.00000000000000 0.63521186363406 87.620 > 1 17 Sr 0.68229927407944 0.33333333333333 0.63521186363406 87.620 > 1 18 Sr 0.68229927407944 0.66666666666667 0.63521186363406 87.620 > 1 19 Sr 0.81770072592056 0.16666666666667 0.36478813636594 87.620 > 7 20 Sr 0.81770072592056 0.50000000000000 0.36478813636594 87.620 > 7 21 Sr 0.81770072592056 0.83333333333333 0.36478813636594 87.620 > 7 22 Sr 0.81770072592056 0.16666666666667 0.86478813636594 87.620 > 7 23 Sr 0.81770072592056 0.50000000000000 0.86478813636594 87.620 > 7 24 Sr 0.81770072592056 0.83333333333333 0.86478813636594 87.620 > 7 25 C 0.00000000000000 0.00000000000000 0.25000000000000 12.011 > 25 26 C 0.00000000000000 0.33333333333333 0.25000000000000 12.011 > 25 27 C 0.00000000000000 0.66666666666667 0.25000000000000 12.011 > 25 28 C 0.00000000000000 0.00000000000000 0.75000000000000 12.011 > 25 29 C 0.00000000000000 0.33333333333333 0.75000000000000 12.011 > 25 30 C 0.00000000000000 0.66666666666667 0.75000000000000 12.011 > 25 31 C 0.50000000000000 0.16666666666667 0.25000000000000 12.011 > 25 32 C 0.50000000000000 0.50000000000000 0.25000000000000 12.011 > 25 33 C 0.50000000000000 0.83333333333333 0.25000000000000 12.011 > 25 34 C 0.50000000000000 0.16666666666667 0.75000000000000 12.011 > 25 35 C 0.50000000000000 0.50000000000000 0.75000000000000 12.011 > 25 36 C 0.50000000000000 0.83333333333333 0.75000000000000 12.011 > 25 37 N 0.11618719254428 0.00000000000000 0.22249895058872 14.007 > 37 38 N 0.11618719254428 0.33333333333333 0.22249895058872 14.007 > 37 39 N 0.11618719254428 0.66666666666667 0.22249895058872 14.007 > 37 40 N 0.11618719254428 0.00000000000000 0.72249895058872 14.007 > 37 41 N 0.11618719254428 0.33333333333333 0.72249895058872 14.007 > 37 42 N 0.11618719254428 0.66666666666667 0.72249895058872 14.007 > 37 43 N 0.38381280745572 0.16666666666667 0.27750104941128 14.007 > 43 44 N 0.38381280745572 0.50000000000000 0.27750104941128 14.007 > 43 45 N 0.38381280745572 0.83333333333333 0.27750104941128 14.007 > 43 46 N 0.38381280745572 0.16666666666667 0.77750104941128 14.007 > 43 47 N 0.38381280745572 0.50000000000000 0.77750104941128 14.007 > 43 48 N 0.38381280745572 0.83333333333333 0.77750104941128 14.007 > 43 49 N 0.61618719254428 0.16666666666667 0.22249895058872 14.007 > 37 50 N 0.61618719254428 0.50000000000000 0.22249895058872 14.007 > 37 51 N 0.61618719254428 0.83333333333333 0.22249895058872 14.007 > 37 52 N 0.61618719254428 0.16666666666667 0.72249895058872 14.007 > 37 53 N 0.61618719254428 0.50000000000000 0.72249895058872 14.007 > 37 54 N 0.61618719254428 0.83333333333333 0.72249895058872 14.007 > 37 55 N 0.88381280745572 0.00000000000000 0.27750104941128 14.007 > 43 56 N 0.88381280745572 0.33333333333333 0.27750104941128 14.007 > 43 57 N 0.88381280745572 0.66666666666667 0.27750104941128 14.007 > 43 58 N 0.88381280745572 0.00000000000000 0.77750104941128 14.007 > 43 59 N 0.88381280745572 0.33333333333333 0.77750104941128 14.007 > 43 60 N 0.88381280745572 0.66666666666667 0.77750104941128 14.007 > 43 61 Cl 0.37047965665972 0.00000000000000 0.07459963433292 35.453 > 61 62 Cl 0.37047965665972 0.33333333333333 0.07459963433292 35.453 > 61 63 Cl 0.37047965665972 0.66666666666667 0.07459963433292 35.453 > 61 64 Cl 0.37047965665972 0.00000000000000 0.57459963433292 35.453 > 61 65 Cl 0.37047965665972 0.33333333333333 0.57459963433292 35.453 > 61 66 Cl 0.37047965665972 0.66666666666667 0.57459963433292 35.453 > 61 67 Cl 0.12952034334028 0.16666666666667 0.42540036566708 35.453 > 67 68 Cl 0.12952034334028 0.50000000000000 0.42540036566708 35.453 > 67 69 Cl 0.12952034334028 0.83333333333333 0.42540036566708 35.453 > 67 70 Cl 0.12952034334028 0.16666666666667 0.92540036566708 35.453 > 67 71 Cl 0.12952034334028 0.50000000000000 0.92540036566708 35.453 > 67 72 Cl 0.12952034334028 0.83333333333333 0.92540036566708 35.453 > 67 73 Cl 0.87047965665972 0.16666666666667 0.07459963433292 35.453 > 61 74 Cl 0.87047965665972 0.50000000000000 0.07459963433292 35.453 > 61 75 Cl 0.87047965665972 0.83333333333333 0.07459963433292 35.453 > 61 76 Cl 0.87047965665972 0.16666666666667 0.57459963433292 35.453 > 61 77 Cl 0.87047965665972 0.50000000000000 0.57459963433292 35.453 > 61 78 Cl 0.87047965665972 0.83333333333333 0.57459963433292 35.453 > 61 79 Cl 0.62952034334028 0.00000000000000 0.42540036566708 35.453 > 67 80 Cl 0.62952034334028 0.33333333333333 0.42540036566708 35.453 > 67 81 Cl 0.62952034334028 0.66666666666667 0.42540036566708 35.453 > 67 82 Cl 0.62952034334028 0.00000000000000 0.92540036566708 35.453 > 67 83 Cl 0.62952034334028 0.33333333333333 0.92540036566708 35.453 > 67 84 Cl 0.62952034334028 0.66666666666667 0.92540036566708 35.453 > 67 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.6740887 0.0000000 -0.1823146 0.0000000 2.9060370 0.0000000 -0.1823153 0.0000000 3.0259230 -------------------------- Born effective charges -------------------------- 1 Sr 2.6376421 0.0000000 0.0231213 0.0000000 2.4030047 0.0000000 -0.0376093 0.0000000 2.3930632 2 Sr 2.6376421 0.0000000 0.0231213 0.0000000 2.4030047 0.0000000 -0.0376093 0.0000000 2.3930632 3 C 4.1165397 0.0000000 -1.3695553 0.0000000 -0.1485400 0.0000000 -1.1416598 0.0000000 0.3401749 4 N -3.3679450 0.0000000 0.6317211 0.0000000 -1.2631364 0.0000000 0.5964389 0.0000000 -1.3654123 5 N -3.3679450 0.0000000 0.6317211 0.0000000 -1.2631364 0.0000000 0.5964389 0.0000000 -1.3654123 6 Cl -1.3279669 0.0000000 0.0299353 0.0000000 -1.0655983 0.0000000 0.0120003 0.0000000 -1.1977383 7 Cl -1.3279669 0.0000000 0.0299353 0.0000000 -1.0655983 0.0000000 0.0120003 0.0000000 -1.1977383 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000008 (xyy) -0.00000008 (xyy) -0.00000008 (xyy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 13 13 7 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.79, Number of G-points: 309, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/322) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 322 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 2.671 ( 0.000 0.000 0.000) 0.000 2.756 ( 0.000 0.000 0.000) 0.000 3.935 ( 0.000 0.000 0.000) 0.000 4.172 ( 0.000 0.000 0.000) 0.000 4.532 ( 0.000 0.000 0.000) 0.000 4.910 ( 0.000 0.000 0.000) 0.000 4.976 ( 0.000 0.000 0.000) 0.000 4.988 ( 0.000 0.000 0.000) 0.000 5.614 ( 0.000 0.000 0.000) 0.000 6.393 ( 0.000 0.000 0.000) 0.000 7.036 ( 0.000 0.000 0.000) 0.000 7.668 ( 0.000 0.000 0.000) 0.000 8.085 ( 0.000 0.000 0.000) 0.000 8.555 ( 0.000 0.000 0.000) 0.000 19.356 ( 0.000 0.000 0.000) 0.000 19.492 ( 0.000 0.000 0.000) 0.000 38.528 ( 0.000 0.000 0.000) 0.000 61.433 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/322) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.446 ( 12.432 -20.154 -1.229) 23.712 0.498 ( 24.543 -15.791 4.024) 29.461 0.865 ( 17.643 -39.038 3.539) 42.985 2.744 ( 2.611 2.293 -0.495) 3.510 2.787 ( 0.516 -11.624 0.163) 11.636 4.148 ( -1.552 1.810 0.594) 2.458 4.364 ( -26.018 -12.730 -14.842) 32.546 4.593 ( -2.487 -1.612 18.750) 18.983 4.874 ( -3.857 2.403 3.382) 5.664 4.919 ( -3.490 3.422 -4.326) 6.527 5.206 ( 23.373 4.746 -8.147) 25.203 5.601 ( -1.167 0.960 1.601) 2.201 6.507 ( 23.964 10.253 0.721) 26.075 7.564 ( -7.075 6.610 -7.851) 12.465 8.089 ( 6.457 3.451 5.608) 9.222 8.613 ( -1.394 -6.396 2.219) 6.912 8.908 ( -17.307 -4.722 2.857) 18.166 19.354 ( 0.397 0.905 1.689) 1.957 19.646 ( -7.362 -3.114 1.525) 8.138 38.522 ( -0.888 0.261 0.049) 0.927 61.795 ( 80.043 34.731 -26.943) 91.319 ======================= Grid point 2 (3/322) ======================= q-point: ( 0.15 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( 11.846 -22.554 0.862) 25.490 0.969 ( 21.900 -14.797 5.325) 26.962 1.700 ( 16.870 -36.827 3.070) 40.624 2.710 ( 4.716 4.381 -0.993) 6.513 3.070 ( 1.010 -17.639 -0.701) 17.681 4.091 ( -3.040 2.282 -0.100) 3.802 4.363 ( -8.785 -3.642 -6.528) 11.535 4.624 ( -0.292 -1.650 -6.593) 6.803 4.757 ( -5.726 6.475 9.430) 12.792 4.829 ( -6.857 1.026 -2.465) 7.358 5.312 ( 11.285 -1.356 -2.162) 11.570 5.566 ( -2.110 1.649 2.375) 3.579 6.519 ( 13.868 4.975 -0.199) 14.735 7.332 ( -9.613 10.021 -6.567) 15.361 8.064 ( 7.771 6.138 5.463) 11.309 8.723 ( -7.913 -5.622 11.361) 14.943 8.864 ( -5.584 -3.486 -7.653) 10.094 19.338 ( -0.094 1.078 0.749) 1.316 19.645 ( -3.827 -1.603 0.596) 4.192 38.507 ( -1.417 0.268 0.015) 1.442 61.766 ( 41.287 19.382 -11.081) 46.937 ======================= Grid point 3 (4/322) ======================= q-point: ( 0.23 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( 17.577 -13.559 7.178) 23.331 1.447 ( 11.495 -22.908 2.916) 25.796 2.465 ( 15.105 -32.379 2.497) 35.817 2.662 ( 5.584 4.979 -2.201) 7.798 3.402 ( 2.280 -16.426 -3.139) 16.878 4.023 ( -4.694 1.544 -0.001) 4.941 4.337 ( -2.400 0.812 -4.094) 4.815 4.531 ( -5.632 7.472 -13.688) 16.581 4.691 ( -2.515 -1.416 10.326) 10.721 4.764 ( -6.870 -0.439 -2.602) 7.359 5.408 ( 4.831 -1.095 1.470) 5.167 5.521 ( -1.447 1.313 1.443) 2.429 6.550 ( 11.039 2.541 -0.332) 11.333 7.050 ( -10.299 11.040 -3.933) 15.603 8.011 ( 8.136 6.984 3.922) 11.417 8.655 ( -13.668 1.856 8.942) 16.438 8.976 ( 0.948 -8.525 -5.734) 10.318 19.317 ( -0.266 1.155 0.381) 1.245 19.644 ( -2.564 -1.080 0.323) 2.801 38.493 ( -1.435 -0.017 -0.107) 1.439 61.730 ( 27.728 13.791 -5.534) 31.459 ======================= Grid point 4 (5/322) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( 13.433 -11.462 8.339) 19.528 1.939 ( 9.418 -20.716 5.047) 23.309 2.622 ( 6.413 3.727 -4.037) 8.445 3.097 ( 10.588 -24.238 2.765) 26.594 3.639 ( 2.632 -6.333 -11.991) 13.814 3.982 ( -5.158 -1.457 7.468) 9.192 4.287 ( -1.077 2.355 -5.015) 5.644 4.355 ( -4.005 3.945 -7.812) 9.625 4.688 ( -2.007 0.859 5.939) 6.327 4.754 ( -5.267 -4.291 -6.225) 9.214 5.400 ( -1.587 2.652 3.756) 4.864 5.515 ( 0.180 0.150 0.737) 0.774 6.600 ( 9.245 1.001 -0.193) 9.301 6.775 ( -9.430 9.502 -1.437) 13.464 7.958 ( 8.444 6.421 2.397) 10.875 8.507 ( -12.798 3.271 5.947) 14.486 9.124 ( 0.539 -7.256 -3.393) 8.028 19.295 ( -0.287 1.023 0.176) 1.077 19.644 ( -1.748 -0.759 0.227) 1.919 38.486 ( -1.067 -0.366 -0.230) 1.151 61.699 ( 19.223 9.730 -2.924) 21.743 ======================= Grid point 5 (6/322) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.038 ( 8.847 -8.813 8.551) 15.135 2.297 ( 4.354 -8.936 3.026) 10.391 2.673 ( 8.230 -6.025 -1.811) 10.359 3.466 ( 2.583 -9.070 2.264) 9.699 3.624 ( -1.073 5.837 -15.871) 16.944 3.997 ( -1.895 -3.115 8.928) 9.644 4.260 ( -0.962 0.745 -5.942) 6.065 4.343 ( 0.556 -4.977 -2.542) 5.616 4.683 ( 2.133 -0.411 4.060) 4.604 4.788 ( -4.440 -4.248 -6.845) 9.199 5.337 ( -0.744 3.062 2.633) 4.106 5.479 ( -4.335 2.396 2.347) 5.481 6.562 ( -5.135 6.313 -0.059) 8.138 6.660 ( 5.240 -0.194 -0.137) 5.246 7.924 ( 7.796 4.593 1.127) 9.118 8.360 ( -10.467 2.857 3.823) 11.503 9.232 ( 0.111 -4.660 -2.042) 5.089 19.277 ( -0.211 0.701 0.065) 0.735 19.644 ( -1.035 -0.470 0.158) 1.148 38.487 ( -0.584 -0.472 -0.241) 0.788 61.678 ( 11.659 5.849 -1.480) 13.128 ======================= Grid point 6 (7/322) ======================= q-point: ( 0.46 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.232 ( 4.107 -5.658 7.031) 9.915 2.344 ( -0.055 2.329 -3.923) 4.563 2.931 ( 5.961 -10.551 3.620) 12.647 3.433 ( -3.351 8.593 -8.078) 12.261 3.537 ( -0.573 -0.718 0.206) 0.941 4.077 ( 0.964 -2.905 3.765) 4.852 4.228 ( -1.078 0.699 -3.277) 3.520 4.429 ( -0.074 -2.690 -0.361) 2.715 4.746 ( 4.441 -1.599 3.104) 5.649 4.814 ( -2.718 -2.208 -5.179) 6.252 5.306 ( 2.795 0.920 0.273) 2.956 5.382 ( -6.350 2.625 2.341) 7.259 6.457 ( -1.854 2.019 0.077) 2.742 6.695 ( 2.078 -0.140 -0.025) 2.083 7.916 ( 3.726 1.682 0.258) 4.096 8.261 ( -4.604 1.131 1.408) 4.945 9.288 ( -0.015 -1.592 -0.703) 1.740 19.267 ( -0.077 0.249 0.014) 0.261 19.645 ( -0.344 -0.161 0.059) 0.384 38.491 ( -0.175 -0.214 -0.103) 0.295 61.669 ( 3.940 1.952 -0.461) 4.421 ======================= Grid point 14 (8/322) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.340 ( 20.541 0.000 2.948) 20.751 0.457 ( 26.976 0.000 9.428) 28.576 0.876 ( 53.749 0.000 2.774) 53.820 2.674 ( 0.363 0.000 -0.366) 0.516 2.806 ( 6.059 0.000 0.135) 6.060 3.915 ( -2.454 -0.000 0.285) 2.470 4.172 ( -0.093 -0.000 -0.288) 0.303 4.563 ( -2.503 -0.000 10.222) 10.524 4.870 ( -5.344 -0.000 1.738) 5.620 4.934 ( -4.574 -0.000 -2.308) 5.123 5.392 ( 3.252 0.000 -10.431) 10.926 5.599 ( -2.376 -0.000 3.743) 4.433 7.054 ( 2.242 0.000 -0.019) 2.242 7.542 ( -10.036 -0.000 -11.891) 15.560 8.142 ( 6.194 0.000 -10.682) 12.348 8.536 ( -2.275 -0.000 0.009) 2.275 8.579 ( -4.100 -0.000 28.006) 28.304 19.392 ( -1.874 -0.000 8.340) 8.548 19.491 ( -0.032 -0.000 -0.039) 0.050 38.527 ( -0.004 -0.000 -1.250) 1.250 63.318 ( 13.539 0.000 -79.341) 80.487 ======================= Grid point 15 (9/322) ======================= q-point: ( 0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( 18.887 -15.979 1.428) 24.781 0.866 ( 19.714 -17.417 6.200) 27.026 1.432 ( 44.994 -15.343 4.221) 47.725 2.787 ( 1.389 -9.869 -1.544) 10.085 2.841 ( 7.677 0.961 0.648) 7.764 4.033 ( -9.606 -9.157 -2.011) 13.423 4.166 ( -1.976 -1.664 -1.848) 3.176 4.576 ( -2.108 -2.197 -0.175) 3.050 4.791 ( -8.497 2.875 6.435) 11.039 4.845 ( -4.923 4.182 -4.577) 7.917 5.392 ( 6.506 1.076 -4.856) 8.189 5.572 ( -3.322 0.933 4.346) 5.549 6.844 ( 14.634 16.044 -0.278) 21.717 7.388 ( -10.948 5.767 -8.771) 15.167 8.195 ( 2.715 1.160 -0.779) 3.054 8.587 ( -2.511 -5.483 9.105) 10.921 8.667 ( -10.317 -7.989 3.267) 13.451 19.361 ( -0.335 1.478 2.371) 2.814 19.554 ( -3.684 -4.390 0.955) 5.810 38.511 ( -0.264 1.065 -0.986) 1.475 62.750 ( 40.361 45.331 -30.647) 67.994 ======================= Grid point 16 (10/322) ======================= q-point: ( 0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( 17.930 -18.853 2.602) 26.147 1.321 ( 18.590 -14.529 5.555) 24.239 2.111 ( 31.892 -23.549 4.681) 39.919 2.821 ( 9.528 5.400 -1.844) 11.106 3.092 ( 1.875 -18.010 -1.156) 18.144 4.022 ( -4.965 1.506 -2.040) 5.575 4.218 ( -7.523 -6.842 -3.761) 10.842 4.560 ( -4.737 2.392 -17.990) 18.757 4.677 ( -7.824 1.421 19.381) 20.949 4.728 ( -5.087 3.034 -4.875) 7.671 5.440 ( 4.903 -0.342 0.312) 4.925 5.530 ( -2.460 0.880 2.025) 3.306 6.741 ( 12.375 8.213 -0.657) 14.868 7.153 ( -9.825 9.474 -6.167) 14.978 8.155 ( -0.177 3.575 1.230) 3.785 8.593 ( -8.190 1.062 14.474) 16.664 8.791 ( -2.084 -10.757 -6.608) 12.795 19.336 ( -0.458 1.212 0.934) 1.597 19.588 ( -3.082 -2.548 0.484) 4.028 38.489 ( -0.590 0.746 -0.665) 1.160 62.370 ( 33.833 28.926 -12.565) 46.252 ======================= Grid point 17 (11/322) ======================= q-point: ( 0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( 15.824 -19.347 4.082) 25.325 1.703 ( 17.328 -10.965 7.293) 21.764 2.759 ( 17.793 -16.088 5.635) 24.641 2.794 ( 13.517 -0.930 -4.296) 14.213 3.440 ( 3.650 -16.776 -5.131) 17.919 3.944 ( -4.644 1.775 -1.187) 5.111 4.252 ( -7.063 -3.457 -2.876) 8.373 4.388 ( -8.153 6.090 -11.536) 15.383 4.649 ( -7.551 -0.503 1.329) 7.683 4.667 ( -2.270 -1.312 3.364) 4.265 5.432 ( -2.458 2.024 4.999) 5.927 5.534 ( 2.630 -0.008 -1.656) 3.108 6.717 ( 8.801 4.146 -0.590) 9.746 6.889 ( -7.903 10.605 -2.797) 13.518 8.079 ( -3.345 3.255 0.834) 4.741 8.500 ( -5.329 4.069 9.815) 11.886 8.965 ( -0.723 -9.806 -4.110) 10.657 19.312 ( -0.491 1.128 0.407) 1.296 19.605 ( -2.229 -1.740 0.292) 2.843 38.476 ( -0.464 0.134 -0.550) 0.732 62.153 ( 24.997 20.588 -5.846) 32.907 ======================= Grid point 18 (12/322) ======================= q-point: ( 0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.008 ( 15.205 -7.288 8.023) 18.673 2.124 ( 11.717 -16.359 6.283) 21.080 2.754 ( 11.490 5.196 -3.384) 13.057 3.269 ( 8.771 -16.342 3.057) 18.797 3.662 ( 4.766 -2.673 -16.670) 17.542 3.915 ( -5.573 -3.137 6.543) 9.149 4.211 ( -6.249 -0.586 -3.844) 7.360 4.283 ( -3.063 -1.301 -5.335) 6.288 4.630 ( -6.424 -3.969 1.886) 7.783 4.688 ( -1.540 -2.518 -1.096) 3.149 5.376 ( -2.162 2.114 3.567) 4.676 5.516 ( -0.569 3.265 -0.264) 3.324 6.644 ( -6.238 7.660 -0.212) 9.881 6.730 ( 6.400 2.988 -0.365) 7.072 7.988 ( -7.772 1.936 0.453) 8.022 8.401 ( 0.632 5.424 6.525) 8.508 9.117 ( -0.443 -7.713 -2.806) 8.220 19.290 ( -0.413 0.922 0.157) 1.022 19.618 ( -1.461 -1.302 0.219) 1.969 38.476 ( -0.072 -0.363 -0.491) 0.615 61.990 ( 17.102 15.582 -2.892) 23.316 ======================= Grid point 19 (13/322) ======================= q-point: ( 0.46 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.224 ( 11.350 -3.543 7.686) 14.158 2.394 ( 6.897 -2.472 3.895) 8.298 2.831 ( 11.484 -5.182 -0.336) 12.604 3.484 ( 0.306 -4.518 -1.246) 4.697 3.578 ( -1.479 9.019 -11.730) 14.870 3.982 ( -1.952 -6.403 0.795) 6.741 4.192 ( -5.278 -1.749 -4.077) 6.895 4.342 ( -0.728 -5.124 1.474) 5.382 4.714 ( -1.408 -7.731 1.083) 7.933 4.728 ( 0.356 -2.518 -0.013) 2.543 5.343 ( 0.538 0.705 1.136) 1.441 5.409 ( -4.188 5.704 0.438) 7.090 6.497 ( -2.539 4.201 0.713) 4.960 6.728 ( 2.543 1.794 -0.194) 3.118 7.887 ( -12.321 0.189 0.284) 12.326 8.341 ( 7.029 4.838 3.443) 9.201 9.228 ( -0.166 -4.948 -1.615) 5.207 19.273 ( -0.271 0.562 0.042) 0.626 19.630 ( -0.752 -0.959 0.148) 1.228 38.485 ( 0.307 -0.467 -0.363) 0.667 61.848 ( 9.483 11.590 -1.358) 15.037 ======================= Grid point 20 (14/322) ======================= q-point: ( 0.54 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.318 ( 3.929 2.705 1.002) 4.875 2.392 ( 7.093 4.819 3.252) 9.171 3.015 ( 3.347 -1.215 0.846) 3.660 3.388 ( -0.327 3.477 -4.568) 5.750 3.538 ( 1.194 -1.277 0.194) 1.759 4.045 ( -4.438 -3.060 -6.480) 8.429 4.198 ( -2.331 -2.444 1.809) 3.831 4.411 ( -2.252 -3.375 1.809) 4.442 4.728 ( -4.553 0.924 -1.098) 4.773 4.854 ( 4.930 -3.168 6.515) 8.763 5.284 ( -5.050 2.178 -0.412) 5.515 5.384 ( 6.076 -2.160 -2.766) 7.017 6.453 ( 0.864 0.168 0.701) 1.125 6.699 ( -1.167 1.874 -0.141) 2.212 7.794 ( -14.474 -2.046 -0.218) 14.620 8.349 ( 10.804 2.490 0.798) 11.116 9.288 ( 0.090 -1.778 -0.334) 1.812 19.266 ( -0.109 0.100 -0.002) 0.148 19.641 ( -0.099 -0.631 0.046) 0.640 38.494 ( 0.571 -0.190 -0.158) 0.622 61.716 ( 2.042 7.794 -0.349) 8.064 ======================= Grid point 21 (15/322) ======================= q-point: (-0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( -1.153 11.092 -5.791) 12.566 2.391 ( 4.461 3.573 3.722) 6.821 2.824 ( -6.134 14.582 -3.309) 16.162 3.491 ( 0.470 -6.205 2.891) 6.861 3.577 ( 5.116 -1.322 6.296) 8.220 4.025 ( -2.429 0.530 -11.333) 11.603 4.229 ( -2.624 -2.338 4.981) 6.096 4.416 ( -1.859 2.346 3.273) 4.435 4.636 ( -7.637 0.718 -0.477) 7.686 4.905 ( 5.881 2.860 6.695) 9.359 5.275 ( -0.830 -3.392 -2.346) 4.207 5.482 ( 6.553 -2.277 -3.733) 7.878 6.500 ( 1.880 -3.556 0.631) 4.072 6.649 ( -1.872 1.608 -0.112) 2.470 7.740 ( -13.962 -4.823 -1.180) 14.819 8.422 ( 11.786 -0.451 -1.216) 11.857 9.291 ( 0.019 1.579 0.898) 1.816 19.268 ( 0.034 -0.385 -0.024) 0.388 19.652 ( 0.483 -0.321 -0.058) 0.583 38.500 ( 0.793 0.177 0.030) 0.813 61.598 ( -4.757 3.959 0.457) 6.206 ======================= Grid point 22 (16/322) ======================= q-point: (-0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( -4.862 14.494 -6.640) 16.667 2.239 ( -1.924 17.121 -3.670) 17.616 2.577 ( -4.717 3.922 3.552) 7.088 3.399 ( -4.318 13.978 -1.869) 14.749 3.686 ( 1.837 -1.207 14.261) 14.430 4.010 ( 3.584 -1.311 -14.371) 14.869 4.244 ( -4.649 -1.563 6.912) 8.475 4.346 ( 0.114 1.078 4.849) 4.969 4.634 ( -2.773 -3.977 -2.359) 5.392 4.884 ( 4.943 4.479 5.666) 8.752 5.349 ( 1.305 -3.952 -2.566) 4.890 5.534 ( 3.307 0.693 -2.752) 4.357 6.522 ( -7.620 -0.339 0.204) 7.631 6.707 ( 8.630 -6.020 0.758) 10.549 7.744 ( -11.878 -7.124 -2.236) 14.030 8.544 ( 11.270 -2.867 -2.744) 11.948 9.232 ( -0.540 4.821 1.947) 5.227 19.280 ( 0.125 -0.804 -0.061) 0.816 19.661 ( 0.966 -0.065 -0.127) 0.976 38.502 ( 1.037 0.322 0.096) 1.090 61.500 ( -10.255 0.258 1.185) 10.327 ======================= Grid point 23 (17/322) ======================= q-point: (-0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( -7.788 17.221 -5.932) 19.809 1.809 ( -5.345 24.064 -2.832) 24.812 2.555 ( -3.277 -2.308 3.118) 5.079 2.952 ( -6.203 28.346 -1.569) 29.059 3.627 ( -1.411 9.005 5.732) 10.767 4.052 ( 5.183 0.261 -5.044) 7.237 4.272 ( -3.365 -4.890 3.968) 7.140 4.434 ( 3.115 -7.342 6.202) 10.103 4.689 ( -0.047 -2.780 -4.246) 5.075 4.851 ( 4.508 3.307 4.656) 7.276 5.399 ( -0.790 -0.160 -2.148) 2.294 5.522 ( 1.298 1.005 -1.457) 2.195 6.457 ( -7.613 0.079 0.056) 7.614 6.936 ( 9.030 -10.181 1.981) 13.752 7.797 ( -9.083 -8.041 -3.038) 12.506 8.691 ( 10.086 -3.997 -4.064) 11.585 9.114 ( -1.490 7.432 2.987) 8.147 19.298 ( 0.141 -1.072 -0.120) 1.087 19.669 ( 1.289 0.103 -0.154) 1.302 38.506 ( 1.181 0.163 0.029) 1.193 61.428 ( -13.768 -2.698 1.911) 14.160 ======================= Grid point 24 (18/322) ======================= q-point: (-0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( -8.426 19.643 -3.604) 21.676 1.314 ( -4.229 25.332 -0.898) 25.698 2.292 ( -5.589 35.457 -0.611) 35.900 2.612 ( -1.491 -3.019 0.693) 3.438 3.382 ( -0.779 16.271 1.023) 16.322 4.082 ( 2.220 -0.794 -0.242) 2.370 4.357 ( -0.138 -5.424 1.952) 5.766 4.623 ( 2.013 -8.591 10.994) 14.097 4.693 ( 0.862 1.534 -10.086) 10.238 4.873 ( 4.756 -1.086 2.179) 5.343 5.315 ( -4.643 5.744 -0.537) 7.405 5.544 ( 1.165 -1.718 -1.066) 2.333 6.407 ( -5.415 -0.340 0.020) 5.426 7.201 ( 5.964 -11.531 2.600) 13.240 7.877 ( -5.496 -7.493 -2.912) 9.738 8.829 ( 8.953 -2.827 -7.039) 11.735 8.955 ( -3.365 7.915 6.058) 10.519 19.319 ( 0.077 -1.119 -0.161) 1.133 19.677 ( 1.277 0.138 -0.155) 1.294 38.515 ( 0.925 -0.112 -0.056) 0.933 61.380 ( -13.635 -3.847 2.388) 14.367 ======================= Grid point 25 (19/322) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( 0.000 21.216 0.000) 21.216 0.838 ( 0.000 24.507 0.000) 24.507 1.563 ( 0.000 40.955 0.000) 40.955 2.673 ( -0.000 -3.868 -0.000) 3.868 3.063 ( 0.000 17.498 0.000) 17.498 4.116 ( -0.000 -1.959 -0.000) 1.959 4.466 ( -0.000 -5.749 -0.000) 5.749 4.627 ( 0.000 3.964 0.000) 3.964 4.794 ( -0.000 -7.276 -0.000) 7.276 4.939 ( -0.000 -2.468 -0.000) 2.468 5.154 ( 0.000 7.926 0.000) 7.926 5.580 ( -0.000 -1.643 -0.000) 1.643 6.387 ( -0.000 -0.222 -0.000) 0.222 7.435 ( -0.000 -10.683 -0.000) 10.683 7.973 ( -0.000 -5.729 -0.000) 5.729 8.765 ( 0.000 9.310 0.000) 9.310 8.942 ( -0.000 -3.444 -0.000) 3.444 19.338 ( -0.000 -0.916 -0.000) 0.916 19.682 ( 0.000 0.044 0.000) 0.044 38.522 ( -0.000 -0.251 -0.000) 0.251 61.371 ( -0.000 -2.742 -0.000) 2.742 ======================= Grid point 28 (20/322) ======================= q-point: ( 0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( 19.259 0.000 2.703) 19.448 0.904 ( 26.085 0.000 8.282) 27.368 1.723 ( 50.931 0.000 2.217) 50.979 2.680 ( 0.545 0.000 -0.582) 0.797 2.947 ( 11.289 0.000 0.268) 11.292 3.863 ( -3.930 -0.000 0.216) 3.936 4.166 ( -0.656 -0.000 -0.282) 0.714 4.532 ( -2.742 -0.000 -2.504) 3.713 4.746 ( -11.106 -0.000 7.070) 13.165 4.832 ( -6.742 -0.000 -5.533) 8.722 5.427 ( 3.189 0.000 -4.661) 5.648 5.556 ( -4.489 -0.000 6.648) 8.022 7.106 ( 4.184 0.000 -0.035) 4.184 7.329 ( -13.001 -0.000 -5.480) 14.109 8.163 ( -1.149 -0.000 -13.790) 13.838 8.483 ( -4.254 -0.000 0.016) 4.254 8.607 ( 1.050 0.000 20.818) 20.844 19.377 ( -1.662 -0.000 3.451) 3.831 19.491 ( -0.056 -0.000 -0.069) 0.088 38.523 ( 0.048 0.000 -2.074) 2.075 63.363 ( 8.218 0.000 -33.642) 34.631 ======================= Grid point 29 (21/322) ======================= q-point: ( 0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( 17.729 -17.243 1.266) 24.764 1.211 ( 21.477 -10.281 7.530) 24.973 2.178 ( 45.283 -6.498 2.824) 45.834 2.802 ( 1.051 -12.140 -1.216) 12.246 3.010 ( 12.976 3.649 0.250) 13.481 3.906 ( -6.274 -6.726 -1.779) 9.369 4.134 ( -2.269 1.866 -0.124) 2.940 4.514 ( -4.385 -0.817 -12.745) 13.503 4.643 ( -11.954 1.438 14.435) 18.798 4.741 ( -6.440 2.710 -5.863) 9.121 5.459 ( 3.071 -0.952 -0.989) 3.364 5.518 ( -4.472 0.496 4.993) 6.721 7.005 ( 6.012 10.700 0.100) 12.273 7.203 ( -8.547 4.226 -6.425) 11.497 8.127 ( -9.186 -0.383 -5.134) 10.530 8.553 ( -4.745 -9.619 -3.708) 11.349 8.629 ( 3.022 1.419 15.986) 16.331 19.354 ( -1.065 1.110 1.669) 2.270 19.518 ( -1.350 -2.578 0.246) 2.921 38.508 ( 0.161 1.258 -1.775) 2.182 63.118 ( 17.147 26.197 -19.030) 36.639 ======================= Grid point 30 (22/322) ======================= q-point: ( 0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( 18.886 -17.880 1.934) 26.079 1.599 ( 15.436 -14.377 6.776) 22.156 2.667 ( 33.706 -11.233 3.493) 35.700 3.003 ( 13.556 4.674 -2.318) 14.525 3.127 ( 3.166 -17.018 -0.389) 17.315 3.938 ( -4.132 -0.713 -4.672) 6.278 4.095 ( -7.594 -3.071 0.173) 8.194 4.402 ( -9.816 4.465 -11.181) 15.534 4.581 ( -8.265 -0.728 7.024) 10.871 4.648 ( -4.016 1.236 -1.715) 4.539 5.445 ( -4.371 1.608 6.751) 8.201 5.535 ( 2.474 -1.902 -2.547) 4.028 6.878 ( 2.795 7.391 -0.380) 7.910 7.023 ( -2.433 9.295 -4.760) 10.723 8.029 ( -13.629 0.280 -0.291) 13.635 8.583 ( 1.442 3.188 8.623) 9.306 8.754 ( -1.065 -10.818 -1.669) 10.997 19.328 ( -0.813 1.097 0.732) 1.549 19.551 ( -1.725 -2.304 0.232) 2.887 38.485 ( 0.310 1.022 -1.224) 1.625 62.772 ( 20.282 25.807 -9.291) 34.113 ======================= Grid point 31 (23/322) ======================= q-point: ( 0.38 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.946 ( 16.529 -15.534 5.970) 23.456 1.972 ( 14.254 -12.529 4.924) 19.606 2.988 ( 15.026 7.395 -3.024) 17.018 3.102 ( 18.317 -11.416 4.485) 22.045 3.494 ( 4.572 -17.756 -5.670) 19.192 3.877 ( -2.811 2.632 -4.491) 5.916 4.110 ( -9.878 -4.765 0.419) 10.975 4.236 ( -7.036 2.864 -6.804) 10.198 4.520 ( -8.684 -0.712 0.745) 8.745 4.638 ( -1.784 -1.915 0.389) 2.646 5.388 ( -3.897 1.384 4.688) 6.251 5.559 ( 0.546 1.022 -1.515) 1.907 6.738 ( -5.182 7.553 -0.640) 9.182 6.871 ( 5.443 7.300 -1.482) 9.225 7.906 ( -15.559 0.391 0.941) 15.592 8.540 ( 5.337 5.099 6.500) 9.835 8.938 ( -1.629 -10.530 -2.530) 10.951 19.303 ( -0.644 1.003 0.302) 1.230 19.577 ( -1.422 -1.927 0.200) 2.403 38.476 ( 0.552 0.280 -0.858) 1.058 62.480 ( 17.235 22.289 -4.531) 28.537 ======================= Grid point 32 (24/322) ======================= q-point: ( 0.46 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( 13.489 -6.354 6.310) 16.191 2.330 ( 11.699 -11.732 6.829) 17.921 2.973 ( 15.999 6.864 -1.839) 17.506 3.371 ( 3.863 -8.231 0.462) 9.105 3.700 ( 2.843 4.307 -16.880) 17.652 3.833 ( -5.178 -6.723 1.837) 8.682 4.090 ( -7.320 -2.678 -0.180) 7.796 4.249 ( -0.241 -5.338 -1.135) 5.463 4.518 ( -7.798 -7.803 2.508) 11.313 4.680 ( 0.592 -3.182 -0.312) 3.251 5.348 ( -2.523 0.691 2.471) 3.598 5.494 ( -1.729 5.094 -1.041) 5.480 6.568 ( -3.566 6.102 0.803) 7.113 6.807 ( 3.523 4.496 -0.647) 5.749 7.772 ( -16.300 0.303 0.987) 16.333 8.505 ( 8.160 5.203 3.941) 10.449 9.098 ( -1.143 -8.521 -1.951) 8.815 19.283 ( -0.456 0.778 0.099) 0.908 19.600 ( -0.919 -1.623 0.172) 1.873 38.481 ( 0.781 -0.283 -0.606) 1.029 62.218 ( 11.956 19.094 -2.224) 22.638 ======================= Grid point 33 (25/322) ======================= q-point: ( 0.54 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.411 ( 9.691 0.856 2.963) 10.170 2.537 ( 8.871 -0.257 8.237) 12.109 3.024 ( 11.988 -0.504 0.069) 11.999 3.505 ( -2.571 2.895 -1.984) 4.351 3.507 ( 2.228 2.947 -9.617) 10.303 3.907 ( -6.780 -5.299 -6.054) 10.521 4.111 ( -3.903 -3.858 -0.025) 5.488 4.320 ( -2.549 -3.841 2.540) 5.263 4.663 ( -3.956 -7.324 1.281) 8.422 4.775 ( 3.373 -7.154 3.826) 8.786 5.297 ( -5.511 3.206 0.959) 6.447 5.413 ( 4.042 1.407 -2.646) 5.031 6.476 ( -1.000 2.245 1.329) 2.794 6.749 ( 0.942 3.841 -0.511) 3.987 7.643 ( -16.090 -0.612 0.471) 16.109 8.495 ( 9.442 4.000 1.795) 10.410 9.220 ( -0.416 -5.601 -1.007) 5.706 19.269 ( -0.264 0.418 0.016) 0.494 19.621 ( -0.394 -1.322 0.110) 1.384 38.494 ( 0.865 -0.398 -0.368) 1.021 61.969 ( 6.012 15.961 -0.980) 17.084 ======================= Grid point 34 (26/322) ======================= q-point: (-0.38 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.372 ( 3.227 9.077 -1.328) 9.725 2.549 ( 9.474 6.189 6.144) 12.877 3.034 ( -0.437 10.666 -2.375) 10.936 3.382 ( -0.165 -3.846 -1.923) 4.303 3.604 ( 7.070 -1.795 2.597) 7.743 3.939 ( -4.983 -4.879 -10.875) 12.919 4.141 ( -6.001 -3.657 2.734) 7.541 4.377 ( -2.296 -4.203 3.032) 5.668 4.633 ( -6.771 4.122 1.890) 8.149 4.962 ( 6.252 -4.826 6.061) 9.956 5.209 ( -3.910 -0.124 -1.964) 4.377 5.482 ( 6.397 -2.914 -3.651) 7.921 6.464 ( -0.646 -1.044 1.223) 1.733 6.688 ( 1.149 3.099 -0.450) 3.336 7.549 ( -14.602 -2.913 -0.366) 14.894 8.517 ( 9.031 1.697 0.183) 9.191 9.288 ( -0.002 -2.066 -0.035) 2.066 19.264 ( -0.099 -0.028 -0.010) 0.103 19.641 ( 0.057 -1.005 0.027) 1.007 38.506 ( 0.821 -0.176 -0.145) 0.852 61.735 ( 0.518 12.466 -0.200) 12.479 ======================= Grid point 35 (27/322) ======================= q-point: (-0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.159 ( 0.025 14.670 -3.037) 14.982 2.493 ( 6.913 8.608 1.971) 11.215 2.721 ( -6.053 16.208 -1.658) 17.381 3.482 ( -1.020 -2.265 -0.131) 2.487 3.697 ( 5.908 -1.646 9.996) 11.728 3.972 ( 0.690 -2.758 -16.013) 16.263 4.161 ( -7.080 -3.594 6.127) 10.029 4.401 ( -0.858 3.382 4.813) 5.945 4.523 ( -5.665 -2.549 -1.116) 6.311 5.005 ( 4.179 3.952 4.460) 7.278 5.265 ( 0.163 -5.990 -1.964) 6.306 5.564 ( 4.240 -0.962 -2.808) 5.176 6.467 ( -4.527 -0.398 0.654) 4.592 6.696 ( 6.049 -1.797 0.111) 6.311 7.524 ( -11.336 -6.004 -1.164) 12.881 8.578 ( 7.300 -1.190 -0.838) 7.443 9.292 ( -0.124 1.715 0.680) 1.849 19.268 ( 0.008 -0.481 -0.019) 0.482 19.659 ( 0.357 -0.700 -0.036) 0.787 38.513 ( 0.725 0.072 -0.007) 0.729 61.531 ( -3.330 8.527 0.289) 9.159 ======================= Grid point 36 (28/322) ======================= q-point: (-0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( -1.468 17.987 -2.517) 18.221 2.216 ( -0.345 23.194 -2.014) 23.284 2.534 ( -1.600 1.835 2.113) 3.224 3.342 ( -1.901 16.618 -0.616) 16.737 3.731 ( 0.518 2.729 5.843) 6.469 4.060 ( 6.387 -4.969 -12.093) 14.551 4.160 ( -7.227 -2.104 8.262) 11.177 4.362 ( 0.381 -1.768 2.434) 3.033 4.594 ( -1.352 -5.967 -1.006) 6.200 4.952 ( 2.037 4.364 2.221) 5.304 5.361 ( 0.592 -3.766 -0.950) 3.929 5.570 ( 1.488 2.268 -1.305) 3.010 6.421 ( -3.863 0.902 0.126) 3.969 6.834 ( 5.332 -7.358 0.645) 9.110 7.582 ( -6.201 -8.078 -1.285) 10.264 8.671 ( 4.509 -3.783 -1.130) 5.994 9.226 ( -0.442 5.263 0.884) 5.355 19.281 ( 0.041 -0.858 -0.025) 0.860 19.672 ( 0.403 -0.442 -0.049) 0.600 38.516 ( 0.523 0.122 0.017) 0.538 61.381 ( -4.180 4.487 0.458) 6.149 ======================= Grid point 37 (29/322) ======================= q-point: (-0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( 0.000 20.068 0.000) 20.068 1.762 ( 0.000 25.401 0.000) 25.401 2.531 ( -0.000 -1.271 -0.000) 1.271 2.901 ( 0.000 29.108 0.000) 29.108 3.622 ( 0.000 9.811 0.000) 9.811 4.099 ( 0.000 1.421 0.000) 1.421 4.236 ( -0.000 -7.366 -0.000) 7.366 4.468 ( -0.000 -8.439 -0.000) 8.439 4.681 ( -0.000 -3.409 -0.000) 3.409 4.897 ( 0.000 2.374 0.000) 2.374 5.386 ( 0.000 2.030 0.000) 2.030 5.534 ( 0.000 0.882 0.000) 0.882 6.391 ( 0.000 0.580 0.000) 0.580 7.023 ( -0.000 -10.506 -0.000) 10.506 7.708 ( -0.000 -8.318 -0.000) 8.318 8.774 ( -0.000 -5.111 -0.000) 5.111 9.102 ( 0.000 8.042 0.000) 8.042 19.299 ( -0.000 -1.084 -0.000) 1.084 19.680 ( -0.000 -0.224 -0.000) 0.224 38.517 ( -0.000 -0.000 -0.000) 0.000 61.312 ( 0.000 0.790 0.000) 0.790 ======================= Grid point 42 (30/322) ======================= q-point: ( 0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( 17.069 0.000 2.291) 17.222 1.327 ( 24.386 0.000 6.826) 25.323 2.496 ( 44.127 0.000 0.504) 44.130 2.687 ( 0.407 0.000 -0.554) 0.687 3.166 ( 16.006 0.000 0.903) 16.031 3.796 ( -4.287 -0.000 -0.154) 4.289 4.149 ( -1.369 -0.000 -0.055) 1.370 4.447 ( -6.813 -0.000 -12.021) 13.818 4.572 ( -12.178 -0.000 14.230) 18.730 4.698 ( -7.890 -0.000 -7.397) 10.815 5.467 ( 1.564 0.000 0.292) 1.591 5.489 ( -4.779 -0.000 5.616) 7.374 7.121 ( -11.316 -0.000 -3.760) 11.924 7.185 ( 5.540 0.000 -0.044) 5.540 8.045 ( -9.330 -0.000 -10.134) 13.775 8.403 ( -5.645 -0.000 0.019) 5.645 8.698 ( 4.525 0.000 13.566) 14.301 19.356 ( -1.612 -0.000 1.685) 2.331 19.489 ( -0.065 -0.000 -0.083) 0.105 38.520 ( 0.139 0.000 -2.281) 2.285 63.420 ( 6.001 0.000 -17.075) 18.099 ======================= Grid point 43 (31/322) ======================= q-point: ( 0.31 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( 14.642 -17.354 1.510) 22.756 1.576 ( 21.545 -5.706 6.469) 23.208 2.815 ( 0.804 -13.104 -0.948) 13.162 2.843 ( 35.316 -2.294 -0.420) 35.393 3.261 ( 18.669 4.723 1.531) 19.318 3.816 ( -4.396 -5.196 -1.600) 6.992 4.089 ( -3.495 4.276 0.030) 5.523 4.359 ( -11.161 1.027 -7.969) 13.752 4.510 ( -7.850 -0.822 8.156) 11.350 4.619 ( -6.801 0.646 -5.893) 9.022 5.434 ( -6.286 0.919 8.551) 10.653 5.511 ( 2.401 -1.970 -2.502) 3.988 6.979 ( -7.088 5.211 -2.149) 9.056 7.176 ( 5.108 5.966 -2.319) 8.189 7.926 ( -13.730 1.538 -3.774) 14.322 8.465 ( -5.341 -9.897 -1.979) 11.419 8.731 ( 5.049 1.672 9.868) 11.210 19.338 ( -1.262 0.725 0.958) 1.743 19.504 ( -0.556 -1.573 0.024) 1.669 38.508 ( 0.364 1.031 -1.886) 2.180 63.285 ( 9.078 16.641 -10.674) 21.754 ======================= Grid point 44 (32/322) ======================= q-point: ( 0.38 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( 12.526 -20.794 1.320) 24.312 1.880 ( 17.619 -9.436 6.845) 21.126 3.101 ( 15.896 -4.942 -3.876) 17.092 3.151 ( 7.156 -17.202 -1.562) 18.696 3.311 ( 19.284 6.426 4.471) 20.812 3.881 ( -1.366 -3.655 -5.432) 6.688 3.969 ( -8.239 2.167 0.374) 8.527 4.232 ( -7.750 2.852 -0.932) 8.311 4.461 ( -6.876 0.804 -1.859) 7.168 4.580 ( -4.180 -2.028 -1.074) 4.768 5.377 ( -5.636 0.860 6.155) 8.390 5.556 ( 0.532 -1.237 -1.636) 2.119 6.824 ( -5.454 6.360 -1.400) 8.495 7.068 ( 5.326 9.269 -2.292) 10.934 7.785 ( -15.685 0.583 0.403) 15.701 8.603 ( -0.968 -6.231 0.317) 6.314 8.767 ( 2.441 -2.862 3.808) 5.352 19.315 ( -0.901 0.878 0.444) 1.334 19.531 ( -0.856 -1.918 0.094) 2.102 38.491 ( 0.718 0.882 -1.288) 1.718 63.003 ( 11.432 21.466 -5.691) 24.977 ======================= Grid point 45 (33/322) ======================= q-point: ( 0.46 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.180 ( 10.492 -14.416 3.624) 18.194 2.212 ( 14.287 -12.506 5.831) 19.862 3.225 ( 14.836 3.252 -4.789) 15.925 3.338 ( 9.707 2.363 3.506) 10.588 3.551 ( 3.535 -18.740 -3.233) 19.343 3.815 ( -4.000 5.430 -9.694) 11.809 3.951 ( -10.338 -5.173 4.062) 12.253 4.187 ( 3.107 -0.773 0.238) 3.210 4.383 ( -7.997 0.047 -0.839) 8.041 4.615 ( -0.741 -4.047 -0.819) 4.195 5.333 ( -4.252 0.219 3.332) 5.407 5.542 ( -2.121 2.018 -1.056) 3.112 6.658 ( -4.224 6.985 -0.057) 8.163 6.948 ( 4.186 7.609 -1.225) 8.770 7.652 ( -15.228 0.553 1.284) 15.292 8.648 ( 6.044 2.711 3.221) 7.365 8.902 ( -2.250 -10.435 -1.151) 10.737 19.294 ( -0.611 0.837 0.171) 1.050 19.560 ( -0.746 -1.924 0.122) 2.067 38.487 ( 0.948 0.234 -0.824) 1.277 62.688 ( 10.151 21.985 -2.853) 24.382 ======================= Grid point 46 (34/322) ======================= q-point: ( 0.54 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.459 ( 10.007 -6.400 2.500) 12.139 2.515 ( 8.794 -8.866 7.742) 14.693 3.219 ( 12.996 8.145 0.981) 15.368 3.431 ( 5.426 -6.177 -3.423) 8.906 3.637 ( -5.303 8.616 -8.348) 13.116 3.764 ( -4.180 -4.746 -5.323) 8.266 4.014 ( -2.014 -5.471 1.757) 6.089 4.248 ( -0.339 -2.421 -1.363) 2.799 4.407 ( -6.592 -11.877 4.872) 14.431 4.707 ( 2.743 -4.627 0.071) 5.379 5.297 ( -4.298 0.940 1.179) 4.554 5.471 ( -0.518 2.867 -1.196) 3.149 6.524 ( -2.481 4.556 1.069) 5.297 6.853 ( 2.816 5.917 -0.789) 6.601 7.524 ( -13.984 0.750 0.963) 14.037 8.638 ( 7.026 4.064 2.015) 8.363 9.072 ( -1.617 -9.599 -1.120) 9.798 19.276 ( -0.362 0.639 0.045) 0.736 19.589 ( -0.449 -1.791 0.108) 1.850 38.494 ( 0.935 -0.255 -0.489) 1.085 62.362 ( 6.691 20.935 -1.340) 22.019 ======================= Grid point 47 (35/322) ======================= q-point: ( 0.62 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.538 ( 5.582 4.558 0.140) 7.208 2.689 ( 6.706 -1.349 7.814) 10.385 3.189 ( 8.096 4.625 1.339) 9.420 3.406 ( -5.547 9.171 -6.130) 12.347 3.618 ( 10.262 -5.853 -3.357) 12.282 3.775 ( -6.609 -4.921 -4.873) 9.573 4.038 ( -6.019 -1.428 0.456) 6.203 4.284 ( -2.128 -3.628 1.514) 4.470 4.600 ( -4.103 -6.403 2.843) 8.119 4.839 ( 3.203 -9.454 2.229) 10.228 5.220 ( -3.721 3.284 0.053) 4.963 5.476 ( 3.702 -1.839 -2.203) 4.684 6.458 ( -1.606 1.282 1.149) 2.355 6.775 ( 2.593 4.738 -0.565) 5.431 7.413 ( -11.706 -0.228 0.321) 11.713 8.624 ( 5.828 3.242 0.732) 6.710 9.210 ( -0.516 -6.375 -0.447) 6.411 19.265 ( -0.165 0.307 0.001) 0.349 19.617 ( -0.142 -1.544 0.059) 1.552 38.507 ( 0.706 -0.354 -0.230) 0.823 62.037 ( 2.755 18.671 -0.501) 18.880 ======================= Grid point 48 (36/322) ======================= q-point: (-0.31 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.409 ( 1.425 11.808 -0.511) 11.905 2.684 ( 4.762 6.388 3.211) 8.590 3.011 ( -1.135 17.711 -1.759) 17.834 3.372 ( -0.406 -6.868 -0.724) 6.918 3.735 ( 4.929 -0.743 5.294) 7.271 3.886 ( 4.358 -7.084 -13.014) 15.444 4.014 ( -10.547 -4.291 5.238) 12.534 4.358 ( -0.755 -5.463 1.627) 5.750 4.548 ( -3.311 6.032 0.972) 6.949 5.066 ( 4.699 -7.082 4.286) 9.519 5.147 ( -3.266 -0.253 -2.871) 4.356 5.553 ( 2.717 -2.970 -1.600) 4.332 6.439 ( -1.722 -0.029 0.600) 1.824 6.734 ( 3.017 1.846 -0.188) 3.542 7.363 ( -7.099 -3.015 -0.210) 7.716 8.620 ( 3.395 1.166 -0.008) 3.589 9.288 ( -0.064 -2.294 0.036) 2.295 19.263 ( -0.040 -0.102 -0.005) 0.110 19.642 ( 0.046 -1.215 0.009) 1.216 38.516 ( 0.380 -0.188 -0.059) 0.428 61.738 ( 0.002 15.086 -0.063) 15.086 ======================= Grid point 49 (37/322) ======================= q-point: (-0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.157 ( 0.000 15.937 0.000) 15.937 2.592 ( 0.000 5.343 0.000) 5.343 2.633 ( 0.000 21.910 0.000) 21.910 3.473 ( -0.000 -1.333 -0.000) 1.333 3.764 ( 0.000 0.292 0.000) 0.292 3.979 ( -0.000 -3.914 -0.000) 3.914 4.081 ( -0.000 -5.270 -0.000) 5.270 4.406 ( 0.000 6.157 0.000) 6.157 4.469 ( -0.000 -6.582 -0.000) 6.582 5.045 ( 0.000 4.625 0.000) 4.625 5.266 ( -0.000 -7.170 -0.000) 7.170 5.596 ( -0.000 -0.386 -0.000) 0.386 6.424 ( 0.000 0.785 0.000) 0.785 6.760 ( -0.000 -3.070 -0.000) 3.070 7.420 ( -0.000 -6.394 -0.000) 6.394 8.638 ( -0.000 -1.568 -0.000) 1.568 9.291 ( 0.000 1.817 0.000) 1.817 19.268 ( -0.000 -0.516 -0.000) 0.516 19.662 ( -0.000 -0.847 -0.000) 0.847 38.519 ( 0.000 0.010 0.000) 0.010 61.503 ( 0.000 10.275 0.000) 10.275 ======================= Grid point 56 (38/322) ======================= q-point: ( 0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( 13.824 0.000 1.726) 13.931 1.710 ( 21.470 0.000 5.372) 22.132 2.689 ( -0.027 -0.000 -0.319) 0.320 3.084 ( 27.892 0.000 -3.236) 28.079 3.480 ( 23.001 0.000 1.650) 23.061 3.730 ( -3.681 -0.000 -0.562) 3.724 4.123 ( -1.748 -0.000 0.190) 1.759 4.249 ( -14.149 -0.000 -2.467) 14.362 4.450 ( -7.083 -0.000 7.146) 10.062 4.561 ( -5.962 -0.000 -8.895) 10.708 5.398 ( -7.244 -0.000 8.981) 11.539 5.511 ( 2.819 0.000 -2.309) 3.643 6.959 ( -7.842 -0.000 -2.782) 8.321 7.279 ( 5.989 0.000 -0.043) 5.989 7.841 ( -13.135 -0.000 -6.627) 14.712 8.308 ( -6.106 -0.000 0.017) 6.106 8.797 ( 4.455 0.000 8.125) 9.266 19.335 ( -1.375 -0.000 0.819) 1.600 19.488 ( -0.059 -0.000 -0.078) 0.098 38.517 ( 0.202 0.000 -1.946) 1.956 63.471 ( 4.104 0.000 -8.712) 9.630 ======================= Grid point 57 (39/322) ======================= q-point: ( 0.38 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( 10.759 -16.207 1.312) 19.497 1.915 ( 18.624 -3.989 5.031) 19.700 2.822 ( 0.322 -14.044 -0.570) 14.059 3.259 ( 18.452 0.761 -4.020) 18.900 3.580 ( 14.856 6.055 -0.280) 16.045 3.778 ( 1.829 -4.813 -0.041) 5.149 4.005 ( -7.895 6.353 -1.305) 10.217 4.196 ( -5.108 -1.782 4.134) 6.809 4.419 ( -5.040 -1.116 1.766) 5.455 4.511 ( -3.792 -0.058 -6.787) 7.775 5.345 ( -6.988 0.371 7.335) 10.138 5.540 ( 1.844 -0.870 -1.903) 2.789 6.868 ( -5.562 3.438 -2.029) 6.846 7.262 ( 5.405 6.771 -1.366) 8.771 7.692 ( -13.882 2.416 -2.057) 14.240 8.376 ( -5.124 -10.966 -1.154) 12.159 8.823 ( 3.989 1.599 5.743) 7.173 19.320 ( -1.057 0.495 0.478) 1.261 19.498 ( -0.243 -1.123 -0.024) 1.149 38.510 ( 0.391 0.693 -1.486) 1.686 63.377 ( 4.974 12.240 -5.497) 14.310 ======================= Grid point 58 (40/322) ======================= q-point: ( 0.46 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( 7.495 -20.885 1.275) 22.225 2.158 ( 14.334 -7.395 5.045) 16.900 3.168 ( 1.973 -21.588 -1.655) 21.741 3.356 ( 12.454 0.771 -4.538) 13.278 3.544 ( 7.393 7.042 -0.228) 10.212 3.814 ( -8.999 0.571 7.491) 11.723 3.850 ( -4.793 2.238 -7.897) 9.505 4.230 ( 5.091 -0.633 5.448) 7.483 4.384 ( 0.895 3.596 -5.270) 6.443 4.512 ( -3.789 -4.896 -1.006) 6.272 5.297 ( -5.617 -0.137 4.308) 7.080 5.547 ( -1.100 0.680 -1.208) 1.770 6.744 ( -3.928 5.769 -1.004) 7.051 7.137 ( 3.634 9.574 -1.711) 10.383 7.558 ( -12.076 1.015 0.957) 12.156 8.571 ( -2.175 -12.847 -1.146) 13.080 8.823 ( 2.736 1.696 3.273) 4.591 19.303 ( -0.683 0.696 0.215) 0.999 19.522 ( -0.376 -1.677 0.037) 1.719 38.500 ( 0.659 0.574 -0.930) 1.276 63.128 ( 5.800 18.650 -2.927) 19.749 ======================= Grid point 59 (41/322) ======================= q-point: ( 0.54 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.318 ( 5.868 -16.755 1.260) 17.797 2.412 ( 8.503 -9.461 4.902) 13.632 3.407 ( 8.400 -1.272 -6.608) 10.763 3.452 ( 4.363 7.563 3.263) 9.321 3.599 ( 3.783 -14.691 -2.335) 15.349 3.716 ( -4.148 3.480 -8.183) 9.812 3.806 ( -9.254 -7.365 7.369) 13.935 4.263 ( -2.877 -1.119 4.143) 5.166 4.297 ( 3.877 6.544 -4.576) 8.877 4.626 ( 2.429 -6.936 -0.084) 7.350 5.269 ( -4.154 -0.373 1.447) 4.415 5.500 ( -2.415 2.072 -0.490) 3.220 6.604 ( -2.514 6.205 0.125) 6.696 7.001 ( 2.721 7.797 -0.934) 8.311 7.451 ( -9.575 1.483 1.047) 9.745 8.740 ( 4.837 -0.781 1.074) 5.016 8.860 ( -2.827 -9.026 -0.200) 9.461 19.286 ( -0.370 0.708 0.070) 0.802 19.552 ( -0.301 -1.897 0.058) 1.922 38.499 ( 0.677 0.094 -0.491) 0.842 62.800 ( 4.605 21.457 -1.336) 21.987 ======================= Grid point 60 (42/322) ======================= q-point: ( 0.62 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.576 ( 3.859 -5.993 -0.262) 7.132 2.631 ( 3.419 -8.461 4.537) 10.191 3.353 ( 3.827 6.882 2.139) 8.160 3.517 ( 3.004 -6.860 -5.948) 9.564 3.551 ( -2.119 9.108 -1.728) 9.510 3.699 ( -1.343 -1.875 -0.536) 2.368 4.003 ( -0.431 -3.484 0.101) 3.512 4.229 ( -0.670 -0.706 -2.340) 2.535 4.339 ( -3.005 -12.907 3.848) 13.799 4.753 ( 2.042 -4.467 0.317) 4.922 5.236 ( -2.651 1.185 0.210) 2.911 5.469 ( 0.196 -0.336 -0.511) 0.642 6.495 ( -1.163 4.004 0.477) 4.196 6.893 ( 1.893 6.117 -0.422) 6.418 7.357 ( -6.070 1.719 0.456) 6.325 8.725 ( 2.939 3.787 0.631) 4.835 9.047 ( -0.989 -10.745 -0.377) 10.797 19.272 ( -0.138 0.555 0.011) 0.572 19.585 ( -0.127 -1.865 0.037) 1.870 38.505 ( 0.403 -0.269 -0.186) 0.519 62.430 ( 2.115 21.732 -0.441) 21.839 ======================= Grid point 61 (43/322) ======================= q-point: ( 0.69 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.584 ( 0.000 5.781 0.000) 5.781 2.757 ( -0.000 -1.917 -0.000) 1.917 3.295 ( 0.000 0.439 0.000) 0.439 3.311 ( 0.000 14.733 0.000) 14.733 3.706 ( -0.000 -9.176 -0.000) 9.176 3.743 ( -0.000 -4.861 -0.000) 4.861 3.956 ( 0.000 2.775 0.000) 2.775 4.268 ( -0.000 -3.711 -0.000) 3.711 4.566 ( -0.000 -5.813 -0.000) 5.813 4.870 ( -0.000 -10.315 -0.000) 10.315 5.189 ( 0.000 2.828 0.000) 2.828 5.505 ( -0.000 -2.917 -0.000) 2.917 6.443 ( 0.000 1.353 0.000) 1.353 6.805 ( 0.000 4.454 0.000) 4.454 7.310 ( 0.000 0.236 0.000) 0.236 8.673 ( 0.000 3.041 0.000) 3.041 9.205 ( -0.000 -6.762 -0.000) 6.762 19.264 ( 0.000 0.266 0.000) 0.266 19.616 ( -0.000 -1.619 -0.000) 1.619 38.513 ( -0.000 -0.343 -0.000) 0.343 62.058 ( 0.000 19.593 0.000) 19.593 ======================= Grid point 71 (44/322) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( 9.269 0.000 1.056) 9.329 2.027 ( 16.282 0.000 3.828) 16.726 2.685 ( -0.414 -0.000 -0.064) 0.419 3.396 ( 14.060 0.000 -4.050) 14.632 3.680 ( -2.396 -0.000 -0.675) 2.489 3.796 ( 10.436 0.000 -8.452) 13.429 4.053 ( -7.715 -0.000 10.232) 12.815 4.097 ( -1.491 -0.000 0.276) 1.516 4.355 ( -6.437 -0.000 4.802) 8.031 4.514 ( 4.067 0.000 -7.520) 8.549 5.298 ( -7.324 -0.000 6.863) 10.037 5.553 ( 2.989 0.000 -2.018) 3.607 6.856 ( -4.461 -0.000 -1.882) 4.842 7.369 ( 5.035 0.000 -0.032) 5.035 7.618 ( -12.221 -0.000 -3.785) 12.794 8.215 ( -5.129 -0.000 0.013) 5.129 8.872 ( 2.968 0.000 4.337) 5.255 19.317 ( -0.926 -0.000 0.362) 0.994 19.487 ( -0.041 -0.000 -0.055) 0.068 38.517 ( 0.179 0.000 -1.270) 1.283 63.509 ( 2.336 0.000 -4.049) 4.675 ======================= Grid point 72 (45/322) ======================= q-point: ( 0.46 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( 5.809 -15.087 0.740) 16.184 2.174 ( 11.797 -3.211 3.086) 12.609 2.823 ( 0.010 -14.906 -0.193) 14.907 3.471 ( 9.687 1.517 -4.045) 10.606 3.644 ( -0.493 1.905 -2.571) 3.238 3.812 ( -3.363 -0.202 -5.591) 6.528 3.879 ( -4.294 9.244 7.158) 12.455 4.223 ( 3.541 -5.221 1.026) 6.392 4.344 ( -5.424 -4.733 3.677) 8.083 4.527 ( 7.707 3.674 -3.902) 9.387 5.251 ( -6.000 -0.265 4.425) 7.460 5.563 ( 1.424 1.127 -1.472) 2.338 6.796 ( -2.956 3.054 -1.210) 4.419 7.330 ( 3.021 8.015 -1.508) 8.697 7.499 ( -8.921 1.630 -0.054) 9.069 8.304 ( -3.333 -11.964 -0.551) 12.432 8.882 ( 2.114 1.492 2.648) 3.702 19.308 ( -0.593 0.380 0.191) 0.730 19.496 ( -0.095 -0.942 -0.020) 0.947 38.513 ( 0.249 0.421 -0.801) 0.938 63.424 ( 2.222 10.283 -2.287) 10.766 ======================= Grid point 73 (46/322) ======================= q-point: ( 0.54 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.994 ( 2.577 -20.766 0.485) 20.931 2.334 ( 5.693 -6.110 2.074) 8.605 3.190 ( 0.953 -23.544 -0.309) 23.566 3.489 ( 4.195 2.143 -3.781) 6.041 3.609 ( 3.939 2.811 -4.339) 6.500 3.704 ( -5.631 5.614 6.402) 10.209 3.763 ( -3.919 1.844 -0.357) 4.346 4.252 ( -0.939 0.869 0.174) 1.291 4.454 ( -0.692 0.110 -1.596) 1.743 4.510 ( 6.763 -2.455 0.898) 7.251 5.228 ( -3.177 -0.858 1.475) 3.607 5.526 ( -0.811 2.656 -0.538) 2.828 6.697 ( -1.517 5.514 -0.370) 5.731 7.172 ( 1.089 9.345 -0.886) 9.450 7.424 ( -4.386 1.487 0.711) 4.685 8.542 ( -0.973 -15.152 -0.467) 15.190 8.859 ( 1.032 2.631 1.116) 3.039 19.295 ( -0.252 0.601 0.062) 0.655 19.518 ( -0.104 -1.576 0.010) 1.579 38.507 ( 0.261 0.349 -0.335) 0.549 63.183 ( 1.770 17.361 -0.888) 17.473 ======================= Grid point 74 (47/322) ======================= q-point: ( 0.62 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.367 ( -0.000 -17.650 -0.000) 17.650 2.489 ( -0.000 -8.336 -0.000) 8.336 3.469 ( 0.000 0.224 0.000) 0.224 3.483 ( 0.000 3.644 0.000) 3.644 3.649 ( -0.000 -0.952 -0.000) 0.952 3.684 ( 0.000 4.520 0.000) 4.520 3.708 ( -0.000 -21.432 -0.000) 21.432 4.227 ( 0.000 0.882 0.000) 0.882 4.337 ( 0.000 7.980 0.000) 7.980 4.660 ( -0.000 -7.109 -0.000) 7.109 5.230 ( -0.000 -0.426 -0.000) 0.426 5.478 ( 0.000 1.653 0.000) 1.653 6.583 ( 0.000 5.954 0.000) 5.954 7.024 ( 0.000 7.497 0.000) 7.497 7.371 ( 0.000 2.190 0.000) 2.190 8.806 ( 0.000 3.597 0.000) 3.597 8.811 ( -0.000 -14.221 -0.000) 14.221 19.283 ( 0.000 0.661 0.000) 0.661 19.550 ( -0.000 -1.888 -0.000) 1.888 38.504 ( 0.000 0.024 0.000) 0.024 62.835 ( 0.000 21.250 0.000) 21.250 ======================= Grid point 86 (48/322) ======================= q-point: ( 0.46 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( 3.316 0.000 0.351) 3.335 2.224 ( 6.610 0.000 1.534) 6.786 2.679 ( -0.267 -0.000 0.018) 0.267 3.541 ( 4.942 0.000 -2.466) 5.523 3.653 ( -0.815 -0.000 -0.307) 0.870 3.767 ( -3.867 -0.000 -2.910) 4.840 4.053 ( 0.545 0.000 2.525) 2.583 4.080 ( -0.590 -0.000 0.130) 0.604 4.284 ( -2.870 -0.000 1.998) 3.497 4.622 ( 6.690 0.000 -1.212) 6.799 5.210 ( -4.146 -0.000 2.723) 4.960 5.590 ( 1.683 0.000 -0.960) 1.938 6.804 ( -1.564 -0.000 -0.728) 1.725 7.429 ( 2.090 0.000 -0.012) 2.090 7.465 ( -5.232 -0.000 -1.205) 5.369 8.155 ( -2.125 -0.000 0.005) 2.125 8.911 ( 1.022 0.000 1.364) 1.705 19.308 ( -0.327 -0.000 0.101) 0.342 19.487 ( -0.014 -0.000 -0.020) 0.025 38.517 ( 0.072 0.000 -0.437) 0.443 63.527 ( 0.749 0.000 -1.169) 1.388 ======================= Grid point 87 (49/322) ======================= q-point: ( 0.54 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( -0.000 -14.627 -0.000) 14.627 2.278 ( -0.000 -2.879 -0.000) 2.879 2.823 ( -0.000 -15.331 -0.000) 15.331 3.543 ( 0.000 1.735 0.000) 1.735 3.636 ( 0.000 0.961 0.000) 0.961 3.757 ( -0.000 -0.380 -0.000) 0.380 3.860 ( 0.000 10.801 0.000) 10.801 4.266 ( 0.000 0.735 0.000) 0.735 4.281 ( -0.000 -11.434 -0.000) 11.434 4.616 ( 0.000 3.756 0.000) 3.756 5.200 ( -0.000 -0.645 -0.000) 0.645 5.574 ( 0.000 2.324 0.000) 2.324 6.770 ( 0.000 3.011 0.000) 3.011 7.347 ( 0.000 8.818 0.000) 8.818 7.430 ( 0.000 0.840 0.000) 0.840 8.275 ( -0.000 -12.408 -0.000) 12.408 8.902 ( 0.000 1.446 0.000) 1.446 19.303 ( 0.000 0.346 0.000) 0.346 19.495 ( -0.000 -0.895 -0.000) 0.895 38.514 ( 0.000 0.317 0.000) 0.317 63.439 ( 0.000 9.721 0.000) 9.721 ======================= Grid point 175 (50/322) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.435 ( -0.257 -0.000 20.888) 20.890 0.568 ( 5.300 0.000 27.721) 28.223 0.852 ( -2.388 -0.000 42.043) 42.110 2.622 ( 0.223 0.000 -4.719) 4.724 2.692 ( 1.084 0.000 -6.328) 6.420 3.951 ( 0.219 0.000 1.489) 1.505 4.167 ( -0.354 -0.000 -0.517) 0.626 4.590 ( 7.875 0.000 -23.813) 25.081 4.959 ( 16.325 0.000 -0.274) 16.327 4.981 ( -17.727 -0.000 0.281) 17.730 5.617 ( -0.653 -0.000 0.316) 0.726 6.040 ( -32.539 -0.000 12.464) 34.845 6.413 ( 24.739 0.000 0.411) 24.742 7.036 ( -0.019 -0.000 -0.018) 0.026 8.086 ( 0.899 0.000 0.108) 0.906 8.555 ( 0.012 0.000 -0.008) 0.015 8.890 ( 8.154 0.000 -0.910) 8.205 19.491 ( -0.032 -0.000 -0.080) 0.086 19.521 ( 7.769 0.000 -0.000) 7.769 38.528 ( 0.316 0.000 -0.020) 0.317 61.635 ( -64.717 -0.000 -0.071) 64.717 ======================= Grid point 176 (51/322) ======================= q-point: ( 0.08 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.582 ( 5.220 -11.428 16.441) 20.692 0.797 ( 13.429 -13.121 20.727) 27.966 1.255 ( 16.394 -25.534 28.186) 41.415 2.661 ( 2.607 1.488 -7.072) 7.683 2.743 ( 1.136 -9.918 -4.576) 10.981 4.052 ( -1.814 -8.162 -6.993) 10.900 4.153 ( -1.186 1.091 0.035) 1.612 4.498 ( -4.765 5.738 -19.883) 21.236 4.846 ( -15.181 -0.581 -1.528) 15.269 5.087 ( 11.593 -0.139 -0.362) 11.599 5.436 ( -16.345 8.692 17.906) 25.755 5.697 ( 4.191 6.632 11.664) 14.057 6.500 ( 19.912 8.474 -0.952) 21.661 7.353 ( -4.593 -8.478 -7.978) 12.515 8.140 ( 3.464 -2.596 0.257) 4.337 8.510 ( 2.043 -0.374 -5.929) 6.283 8.948 ( -4.365 -2.428 0.003) 4.995 19.418 ( 0.468 3.655 2.872) 4.672 19.612 ( -1.217 -2.896 -3.144) 4.444 38.525 ( -0.809 0.212 0.135) 0.847 61.470 ( 17.956 2.683 -2.192) 18.287 ======================= Grid point 177 (52/322) ======================= q-point: ( 0.15 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( 13.224 -19.965 5.771) 24.633 1.202 ( 17.102 -14.398 15.883) 27.423 1.942 ( 15.932 -30.862 17.728) 38.995 2.621 ( 4.469 4.487 -7.445) 9.774 2.987 ( 0.672 -14.895 -7.026) 16.482 4.107 ( -3.619 1.640 1.418) 4.219 4.149 ( -2.058 -5.047 -11.120) 12.384 4.352 ( -3.969 3.642 -13.674) 14.696 4.750 ( -11.009 -0.437 -3.148) 11.459 5.090 ( -2.573 4.450 9.213) 10.550 5.342 ( 3.130 -1.160 6.247) 7.083 5.646 ( 1.720 4.145 6.138) 7.604 6.509 ( 12.405 4.355 -0.715) 13.166 7.263 ( -11.060 6.370 -0.350) 12.768 8.138 ( 6.428 6.358 2.353) 9.342 8.615 ( 1.122 -7.584 -13.035) 15.123 8.931 ( -7.396 -1.777 6.095) 9.747 19.370 ( -0.243 2.264 1.996) 3.028 19.630 ( -2.238 -1.534 -1.848) 3.283 38.510 ( -1.652 0.258 0.206) 1.684 61.572 ( 28.067 7.657 -6.010) 29.707 ======================= Grid point 178 (53/322) ======================= q-point: ( 0.23 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( 14.402 -22.675 1.832) 26.924 1.607 ( 16.184 -13.171 13.418) 24.808 2.541 ( 7.979 2.070 -4.907) 9.593 2.646 ( 11.380 -25.116 8.121) 28.745 3.223 ( 0.434 -10.402 -12.307) 16.120 4.060 ( -4.686 -0.368 0.709) 4.753 4.171 ( -2.516 -0.926 -12.838) 13.115 4.281 ( -2.530 -0.227 -3.310) 4.173 4.680 ( -8.484 -1.008 -3.669) 9.298 4.976 ( -4.948 4.985 11.205) 13.224 5.430 ( 4.785 -2.854 0.917) 5.646 5.580 ( -0.894 4.000 4.214) 5.878 6.542 ( 10.268 1.983 -0.437) 10.467 7.022 ( -11.096 9.375 1.077) 14.566 8.062 ( 6.898 7.551 1.286) 10.308 8.660 ( -5.026 0.381 -8.804) 10.145 8.969 ( -3.641 -7.052 5.405) 9.602 19.332 ( -0.442 1.776 1.043) 2.107 19.635 ( -1.879 -1.112 -1.135) 2.461 38.493 ( -1.746 0.026 0.123) 1.751 61.622 ( 24.014 8.746 -4.267) 25.910 ======================= Grid point 179 (54/322) ======================= q-point: ( 0.31 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.955 ( 12.440 -11.420 11.209) 20.269 2.007 ( 13.571 -20.763 2.043) 24.889 2.486 ( 6.539 5.321 -8.475) 11.954 3.177 ( 9.116 -15.574 -5.930) 18.996 3.339 ( -0.232 -6.978 -6.399) 9.471 4.029 ( -6.210 -1.395 -5.671) 8.525 4.158 ( 0.250 -0.424 -3.770) 3.802 4.316 ( -1.528 -5.463 5.551) 7.937 4.645 ( -5.931 -2.098 -4.693) 7.849 4.874 ( -3.254 3.687 9.549) 10.740 5.469 ( -0.028 3.122 2.514) 4.008 5.524 ( -1.147 -0.217 0.364) 1.223 6.596 ( 8.852 0.683 -0.246) 8.882 6.771 ( -9.256 8.864 0.945) 12.851 7.988 ( 6.954 6.641 0.648) 9.638 8.547 ( -8.279 4.259 -2.729) 9.702 9.094 ( -1.406 -7.473 1.096) 7.683 19.301 ( -0.405 1.347 0.431) 1.471 19.639 ( -1.368 -0.786 -0.734) 1.740 38.484 ( -1.337 -0.352 -0.008) 1.383 61.639 ( 18.143 7.290 -2.571) 19.721 ======================= Grid point 180 (55/322) ======================= q-point: ( 0.38 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( 7.984 -6.899 9.102) 13.935 2.331 ( 5.761 0.819 0.344) 5.829 2.567 ( 11.143 -13.599 -8.111) 19.363 3.239 ( 0.264 1.833 -21.243) 21.323 3.523 ( 0.166 -5.314 2.273) 5.782 4.035 ( -5.454 -3.777 -2.567) 7.113 4.187 ( 1.457 -3.625 0.164) 3.910 4.440 ( 0.828 -5.520 9.439) 10.966 4.660 ( -1.619 -3.998 -4.752) 6.418 4.822 ( 0.459 1.469 7.585) 7.740 5.383 ( -1.585 4.477 1.555) 4.997 5.505 ( -4.832 0.859 0.469) 4.930 6.564 ( -4.369 6.659 0.245) 7.968 6.657 ( 4.800 -0.327 -0.118) 4.812 7.938 ( 6.218 4.659 0.253) 7.774 8.393 ( -7.993 4.739 -0.901) 9.336 9.204 ( -0.653 -5.315 -0.457) 5.374 19.279 ( -0.268 0.843 0.114) 0.892 19.640 ( -0.818 -0.439 -0.533) 1.071 38.484 ( -0.755 -0.567 -0.078) 0.947 61.648 ( 11.433 4.467 -1.361) 12.350 ======================= Grid point 181 (56/322) ======================= q-point: ( 0.46 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( 1.234 6.816 -5.477) 8.831 2.391 ( 4.331 -2.592 6.892) 8.543 2.844 ( 4.317 -4.181 -10.971) 12.509 3.227 ( 1.605 -5.845 -10.917) 12.487 3.559 ( -0.499 -1.114 2.209) 2.524 4.021 ( -5.457 -0.655 -6.416) 8.449 4.290 ( 0.486 -4.221 5.833) 7.216 4.503 ( 0.345 -0.234 6.371) 6.385 4.739 ( 0.761 -3.109 -0.725) 3.282 4.862 ( 7.248 -1.645 6.929) 10.162 5.307 ( 0.248 2.651 -1.187) 2.915 5.416 ( -8.921 2.462 1.949) 9.457 6.455 ( -1.165 2.622 -0.309) 2.886 6.692 ( 1.967 -0.203 -0.272) 1.996 7.917 ( 2.655 1.716 -0.104) 3.163 8.263 ( -3.927 3.584 -1.259) 5.464 9.274 ( 0.070 -2.605 -0.656) 2.687 19.267 ( -0.098 0.294 -0.013) 0.310 19.640 ( -0.239 -0.072 -0.485) 0.545 38.490 ( -0.261 -0.421 -0.034) 0.496 61.658 ( 3.999 1.004 -0.509) 4.155 ======================= Grid point 182 (57/322) ======================= q-point: (-0.46 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.081 ( -2.585 8.319 -7.838) 11.718 2.411 ( -0.713 3.675 1.794) 4.151 2.771 ( -3.644 5.968 -9.144) 11.512 3.413 ( 2.037 -8.338 -8.051) 11.768 3.608 ( 2.708 -3.699 5.271) 6.985 3.968 ( -5.935 0.916 -5.687) 8.271 4.346 ( 0.802 -1.260 5.684) 5.877 4.492 ( 2.128 3.044 5.182) 6.375 4.742 ( -0.300 3.068 2.816) 4.176 4.950 ( 5.963 0.395 7.875) 9.886 5.286 ( -1.307 1.041 -4.832) 5.113 5.342 ( -2.093 -2.522 1.775) 3.727 6.452 ( 2.698 -1.773 -0.407) 3.254 6.693 ( -1.981 0.039 -0.225) 1.994 7.908 ( -5.156 -1.629 -0.476) 5.428 8.215 ( 4.915 1.642 -2.869) 5.923 9.297 ( 0.655 0.341 0.093) 0.744 19.267 ( 0.070 -0.244 -0.034) 0.256 19.638 ( 0.374 0.280 -0.553) 0.724 38.493 ( 0.091 -0.022 0.094) 0.133 61.675 ( -3.791 -2.733 0.057) 4.673 ======================= Grid point 183 (58/322) ======================= q-point: (-0.38 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( -7.038 8.948 -7.435) 13.597 2.213 ( -6.078 14.367 -4.696) 16.291 2.665 ( -4.825 0.728 -1.587) 5.132 3.424 ( -2.652 6.535 -3.994) 8.105 3.723 ( 2.063 -2.226 -8.511) 9.036 3.897 ( -3.849 -0.442 4.843) 6.202 4.371 ( 0.358 0.107 5.124) 5.138 4.440 ( 2.775 5.125 4.298) 7.241 4.668 ( 0.687 3.206 2.633) 4.205 4.964 ( 3.621 2.771 10.101) 11.082 5.277 ( 0.652 -1.582 -3.853) 4.215 5.427 ( 1.418 -4.833 -1.748) 5.331 6.566 ( 5.817 -6.822 0.286) 8.970 6.663 ( -4.452 -0.110 0.154) 4.456 7.896 ( -10.446 -4.271 -1.492) 11.384 8.267 ( 11.627 0.093 -4.744) 12.558 9.270 ( 0.801 3.344 1.438) 3.728 19.277 ( 0.221 -0.709 0.023) 0.743 19.635 ( 1.018 0.598 -0.713) 1.379 38.492 ( 0.402 0.292 0.220) 0.543 61.699 ( -11.449 -6.709 0.429) 13.277 ======================= Grid point 184 (59/322) ======================= q-point: (-0.31 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( -11.682 9.453 -4.096) 15.575 1.831 ( -8.842 19.447 -4.306) 21.792 2.639 ( -5.141 -1.878 -1.790) 5.758 3.115 ( -9.043 21.692 2.441) 23.628 3.608 ( -3.427 9.784 -11.748) 15.668 3.983 ( 2.313 -5.084 6.015) 8.209 4.336 ( 0.822 2.844 -6.190) 6.861 4.408 ( 1.689 1.241 5.967) 6.324 4.687 ( 5.428 -1.675 2.106) 6.059 4.950 ( 3.897 2.976 12.589) 13.510 5.325 ( 2.422 -2.124 -3.853) 5.022 5.502 ( -2.052 -3.524 -0.179) 4.082 6.603 ( -9.201 -1.233 -0.002) 9.283 6.824 ( 11.322 -11.764 3.151) 16.629 7.895 ( -11.393 -5.549 -3.472) 13.140 8.365 ( 14.059 0.230 -6.927) 15.674 9.194 ( 0.631 5.883 2.964) 6.617 19.295 ( 0.350 -1.046 0.207) 1.123 19.631 ( 1.674 0.925 -0.977) 2.147 38.492 ( 0.723 0.261 0.271) 0.815 61.739 ( -18.890 -11.099 0.797) 21.924 ======================= Grid point 185 (60/322) ======================= q-point: (-0.23 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( -16.110 9.992 1.541) 19.019 1.381 ( -9.173 21.107 -1.326) 23.052 2.534 ( -10.961 29.670 7.752) 32.566 2.648 ( -7.702 -2.091 -3.725) 8.808 3.339 ( -2.234 15.371 -7.847) 17.402 4.072 ( 1.727 -1.993 4.037) 4.822 4.306 ( 2.466 0.887 -16.690) 16.895 4.403 ( 1.531 1.344 2.312) 3.082 4.778 ( 7.516 -1.218 -0.054) 7.614 4.973 ( 4.207 -0.814 16.946) 17.479 5.365 ( 0.096 -1.343 -2.637) 2.961 5.533 ( -3.597 -2.822 2.586) 5.252 6.553 ( -11.152 -2.501 -0.022) 11.429 7.172 ( 11.459 -14.696 7.575) 20.116 7.902 ( -10.296 -5.180 -6.722) 13.343 8.448 ( 14.242 2.520 -9.661) 17.393 9.084 ( 1.042 6.991 4.176) 8.210 19.320 ( 0.476 -1.212 0.633) 1.447 19.625 ( 2.361 1.393 -1.431) 3.092 38.497 ( 0.932 -0.075 0.230) 0.963 61.805 ( -27.196 -16.306 1.261) 31.735 ======================= Grid point 186 (61/322) ======================= q-point: (-0.15 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( -7.204 19.995 4.794) 21.787 1.012 ( -18.648 11.070 8.283) 23.214 1.847 ( -15.434 32.959 15.156) 39.423 2.657 ( -4.513 -3.253 -6.171) 8.309 3.020 ( -0.880 16.662 -5.125) 17.454 4.102 ( 1.372 0.011 -0.138) 1.379 4.266 ( 0.843 3.804 -15.122) 15.616 4.407 ( 5.593 0.481 -5.182) 7.640 4.835 ( 8.227 1.243 -2.060) 8.571 5.071 ( 1.029 -3.618 15.537) 15.986 5.386 ( -2.137 -3.497 4.305) 5.944 5.569 ( -3.021 -3.809 4.331) 6.510 6.516 ( -13.786 -4.255 -0.513) 14.436 7.504 ( 4.171 -10.866 9.595) 15.084 7.909 ( -3.388 -3.809 -9.602) 10.872 8.468 ( 11.525 5.191 -11.069) 16.801 8.982 ( 3.732 6.438 3.737) 8.327 19.348 ( 0.737 -1.269 1.530) 2.119 19.613 ( 3.231 2.289 -2.206) 4.533 38.509 ( 0.830 -0.406 0.120) 0.932 61.898 ( -40.072 -23.123 0.779) 46.272 ======================= Grid point 187 (62/322) ======================= q-point: (-0.08 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.590 ( -2.321 14.069 16.378) 21.715 0.672 ( -12.004 12.747 16.791) 24.259 1.186 ( -17.437 25.553 27.887) 41.650 2.671 ( -1.958 -1.567 -7.066) 7.498 2.746 ( -0.127 10.874 -4.007) 11.589 4.063 ( 2.240 7.330 -7.869) 10.985 4.179 ( -1.121 1.838 -2.354) 3.190 4.478 ( 12.094 -1.882 -13.088) 17.919 4.876 ( 9.714 1.556 -2.136) 10.067 5.088 ( -9.494 -0.602 4.962) 10.729 5.540 ( 10.522 -6.417 8.680) 15.074 5.657 ( -8.985 -14.757 16.706) 24.033 6.476 ( -20.688 -6.071 -1.734) 21.630 7.477 ( -8.306 14.456 -10.814) 19.872 8.025 ( 8.848 -4.263 0.737) 9.849 8.465 ( 5.427 -1.025 -5.173) 7.567 8.913 ( 8.439 7.223 1.019) 11.155 19.389 ( 1.963 -2.331 3.284) 4.480 19.582 ( 4.503 4.461 -3.027) 7.024 38.522 ( 0.457 -0.372 -0.025) 0.590 61.962 ( -66.447 -27.876 -6.572) 72.356 ======================= Grid point 189 (63/322) ======================= q-point: ( 0.08 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.585 ( 11.606 0.000 16.863) 20.471 0.750 ( 15.200 0.000 22.026) 26.762 1.300 ( 35.605 0.000 29.988) 46.551 2.617 ( 0.636 0.000 -5.040) 5.080 2.738 ( 6.503 0.000 -6.616) 9.277 3.936 ( -2.586 -0.000 1.644) 3.064 4.162 ( -0.114 -0.000 -0.665) 0.675 4.458 ( -10.706 -0.000 -17.502) 20.517 4.745 ( -8.047 -0.000 -7.057) 10.703 5.159 ( 3.336 0.000 3.399) 4.763 5.393 ( -12.491 -0.000 9.110) 15.460 5.791 ( -2.715 -0.000 15.136) 15.378 7.054 ( 2.229 0.000 -0.024) 2.229 7.062 ( 28.433 0.000 -19.644) 34.559 8.022 ( -6.806 -0.000 -1.319) 6.932 8.536 ( -2.261 -0.000 -0.000) 2.261 8.881 ( -4.025 -0.000 2.305) 4.638 19.490 ( -0.053 -0.000 -0.097) 0.111 19.522 ( -4.826 -0.000 2.024) 5.233 38.517 ( -1.593 -0.000 0.210) 1.607 61.841 ( 55.732 0.000 -30.463) 63.514 ======================= Grid point 190 (64/322) ======================= q-point: ( 0.15 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.815 ( 16.789 -11.330 10.272) 22.711 1.079 ( 16.061 -15.204 15.264) 26.872 1.752 ( 34.887 -13.221 22.501) 43.568 2.701 ( 3.242 -4.923 -6.709) 8.931 2.781 ( 6.176 -2.482 -6.155) 9.066 3.979 ( -5.475 -5.999 -1.912) 8.344 4.145 ( -0.088 1.581 -0.375) 1.627 4.345 ( -6.419 2.051 -15.790) 17.168 4.672 ( -7.011 0.550 -8.243) 10.835 5.116 ( -9.708 2.191 10.965) 14.808 5.363 ( 3.661 -0.408 2.382) 4.387 5.745 ( -0.976 4.262 12.168) 12.930 6.808 ( 15.844 15.376 -3.224) 22.313 7.256 ( -6.782 1.063 -3.511) 7.711 8.124 ( -4.312 -10.172 -4.864) 12.072 8.511 ( -0.266 -1.265 -4.569) 4.748 8.864 ( -4.417 -0.491 5.149) 6.802 19.417 ( -1.221 3.213 2.370) 4.175 19.560 ( -3.351 -3.401 -0.541) 4.805 38.501 ( -1.677 0.285 0.058) 1.702 62.078 ( 46.171 14.155 -24.886) 54.327 ======================= Grid point 191 (65/322) ======================= q-point: ( 0.23 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( 18.328 -18.076 4.830) 26.191 1.507 ( 15.646 -15.130 12.466) 25.083 2.340 ( 27.608 -20.365 15.043) 37.460 2.715 ( 9.497 5.482 -8.076) 13.619 2.989 ( 1.792 -13.915 -8.198) 16.250 4.009 ( -7.163 -2.523 0.570) 7.616 4.113 ( -1.025 0.610 -7.687) 7.779 4.259 ( -3.815 0.978 -10.484) 11.200 4.602 ( -6.754 -0.059 -6.335) 9.260 4.997 ( -10.696 2.650 11.447) 15.889 5.432 ( 5.896 -1.894 0.198) 6.196 5.660 ( -2.140 4.953 8.928) 10.432 6.717 ( 12.586 7.684 -1.735) 14.847 7.091 ( -10.225 7.260 -0.074) 12.541 8.165 ( -4.325 0.508 -0.219) 4.360 8.579 ( -0.852 -4.743 -10.412) 11.473 8.852 ( -3.708 -2.341 7.720) 8.879 19.364 ( -1.011 2.116 1.554) 2.813 19.585 ( -2.585 -2.264 -0.770) 3.521 38.482 ( -1.504 0.290 0.014) 1.532 62.087 ( 34.383 16.600 -12.582) 40.200 ======================= Grid point 192 (66/322) ======================= q-point: ( 0.31 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( 17.152 -20.042 3.155) 26.567 1.891 ( 14.758 -11.930 11.047) 21.958 2.669 ( 11.250 7.187 -7.456) 15.291 2.926 ( 18.940 -20.600 7.329) 28.927 3.211 ( 1.870 -8.741 -13.374) 16.086 3.969 ( -6.311 0.626 -0.841) 6.398 4.109 ( -1.849 -3.371 -7.226) 8.185 4.225 ( -3.878 -1.622 -1.857) 4.595 4.558 ( -5.728 -1.413 -4.778) 7.592 4.888 ( -8.856 1.776 10.196) 13.621 5.499 ( 3.335 -0.572 -0.542) 3.427 5.558 ( -3.196 4.499 5.699) 7.934 6.703 ( 9.250 3.715 -0.801) 10.000 6.865 ( -8.443 8.731 0.469) 12.155 8.091 ( -4.973 2.833 0.319) 5.733 8.569 ( -2.097 3.053 -4.108) 5.531 8.939 ( -1.645 -7.894 2.609) 8.475 19.324 ( -0.809 1.608 0.755) 1.952 19.602 ( -1.874 -1.689 -0.606) 2.594 38.470 ( -1.016 -0.062 -0.056) 1.019 62.021 ( 25.365 15.440 -6.195) 30.334 ======================= Grid point 193 (67/322) ======================= q-point: ( 0.38 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.184 ( 12.542 -8.285 9.838) 17.964 2.235 ( 13.564 -17.161 3.396) 22.136 2.624 ( 13.361 7.040 -7.822) 17.008 3.255 ( 4.545 -0.167 -22.946) 23.392 3.379 ( 4.429 -12.088 5.921) 14.170 3.918 ( -6.138 -2.256 -3.295) 7.323 4.147 ( -0.888 -1.339 -1.461) 2.172 4.307 ( -1.242 -9.566 6.317) 11.531 4.559 ( -3.265 -3.791 -4.382) 6.651 4.826 ( -5.359 -0.327 8.519) 10.070 5.446 ( -3.179 4.298 3.041) 6.150 5.505 ( -1.338 1.955 -0.724) 2.477 6.652 ( -5.578 7.268 0.882) 9.204 6.720 ( 6.144 2.371 -0.595) 6.612 7.994 ( -7.712 2.177 0.125) 8.014 8.469 ( 1.001 6.246 -0.380) 6.337 9.078 ( -0.858 -7.752 -0.496) 7.815 19.294 ( -0.570 1.159 0.277) 1.321 19.616 ( -1.228 -1.271 -0.447) 1.823 38.469 ( -0.370 -0.485 -0.137) 0.625 61.926 ( 17.483 13.188 -3.046) 22.111 ======================= Grid point 194 (68/322) ======================= q-point: ( 0.46 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.354 ( 6.944 -0.016 5.064) 8.594 2.483 ( 11.886 3.948 4.358) 13.261 2.734 ( 11.901 -10.359 -8.233) 17.796 3.206 ( 1.484 3.031 -19.865) 20.150 3.519 ( -0.750 -3.221 1.152) 3.502 3.928 ( -6.975 -3.096 -4.418) 8.818 4.198 ( -0.748 -5.169 3.978) 6.565 4.453 ( -1.764 -5.211 7.061) 8.952 4.661 ( 2.671 -7.039 -0.900) 7.582 4.854 ( 0.793 -4.455 6.775) 8.147 5.355 ( -2.146 3.304 -0.116) 3.941 5.415 ( -5.924 4.467 0.312) 7.426 6.510 ( -1.810 4.633 0.533) 5.003 6.722 ( 2.405 1.602 -0.367) 2.913 7.890 ( -11.791 0.657 -0.041) 11.810 8.378 ( 6.136 6.446 -0.093) 8.900 9.197 ( -0.101 -5.709 -1.197) 5.834 19.274 ( -0.332 0.660 0.049) 0.740 19.628 ( -0.615 -0.878 -0.392) 1.141 38.479 ( 0.180 -0.634 -0.152) 0.676 61.818 ( 9.814 10.290 -1.368) 14.285 ======================= Grid point 195 (69/322) ======================= q-point: ( 0.54 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.281 ( 5.233 11.359 -2.820) 12.820 2.496 ( 7.031 3.922 4.285) 9.120 2.862 ( 1.702 4.548 -12.763) 13.656 3.245 ( 2.928 -8.948 -9.294) 13.229 3.575 ( 2.045 -3.194 3.503) 5.163 3.902 ( -7.008 -1.380 -6.911) 9.938 4.288 ( -2.175 -4.790 5.547) 7.645 4.511 ( -1.285 -2.215 7.069) 7.519 4.763 ( 0.705 -1.225 3.746) 4.003 4.990 ( 5.808 -3.967 6.580) 9.632 5.264 ( -8.215 2.714 -2.278) 8.946 5.327 ( 2.093 0.356 -1.638) 2.682 6.461 ( 1.757 0.724 0.150) 1.906 6.696 ( -1.168 1.714 -0.211) 2.085 7.787 ( -14.565 -1.310 -0.391) 14.629 8.343 ( 10.213 4.429 -1.341) 11.212 9.277 ( 0.493 -2.990 -0.674) 3.104 19.265 ( -0.123 0.126 -0.032) 0.179 19.637 ( -0.025 -0.498 -0.451) 0.673 38.492 ( 0.513 -0.401 -0.078) 0.656 61.708 ( 2.258 6.941 -0.414) 7.311 ======================= Grid point 196 (70/322) ======================= q-point: (-0.38 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( 2.776 14.278 -5.061) 15.401 2.414 ( 1.233 10.255 -2.328) 10.588 2.704 ( -2.697 7.253 -5.716) 9.620 3.411 ( 0.443 -5.697 -8.880) 10.560 3.679 ( 4.566 -4.026 0.391) 6.100 3.858 ( -5.424 -0.461 -2.917) 6.176 4.351 ( -1.635 -3.003 6.919) 7.718 4.528 ( 0.571 1.562 6.447) 6.658 4.709 ( -6.393 3.674 6.394) 9.759 5.040 ( 3.037 2.301 6.023) 7.127 5.227 ( -1.729 -3.471 -1.931) 4.332 5.389 ( 5.639 -2.584 -4.862) 7.881 6.509 ( 2.803 -3.325 0.217) 4.354 6.650 ( -1.518 1.234 0.236) 1.971 7.714 ( -14.461 -3.768 -1.212) 14.993 8.376 ( 11.815 1.573 -3.045) 12.302 9.308 ( 0.469 0.123 0.634) 0.798 19.267 ( 0.042 -0.396 -0.026) 0.399 19.644 ( 0.536 -0.161 -0.607) 0.826 38.500 ( 0.702 0.001 0.027) 0.703 61.604 ( -4.717 3.255 0.135) 5.733 ======================= Grid point 197 (71/322) ======================= q-point: (-0.31 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( -0.125 15.376 -4.220) 15.945 2.129 ( -2.612 18.603 -5.890) 19.688 2.597 ( -3.819 1.769 -1.032) 4.333 3.372 ( -2.554 9.642 -3.429) 10.548 3.683 ( -3.068 3.891 -13.200) 14.099 3.910 ( 3.064 -5.820 6.180) 9.025 4.368 ( -1.473 1.141 4.367) 4.748 4.454 ( -3.328 4.020 5.985) 7.941 4.671 ( -0.831 -2.882 4.621) 5.510 5.021 ( 0.486 1.741 7.269) 7.491 5.299 ( 2.925 -3.085 -2.141) 4.760 5.457 ( 3.183 -1.255 -4.221) 5.434 6.527 ( -7.134 -0.057 0.243) 7.138 6.735 ( 9.582 -7.507 1.920) 12.324 7.692 ( -12.124 -5.726 -2.566) 13.652 8.459 ( 11.896 -0.520 -4.983) 12.907 9.280 ( -0.304 3.219 2.335) 3.988 19.280 ( 0.161 -0.857 0.081) 0.876 19.650 ( 1.032 0.123 -0.851) 1.343 38.504 ( 0.865 0.244 0.082) 0.903 61.519 ( -10.496 -0.583 0.538) 10.526 ======================= Grid point 198 (72/322) ======================= q-point: (-0.23 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( -2.250 16.288 -0.390) 16.447 1.725 ( -3.188 21.884 -3.292) 22.358 2.557 ( -4.700 -1.130 -2.861) 5.617 3.008 ( -4.815 25.782 4.926) 26.686 3.526 ( -3.170 8.639 -12.225) 15.301 4.042 ( 3.390 -4.092 3.066) 6.135 4.317 ( -0.950 1.568 -10.160) 10.324 4.402 ( -3.520 0.272 7.190) 8.010 4.768 ( 3.362 -5.117 4.604) 7.660 5.007 ( -0.989 0.492 9.722) 9.784 5.353 ( 1.929 -0.300 -2.045) 2.827 5.484 ( 0.869 -1.034 -1.776) 2.231 6.463 ( -7.337 0.210 0.429) 7.353 7.008 ( 8.741 -12.712 4.823) 16.163 7.718 ( -7.693 -6.274 -4.416) 10.865 8.559 ( 11.357 -0.570 -7.524) 13.635 9.196 ( -1.485 5.369 4.089) 6.910 19.301 ( 0.244 -1.216 0.375) 1.296 19.654 ( 1.404 0.387 -1.228) 1.905 38.507 ( 0.982 0.178 0.050) 0.999 61.461 ( -14.674 -4.076 1.122) 15.270 ======================= Grid point 199 (73/322) ======================= q-point: (-0.15 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( -2.643 17.214 5.087) 18.144 1.299 ( -1.201 22.193 2.470) 22.362 2.410 ( -5.667 31.410 9.476) 33.294 2.572 ( -1.790 -0.294 -3.933) 4.332 3.290 ( -1.452 13.783 -8.923) 16.484 4.103 ( 1.095 -0.733 2.124) 2.500 4.288 ( 0.303 0.435 -17.583) 17.591 4.388 ( -2.989 -1.448 0.313) 3.336 4.890 ( 4.787 -3.344 1.899) 6.140 5.017 ( -3.866 -2.444 11.288) 12.179 5.332 ( -2.355 1.466 3.923) 4.804 5.524 ( 2.167 -2.038 -0.669) 3.049 6.412 ( -5.230 -0.154 0.410) 5.249 7.300 ( -0.314 -13.181 6.846) 14.856 7.798 ( 1.568 -6.549 -4.880) 8.316 8.623 ( 9.965 2.541 -10.776) 14.896 9.087 ( -2.295 4.930 5.255) 7.562 19.328 ( 0.322 -1.473 0.994) 1.806 19.655 ( 1.563 0.690 -1.863) 2.527 38.514 ( 0.870 -0.071 -0.024) 0.874 61.431 ( -16.774 -6.144 2.158) 17.994 ======================= Grid point 200 (74/322) ======================= q-point: (-0.08 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( -1.904 18.160 8.925) 20.324 0.957 ( 6.968 17.661 14.343) 23.795 1.768 ( 0.648 35.994 17.200) 39.898 2.604 ( -0.194 -3.414 -6.642) 7.471 2.999 ( -0.190 15.778 -5.931) 16.857 4.118 ( 0.724 -0.413 -1.143) 1.415 4.222 ( -2.159 4.216 -12.753) 13.604 4.426 ( -0.704 -4.875 -11.497) 12.508 4.944 ( -5.284 -1.578 0.820) 5.575 5.032 ( 1.509 0.507 1.746) 2.363 5.339 ( -5.739 -5.592 19.568) 21.145 5.584 ( 3.935 -2.059 0.716) 4.498 6.390 ( 0.216 -0.146 0.346) 0.433 7.439 ( -10.196 -5.808 0.527) 11.746 7.988 ( 10.300 -8.167 1.242) 13.203 8.585 ( 6.355 7.029 -12.190) 15.440 9.009 ( -2.258 2.253 3.171) 4.498 19.363 ( 0.490 -1.898 2.075) 2.854 19.647 ( 1.173 1.179 -2.867) 3.314 38.522 ( 0.308 -0.251 -0.034) 0.399 61.416 ( -12.841 -4.946 3.293) 14.149 ======================= Grid point 203 (75/322) ======================= q-point: ( 0.15 0.15 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( 14.707 0.000 12.544) 19.329 1.094 ( 20.899 0.000 12.790) 24.502 1.988 ( 41.150 0.000 20.097) 45.795 2.619 ( 1.073 0.000 -5.283) 5.391 2.864 ( 11.078 0.000 -7.992) 13.660 3.880 ( -4.584 -0.000 1.360) 4.782 4.158 ( -0.262 -0.000 -0.401) 0.479 4.300 ( -4.762 -0.000 -13.976) 14.765 4.616 ( -6.408 -0.000 -11.390) 13.069 5.047 ( -14.236 -0.000 11.032) 18.010 5.393 ( 4.832 0.000 1.460) 5.048 5.783 ( -3.481 -0.000 14.042) 14.467 7.106 ( 4.178 0.000 -0.020) 4.178 7.204 ( -2.463 -0.000 -6.773) 7.207 7.919 ( -4.221 -0.000 -9.243) 10.162 8.484 ( -4.242 -0.000 0.011) 4.242 8.855 ( -0.315 -0.000 4.729) 4.739 19.449 ( -4.463 -0.000 2.698) 5.216 19.489 ( -0.060 -0.000 -0.096) 0.114 38.493 ( -1.080 -0.000 -0.547) 1.211 62.554 ( 39.653 0.000 -34.023) 52.248 ======================= Grid point 204 (76/322) ======================= q-point: ( 0.23 0.15 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( 16.768 -13.555 8.072) 23.023 1.378 ( 17.492 -11.146 10.218) 23.121 2.391 ( 37.460 -6.487 15.283) 40.975 2.726 ( 2.228 -10.159 -5.761) 11.889 2.915 ( 12.172 3.211 -9.021) 15.487 3.882 ( -6.095 -3.756 -0.328) 7.167 4.141 ( -0.492 1.764 0.260) 1.850 4.237 ( -2.995 1.531 -12.554) 12.997 4.546 ( -6.493 0.352 -9.975) 11.907 4.935 ( -14.484 0.630 9.946) 17.581 5.447 ( 4.922 -1.357 1.410) 5.297 5.729 ( -4.581 3.677 12.712) 14.004 6.997 ( 9.333 11.782 -1.805) 15.139 7.115 ( -9.505 4.036 -1.389) 10.419 8.000 ( -8.819 -9.344 -7.160) 14.709 8.479 ( -2.558 -3.790 -3.117) 5.534 8.847 ( 0.201 1.414 5.715) 5.890 19.393 ( -2.252 2.063 1.788) 3.539 19.520 ( -1.551 -2.562 -0.165) 3.000 38.481 ( -0.675 0.469 -0.622) 1.031 62.649 ( 31.617 14.725 -22.139) 41.311 ======================= Grid point 205 (77/322) ======================= q-point: ( 0.31 0.15 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( 18.536 -17.643 4.436) 25.972 1.757 ( 12.886 -14.955 9.003) 21.696 2.817 ( 22.065 -8.226 7.313) 24.658 2.900 ( 19.655 1.372 -6.363) 20.705 3.011 ( 3.767 -11.700 -9.077) 15.280 3.899 ( -6.642 -3.418 0.991) 7.535 4.078 ( -0.913 3.340 -4.990) 6.074 4.184 ( -3.207 0.464 -5.081) 6.026 4.488 ( -5.875 -0.704 -7.091) 9.235 4.826 ( -12.943 0.137 8.818) 15.662 5.511 ( 3.660 -1.263 0.164) 3.875 5.621 ( -5.255 4.860 9.630) 11.999 6.880 ( 5.833 7.994 -0.033) 9.895 6.947 ( -5.160 6.958 -2.138) 8.923 8.011 ( -13.083 -2.696 -1.594) 13.453 8.560 ( 0.396 -4.701 -6.410) 7.959 8.840 ( -0.264 -0.982 5.973) 6.059 19.347 ( -1.441 1.641 0.988) 2.397 19.550 ( -1.606 -2.231 -0.321) 2.767 38.467 ( -0.256 0.422 -0.422) 0.649 62.544 ( 25.581 18.807 -11.378) 33.728 ======================= Grid point 206 (78/322) ======================= q-point: ( 0.38 0.15 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( 16.910 -17.626 3.006) 24.610 2.118 ( 10.893 -12.489 8.009) 18.406 2.875 ( 15.880 6.776 -6.316) 18.384 3.217 ( 9.108 -7.938 -18.502) 22.097 3.235 ( 10.448 -9.481 5.940) 15.308 3.866 ( -6.225 1.486 1.087) 6.491 4.095 ( 1.827 -6.469 -1.690) 6.932 4.148 ( -5.265 -1.146 0.708) 5.434 4.466 ( -4.656 -2.526 -4.355) 6.858 4.754 ( -9.809 -1.463 7.483) 12.424 5.496 ( -4.947 4.254 4.856) 8.133 5.538 ( 0.577 1.460 0.002) 1.570 6.740 ( -5.625 6.973 0.777) 8.993 6.839 ( 6.170 5.589 -1.575) 8.473 7.918 ( -14.639 0.044 0.231) 14.641 8.588 ( 4.171 2.893 -2.346) 5.592 8.920 ( -1.434 -7.594 1.342) 7.844 19.311 ( -0.960 1.297 0.429) 1.670 19.576 ( -1.264 -1.902 -0.295) 2.303 38.463 ( 0.253 -0.032 -0.301) 0.395 62.370 ( 19.466 18.801 -5.549) 27.626 ======================= Grid point 207 (79/322) ======================= q-point: ( 0.46 0.15 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.379 ( 9.125 -5.827 5.776) 12.272 2.449 ( 11.928 -14.493 3.223) 19.045 2.876 ( 19.350 7.656 -4.884) 21.375 3.266 ( 3.641 2.667 -20.756) 21.241 3.439 ( 1.696 -5.119 0.345) 5.403 3.817 ( -5.983 -1.883 -0.851) 6.330 4.128 ( -1.589 -1.783 2.960) 3.804 4.302 ( -1.730 -10.611 5.315) 11.994 4.526 ( -0.024 -8.053 -1.001) 8.115 4.752 ( -5.288 -4.488 5.922) 9.120 5.389 ( -4.705 3.462 1.294) 5.983 5.476 ( -1.773 4.775 -0.481) 5.116 6.587 ( -3.082 5.590 0.940) 6.452 6.793 ( 3.357 3.977 -0.664) 5.247 7.788 ( -15.672 0.718 0.569) 15.699 8.548 ( 6.963 5.634 -0.151) 8.958 9.062 ( -0.915 -8.386 -1.253) 8.528 19.285 ( -0.590 0.917 0.128) 1.097 19.599 ( -0.805 -1.574 -0.263) 1.788 38.472 ( 0.688 -0.468 -0.252) 0.869 62.166 ( 13.070 17.337 -2.583) 21.865 ======================= Grid point 208 (80/322) ======================= q-point: ( 0.54 0.15 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.471 ( 6.347 3.328 3.061) 7.793 2.677 ( 9.122 1.566 4.442) 10.266 2.917 ( 13.881 1.762 -9.321) 16.812 3.191 ( 2.081 2.741 -17.169) 17.510 3.523 ( 1.226 -4.487 2.068) 5.091 3.803 ( -6.665 -2.248 -4.316) 8.252 4.180 ( -2.932 -4.610 5.636) 7.849 4.422 ( -3.748 -5.708 6.516) 9.438 4.713 ( 2.102 -6.827 3.125) 7.797 4.867 ( -0.913 -10.583 4.879) 11.689 5.282 ( -5.941 4.570 -2.304) 7.841 5.377 ( 1.424 3.671 -0.809) 4.020 6.499 ( -0.454 2.544 0.906) 2.738 6.740 ( 0.818 3.558 -0.291) 3.662 7.652 ( -15.902 0.139 0.335) 15.906 8.508 ( 8.516 5.217 -0.544) 10.002 9.194 ( 0.037 -6.371 -1.427) 6.529 19.269 ( -0.302 0.471 -0.001) 0.559 19.619 ( -0.328 -1.218 -0.308) 1.299 38.488 ( 0.885 -0.567 -0.191) 1.069 61.948 ( 6.611 14.993 -1.029) 16.419 ======================= Grid point 209 (81/322) ======================= q-point: (-0.38 0.15 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.367 ( 5.181 12.762 0.766) 13.794 2.623 ( 7.315 9.391 0.030) 11.904 2.849 ( 0.644 10.259 -12.774) 16.396 3.268 ( 2.487 -8.185 -8.539) 12.087 3.641 ( 4.929 -4.859 0.330) 6.929 3.790 ( -4.261 -1.901 -3.347) 5.742 4.253 ( -3.836 -5.741 7.552) 10.232 4.493 ( -3.007 -4.470 7.842) 9.514 4.737 ( -6.005 3.390 6.821) 9.700 5.070 ( 2.693 -8.329 4.471) 9.829 5.149 ( -4.420 3.274 -3.604) 6.576 5.394 ( 6.564 -1.602 -4.653) 8.204 6.485 ( -0.217 -0.685 0.717) 1.015 6.686 ( 1.394 2.751 0.203) 3.091 7.543 ( -14.529 -1.887 -0.279) 14.654 8.499 ( 8.713 3.146 -1.896) 9.455 9.283 ( 0.366 -3.268 -0.455) 3.320 19.263 ( -0.096 -0.019 -0.039) 0.106 19.637 ( 0.113 -0.860 -0.442) 0.973 38.503 ( 0.849 -0.328 -0.103) 0.916 61.730 ( 0.753 11.869 -0.223) 11.895 ======================= Grid point 210 (82/322) ======================= q-point: (-0.31 0.15 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.129 ( 4.582 16.909 -0.393) 17.524 2.446 ( 4.476 16.108 -6.958) 18.109 2.644 ( -4.040 7.203 -3.969) 9.163 3.393 ( 0.076 -3.908 -9.639) 10.401 3.696 ( -1.977 0.976 -9.261) 9.520 3.848 ( 4.686 -4.817 5.210) 8.503 4.336 ( -2.515 -4.373 10.049) 11.244 4.533 ( -3.395 6.145 7.046) 9.946 4.583 ( -8.038 -2.455 6.379) 10.551 5.061 ( -1.387 2.841 0.412) 3.188 5.237 ( 2.503 -6.256 0.115) 6.739 5.476 ( 6.395 -1.122 -5.386) 8.435 6.481 ( -4.490 -0.028 0.697) 4.544 6.709 ( 6.563 -2.699 1.151) 7.189 7.499 ( -10.728 -4.803 -1.188) 11.814 8.531 ( 7.870 0.377 -3.519) 8.629 9.312 ( -0.274 0.302 1.106) 1.179 19.268 ( 0.030 -0.512 -0.007) 0.513 19.651 ( 0.451 -0.533 -0.646) 0.952 38.512 ( 0.693 -0.014 -0.035) 0.694 61.536 ( -3.496 8.077 0.166) 8.803 ======================= Grid point 211 (83/322) ======================= q-point: (-0.23 0.15 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( 4.970 18.249 1.370) 18.964 2.112 ( 2.472 21.576 -6.385) 22.636 2.525 ( -4.682 2.123 -2.884) 5.894 3.335 ( -0.763 10.452 -4.328) 11.338 3.597 ( -3.756 5.058 -10.608) 12.338 3.991 ( 5.280 -5.111 2.217) 7.676 4.342 ( -3.816 4.751 -1.338) 6.239 4.384 ( -5.138 -0.294 11.333) 12.446 4.673 ( -0.431 -6.620 6.050) 8.978 5.005 ( -3.696 1.359 2.408) 4.616 5.347 ( 2.854 -3.297 -0.162) 4.364 5.509 ( 4.206 1.351 -4.234) 6.119 6.432 ( -3.840 1.069 0.854) 4.076 6.868 ( 4.254 -8.636 2.578) 9.966 7.546 ( -3.726 -6.946 -2.153) 8.171 8.598 ( 6.492 -1.828 -5.358) 8.613 9.270 ( -1.646 3.665 2.873) 4.939 19.282 ( 0.084 -0.970 0.142) 0.984 19.662 ( 0.587 -0.241 -0.916) 1.115 38.516 ( 0.458 0.110 -0.024) 0.471 61.390 ( -4.996 4.012 0.400) 6.420 ======================= Grid point 212 (84/322) ======================= q-point: (-0.15 0.15 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( 7.589 19.132 5.233) 21.237 1.717 ( 3.023 23.040 -1.780) 23.306 2.480 ( -3.277 -1.105 -5.121) 6.179 2.988 ( 0.640 26.061 5.862) 26.719 3.450 ( -2.628 7.055 -13.036) 15.054 4.098 ( 2.750 -2.048 1.201) 3.633 4.255 ( -3.383 0.060 -12.052) 12.518 4.358 ( -3.476 0.867 7.365) 8.190 4.806 ( -0.337 -6.752 4.583) 8.168 4.958 ( -6.034 -0.354 5.297) 8.037 5.388 ( 2.826 1.716 0.852) 3.414 5.514 ( 2.471 -0.449 -1.621) 2.989 6.399 ( -0.163 0.726 0.773) 1.073 7.061 ( -4.225 -11.290 3.599) 12.580 7.688 ( 5.424 -8.101 -2.005) 9.953 8.675 ( 4.848 -1.966 -7.889) 9.466 9.165 ( -3.366 5.785 4.719) 8.189 19.304 ( 0.071 -1.361 0.503) 1.453 19.666 ( 0.364 0.062 -1.280) 1.332 38.517 ( 0.019 -0.003 -0.038) 0.043 61.319 ( -2.306 0.383 0.584) 2.410 ======================= Grid point 213 (85/322) ======================= q-point: (-0.08 0.15 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( 10.824 22.200 3.449) 24.938 1.366 ( 8.409 18.497 10.124) 22.701 2.418 ( 4.346 23.302 6.925) 24.695 2.559 ( 1.243 5.926 -1.874) 6.338 3.251 ( -0.619 12.135 -10.544) 16.088 4.107 ( -1.436 0.269 1.463) 2.068 4.238 ( -1.462 0.235 -16.302) 16.369 4.332 ( -3.239 -1.550 -2.116) 4.167 4.842 ( -10.015 -1.028 -1.134) 10.131 4.994 ( -0.738 -5.474 9.890) 11.328 5.355 ( 3.269 3.740 4.465) 6.679 5.565 ( 1.972 -2.764 1.259) 3.621 6.411 ( 4.866 -0.143 0.376) 4.882 7.200 ( -10.758 -10.087 2.351) 14.933 7.912 ( 10.267 -9.032 0.446) 13.681 8.704 ( 3.072 1.820 -11.540) 12.080 9.034 ( -5.516 4.846 6.564) 9.849 19.333 ( -0.008 -1.716 1.155) 2.069 19.660 ( -0.484 0.504 -1.728) 1.864 38.516 ( -0.768 -0.186 0.028) 0.791 61.354 ( 7.412 -2.570 -0.082) 7.845 ======================= Grid point 217 (86/322) ======================= q-point: ( 0.23 0.23 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( 14.039 0.000 9.881) 17.167 1.452 ( 20.671 0.000 6.810) 21.764 2.626 ( 1.314 0.000 -5.291) 5.451 2.662 ( 36.417 0.000 13.668) 38.897 3.049 ( 14.778 0.000 -11.812) 18.919 3.802 ( -5.251 -0.000 0.702) 5.297 4.150 ( -0.811 -0.000 0.133) 0.822 4.233 ( -0.003 -0.000 -8.943) 8.943 4.481 ( -7.401 -0.000 -10.186) 12.591 4.828 ( -15.288 -0.000 8.201) 17.348 5.470 ( 3.706 0.000 2.769) 4.627 5.734 ( -6.769 -0.000 13.765) 15.340 7.073 ( -10.291 -0.000 -1.105) 10.350 7.185 ( 5.540 0.000 -0.010) 5.541 7.819 ( -5.903 -0.000 -11.474) 12.903 8.404 ( -5.636 -0.000 0.024) 5.636 8.879 ( 1.528 0.000 4.343) 4.604 19.393 ( -3.246 -0.000 1.623) 3.629 19.488 ( -0.051 -0.000 -0.078) 0.094 38.482 ( -0.086 -0.000 -1.094) 1.098 62.984 ( 23.506 0.000 -21.715) 32.001 ======================= Grid point 218 (87/322) ======================= q-point: ( 0.31 0.23 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( 13.401 -15.643 7.576) 21.947 1.681 ( 17.943 -6.785 4.776) 19.769 2.738 ( 2.458 -10.893 -6.207) 12.776 2.963 ( 25.145 -2.594 11.032) 27.581 3.129 ( 19.136 3.240 -14.303) 24.110 3.788 ( -5.380 -2.710 -0.446) 6.040 4.130 ( -1.722 1.662 3.032) 3.863 4.204 ( 2.825 3.248 -6.331) 7.656 4.414 ( -7.530 -0.678 -8.008) 11.013 4.721 ( -13.910 -0.447 6.736) 15.462 5.512 ( 2.541 -1.281 2.176) 3.582 5.658 ( -7.773 3.168 12.195) 14.805 6.954 ( -9.055 3.829 -0.335) 9.837 7.129 ( 7.309 8.890 -2.270) 11.730 7.823 ( -11.043 -5.478 -5.998) 13.709 8.419 ( -4.020 -6.485 -2.197) 7.940 8.877 ( 1.625 1.882 4.163) 4.849 19.359 ( -2.204 1.106 0.997) 2.659 19.504 ( -0.572 -1.621 -0.102) 1.722 38.477 ( 0.329 0.497 -0.942) 1.114 63.009 ( 19.352 12.344 -14.359) 27.075 ======================= Grid point 219 (88/322) ======================= q-point: ( 0.38 0.23 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.827 ( 12.971 -20.093 5.541) 24.550 1.977 ( 13.183 -10.983 3.336) 17.480 3.000 ( 6.365 -12.444 -7.815) 16.014 3.104 ( 11.140 0.600 -5.680) 12.519 3.276 ( 19.495 -1.349 -3.351) 19.827 3.805 ( -5.199 -3.267 0.843) 6.198 4.064 ( -3.108 2.970 6.024) 7.401 4.167 ( 5.718 3.382 -3.567) 7.541 4.375 ( -6.398 -2.164 -5.112) 8.470 4.647 ( -10.653 -1.740 5.142) 11.956 5.526 ( -5.760 2.825 4.899) 8.072 5.559 ( -1.222 0.929 4.419) 4.678 6.806 ( -6.429 5.410 -0.364) 8.410 7.019 ( 6.498 8.575 -2.330) 11.009 7.781 ( -14.341 -1.852 -0.756) 14.480 8.548 ( -0.484 -8.734 -4.296) 9.746 8.859 ( 0.848 1.146 3.751) 4.013 19.325 ( -1.388 1.142 0.478) 1.860 19.531 ( -0.801 -1.928 -0.135) 2.092 38.471 ( 0.738 0.420 -0.604) 1.042 62.855 ( 16.345 18.069 -7.908) 25.616 ======================= Grid point 220 (89/322) ======================= q-point: ( 0.46 0.23 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.273 ( 11.793 -13.148 -1.228) 17.704 2.281 ( 8.116 -15.327 7.228) 18.790 3.124 ( 15.944 3.525 -4.603) 16.965 3.266 ( 6.137 -6.090 -15.775) 17.989 3.405 ( 6.327 -1.717 -2.934) 7.183 3.784 ( -4.680 1.529 5.273) 7.215 4.048 ( -6.597 -5.521 4.606) 9.758 4.177 ( 5.647 0.286 -0.431) 5.671 4.394 ( -2.570 -4.928 0.797) 5.615 4.636 ( -5.577 -4.003 2.899) 7.452 5.409 ( -6.899 3.482 3.456) 8.466 5.533 ( -1.247 2.541 0.458) 2.868 6.660 ( -4.316 5.596 0.165) 7.069 6.922 ( 4.519 6.781 -1.187) 8.235 7.675 ( -14.800 0.353 0.841) 14.828 8.659 ( 4.937 -0.562 -2.193) 5.431 8.896 ( -1.939 -6.500 0.716) 6.821 19.297 ( -0.835 0.977 0.167) 1.296 19.560 ( -0.686 -1.914 -0.137) 2.037 38.474 ( 1.049 -0.026 -0.372) 1.113 62.615 ( 12.525 19.992 -3.968) 23.923 ======================= Grid point 221 (90/322) ======================= q-point: ( 0.54 0.23 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.499 ( 5.072 -6.154 -0.802) 8.015 2.614 ( 7.012 -10.658 3.643) 13.267 3.185 ( 18.499 5.703 -2.196) 19.482 3.279 ( 4.086 6.107 -18.512) 19.917 3.454 ( 0.777 -2.879 0.870) 3.106 3.731 ( -4.009 0.074 -0.026) 4.010 4.111 ( -1.753 -1.961 5.155) 5.787 4.262 ( -3.881 -8.920 3.066) 10.199 4.524 ( -2.780 -11.002 6.139) 12.902 4.716 ( 0.625 -6.296 0.671) 6.362 5.303 ( -5.737 3.046 -0.654) 6.528 5.458 ( -0.353 4.064 -0.034) 4.080 6.545 ( -2.715 3.849 0.902) 4.796 6.839 ( 3.039 5.564 -0.479) 6.358 7.544 ( -14.076 1.190 0.919) 14.156 8.657 ( 6.142 4.400 -0.372) 7.564 9.042 ( -1.179 -9.538 -1.655) 9.752 19.277 ( -0.440 0.698 0.024) 0.825 19.588 ( -0.420 -1.734 -0.172) 1.792 38.486 ( 1.108 -0.400 -0.241) 1.203 62.329 ( 7.929 19.842 -1.764) 21.441 ======================= Grid point 222 (91/322) ======================= q-point: ( 0.62 0.23 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.558 ( 3.606 3.521 0.587) 5.074 2.758 ( 0.294 -0.709 -0.026) 0.768 3.095 ( 8.288 13.952 -13.773) 21.284 3.217 ( 6.052 1.514 -5.443) 8.279 3.574 ( 5.162 -6.561 -0.428) 8.359 3.730 ( -0.605 -2.015 -0.887) 2.283 4.130 ( -4.965 -3.736 7.173) 9.490 4.375 ( -3.683 -5.791 6.932) 9.754 4.699 ( -5.346 -6.241 5.907) 10.120 4.863 ( -0.081 -10.835 0.232) 10.838 5.200 ( -3.155 3.809 -1.821) 5.270 5.425 ( 4.467 0.433 -2.558) 5.166 6.481 ( -2.193 1.269 1.039) 2.739 6.771 ( 3.079 4.437 0.115) 5.402 7.422 ( -11.875 0.418 0.493) 11.893 8.621 ( 5.215 4.147 -1.026) 6.742 9.190 ( 0.039 -7.079 -1.393) 7.215 19.265 ( -0.174 0.327 -0.027) 0.372 19.615 ( -0.128 -1.441 -0.279) 1.473 38.503 ( 0.887 -0.450 -0.147) 1.006 62.025 ( 3.391 18.098 -0.585) 18.422 ======================= Grid point 223 (92/322) ======================= q-point: (-0.31 0.23 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.435 ( 2.438 12.345 2.934) 12.920 2.677 ( -1.914 6.168 -3.915) 7.552 2.848 ( 4.208 16.800 -12.784) 21.526 3.291 ( 2.726 -5.034 -6.500) 8.662 3.668 ( -0.896 -0.985 -7.001) 7.126 3.820 ( 7.829 -4.632 3.236) 9.655 4.207 ( -4.383 -7.338 11.352) 14.211 4.448 ( -5.009 -5.398 6.921) 10.106 4.640 ( -5.848 6.020 6.845) 10.830 5.050 ( -3.939 -6.065 -5.046) 8.818 5.147 ( 2.388 -1.771 2.459) 3.859 5.491 ( 6.094 -2.208 -4.264) 7.758 6.454 ( -2.629 0.067 0.855) 2.765 6.741 ( 3.465 1.445 0.815) 3.842 7.360 ( -6.719 -2.344 -0.084) 7.117 8.595 ( 3.575 2.125 -2.266) 4.737 9.285 ( 0.016 -3.248 -0.260) 3.258 19.262 ( -0.025 -0.106 -0.035) 0.114 19.638 ( 0.094 -1.090 -0.447) 1.182 38.515 ( 0.494 -0.237 -0.077) 0.553 61.736 ( 0.173 14.837 -0.054) 14.838 ======================= Grid point 224 (93/322) ======================= q-point: (-0.23 0.23 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.197 ( 3.220 15.646 3.851) 16.432 2.529 ( 7.913 19.783 -8.949) 23.110 2.545 ( -6.872 5.537 -4.684) 9.991 3.368 ( -0.247 -2.363 -12.070) 12.301 3.633 ( -2.926 1.855 -5.119) 6.181 3.968 ( 8.004 -3.536 1.775) 8.928 4.314 ( -4.472 -4.905 13.626) 15.156 4.420 ( -6.258 5.966 2.991) 9.148 4.569 ( 0.528 -3.702 7.432) 8.320 5.008 ( -4.557 2.176 -3.236) 5.998 5.276 ( 1.723 -6.245 1.008) 6.557 5.555 ( 4.249 -0.215 -3.837) 5.729 6.433 ( -0.925 0.640 0.806) 1.384 6.774 ( -0.692 -3.357 1.319) 3.672 7.415 ( 1.806 -6.006 -0.481) 6.291 8.599 ( 1.446 -0.688 -3.506) 3.854 9.304 ( -0.931 0.848 1.134) 1.694 19.268 ( 0.023 -0.566 0.013) 0.567 19.655 ( 0.135 -0.716 -0.647) 0.975 38.519 ( 0.025 0.009 -0.051) 0.057 61.504 ( -0.347 10.243 0.056) 10.249 ======================= Grid point 225 (94/322) ======================= q-point: (-0.15 0.23 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.949 ( 6.263 16.229 6.953) 18.734 2.177 ( 6.799 22.701 -4.784) 24.176 2.445 ( -3.175 1.284 -6.375) 7.237 3.321 ( 0.608 7.226 -10.724) 12.946 3.525 ( -2.554 6.836 -4.197) 8.418 4.078 ( 5.116 -2.804 -0.683) 5.874 4.237 ( -6.930 3.591 -1.353) 7.921 4.374 ( -0.736 1.135 10.837) 10.921 4.684 ( 0.224 -6.561 4.999) 8.251 4.925 ( -6.090 1.633 -0.270) 6.311 5.382 ( 1.311 -3.981 1.152) 4.347 5.556 ( 2.160 2.136 -2.414) 3.880 6.428 ( 3.162 0.745 0.710) 3.326 6.844 ( -7.021 -7.469 1.559) 10.369 7.593 ( 8.918 -8.232 -0.297) 12.141 8.631 ( -1.087 -3.004 -4.665) 5.654 9.245 ( -2.059 4.473 2.412) 5.483 19.283 ( -0.022 -1.016 0.177) 1.031 19.663 ( -0.130 -0.297 -0.862) 0.921 38.515 ( -0.541 0.118 -0.047) 0.556 61.374 ( 3.056 4.744 -0.146) 5.645 ======================= Grid point 226 (95/322) ======================= q-point: (-0.08 0.23 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( 11.500 15.550 10.708) 22.107 1.815 ( 9.502 23.566 -0.935) 25.426 2.445 ( 1.066 -3.081 -7.371) 8.059 3.052 ( 5.798 23.703 3.745) 24.688 3.383 ( -1.895 5.696 -12.797) 14.135 4.119 ( -1.962 1.947 0.371) 2.789 4.172 ( -1.815 -2.609 -11.452) 11.885 4.330 ( -2.027 2.820 6.102) 7.021 4.756 ( -5.978 -1.258 -2.505) 6.603 4.897 ( -3.063 -3.943 8.858) 10.168 5.439 ( 2.675 0.246 1.838) 3.255 5.535 ( 0.119 -0.244 0.019) 0.272 6.460 ( 7.031 0.208 0.338) 7.042 6.933 ( -10.565 -9.648 1.584) 14.395 7.833 ( 10.823 -8.808 0.465) 13.962 8.667 ( -3.840 -3.329 -6.096) 7.937 9.122 ( -2.845 6.936 3.536) 8.289 19.305 ( -0.165 -1.418 0.524) 1.521 19.659 ( -0.819 0.258 -1.068) 1.370 38.506 ( -1.226 0.088 0.007) 1.229 61.396 ( 11.331 -1.377 -1.029) 11.461 ======================= Grid point 231 (96/322) ======================= q-point: ( 0.31 0.31 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( 11.422 0.000 8.116) 14.011 1.778 ( 18.350 0.000 2.020) 18.461 2.635 ( 1.166 0.000 -4.970) 5.105 3.138 ( 18.323 0.000 6.631) 19.486 3.298 ( 20.257 0.000 -16.503) 26.129 3.722 ( -4.591 -0.000 -0.174) 4.594 4.134 ( -1.287 -0.000 0.743) 1.486 4.282 ( 7.885 0.000 -2.083) 8.155 4.330 ( -8.913 -0.000 -2.518) 9.262 4.616 ( -12.370 -0.000 5.235) 13.432 5.519 ( 1.504 0.000 2.753) 3.136 5.632 ( -9.370 -0.000 12.583) 15.689 6.916 ( -8.218 -0.000 -1.347) 8.327 7.278 ( 5.995 0.000 0.002) 5.995 7.676 ( -8.702 -0.000 -9.014) 12.529 8.308 ( -6.101 -0.000 0.039) 6.101 8.913 ( 1.404 0.000 2.967) 3.282 19.352 ( -2.281 -0.000 0.740) 2.398 19.487 ( -0.030 -0.000 -0.047) 0.055 38.484 ( 0.622 0.000 -1.083) 1.248 63.238 ( 13.890 0.000 -12.585) 18.743 ======================= Grid point 232 (97/322) ======================= q-point: ( 0.38 0.31 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( 9.066 -15.737 6.961) 19.450 1.959 ( 15.357 -4.592 -0.106) 16.029 2.758 ( 1.833 -12.357 -5.667) 13.718 3.244 ( 12.925 2.160 -1.660) 13.209 3.414 ( 14.774 1.278 -11.467) 18.746 3.714 ( -3.384 -2.551 -1.306) 4.435 4.093 ( -4.033 2.873 4.571) 6.739 4.268 ( -7.171 -2.061 -7.239) 10.396 4.336 ( 12.242 3.853 6.740) 14.496 4.544 ( -9.050 -1.086 4.255) 10.060 5.517 ( -6.530 1.133 4.996) 8.299 5.565 ( -2.631 0.750 7.389) 7.879 6.830 ( -5.909 2.823 -1.639) 6.750 7.229 ( 5.535 8.608 -1.908) 10.410 7.634 ( -10.573 -2.793 -3.367) 11.442 8.347 ( -4.176 -8.805 -1.500) 9.860 8.908 ( 1.021 1.788 2.312) 3.095 19.330 ( -1.626 0.630 0.383) 1.785 19.498 ( -0.215 -1.153 -0.042) 1.174 38.485 ( 0.890 0.396 -0.814) 1.269 63.224 ( 11.315 10.516 -8.540) 17.650 ======================= Grid point 233 (98/322) ======================= q-point: ( 0.46 0.31 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.990 ( 6.018 -21.137 6.243) 22.846 2.177 ( 10.453 -7.785 -2.618) 13.294 3.061 ( 4.492 -17.524 -8.693) 20.071 3.287 ( 12.200 3.114 -5.425) 13.710 3.458 ( 6.193 1.586 -6.459) 9.088 3.739 ( -3.385 -2.559 0.944) 4.347 3.990 ( -7.350 3.289 8.474) 11.689 4.243 ( -3.598 0.003 -6.435) 7.373 4.387 ( 13.940 2.622 6.642) 15.662 4.525 ( -5.544 -3.178 2.452) 6.844 5.408 ( -9.145 2.819 5.334) 10.956 5.555 ( -0.842 1.104 2.343) 2.724 6.720 ( -3.916 4.641 -1.277) 6.205 7.100 ( 4.227 8.839 -1.792) 9.960 7.572 ( -11.150 -0.221 0.390) 11.159 8.528 ( -0.717 -12.464 -2.768) 12.788 8.876 ( 0.251 2.333 1.647) 2.866 19.306 ( -0.978 0.792 0.125) 1.265 19.522 ( -0.351 -1.691 -0.046) 1.728 38.485 ( 1.108 0.316 -0.471) 1.245 63.043 ( 9.339 17.049 -4.956) 20.061 ======================= Grid point 234 (99/322) ======================= q-point: ( 0.54 0.31 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.376 ( 3.930 -10.399 -0.871) 11.151 2.410 ( 3.649 -16.379 1.107) 16.817 3.311 ( 7.866 -0.083 -16.029) 17.855 3.375 ( 12.059 -5.524 -3.284) 13.664 3.455 ( 2.006 1.549 -1.542) 2.967 3.735 ( -3.777 1.423 7.013) 8.092 3.957 ( -6.180 -8.733 6.667) 12.605 4.191 ( -1.923 2.277 -3.822) 4.847 4.431 ( 3.049 1.575 9.169) 9.790 4.607 ( 1.875 -7.031 -1.705) 7.474 5.302 ( -6.581 2.229 1.466) 7.101 5.509 ( -1.630 2.666 1.441) 3.441 6.603 ( -2.698 4.967 -0.217) 5.657 6.983 ( 3.423 7.230 -0.742) 8.034 7.473 ( -10.079 1.550 1.030) 10.249 8.730 ( 4.484 -4.925 -1.987) 6.950 8.858 ( -3.020 -4.454 0.018) 5.381 19.286 ( -0.493 0.745 0.004) 0.894 19.552 ( -0.305 -1.876 -0.073) 1.902 38.491 ( 1.088 -0.036 -0.232) 1.113 62.758 ( 6.569 20.393 -2.510) 21.572 ======================= Grid point 235 (100/322) ======================= q-point: ( 0.62 0.31 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.531 ( -0.253 -6.432 -7.038) 9.538 2.674 ( -0.669 -8.531 4.201) 9.533 3.277 ( 2.102 6.111 -17.701) 18.844 3.406 ( 4.313 6.876 1.597) 8.272 3.534 ( 11.840 -3.534 3.200) 12.764 3.700 ( -0.620 -1.171 1.244) 1.817 4.090 ( -1.976 1.096 3.884) 4.494 4.229 ( -0.363 -11.517 3.490) 12.039 4.453 ( -7.175 -7.511 6.930) 12.486 4.746 ( 1.563 -5.644 -1.095) 5.958 5.225 ( -2.858 2.100 -1.080) 3.708 5.463 ( 0.922 1.373 -0.039) 1.654 6.506 ( -2.100 3.462 0.579) 4.090 6.889 ( 2.724 5.832 0.024) 6.437 7.370 ( -6.950 1.962 0.742) 7.260 8.725 ( 1.967 4.153 -0.599) 4.634 9.023 ( -0.208 -10.928 -1.836) 11.083 19.272 ( -0.170 0.561 -0.029) 0.587 19.584 ( -0.159 -1.802 -0.155) 1.816 38.502 ( 0.768 -0.309 -0.093) 0.833 62.414 ( 3.238 21.145 -1.006) 21.415 ======================= Grid point 236 (101/322) ======================= q-point: (-0.31 -0.69 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.577 ( -1.054 0.653 -4.063) 4.248 2.696 ( -7.211 2.134 -1.101) 7.600 3.117 ( 0.466 9.746 -14.246) 17.267 3.323 ( 6.214 5.152 0.091) 8.073 3.664 ( 4.133 0.487 -3.335) 5.333 3.791 ( 7.460 -6.605 4.011) 10.741 4.074 ( -3.090 -3.204 8.839) 9.897 4.337 ( -3.131 -3.410 6.239) 7.769 4.617 ( -4.464 -8.152 4.074) 10.147 4.847 ( -2.033 -8.054 -1.714) 8.481 5.175 ( 0.329 2.056 -1.159) 2.383 5.486 ( 3.148 -1.862 -1.838) 4.093 6.448 ( -1.526 1.297 0.583) 2.086 6.812 ( 0.685 4.246 0.668) 4.353 7.314 ( -0.497 0.351 0.335) 0.695 8.658 ( -0.523 3.471 -1.433) 3.791 9.192 ( 0.631 -7.197 -1.212) 7.325 19.264 ( 0.006 0.266 -0.033) 0.268 19.613 ( -0.022 -1.536 -0.294) 1.564 38.512 ( 0.273 -0.324 -0.021) 0.424 62.056 ( 0.578 19.393 -0.211) 19.402 ======================= Grid point 237 (102/322) ======================= q-point: (-0.23 0.31 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.455 ( -1.020 10.837 3.959) 11.582 2.562 ( -8.795 3.541 -8.327) 12.618 2.903 ( 4.635 14.374 -11.032) 18.703 3.320 ( 2.413 -0.187 -5.603) 6.103 3.627 ( -2.297 1.637 -3.610) 4.581 3.973 ( 8.961 -4.224 0.562) 9.923 4.180 ( -2.140 -7.587 13.886) 15.968 4.382 ( -3.348 -3.630 3.545) 6.079 4.619 ( 1.039 3.859 7.131) 8.174 4.958 ( -5.900 -4.285 -5.736) 9.277 5.187 ( 2.084 -3.517 1.075) 4.226 5.550 ( 1.719 -2.477 -1.845) 3.535 6.434 ( 0.085 -0.222 0.162) 0.287 6.747 ( -2.906 1.913 0.993) 3.618 7.367 ( 7.480 -3.248 0.181) 8.157 8.595 ( -2.994 1.405 -2.286) 4.021 9.284 ( -0.009 -2.716 -0.276) 2.730 19.262 ( 0.055 -0.113 -0.028) 0.129 19.637 ( -0.003 -1.139 -0.458) 1.228 38.517 ( -0.238 -0.121 -0.004) 0.267 61.738 ( 0.110 15.213 0.024) 15.213 ======================= Grid point 238 (103/322) ======================= q-point: (-0.15 0.31 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.250 ( 2.028 11.954 5.540) 13.331 2.411 ( -7.503 4.268 -5.448) 10.207 2.651 ( 9.082 17.864 -8.129) 21.626 3.321 ( -1.719 -0.726 -15.228) 15.342 3.589 ( -1.705 1.183 -0.418) 2.117 4.084 ( 5.407 -1.999 -1.912) 6.073 4.250 ( -4.734 1.023 9.425) 10.596 4.405 ( 1.614 0.207 6.714) 6.909 4.616 ( 3.328 -1.791 6.644) 7.644 4.909 ( -6.378 1.749 -4.245) 7.859 5.296 ( 0.641 -5.715 1.029) 5.842 5.581 ( -0.528 -0.395 -1.049) 1.239 6.459 ( 3.339 -1.052 -0.083) 3.502 6.705 ( -6.197 -1.361 0.897) 6.408 7.541 ( 12.103 -6.528 0.349) 13.756 8.557 ( -5.668 -1.358 -2.791) 6.462 9.290 ( -0.950 1.546 0.541) 1.893 19.269 ( -0.000 -0.542 0.020) 0.543 19.652 ( -0.205 -0.640 -0.605) 0.904 38.513 ( -0.709 0.146 -0.028) 0.725 61.526 ( 2.970 8.974 -0.186) 9.454 ======================= Grid point 239 (104/322) ======================= q-point: (-0.08 0.31 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( 7.057 12.109 9.456) 16.907 2.268 ( 3.937 12.787 -0.227) 13.382 2.438 ( 6.015 6.880 -10.013) 13.556 3.289 ( -0.154 1.290 -19.692) 19.735 3.508 ( 0.253 8.284 3.043) 8.828 4.123 ( -3.921 1.469 -2.289) 4.772 4.153 ( 1.681 2.371 -1.290) 3.180 4.400 ( 0.816 3.628 10.476) 11.117 4.694 ( -0.466 -2.180 -0.544) 2.294 4.835 ( -4.409 -0.398 3.208) 5.467 5.394 ( -0.202 -4.713 1.711) 5.018 5.558 ( -1.599 1.488 -0.321) 2.207 6.520 ( 7.156 -0.790 -0.013) 7.199 6.707 ( -8.806 -5.644 0.787) 10.489 7.773 ( 12.086 -7.659 0.583) 14.320 8.545 ( -8.162 -3.594 -2.816) 9.352 9.220 ( -1.413 5.037 0.933) 5.313 19.282 ( -0.150 -0.972 0.165) 0.998 19.654 ( -0.687 -0.013 -0.710) 0.988 38.501 ( -1.132 0.340 -0.040) 1.182 61.478 ( 9.397 1.272 -0.882) 9.524 ======================= Grid point 245 (105/322) ======================= q-point: ( 0.38 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( 7.228 0.000 6.842) 9.952 2.034 ( 13.151 0.000 -2.217) 13.337 2.639 ( 0.705 0.000 -4.431) 4.487 3.363 ( 11.886 0.000 -4.528) 12.719 3.515 ( 9.606 0.000 -11.977) 15.353 3.661 ( -2.749 -0.000 -1.007) 2.927 4.114 ( -1.356 -0.000 1.256) 1.849 4.161 ( -8.932 -0.000 -2.980) 9.416 4.433 ( -3.711 -0.000 4.857) 6.113 4.531 ( 9.936 0.000 9.200) 13.541 5.468 ( -10.430 -0.000 7.313) 12.738 5.572 ( 1.129 0.000 4.804) 4.935 6.812 ( -4.172 -0.000 -2.330) 4.779 7.369 ( 5.046 0.000 0.012) 5.046 7.518 ( -8.043 -0.000 -5.621) 9.812 8.216 ( -5.130 -0.000 0.054) 5.130 8.931 ( 0.175 0.000 1.327) 1.339 19.323 ( -1.404 -0.000 0.192) 1.417 19.487 ( -0.001 -0.000 -0.009) 0.009 38.495 ( 0.944 0.000 -0.722) 1.189 63.386 ( 7.900 0.000 -7.201) 10.689 ======================= Grid point 246 (106/322) ======================= q-point: ( 0.46 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( 4.009 -14.927 6.115) 16.622 2.150 ( 8.447 -3.339 -4.203) 10.008 2.771 ( 1.308 -13.686 -4.975) 14.621 3.426 ( 11.424 2.206 -7.427) 13.803 3.528 ( 3.880 2.418 -6.872) 8.254 3.673 ( -1.528 -2.402 -1.797) 3.367 4.017 ( -6.451 4.643 6.118) 10.030 4.176 ( -1.577 -3.233 -4.874) 6.058 4.409 ( -5.496 -2.593 2.977) 6.767 4.606 ( 11.935 3.708 9.820) 15.894 5.375 ( -10.569 1.442 6.332) 12.405 5.581 ( 1.508 1.213 3.241) 3.775 6.760 ( -2.182 2.611 -2.259) 4.084 7.292 ( 2.909 8.756 -2.091) 9.461 7.491 ( -6.123 -1.125 -0.614) 6.255 8.288 ( -2.567 -10.723 -0.942) 11.066 8.916 ( -0.548 1.569 0.564) 1.755 19.310 ( -0.896 0.413 0.015) 0.987 19.496 ( -0.064 -0.954 0.002) 0.956 38.499 ( 1.021 0.294 -0.429) 1.146 63.345 ( 6.116 9.538 -5.047) 12.404 ======================= Grid point 247 (107/322) ======================= q-point: ( 0.54 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( 0.593 -20.799 5.368) 21.488 2.271 ( 2.208 -5.741 -6.277) 8.788 3.104 ( 3.028 -19.876 -8.098) 21.675 3.458 ( 9.990 2.287 -10.074) 14.371 3.508 ( 3.778 2.096 -1.405) 4.543 3.695 ( -2.595 -1.918 2.769) 4.252 3.883 ( -8.229 3.911 9.383) 13.079 4.196 ( 0.353 0.114 -4.429) 4.444 4.472 ( -1.407 -6.613 0.466) 6.777 4.599 ( 6.675 6.215 7.956) 12.103 5.281 ( -6.899 1.227 3.240) 7.720 5.551 ( -0.114 2.887 2.745) 3.985 6.678 ( -0.747 4.769 -1.442) 5.038 7.151 ( 2.714 8.588 -1.083) 9.071 7.440 ( -5.317 1.330 0.700) 5.526 8.519 ( 0.402 -14.700 -1.654) 14.798 8.869 ( -1.349 2.670 -0.122) 2.994 19.295 ( -0.407 0.603 -0.071) 0.732 19.518 ( -0.108 -1.564 -0.012) 1.568 38.501 ( 0.936 0.270 -0.141) 0.984 63.141 ( 4.288 16.587 -3.039) 17.400 ======================= Grid point 248 (108/322) ======================= q-point: (-0.38 -0.62 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.374 ( -3.915 -7.614 -8.772) 12.257 2.421 ( -1.769 -17.426 5.172) 18.263 3.339 ( 0.420 -0.509 -17.340) 17.352 3.503 ( 5.037 1.838 -1.665) 5.615 3.564 ( 10.434 -6.339 -1.945) 12.363 3.677 ( -5.280 1.459 10.377) 11.734 3.887 ( -4.490 -13.113 7.687) 15.849 4.174 ( 1.553 2.286 -2.915) 4.017 4.468 ( -0.969 7.462 8.929) 11.677 4.635 ( 0.197 -7.290 -2.196) 7.616 5.234 ( -1.423 0.767 0.326) 1.649 5.499 ( 0.145 2.510 1.903) 3.153 6.578 ( -0.112 5.460 -0.408) 5.477 7.024 ( 1.357 7.254 0.002) 7.380 7.377 ( -1.562 2.168 0.452) 2.710 8.793 ( 0.418 -13.915 -1.698) 14.025 8.798 ( -0.963 3.399 -0.745) 3.611 19.282 ( -0.061 0.635 -0.073) 0.642 19.549 ( -0.050 -1.841 -0.076) 1.843 38.505 ( 0.554 0.037 0.047) 0.558 62.819 ( 1.626 20.719 -1.494) 20.836 ======================= Grid point 249 (109/322) ======================= q-point: (-0.31 -0.62 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.454 ( -6.528 -7.064 -10.490) 14.232 2.625 ( -6.364 -6.385 4.496) 10.074 3.224 ( -4.211 6.577 -13.394) 15.504 3.463 ( 3.757 4.795 -2.781) 6.697 3.680 ( -1.960 -3.450 2.311) 4.592 3.746 ( 10.977 -3.840 8.732) 14.543 4.082 ( -0.476 0.654 3.127) 3.230 4.263 ( 3.565 -14.045 1.796) 14.601 4.353 ( -6.102 -1.138 4.956) 7.943 4.745 ( -0.982 -4.699 -0.034) 4.801 5.217 ( 1.803 1.626 -1.542) 2.876 5.481 ( 1.107 0.100 0.608) 1.267 6.489 ( 0.092 4.020 0.015) 4.021 6.904 ( -1.223 6.028 0.583) 6.178 7.354 ( 5.057 1.542 0.138) 5.289 8.703 ( -4.435 3.657 -1.389) 5.914 9.037 ( 2.267 -10.702 -1.364) 11.024 19.271 ( 0.124 0.529 -0.046) 0.546 19.582 ( 0.053 -1.800 -0.199) 1.812 38.508 ( 0.009 -0.185 0.136) 0.229 62.430 ( -1.099 21.525 -0.464) 21.558 ======================= Grid point 250 (110/322) ======================= q-point: (-0.23 -0.62 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.483 ( -9.117 -3.101 -11.291) 14.840 2.569 ( -7.403 4.344 3.201) 9.161 3.056 ( -4.646 5.871 -11.109) 13.397 3.415 ( 5.478 4.626 -2.566) 7.615 3.665 ( -2.363 3.689 1.163) 4.533 3.933 ( 7.124 -6.653 6.837) 11.906 4.097 ( 3.035 -2.814 5.925) 7.228 4.311 ( -0.938 -2.001 3.662) 4.278 4.601 ( 1.225 -11.613 1.752) 11.809 4.799 ( -2.861 -3.960 -0.178) 4.889 5.198 ( 2.748 1.738 -1.880) 3.756 5.505 ( -0.748 -2.031 0.504) 2.222 6.441 ( 0.373 1.411 -0.359) 1.503 6.790 ( -2.564 4.707 0.797) 5.419 7.411 ( 11.300 -0.659 0.052) 11.319 8.595 ( -6.630 2.958 -1.925) 7.511 9.206 ( 1.354 -6.329 -0.851) 6.528 19.265 ( 0.167 0.296 -0.031) 0.342 19.613 ( 0.097 -1.496 -0.348) 1.539 38.511 ( -0.456 -0.216 0.139) 0.523 62.043 ( -2.230 18.806 0.033) 18.938 ======================= Grid point 251 (111/322) ======================= q-point: (-0.15 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.362 ( -10.293 3.328 -6.994) 12.881 2.456 ( -2.462 5.456 1.760) 6.239 2.918 ( 0.058 6.191 -11.363) 12.941 3.345 ( 2.575 6.327 -5.515) 8.780 3.588 ( -1.912 1.507 1.194) 2.712 4.066 ( 2.252 -3.206 -1.716) 4.277 4.214 ( 2.715 -4.300 10.788) 11.927 4.384 ( 2.232 -4.213 3.494) 5.911 4.691 ( 5.563 2.469 6.509) 8.912 4.845 ( -6.074 -3.271 -4.346) 8.154 5.222 ( 2.414 -2.626 -0.566) 3.612 5.532 ( -3.839 -2.562 1.197) 4.767 6.442 ( 0.269 -1.248 -0.856) 1.537 6.701 ( -1.663 3.183 0.701) 3.659 7.555 ( 14.461 -3.614 0.173) 14.907 8.492 ( -8.975 1.042 -2.171) 9.293 9.285 ( 0.171 -1.813 -0.372) 1.859 19.264 ( 0.102 -0.042 -0.026) 0.113 19.636 ( -0.021 -0.994 -0.476) 1.102 38.508 ( -0.730 -0.008 0.077) 0.734 61.737 ( -0.404 12.929 0.025) 12.936 ======================= Grid point 252 (112/322) ======================= q-point: (-0.08 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( -2.238 0.851 -3.359) 4.125 2.331 ( 0.381 6.231 4.169) 7.507 2.769 ( 7.640 13.110 -8.308) 17.300 3.256 ( -1.370 1.476 -14.481) 14.621 3.570 ( -1.071 0.433 1.249) 1.701 4.098 ( -2.217 -0.816 -4.639) 5.206 4.251 ( 1.662 3.541 7.131) 8.134 4.463 ( 2.599 -0.459 7.507) 7.957 4.703 ( 5.502 1.736 2.760) 6.395 4.809 ( -3.980 0.603 -0.045) 4.025 5.305 ( 0.258 -4.537 0.406) 4.562 5.531 ( -5.573 -1.362 1.281) 5.878 6.486 ( -1.194 -4.092 -0.653) 4.312 6.654 ( 1.010 1.725 0.339) 2.027 7.756 ( 13.546 -5.438 0.366) 14.601 8.416 ( -10.654 -1.735 -1.864) 10.954 9.278 ( -0.535 2.142 -0.225) 2.219 19.268 ( -0.046 -0.444 0.009) 0.447 19.646 ( -0.346 -0.342 -0.542) 0.728 38.499 ( -0.838 0.326 -0.012) 0.899 61.588 ( 4.575 4.773 -0.423) 6.625 ======================= Grid point 259 (113/322) ======================= q-point: ( 0.46 0.46 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( 1.578 0.000 5.957) 6.162 2.167 ( 3.927 0.000 -5.351) 6.637 2.638 ( 0.461 0.000 -4.009) 4.035 3.520 ( 8.882 0.000 -15.494) 17.860 3.579 ( 3.077 0.000 0.098) 3.079 3.633 ( -0.310 -0.000 -1.390) 1.425 4.065 ( -1.857 -0.000 -0.589) 1.948 4.099 ( -0.890 -0.000 1.509) 1.752 4.338 ( -6.581 -0.000 4.354) 7.891 4.724 ( 6.061 0.000 9.531) 11.295 5.311 ( -9.828 -0.000 6.065) 11.549 5.619 ( 2.770 0.000 3.405) 4.390 6.773 ( 0.031 0.000 -2.325) 2.325 7.421 ( -1.924 -0.000 -2.820) 3.414 7.429 ( 2.108 0.000 0.022) 2.109 8.155 ( -2.139 -0.000 0.063) 2.139 8.921 ( -1.687 -0.000 -0.331) 1.719 19.308 ( -0.573 -0.000 -0.103) 0.583 19.487 ( 0.026 0.000 0.027) 0.037 38.510 ( 0.982 0.000 -0.221) 1.006 63.468 ( 4.206 0.000 -4.316) 6.026 ======================= Grid point 260 (114/322) ======================= q-point: (-0.46 -0.54 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( -1.674 -14.351 5.361) 15.411 2.192 ( -1.949 -2.540 -6.249) 7.021 2.777 ( 0.882 -14.550 -4.516) 15.260 3.510 ( -0.055 1.588 -14.911) 14.996 3.618 ( 11.140 1.986 -0.859) 11.348 3.654 ( -0.143 -1.589 0.589) 1.700 3.940 ( -5.203 7.165 7.518) 11.616 4.190 ( 4.389 -3.276 -4.006) 6.786 4.332 ( -5.220 -5.182 3.312) 8.067 4.725 ( -1.115 3.371 8.467) 9.182 5.248 ( -5.382 0.296 4.133) 6.792 5.616 ( 1.359 2.629 3.621) 4.676 6.753 ( 1.853 2.888 -1.685) 3.823 7.331 ( 3.387 8.259 -1.381) 9.033 7.433 ( -1.598 0.758 0.222) 1.783 8.270 ( 0.659 -11.904 -0.535) 11.934 8.890 ( -2.665 1.335 -1.077) 3.169 19.301 ( -0.166 0.328 -0.165) 0.403 19.495 ( 0.020 -0.880 0.028) 0.881 38.514 ( 0.873 0.310 0.048) 0.928 63.405 ( 2.766 9.381 -3.182) 10.285 ======================= Grid point 261 (115/322) ======================= q-point: (-0.38 -0.54 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.034 ( -4.620 -20.030 3.915) 20.926 2.219 ( -6.684 -5.449 -6.478) 10.785 3.116 ( 0.826 -19.977 -7.450) 21.337 3.464 ( -2.633 -0.342 -12.898) 13.169 3.651 ( 7.654 4.430 -2.811) 9.280 3.690 ( 1.726 -1.100 6.079) 6.414 3.785 ( -4.340 3.239 9.879) 11.266 4.225 ( 3.064 1.355 -1.917) 3.860 4.465 ( -0.661 -9.836 -0.295) 9.862 4.607 ( -5.811 6.964 8.062) 12.135 5.231 ( -0.112 -0.321 1.588) 1.624 5.568 ( 1.227 3.634 3.191) 4.989 6.693 ( 2.787 5.583 -0.826) 6.295 7.182 ( 0.753 9.377 0.032) 9.407 7.415 ( 2.831 1.349 -0.148) 3.139 8.535 ( 1.875 -14.789 -1.121) 14.950 8.831 ( -3.221 2.193 -1.486) 4.170 19.293 ( 0.157 0.546 -0.149) 0.587 19.518 ( 0.070 -1.523 -0.021) 1.525 38.513 ( 0.465 0.421 0.259) 0.678 63.172 ( 0.366 17.019 -1.973) 17.137 ======================= Grid point 262 (116/322) ======================= q-point: (-0.31 -0.54 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( -10.127 -8.428 -8.499) 15.678 2.367 ( -6.895 -15.607 4.069) 17.541 3.259 ( -5.179 2.638 -15.166) 16.242 3.531 ( -8.058 2.261 2.371) 8.698 3.576 ( 1.691 -9.285 -4.707) 10.546 3.772 ( 8.915 -3.281 7.019) 11.812 3.873 ( 2.463 -10.516 6.341) 12.525 4.214 ( 2.373 1.461 -0.951) 2.945 4.426 ( -5.494 6.952 6.446) 10.958 4.632 ( 1.203 -7.041 1.406) 7.280 5.247 ( 2.214 -0.016 -0.797) 2.353 5.526 ( 2.461 2.857 1.930) 4.236 6.599 ( 2.778 6.705 -0.273) 7.263 7.016 ( -2.198 7.945 0.524) 8.260 7.436 ( 8.680 1.248 -0.316) 8.775 8.698 ( -6.962 -0.011 -2.676) 7.458 8.859 ( 4.078 -10.118 -0.392) 10.916 19.284 ( 0.325 0.641 -0.088) 0.724 19.550 ( 0.209 -1.821 -0.139) 1.839 38.508 ( -0.160 0.245 0.364) 0.467 62.805 ( -3.043 21.310 -0.893) 21.545 ======================= Grid point 263 (117/322) ======================= q-point: (-0.23 -0.54 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.289 ( -10.514 -7.660 -10.305) 16.596 2.492 ( -11.411 -5.153 3.021) 12.880 3.089 ( -8.921 5.819 -11.075) 15.366 3.468 ( -2.909 -0.778 -1.531) 3.378 3.683 ( 2.111 -1.038 1.143) 2.616 3.927 ( 8.520 -3.389 7.769) 12.018 4.066 ( -1.898 -4.708 3.474) 6.151 4.290 ( -1.831 -5.635 1.968) 6.243 4.356 ( 6.547 -6.088 0.994) 8.995 4.739 ( 0.287 -3.828 3.832) 5.424 5.255 ( 2.925 1.348 -2.957) 4.373 5.501 ( 1.066 1.972 1.573) 2.738 6.508 ( 2.201 5.174 -0.381) 5.636 6.868 ( -2.920 6.007 0.575) 6.704 7.510 ( 13.416 0.367 -0.343) 13.425 8.588 ( -9.008 3.253 -2.715) 9.955 9.079 ( 3.041 -9.257 -0.434) 9.753 19.275 ( 0.344 0.594 -0.038) 0.688 19.585 ( 0.343 -1.734 -0.298) 1.793 38.504 ( -0.635 -0.059 0.359) 0.731 62.376 ( -5.693 21.073 -0.129) 21.828 ======================= Grid point 264 (118/322) ======================= q-point: (-0.15 -0.54 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.274 ( -12.752 -1.417 -9.981) 16.255 2.458 ( -7.440 -1.858 0.322) 7.675 2.922 ( -8.547 2.672 -8.325) 12.227 3.471 ( 2.119 1.363 -4.446) 5.110 3.646 ( 0.147 5.581 4.200) 6.986 4.015 ( 0.690 -2.963 2.441) 3.900 4.179 ( 6.077 -5.015 5.515) 9.618 4.333 ( 2.324 -2.987 3.661) 5.265 4.628 ( 1.250 -12.270 -2.432) 12.571 4.793 ( 1.975 -0.695 6.473) 6.803 5.245 ( 3.565 1.610 -3.924) 5.541 5.471 ( -3.485 0.415 2.687) 4.420 6.452 ( 1.193 2.387 -0.838) 2.797 6.759 ( -1.513 3.983 0.381) 4.278 7.635 ( 15.771 -1.196 -0.308) 15.819 8.446 ( -10.864 2.898 -2.695) 11.562 9.228 ( 1.480 -5.064 -0.264) 5.282 19.268 ( 0.256 0.401 -0.026) 0.477 19.615 ( 0.337 -1.321 -0.438) 1.432 38.501 ( -0.745 -0.174 0.265) 0.810 61.982 ( -5.516 16.395 0.175) 17.299 ======================= Grid point 265 (119/322) ======================= q-point: (-0.08 -0.54 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.189 ( -8.070 -1.962 -8.732) 12.051 2.427 ( -1.989 1.919 3.412) 4.391 2.857 ( -3.682 -1.767 -11.384) 12.095 3.382 ( 3.468 10.016 -5.914) 12.138 3.577 ( -0.139 1.683 4.300) 4.619 4.052 ( -2.692 -1.634 -4.378) 5.393 4.293 ( 3.700 -1.425 7.509) 8.492 4.439 ( 2.944 -4.448 4.227) 6.806 4.755 ( -1.877 -2.837 -2.498) 4.221 4.824 ( 6.532 1.613 8.028) 10.475 5.262 ( 2.906 -0.990 -2.897) 4.221 5.442 ( -7.522 -1.714 3.144) 8.331 6.435 ( -0.156 -0.190 -0.886) 0.919 6.701 ( 0.623 2.024 -0.003) 2.117 7.795 ( 14.215 -2.649 -0.120) 14.460 8.315 ( -11.454 0.840 -2.342) 11.721 9.289 ( 0.414 -0.934 -0.276) 1.058 19.265 ( 0.101 0.087 -0.031) 0.137 19.635 ( 0.127 -0.689 -0.506) 0.865 38.497 ( -0.577 0.043 0.118) 0.590 61.720 ( -1.890 8.488 0.017) 8.696 ======================= Grid point 273 (120/322) ======================= q-point: (-0.46 -0.46 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( -4.806 -0.000 5.468) 7.280 2.126 ( -7.360 -0.000 -5.948) 9.463 2.638 ( 0.743 0.000 -3.941) 4.011 3.493 ( -3.599 -0.000 -14.248) 14.695 3.643 ( 1.837 0.000 -1.082) 2.132 3.731 ( 12.397 0.000 -2.164) 12.584 4.061 ( -3.141 -0.000 6.567) 7.280 4.095 ( 0.001 0.000 1.405) 1.405 4.260 ( -2.291 -0.000 0.456) 2.336 4.731 ( -6.392 -0.000 7.389) 9.770 5.225 ( -1.661 -0.000 3.749) 4.101 5.651 ( -0.288 -0.000 4.474) 4.483 6.802 ( 3.818 0.000 -1.008) 3.949 7.430 ( -2.066 -0.000 0.037) 2.067 7.463 ( 7.865 0.000 -1.347) 7.980 8.155 ( 2.101 0.000 0.057) 2.101 8.873 ( -4.018 -0.000 -2.039) 4.506 19.304 ( 0.162 0.000 -0.226) 0.278 19.488 ( 0.048 0.000 0.052) 0.070 38.525 ( 0.870 0.000 0.293) 0.918 63.508 ( 2.055 0.000 -2.932) 3.580 ======================= Grid point 274 (121/322) ======================= q-point: (-0.38 -0.46 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( -7.191 -14.603 4.919) 17.004 2.062 ( -12.067 -2.641 -5.796) 13.645 2.779 ( 0.771 -14.514 -4.420) 15.192 3.429 ( -5.223 1.103 -13.400) 14.425 3.678 ( 2.498 -1.781 0.816) 3.175 3.780 ( 2.270 5.205 -5.191) 7.693 3.885 ( 1.267 6.339 9.149) 11.202 4.234 ( -7.523 -4.466 2.444) 9.084 4.288 ( 7.496 -5.727 -0.930) 9.479 4.656 ( -6.100 3.019 6.684) 9.539 5.233 ( 1.647 -0.312 2.343) 2.881 5.630 ( -0.779 1.944 4.655) 5.104 6.807 ( 4.980 3.305 -0.130) 5.979 7.348 ( -2.788 7.185 0.254) 7.711 7.490 ( 10.273 2.980 -0.951) 10.739 8.306 ( 3.846 -11.947 -0.400) 12.557 8.823 ( -5.158 1.010 -2.690) 5.905 19.303 ( 0.445 0.323 -0.217) 0.591 19.496 ( 0.094 -0.889 0.029) 0.895 38.527 ( 0.600 0.515 0.509) 0.941 63.424 ( 0.482 10.185 -2.353) 10.464 ======================= Grid point 275 (122/322) ======================= q-point: (-0.31 -0.46 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( -9.227 -17.666 1.383) 19.978 2.038 ( -13.944 -8.728 -3.410) 16.800 3.102 ( -0.152 -17.725 -8.078) 19.480 3.348 ( -7.988 -1.009 -9.724) 12.625 3.554 ( -15.462 6.645 3.848) 17.264 3.771 ( 6.760 -3.539 2.185) 7.937 3.913 ( 12.303 1.974 0.424) 12.468 4.216 ( -6.346 -0.664 2.370) 6.807 4.443 ( 1.908 -3.007 2.324) 4.253 4.586 ( 1.703 0.620 5.168) 5.477 5.260 ( 2.765 -0.350 0.412) 2.817 5.597 ( 1.207 2.149 3.545) 4.318 6.759 ( 5.380 6.545 0.453) 8.485 7.161 ( -3.090 9.867 0.490) 10.351 7.538 ( 11.992 1.356 -0.879) 12.101 8.560 ( 0.718 -10.471 -2.412) 10.769 8.769 ( -3.243 -1.399 -1.441) 3.815 19.299 ( 0.578 0.590 -0.141) 0.838 19.521 ( 0.295 -1.573 -0.081) 1.603 38.517 ( -0.057 0.792 0.624) 1.010 63.144 ( -3.430 18.687 -1.508) 19.059 ======================= Grid point 276 (123/322) ======================= q-point: (-0.23 -0.46 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.027 ( -13.029 -9.325 -7.836) 17.836 2.213 ( -13.278 -14.476 3.764) 20.001 3.106 ( -9.840 5.753 -13.151) 17.403 3.373 ( -12.751 -1.796 3.804) 13.427 3.536 ( -4.126 -16.658 -4.441) 17.727 3.929 ( 10.446 -4.959 2.846) 11.908 3.982 ( 6.154 -0.972 3.444) 7.119 4.192 ( -2.920 -2.453 1.921) 4.270 4.434 ( 5.324 3.802 3.634) 7.484 4.675 ( 2.791 -4.527 5.236) 7.463 5.283 ( 2.414 0.237 -1.810) 3.026 5.574 ( 2.444 2.843 2.027) 4.262 6.664 ( 5.220 8.266 0.478) 9.788 6.966 ( -4.073 8.058 0.441) 9.039 7.630 ( 14.851 0.390 -0.835) 14.880 8.559 ( -9.313 2.123 -4.784) 10.683 8.924 ( 3.906 -10.762 0.712) 11.471 19.291 ( 0.557 0.737 -0.051) 0.925 19.556 ( 0.602 -1.829 -0.270) 1.945 38.502 ( -0.656 0.505 0.611) 1.029 62.713 ( -8.398 22.269 -0.577) 23.807 ======================= Grid point 277 (124/322) ======================= q-point: (-0.15 -0.46 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( -12.318 -7.385 -8.912) 16.903 2.277 ( -15.438 -7.352 0.300) 17.102 2.906 ( -10.433 4.782 -7.078) 13.484 3.389 ( -6.441 -7.283 0.189) 9.724 3.710 ( 1.129 -3.566 -6.487) 7.488 3.975 ( -3.565 0.248 8.402) 9.130 4.138 ( 9.620 -6.249 3.018) 11.862 4.297 ( 1.793 -5.485 2.037) 6.119 4.473 ( 7.419 -4.005 0.245) 8.434 4.776 ( 2.500 -3.583 8.336) 9.412 5.285 ( 1.796 0.930 -3.937) 4.426 5.521 ( 0.820 4.746 1.693) 5.105 6.559 ( 4.501 7.150 -0.005) 8.449 6.816 ( -3.886 4.793 0.228) 6.174 7.753 ( 16.288 -0.114 -0.756) 16.306 8.414 ( -11.159 3.602 -4.497) 12.559 9.126 ( 2.678 -7.932 0.630) 8.395 19.282 ( 0.436 0.724 -0.004) 0.846 19.593 ( 0.789 -1.596 -0.459) 1.838 38.493 ( -0.726 -0.026 0.487) 0.874 62.243 ( -10.938 19.616 0.098) 22.460 ======================= Grid point 278 (125/322) ======================= q-point: (-0.08 -0.46 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( -11.759 -3.363 -8.888) 15.119 2.334 ( -7.593 -8.459 -2.439) 11.625 2.772 ( -7.686 0.546 -4.571) 8.959 3.466 ( -1.107 -2.869 -4.157) 5.171 3.683 ( 3.117 6.418 0.030) 7.135 3.975 ( -5.074 -3.004 0.822) 5.954 4.302 ( 6.596 -2.644 4.479) 8.400 4.385 ( 2.563 -4.276 4.592) 6.778 4.642 ( 1.574 -7.526 -0.699) 7.721 4.872 ( 4.572 -2.509 9.723) 11.034 5.278 ( 1.472 0.275 -5.347) 5.553 5.427 ( -1.894 4.806 2.337) 5.669 6.485 ( 3.476 4.467 -0.444) 5.677 6.729 ( -2.804 2.001 -0.064) 3.445 7.879 ( 12.830 -0.247 -0.449) 12.841 8.260 ( -9.558 2.758 -4.104) 10.761 9.251 ( 1.296 -3.990 0.525) 4.228 19.273 ( 0.263 0.550 -0.011) 0.610 19.622 ( 0.699 -1.018 -0.563) 1.357 38.492 ( -0.365 -0.226 0.297) 0.522 61.865 ( -9.055 12.279 0.289) 15.259 ======================= Grid point 287 (126/322) ======================= q-point: (-0.38 -0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( -10.533 -0.000 5.399) 11.836 1.918 ( -16.462 -0.000 -5.113) 17.238 2.643 ( 0.998 0.000 -4.092) 4.212 3.377 ( -6.986 -0.000 -12.088) 13.962 3.683 ( 3.218 0.000 -0.311) 3.233 3.794 ( -17.746 -0.000 -1.054) 17.777 3.997 ( 6.608 0.000 2.351) 7.014 4.105 ( 0.945 0.000 1.011) 1.384 4.318 ( 7.942 0.000 2.312) 8.272 4.650 ( -2.996 -0.000 4.681) 5.558 5.253 ( 3.324 0.000 2.320) 4.053 5.637 ( -2.444 -0.000 5.879) 6.367 6.885 ( 6.646 0.000 1.009) 6.722 7.370 ( -5.020 -0.000 0.052) 5.021 7.650 ( 14.798 0.000 -1.063) 14.836 8.216 ( 5.103 0.000 0.038) 5.103 8.780 ( -6.800 -0.000 -3.955) 7.867 19.311 ( 0.706 0.000 -0.237) 0.744 19.489 ( 0.060 0.000 0.060) 0.085 38.539 ( 0.683 0.000 0.731) 1.000 63.525 ( 0.938 0.000 -2.549) 2.716 ======================= Grid point 288 (127/322) ======================= q-point: (-0.31 -0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( -11.632 -15.726 4.983) 20.186 1.796 ( -19.079 -3.441 -4.928) 20.003 2.780 ( 0.581 -13.945 -4.530) 14.674 3.288 ( -8.900 1.315 -10.234) 13.626 3.518 ( -27.163 6.393 3.321) 28.102 3.756 ( 4.548 -3.804 0.311) 5.937 4.050 ( 11.643 1.979 -5.128) 12.876 4.134 ( -3.670 -1.527 1.623) 4.293 4.434 ( 9.987 -3.551 5.499) 11.941 4.630 ( 1.351 1.715 2.980) 3.695 5.285 ( 3.898 0.044 1.337) 4.121 5.622 ( -1.378 0.332 5.904) 6.071 6.908 ( 7.351 4.052 1.887) 8.604 7.281 ( -4.923 5.470 0.458) 7.373 7.703 ( 15.357 5.036 -1.347) 16.218 8.380 ( 5.161 -10.638 -1.084) 11.873 8.713 ( -7.571 -0.037 -3.976) 8.552 19.313 ( 0.821 0.376 -0.177) 0.920 19.499 ( 0.200 -1.010 -0.004) 1.029 38.535 ( 0.273 0.902 0.855) 1.272 63.411 ( -1.460 12.430 -2.356) 12.736 ======================= Grid point 289 (128/322) ======================= q-point: (-0.23 -0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( -15.843 -9.463 -5.582) 19.280 1.791 ( -15.134 -18.839 4.564) 24.593 3.066 ( -2.925 -9.142 -11.244) 14.784 3.179 ( -12.033 -5.655 -6.089) 14.623 3.214 ( -25.206 -0.060 6.773) 26.100 3.909 ( 9.662 -6.523 0.990) 11.700 4.071 ( 2.916 2.836 2.568) 4.810 4.141 ( 3.232 -1.288 -4.981) 6.076 4.551 ( 8.774 1.829 5.662) 10.601 4.643 ( 3.576 -2.126 4.237) 5.938 5.311 ( 3.359 0.542 -0.524) 3.442 5.619 ( 0.311 0.485 4.479) 4.516 6.859 ( 6.169 7.256 2.013) 9.735 7.103 ( -3.525 9.909 0.978) 10.562 7.765 ( 15.905 1.492 -1.576) 16.052 8.503 ( -6.741 -0.398 -7.401) 10.019 8.758 ( 2.086 -10.155 1.595) 10.489 19.310 ( 0.761 0.699 -0.049) 1.035 19.528 ( 0.678 -1.760 -0.222) 1.899 38.515 ( -0.449 1.247 0.842) 1.570 63.048 ( -8.372 22.035 -1.520) 23.620 ======================= Grid point 290 (129/322) ======================= q-point: (-0.15 -0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( -14.054 -11.851 -6.572) 19.524 1.966 ( -18.238 -11.820 2.583) 21.886 2.897 ( -12.290 4.275 -8.241) 15.402 3.131 ( -17.724 -9.285 3.000) 20.233 3.462 ( -3.416 -18.173 -5.930) 19.419 4.022 ( -0.629 3.588 6.711) 7.636 4.122 ( 12.037 -5.735 1.495) 13.417 4.222 ( 5.856 -4.373 -5.810) 9.337 4.554 ( 7.504 3.648 3.136) 8.914 4.743 ( 3.753 -3.546 9.338) 10.670 5.316 ( 2.424 1.242 -2.607) 3.771 5.601 ( 0.115 2.597 2.661) 3.720 6.764 ( 5.885 8.381 1.802) 10.398 6.893 ( -4.105 9.118 0.586) 10.016 7.884 ( 16.263 0.180 -1.205) 16.308 8.383 ( -10.498 3.099 -7.816) 13.450 8.987 ( 3.512 -10.216 1.894) 10.967 19.301 ( 0.608 0.877 0.056) 1.069 19.569 ( 1.200 -1.852 -0.504) 2.263 38.493 ( -0.641 0.617 0.691) 1.126 62.525 ( -15.229 23.172 -0.355) 27.730 ======================= Grid point 291 (130/322) ======================= q-point: (-0.08 -0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( -13.856 -6.143 -6.625) 16.542 2.026 ( -14.292 -13.928 -3.010) 20.182 2.745 ( -7.801 3.102 -3.190) 8.980 3.263 ( -9.173 -14.625 0.465) 17.270 3.681 ( -2.026 -8.831 -10.960) 14.220 3.952 ( -0.926 4.139 8.561) 9.555 4.296 ( 7.179 -5.443 3.184) 9.555 4.337 ( 3.231 -2.556 -0.578) 4.160 4.588 ( 6.592 -1.167 1.113) 6.787 4.853 ( 4.071 -3.963 11.592) 12.909 5.301 ( 1.673 1.677 -4.124) 4.756 5.526 ( -0.780 5.278 1.010) 5.430 6.660 ( 8.097 9.394 1.284) 12.468 6.734 ( -6.669 3.239 -0.069) 7.414 7.978 ( 7.787 1.789 -0.428) 8.002 8.250 ( -3.663 2.470 -7.426) 8.640 9.166 ( 1.942 -6.802 1.780) 7.294 19.289 ( 0.419 0.882 0.072) 0.979 19.608 ( 1.325 -1.345 -0.690) 2.010 38.486 ( -0.146 -0.135 0.455) 0.497 62.025 ( -16.206 16.548 0.371) 23.165 ======================= Grid point 301 (131/322) ======================= q-point: (-0.31 -0.31 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( -14.740 -0.000 5.875) 15.868 1.593 ( -22.228 -0.000 -4.575) 22.694 2.648 ( 0.800 0.000 -4.220) 4.295 3.206 ( -14.135 -0.000 -2.858) 14.421 3.326 ( -33.820 -0.000 -0.444) 33.823 3.741 ( 3.913 0.000 0.441) 3.938 4.127 ( 1.480 0.000 0.547) 1.578 4.139 ( 8.991 0.000 -12.951) 15.766 4.495 ( 11.615 0.000 10.930) 15.949 4.672 ( 4.528 0.000 0.221) 4.533 5.322 ( 4.259 0.000 1.366) 4.473 5.617 ( -1.737 -0.000 7.836) 8.027 7.023 ( 10.008 0.000 3.438) 10.582 7.280 ( -5.989 -0.000 0.056) 5.989 7.901 ( 16.153 0.000 -1.959) 16.271 8.308 ( 6.086 0.000 0.017) 6.086 8.635 ( -9.927 -0.000 -6.016) 11.607 19.324 ( 0.953 0.000 -0.161) 0.966 19.490 ( 0.060 0.000 0.051) 0.079 38.549 ( 0.393 0.000 0.972) 1.048 63.529 ( 0.527 0.000 -3.378) 3.419 ======================= Grid point 302 (132/322) ======================= q-point: (-0.23 -0.31 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( -14.716 -17.397 5.925) 23.544 1.447 ( -22.532 -5.067 -4.597) 23.548 2.774 ( -0.440 -12.969 -4.619) 13.774 2.970 ( -39.498 1.087 10.288) 40.830 3.113 ( -10.930 2.653 -11.250) 15.908 3.842 ( 5.700 -6.815 1.188) 8.964 4.116 ( 0.745 2.057 1.756) 2.805 4.189 ( 7.993 0.013 -14.850) 16.864 4.625 ( 9.768 -2.392 11.052) 14.942 4.697 ( 7.229 2.521 0.093) 7.657 5.351 ( 3.652 0.549 0.121) 3.695 5.620 ( -0.701 -0.412 8.021) 8.062 7.032 ( 5.046 6.961 2.675) 9.004 7.223 ( -0.321 3.276 2.398) 4.072 7.949 ( 15.364 5.118 -2.624) 16.405 8.426 ( -1.677 -3.040 -7.601) 8.356 8.594 ( -3.373 -7.334 0.079) 8.073 19.327 ( 0.890 0.459 -0.021) 1.002 19.503 ( 0.399 -1.337 -0.101) 1.399 38.539 ( -0.124 1.370 0.950) 1.671 63.361 ( -4.189 17.229 -3.632) 18.099 ======================= Grid point 303 (133/322) ======================= q-point: (-0.15 -0.31 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( -19.273 -12.206 -3.995) 23.161 1.566 ( -15.232 -17.819 4.382) 23.848 2.694 ( -33.935 -6.161 4.993) 34.849 2.945 ( -10.029 1.867 -7.792) 12.837 3.089 ( -2.650 -17.824 -2.858) 18.245 4.048 ( 2.957 -5.269 4.994) 7.838 4.103 ( 7.584 -2.230 1.165) 7.991 4.233 ( 7.224 -0.189 -15.265) 16.889 4.684 ( 4.794 2.996 -1.202) 5.779 4.753 ( 9.194 -0.652 14.233) 16.957 5.359 ( 2.810 1.246 -1.783) 3.554 5.626 ( -1.087 0.480 6.200) 6.313 6.891 ( -4.860 7.308 0.620) 8.798 7.127 ( 7.682 11.380 5.269) 14.707 8.019 ( 15.587 1.020 -1.974) 15.745 8.334 ( -10.690 1.931 -12.489) 16.552 8.819 ( 4.303 -11.790 3.187) 12.949 19.322 ( 0.730 0.819 0.192) 1.114 19.543 ( 1.338 -2.122 -0.523) 2.563 38.508 ( -0.567 1.487 0.810) 1.786 62.852 ( -16.451 27.110 -1.955) 31.771 ======================= Grid point 304 (134/322) ======================= q-point: (-0.08 -0.31 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( -12.897 -15.390 -4.639) 20.608 1.653 ( -20.702 -9.585 1.211) 22.845 2.698 ( -10.836 -7.359 -1.704) 13.209 2.853 ( -16.597 -10.647 1.775) 19.798 3.397 ( -2.853 -16.958 -7.073) 18.594 4.037 ( 0.825 3.016 6.242) 6.981 4.278 ( 5.779 -1.378 -10.002) 11.634 4.316 ( 8.105 -5.640 -0.582) 9.892 4.669 ( 6.315 2.722 0.643) 6.906 4.848 ( 5.760 -1.721 14.822) 15.994 5.348 ( 2.295 1.867 -3.354) 4.472 5.586 ( -2.950 2.790 3.442) 5.323 6.725 ( -9.190 4.196 0.131) 10.103 6.968 ( 10.773 13.967 4.651) 18.242 8.059 ( -1.681 4.234 -1.196) 4.710 8.264 ( 5.989 -1.014 -11.761) 13.237 9.043 ( 2.735 -8.934 3.080) 9.837 19.310 ( 0.553 1.027 0.279) 1.199 19.592 ( 1.930 -1.785 -0.892) 2.776 38.488 ( 0.002 0.416 0.545) 0.685 62.218 ( -23.107 22.260 0.118) 32.085 ======================= Grid point 315 (135/322) ======================= q-point: (-0.23 -0.23 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( -17.311 -0.000 7.238) 18.763 1.199 ( -25.218 -0.000 -3.710) 25.490 2.645 ( -45.871 -0.000 13.735) 47.883 2.648 ( 0.368 0.000 -4.263) 4.279 3.039 ( -10.655 -0.000 -10.538) 14.986 3.808 ( 4.072 0.000 0.882) 4.166 4.152 ( 1.352 0.000 0.202) 1.367 4.217 ( 5.662 0.000 -17.071) 17.985 4.684 ( 7.574 0.000 4.656) 8.891 4.803 ( 11.679 0.000 5.772) 13.027 5.382 ( 2.858 0.000 -0.532) 2.907 5.625 ( 0.265 0.000 10.806) 10.809 7.186 ( -5.555 -0.000 0.045) 5.555 7.219 ( 12.642 0.000 5.618) 13.834 8.132 ( 12.684 0.000 -7.839) 14.911 8.403 ( 5.633 0.000 0.001) 5.633 8.442 ( -11.544 -0.000 -4.274) 12.309 19.339 ( 0.872 0.000 0.093) 0.877 19.491 ( 0.048 0.000 0.025) 0.054 38.554 ( -0.082 -0.000 0.834) 0.838 63.524 ( 0.078 0.000 -7.232) 7.232 ======================= Grid point 316 (136/322) ======================= q-point: (-0.15 -0.23 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( -22.305 -9.927 1.691) 24.473 1.107 ( -16.300 -17.413 2.827) 24.018 2.300 ( -44.739 -2.583 13.277) 46.739 2.767 ( -0.377 -12.304 -4.600) 13.141 2.922 ( -10.007 2.154 -7.636) 12.771 3.938 ( 5.776 -9.164 0.919) 10.872 4.145 ( 2.319 1.158 0.672) 2.678 4.254 ( 5.260 -1.063 -16.726) 17.566 4.734 ( 4.615 0.448 -2.156) 5.113 4.890 ( 11.993 2.184 13.272) 18.021 5.394 ( 2.015 0.637 -1.987) 2.901 5.638 ( 0.209 0.683 10.693) 10.717 7.003 ( -7.129 10.535 -0.258) 12.723 7.351 ( 11.966 2.074 7.789) 14.427 8.163 ( 10.931 1.496 -11.479) 15.922 8.264 ( -10.813 4.271 -7.781) 13.990 8.639 ( 5.490 -12.663 4.110) 14.401 19.341 ( 0.767 0.515 0.452) 1.029 19.512 ( 0.844 -2.063 -0.350) 2.256 38.535 ( -0.576 1.691 0.669) 1.907 63.236 ( -11.334 26.648 -7.789) 29.988 ======================= Grid point 317 (137/322) ======================= q-point: (-0.08 -0.23 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( -16.250 -16.830 -0.931) 23.413 1.309 ( -18.423 -13.064 4.698) 23.068 2.186 ( -29.712 -20.143 10.778) 37.479 2.776 ( -8.421 3.478 -6.387) 11.127 3.050 ( -1.445 -17.643 -4.420) 18.245 4.078 ( 1.226 -0.252 2.568) 2.857 4.248 ( 6.737 -7.208 -6.139) 11.620 4.299 ( 7.069 -1.571 -10.756) 12.967 4.745 ( 4.383 1.162 -2.994) 5.434 4.942 ( 8.551 3.032 17.694) 19.885 5.388 ( 1.379 1.250 -2.991) 3.523 5.610 ( -2.933 2.553 7.605) 8.541 6.743 ( -12.602 7.754 -0.452) 14.804 7.320 ( 12.415 12.252 9.540) 19.881 8.085 ( -11.674 4.352 -8.376) 15.013 8.280 ( 13.907 -3.874 -11.554) 18.491 8.901 ( 4.743 -10.184 4.003) 11.926 19.334 ( 0.678 0.940 0.723) 1.366 19.570 ( 2.377 -2.531 -1.145) 3.656 38.503 ( -0.148 1.156 0.514) 1.274 62.483 ( -29.854 31.001 -2.113) 43.091 ======================= Grid point 329 (138/322) ======================= q-point: (-0.15 -0.15 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( -17.886 -0.000 10.233) 20.606 0.788 ( -24.696 -0.000 0.788) 24.709 1.920 ( -48.364 -0.000 19.011) 51.966 2.641 ( 0.044 0.000 -4.309) 4.309 2.859 ( -8.744 -0.000 -8.043) 11.880 3.873 ( 3.657 0.000 1.061) 3.807 4.169 ( 0.675 0.000 -0.009) 0.675 4.263 ( 5.655 0.000 -15.343) 16.352 4.774 ( 4.684 0.000 -5.392) 7.142 5.020 ( 10.460 0.000 14.682) 18.027 5.412 ( 2.005 0.000 -2.932) 3.552 5.676 ( 2.484 0.000 13.676) 13.900 7.107 ( -4.207 -0.000 0.024) 4.207 7.410 ( 6.683 0.000 1.724) 6.902 8.100 ( -10.409 -0.000 -24.137) 26.286 8.428 ( 9.200 0.000 10.796) 14.184 8.483 ( 4.252 0.000 -0.009) 4.252 19.353 ( 0.856 0.000 1.068) 1.369 19.491 ( 0.026 0.000 -0.011) 0.028 38.549 ( -0.740 -0.000 0.179) 0.761 63.466 ( -5.773 -0.000 -20.720) 21.509 ======================= Grid point 330 (139/322) ======================= q-point: (-0.08 -0.15 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( -17.495 -12.165 5.193) 21.932 0.875 ( -14.768 -19.974 8.432) 26.233 1.635 ( -41.152 -10.082 20.537) 47.084 2.742 ( -2.443 -6.515 -6.865) 9.775 2.777 ( -4.731 -3.256 -4.368) 7.216 4.022 ( 4.598 -8.831 -3.183) 10.453 4.182 ( 1.575 -2.167 -0.720) 2.774 4.316 ( 8.324 -1.554 -11.676) 14.423 4.792 ( 4.143 0.852 -5.729) 7.121 5.082 ( 6.057 2.436 16.171) 17.439 5.420 ( 3.121 1.327 -2.205) 4.045 5.670 ( -0.062 4.383 12.777) 13.507 6.825 ( -15.962 15.001 -1.979) 21.994 7.543 ( 6.196 -2.433 4.698) 8.147 8.006 ( -8.140 -0.035 -17.778) 19.553 8.355 ( 9.281 3.703 -2.255) 10.243 8.759 ( 8.223 -12.029 4.616) 15.284 19.357 ( 1.097 0.687 1.755) 2.181 19.532 ( 2.094 -3.493 -1.035) 4.202 38.525 ( -0.679 1.412 0.155) 1.574 62.872 ( -35.108 40.248 -15.849) 55.711 ======================= Grid point 343 (140/322) ======================= q-point: (-0.08 -0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.486 ( -11.199 -0.000 18.073) 21.261 0.518 ( -14.005 -0.000 16.075) 21.320 1.227 ( -42.899 -0.000 29.184) 51.884 2.631 ( -0.006 -0.000 -4.453) 4.453 2.734 ( -4.428 -0.000 -6.836) 8.144 3.926 ( 2.458 0.000 1.211) 2.741 4.173 ( -0.101 -0.000 -0.217) 0.239 4.372 ( 13.679 0.000 -9.892) 16.881 4.825 ( 4.103 0.000 -6.859) 7.992 5.135 ( -2.179 -0.000 10.626) 10.847 5.489 ( 9.805 0.000 0.071) 9.806 5.786 ( 8.998 0.000 18.075) 20.191 7.055 ( -2.266 -0.000 -0.000) 2.266 7.171 ( -39.783 -0.000 -26.668) 47.895 8.007 ( 5.458 0.000 -3.747) 6.620 8.536 ( 2.281 0.000 -0.012) 2.281 8.647 ( 14.954 0.000 10.213) 18.109 19.388 ( 4.075 0.000 4.018) 5.723 19.491 ( -0.003 -0.000 -0.049) 0.049 38.533 ( -0.996 -0.000 -0.456) 1.096 63.032 ( -50.612 -0.000 -52.102) 72.638 ======================= Grid point 344 (141/322) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( -0.242 -0.000 16.646) 16.648 1.099 ( 4.985 0.000 24.640) 25.140 1.677 ( -4.079 -0.000 39.599) 39.809 2.498 ( 0.305 0.000 -6.941) 6.948 2.513 ( 2.792 0.000 -10.812) 11.167 3.989 ( 0.385 0.000 1.995) 2.032 4.025 ( 1.330 0.000 -31.251) 31.280 4.153 ( -0.548 -0.000 -0.886) 1.042 4.950 ( 14.923 0.000 -0.325) 14.927 4.979 ( -17.694 -0.000 -0.449) 17.700 5.624 ( -0.788 -0.000 0.358) 0.865 6.278 ( -19.945 -0.000 9.817) 22.230 6.425 ( 18.685 0.000 0.927) 18.708 7.036 ( -0.024 -0.000 -0.022) 0.033 8.089 ( 1.175 0.000 0.215) 1.195 8.554 ( 0.015 0.000 -0.010) 0.018 8.868 ( 2.700 0.000 -1.218) 2.962 19.489 ( -0.040 -0.000 -0.100) 0.107 19.521 ( 2.963 0.000 0.001) 2.963 38.528 ( 0.394 0.000 -0.025) 0.395 61.633 ( -24.592 -0.000 -0.089) 24.592 ======================= Grid point 345 (142/322) ======================= q-point: ( 0.08 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( 1.700 -8.962 18.159) 20.322 1.241 ( 8.387 -7.852 22.164) 24.965 1.835 ( 9.105 -11.227 26.238) 29.956 2.478 ( 3.699 2.594 -10.576) 11.501 2.638 ( 1.170 -11.107 -3.468) 11.694 3.920 ( 1.981 3.350 -18.565) 18.968 4.075 ( -4.150 -4.985 -9.291) 11.331 4.157 ( 0.144 -0.967 -0.552) 1.123 4.825 ( -18.576 -0.448 -0.853) 18.601 5.078 ( 13.965 0.080 -0.102) 13.966 5.570 ( -8.671 1.801 1.992) 9.078 6.004 ( -3.758 13.576 13.263) 19.348 6.481 ( 14.571 6.096 -0.847) 15.818 7.267 ( -1.564 -13.144 -1.630) 13.337 8.131 ( -1.208 -5.444 -0.820) 5.637 8.429 ( 1.455 10.332 -2.580) 10.748 8.939 ( -1.504 -5.280 -0.598) 5.523 19.459 ( -0.109 2.520 1.494) 2.931 19.557 ( 0.340 -1.839 -2.269) 2.940 38.526 ( -0.383 0.233 -0.011) 0.448 61.513 ( 2.385 2.986 3.906) 5.465 ======================= Grid point 346 (143/322) ======================= q-point: ( 0.15 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( 7.550 -12.442 15.705) 21.411 1.549 ( 13.177 -12.296 17.389) 25.044 2.239 ( 10.588 -19.776 5.234) 23.034 2.437 ( 5.965 4.625 -9.517) 12.147 2.877 ( 0.949 -13.410 1.086) 13.487 3.866 ( 0.987 1.495 -18.678) 18.764 4.124 ( -5.176 -5.843 -0.461) 7.820 4.187 ( 0.056 -2.007 -0.797) 2.161 4.700 ( -14.781 -0.744 -1.855) 14.915 5.156 ( 7.594 1.644 0.762) 7.807 5.464 ( -7.197 1.517 3.860) 8.306 5.809 ( 2.815 9.933 8.452) 13.343 6.495 ( 10.350 3.064 -0.619) 10.811 7.301 ( -10.387 3.038 3.628) 11.414 8.170 ( 5.363 7.180 1.020) 9.020 8.354 ( -0.230 -5.571 -12.266) 13.474 9.012 ( -3.900 -5.144 2.453) 6.906 19.407 ( -0.729 2.860 1.562) 3.339 19.585 ( -0.735 -1.789 -2.311) 3.014 38.514 ( -1.296 0.342 0.112) 1.345 61.534 ( 17.197 5.074 1.406) 17.985 ======================= Grid point 347 (144/322) ======================= q-point: ( 0.23 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( 12.881 -17.352 7.405) 22.844 1.898 ( 13.585 -11.687 14.599) 23.114 2.383 ( 6.317 5.191 -8.628) 11.887 2.626 ( 6.939 -12.486 -16.092) 21.517 3.152 ( 3.016 -15.154 9.280) 18.024 3.848 ( -0.839 -2.172 -12.537) 12.752 4.173 ( -1.460 -0.413 3.643) 3.947 4.264 ( -3.344 -9.511 1.490) 10.191 4.611 ( -10.358 -0.772 -3.050) 10.825 5.125 ( -1.179 4.215 4.199) 6.066 5.444 ( 0.451 -1.336 0.333) 1.449 5.675 ( 0.987 7.723 4.526) 9.005 6.535 ( 9.299 1.240 -0.221) 9.384 7.081 ( -12.783 9.528 4.408) 16.541 8.065 ( 8.075 8.804 -1.192) 12.005 8.440 ( -2.871 -4.261 -11.219) 12.340 9.077 ( -4.638 -5.562 4.409) 8.478 19.353 ( -0.810 2.440 0.901) 2.724 19.605 ( -0.972 -1.438 -1.643) 2.390 38.497 ( -1.597 0.149 0.198) 1.616 61.579 ( 19.588 6.556 -0.048) 20.656 ======================= Grid point 348 (145/322) ======================= q-point: ( 0.31 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.016 ( 13.907 -18.309 -0.618) 23.000 2.208 ( 11.237 -9.357 12.612) 19.310 2.326 ( 7.928 6.317 -5.669) 11.615 2.766 ( 2.433 -3.542 -24.520) 24.894 3.431 ( 1.005 -9.650 4.210) 10.576 3.950 ( -0.558 -10.693 0.959) 10.750 4.143 ( -1.384 1.535 0.773) 2.207 4.450 ( -1.364 -11.391 6.750) 13.311 4.555 ( -6.395 -1.136 -4.183) 7.726 5.034 ( -2.540 4.038 6.085) 7.732 5.471 ( 0.014 0.016 -1.712) 1.713 5.554 ( -0.911 5.303 2.019) 5.747 6.592 ( 8.289 0.503 -0.152) 8.306 6.808 ( -10.592 9.744 2.497) 14.607 7.984 ( 7.823 6.940 -1.054) 10.510 8.424 ( -4.970 0.925 -8.028) 9.487 9.149 ( -4.036 -5.511 3.422) 7.640 19.310 ( -0.607 1.757 0.360) 1.893 19.619 ( -0.842 -0.996 -1.123) 1.721 38.486 ( -1.319 -0.237 0.197) 1.354 61.609 ( 16.546 5.924 -0.325) 17.578 ======================= Grid point 349 (146/322) ======================= q-point: ( 0.38 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.221 ( 6.769 7.480 -10.496) 14.558 2.417 ( 7.710 -6.915 5.475) 11.715 2.459 ( 10.202 -10.614 2.088) 14.869 2.820 ( 2.466 -5.585 -18.575) 19.553 3.539 ( -0.371 -4.056 -0.278) 4.083 4.005 ( -7.833 1.548 0.468) 7.998 4.255 ( 2.886 -9.431 4.744) 10.945 4.540 ( -1.954 -3.056 -1.823) 4.059 4.659 ( 1.829 -8.964 6.574) 11.265 4.971 ( 0.032 2.061 6.525) 6.843 5.386 ( -2.748 5.917 -1.186) 6.631 5.511 ( -3.078 -0.065 0.206) 3.085 6.570 ( -3.738 7.449 0.315) 8.340 6.657 ( 3.207 -0.132 0.121) 3.212 7.934 ( 6.447 4.723 -0.584) 8.014 8.328 ( -5.690 3.517 -4.990) 8.345 9.215 ( -2.540 -4.261 1.330) 5.136 19.281 ( -0.350 1.034 0.072) 1.094 19.626 ( -0.535 -0.538 -0.812) 1.111 38.485 ( -0.783 -0.511 0.136) 0.944 61.631 ( 10.950 3.662 -0.225) 11.549 ======================= Grid point 350 (147/322) ======================= q-point: ( 0.46 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.088 ( 3.563 9.637 -9.317) 13.870 2.500 ( 0.633 1.346 1.856) 2.379 2.630 ( 3.632 -2.709 -6.514) 7.935 3.022 ( 4.687 -12.361 -8.167) 15.539 3.625 ( 2.137 -4.861 3.632) 6.433 3.899 ( -7.693 1.960 -4.687) 9.219 4.355 ( -0.291 -1.565 -0.066) 1.593 4.621 ( 1.678 -3.340 5.086) 6.312 4.795 ( 2.858 -2.530 5.122) 6.388 5.004 ( 5.076 -2.759 6.514) 8.707 5.255 ( -2.898 5.252 -3.122) 6.762 5.468 ( -6.702 0.554 2.717) 7.253 6.447 ( -1.022 3.210 -0.396) 3.392 6.686 ( 1.696 -0.217 -0.291) 1.735 7.912 ( 2.505 1.751 -0.344) 3.076 8.216 ( -3.086 3.717 -3.111) 5.746 9.265 ( -0.531 -2.407 -0.201) 2.473 19.267 ( -0.120 0.350 -0.038) 0.371 19.628 ( -0.140 -0.085 -0.654) 0.674 38.490 ( -0.284 -0.442 0.059) 0.529 61.651 ( 3.924 0.616 -0.175) 3.976 ======================= Grid point 351 (148/322) ======================= q-point: (-0.46 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( -0.862 8.406 -7.532) 11.319 2.397 ( -3.711 8.191 -2.168) 9.250 2.656 ( -0.941 -0.037 -2.432) 2.608 3.216 ( 0.697 -6.707 -9.797) 11.893 3.700 ( -2.593 0.479 2.625) 3.721 3.863 ( -0.874 -4.945 -3.266) 5.990 4.376 ( 3.766 -0.319 -1.913) 4.236 4.637 ( 1.376 3.967 7.516) 8.609 4.825 ( 2.395 2.565 4.316) 5.563 5.085 ( 1.982 -0.228 2.975) 3.582 5.184 ( 2.005 0.049 -1.973) 2.813 5.412 ( -6.503 -0.833 4.230) 7.802 6.444 ( 3.181 -2.024 -0.364) 3.788 6.687 ( -1.761 -0.048 -0.289) 1.785 7.899 ( -6.044 -1.642 -0.279) 6.269 8.159 ( 4.934 2.605 -2.379) 6.065 9.291 ( 1.282 -0.153 -0.604) 1.426 19.266 ( 0.083 -0.280 -0.035) 0.294 19.625 ( 0.309 0.335 -0.624) 0.772 38.494 ( 0.074 -0.108 0.013) 0.132 61.671 ( -3.670 -2.748 -0.388) 4.601 ======================= Grid point 352 (149/322) ======================= q-point: (-0.38 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( -5.586 5.890 -3.372) 8.790 2.150 ( -6.662 13.671 -0.635) 15.222 2.622 ( -4.164 0.901 -2.958) 5.187 3.243 ( -2.901 1.524 -12.541) 12.962 3.602 ( -4.218 5.714 -3.743) 8.028 3.981 ( 0.815 -5.650 3.909) 6.919 4.431 ( 7.238 -0.139 -1.178) 7.334 4.504 ( -1.666 10.911 3.301) 11.521 4.753 ( 0.833 5.408 4.673) 7.195 5.126 ( 0.343 -3.475 1.418) 3.769 5.211 ( 5.350 1.408 1.906) 5.852 5.433 ( -3.189 -5.058 1.869) 6.265 6.572 ( 5.420 -7.443 0.251) 9.210 6.666 ( -2.525 -0.715 0.155) 2.629 7.874 ( -12.336 -3.877 -0.400) 12.937 8.190 ( 11.262 1.481 -2.622) 11.658 9.285 ( 2.260 2.517 0.003) 3.382 19.278 ( 0.292 -0.862 0.092) 0.915 19.619 ( 0.785 0.718 -0.727) 1.289 38.495 ( 0.350 0.173 0.027) 0.391 61.694 ( -10.990 -6.361 -0.927) 12.732 ======================= Grid point 353 (150/322) ======================= q-point: (-0.31 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( -9.940 4.159 2.862) 11.149 1.813 ( -7.653 16.505 2.983) 18.436 2.560 ( -5.857 0.623 -6.053) 8.445 3.073 ( -5.863 12.415 -9.095) 16.469 3.423 ( -3.781 9.860 -3.436) 11.105 4.069 ( 0.670 -2.562 1.947) 3.287 4.248 ( -3.971 11.043 -1.745) 11.865 4.489 ( 6.159 2.468 1.396) 6.780 4.696 ( 4.206 2.683 -0.850) 5.060 5.182 ( 0.490 -1.707 8.019) 8.213 5.251 ( 5.485 -1.183 -1.969) 5.946 5.519 ( -3.401 -6.490 1.813) 7.548 6.600 ( -8.696 -1.184 -0.231) 8.779 6.883 ( 13.717 -13.953 2.172) 19.687 7.843 ( -13.838 -4.094 -1.053) 14.469 8.256 ( 12.730 1.909 -3.664) 13.383 9.234 ( 2.407 5.199 1.046) 5.824 19.302 ( 0.546 -1.400 0.430) 1.563 19.610 ( 1.224 1.129 -0.989) 1.936 38.496 ( 0.583 0.146 0.090) 0.608 61.728 ( -17.539 -10.210 -1.821) 20.376 ======================= Grid point 354 (151/322) ======================= q-point: (-0.23 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( -8.486 10.593 9.309) 16.459 1.480 ( -10.283 10.100 9.541) 17.285 2.499 ( -6.734 -0.205 -10.508) 12.482 2.684 ( -8.292 22.126 2.960) 23.813 3.186 ( -3.182 12.540 -3.790) 13.481 4.005 ( -0.877 6.545 -13.040) 14.617 4.156 ( -0.196 -0.861 3.981) 4.078 4.428 ( 0.164 6.251 0.112) 6.254 4.719 ( 10.009 1.661 -5.071) 11.343 5.230 ( -3.659 -3.201 5.853) 7.608 5.327 ( 8.565 -1.689 0.955) 8.782 5.613 ( -5.155 -7.476 4.960) 10.347 6.549 ( -10.458 -1.884 -0.368) 10.633 7.307 ( 16.021 -18.147 4.169) 24.564 7.786 ( -13.367 -1.332 -2.822) 13.726 8.300 ( 11.476 3.538 -5.025) 13.018 9.141 ( 2.425 7.041 1.752) 7.650 19.338 ( 0.882 -1.871 1.092) 2.339 19.595 ( 1.551 1.670 -1.424) 2.687 38.501 ( 0.694 -0.141 0.135) 0.720 61.780 ( -23.575 -13.844 -3.293) 27.537 ======================= Grid point 355 (152/322) ======================= q-point: (-0.15 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( -2.204 12.293 17.382) 21.403 1.265 ( -11.481 7.988 15.271) 20.708 2.173 ( -13.104 21.128 12.855) 27.988 2.479 ( -3.318 -1.079 -10.186) 10.766 2.911 ( -1.854 14.696 -3.418) 15.202 3.907 ( 1.304 2.144 -15.776) 15.975 4.168 ( -0.021 0.144 1.357) 1.364 4.294 ( -1.414 7.070 -5.875) 9.301 4.767 ( 12.528 2.348 -3.886) 13.325 5.218 ( -11.198 -1.617 1.064) 11.364 5.464 ( 12.435 -2.728 3.193) 13.125 5.744 ( -5.498 -11.746 10.362) 16.600 6.502 ( -12.116 -2.887 -0.729) 12.477 7.638 ( -12.299 5.918 -1.893) 13.779 7.769 ( 17.060 -15.009 2.094) 22.819 8.309 ( 6.769 1.841 -5.228) 8.749 9.030 ( 3.063 7.560 1.412) 8.278 19.386 ( 1.316 -2.244 2.011) 3.288 19.570 ( 1.772 2.314 -1.892) 3.475 38.511 ( 0.609 -0.365 0.096) 0.717 61.832 ( -30.019 -15.407 -5.739) 34.226 ======================= Grid point 356 (153/322) ======================= q-point: (-0.08 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( -5.527 11.382 17.511) 21.604 1.092 ( 2.547 6.582 23.083) 24.138 1.794 ( -13.690 9.781 30.062) 34.450 2.480 ( -0.646 -1.835 -11.652) 11.813 2.643 ( -0.313 12.003 -4.805) 12.933 3.916 ( 3.014 -2.856 -13.456) 14.082 4.138 ( 0.494 6.055 -11.538) 13.040 4.167 ( -1.325 1.378 -1.841) 2.654 4.836 ( 15.111 1.534 -1.580) 15.271 5.122 ( -16.429 -0.305 -0.163) 16.433 5.586 ( 7.268 -1.217 0.994) 7.435 6.016 ( 1.647 -18.377 13.566) 22.901 6.452 ( -14.784 -3.140 -0.623) 15.127 7.326 ( -5.884 18.818 -4.258) 20.171 8.053 ( 10.235 -1.660 1.504) 10.477 8.408 ( 2.229 -10.211 -1.494) 10.558 8.924 ( 3.831 7.102 0.181) 8.071 19.444 ( 1.574 -2.504 2.211) 3.692 19.537 ( 2.110 2.628 -1.673) 3.763 38.522 ( 0.497 -0.258 0.012) 0.560 61.807 ( -35.180 -10.200 -7.056) 37.302 ======================= Grid point 358 (154/322) ======================= q-point: ( 0.08 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( 7.446 0.000 14.922) 16.676 1.249 ( 7.288 0.000 25.472) 26.494 1.893 ( 18.451 0.000 24.865) 30.963 2.489 ( 0.616 0.000 -7.025) 7.052 2.582 ( 8.364 0.000 -5.542) 10.033 3.961 ( 0.813 0.000 -29.195) 29.207 3.973 ( -2.864 -0.000 1.826) 3.397 4.147 ( 0.167 0.000 -0.704) 0.724 4.675 ( -16.553 -0.000 -1.513) 16.622 5.186 ( 10.905 0.000 1.191) 10.969 5.505 ( -11.326 -0.000 2.902) 11.692 6.087 ( -6.217 -0.000 11.976) 13.494 6.819 ( 23.917 0.000 -6.595) 24.809 7.054 ( 2.238 0.000 -0.011) 2.238 8.012 ( -10.429 -0.000 -0.223) 10.432 8.536 ( -2.251 -0.000 -0.009) 2.251 8.869 ( -0.555 -0.000 -1.788) 1.872 19.488 ( -0.045 -0.000 -0.082) 0.094 19.527 ( -1.889 -0.000 -0.615) 1.987 38.522 ( -1.279 -0.000 0.167) 1.289 61.647 ( 22.577 0.000 1.323) 22.616 ======================= Grid point 359 (155/322) ======================= q-point: ( 0.15 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( 9.840 -8.537 15.293) 20.089 1.442 ( 9.829 -10.599 19.916) 24.609 2.133 ( 20.967 -6.172 7.732) 23.184 2.536 ( 5.101 -1.207 -8.617) 10.086 2.693 ( 7.244 -6.791 3.671) 10.586 3.906 ( 2.785 2.905 -20.198) 20.595 3.987 ( -4.992 -3.545 -2.601) 6.653 4.162 ( 0.439 -1.296 0.024) 1.368 4.564 ( -13.189 -1.227 -2.950) 13.571 5.227 ( -0.048 1.414 2.948) 3.270 5.432 ( -3.725 0.349 3.053) 4.829 5.992 ( -2.246 7.253 10.541) 12.991 6.736 ( 15.430 12.496 -3.231) 20.116 7.237 ( -3.156 -4.491 0.918) 5.565 8.028 ( -9.373 -11.075 -4.461) 15.179 8.443 ( 0.571 6.771 -2.503) 7.241 8.905 ( -1.799 -3.668 0.118) 4.087 19.450 ( -1.426 2.609 1.066) 3.158 19.538 ( -1.697 -2.103 -1.432) 3.058 38.507 ( -1.766 0.260 0.365) 1.822 61.828 ( 31.212 5.122 -2.662) 31.742 ======================= Grid point 360 (156/322) ======================= q-point: ( 0.23 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( 13.733 -13.496 11.089) 22.219 1.787 ( 10.971 -14.341 14.416) 23.105 2.416 ( 13.223 -6.882 -13.788) 20.305 2.585 ( 12.147 0.152 -4.994) 13.135 2.943 ( 6.821 -12.514 10.352) 17.615 3.850 ( 2.796 3.040 -16.158) 16.678 4.040 ( -5.437 -7.529 2.307) 9.570 4.186 ( -0.402 -0.795 0.620) 1.085 4.501 ( -9.397 -2.046 -3.678) 10.297 5.150 ( -9.368 2.062 4.827) 10.738 5.445 ( 4.200 -0.144 0.694) 4.259 5.836 ( -1.606 8.866 7.512) 11.731 6.680 ( 12.036 5.993 -1.552) 13.535 7.137 ( -11.199 6.498 4.220) 13.618 8.141 ( -8.100 -5.469 -2.603) 10.114 8.368 ( 4.918 1.466 -9.538) 10.831 8.956 ( -3.443 -4.198 3.019) 6.212 19.391 ( -1.624 2.542 1.006) 3.180 19.562 ( -1.403 -2.029 -1.364) 2.819 38.488 ( -1.677 0.296 0.438) 1.758 61.930 ( 29.160 9.937 -2.885) 30.942 ======================= Grid point 361 (157/322) ======================= q-point: ( 0.31 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( 15.039 -16.721 3.903) 22.825 2.133 ( 11.020 -11.741 12.374) 20.308 2.503 ( 11.996 3.606 -9.531) 15.740 2.723 ( 9.644 -3.160 -19.188) 21.707 3.247 ( 5.291 -12.613 9.199) 16.483 3.836 ( 2.624 -1.840 -6.268) 7.040 4.146 ( -2.768 -1.764 4.108) 5.258 4.219 ( -2.841 -9.680 2.147) 10.314 4.473 ( -6.156 -2.024 -3.549) 7.388 5.046 ( -9.206 1.375 5.757) 10.944 5.475 ( 2.652 0.345 -1.670) 3.153 5.671 ( -2.665 8.005 4.775) 9.695 6.688 ( 9.249 2.866 -0.573) 9.700 6.902 ( -10.414 9.078 2.974) 14.132 8.091 ( -6.095 2.301 -0.259) 6.520 8.403 ( 3.582 -0.436 -10.357) 10.968 9.017 ( -4.022 -5.445 3.747) 7.736 19.338 ( -1.225 2.037 0.534) 2.436 19.584 ( -1.153 -1.704 -1.027) 2.299 38.474 ( -1.179 0.008 0.401) 1.246 61.936 ( 23.625 11.893 -1.818) 26.512 ======================= Grid point 362 (158/322) ======================= q-point: ( 0.38 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.220 ( 11.512 -14.378 -4.590) 18.982 2.404 ( 9.642 -7.278 11.156) 16.443 2.514 ( 16.696 6.571 -2.385) 18.100 2.777 ( 5.727 -0.184 -22.968) 23.672 3.442 ( 0.051 -6.318 0.292) 6.325 3.930 ( -3.939 -4.097 4.823) 7.454 4.150 ( 2.428 -3.662 0.967) 4.499 4.443 ( -2.058 -11.278 6.360) 13.110 4.477 ( -1.481 -5.668 -3.164) 6.659 4.978 ( -6.142 -0.089 6.237) 8.754 5.447 ( -2.674 3.420 -2.636) 5.079 5.530 ( -2.453 4.910 2.607) 6.076 6.675 ( -6.439 8.181 1.271) 10.488 6.710 ( 6.114 1.798 -0.333) 6.382 7.992 ( -7.828 2.246 -0.307) 8.150 8.391 ( 4.647 3.990 -6.490) 8.923 9.098 ( -3.174 -6.102 1.978) 7.157 19.299 ( -0.769 1.412 0.186) 1.618 19.603 ( -0.804 -1.292 -0.768) 1.705 38.471 ( -0.507 -0.404 0.296) 0.712 61.883 ( 17.007 11.388 -0.901) 20.487 ======================= Grid point 363 (159/322) ======================= q-point: ( 0.46 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.348 ( 10.775 9.033 -8.059) 16.206 2.544 ( 7.475 2.202 -0.742) 7.828 2.603 ( 8.091 -4.975 -2.415) 9.800 2.862 ( 6.639 -7.784 -9.350) 13.860 3.546 ( 1.418 -5.659 1.331) 5.984 3.870 ( -8.661 2.309 -0.565) 8.981 4.285 ( -0.076 -5.628 3.074) 6.413 4.535 ( 0.566 -6.371 1.368) 6.541 4.708 ( 2.673 -10.339 4.778) 11.699 4.983 ( -0.337 -3.383 5.904) 6.813 5.319 ( -5.140 5.522 -3.049) 8.137 5.444 ( -5.003 2.688 2.275) 6.118 6.517 ( -1.720 5.390 0.075) 5.658 6.715 ( 2.499 1.555 -0.247) 2.953 7.885 ( -11.559 0.865 -0.370) 11.597 8.338 ( 7.621 6.074 -3.603) 10.391 9.186 ( -1.370 -5.316 0.130) 5.491 19.275 ( -0.400 0.774 0.013) 0.871 19.616 ( -0.393 -0.843 -0.628) 1.123 38.479 ( 0.082 -0.601 0.167) 0.629 61.800 ( 9.786 9.397 -0.349) 13.572 ======================= Grid point 364 (160/322) ======================= q-point: ( 0.54 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.181 ( 10.127 15.741 -8.245) 20.453 2.505 ( 0.548 5.316 -3.311) 6.287 2.673 ( 2.862 1.031 -3.904) 4.949 3.072 ( 3.473 -9.013 -6.208) 11.482 3.666 ( 0.143 -3.689 5.028) 6.238 3.781 ( -3.736 -1.269 -4.555) 6.027 4.359 ( 0.774 -3.284 0.889) 3.489 4.652 ( 0.128 -4.122 5.835) 7.145 4.845 ( 1.850 -2.478 3.749) 4.860 5.105 ( 5.345 -3.865 4.387) 7.922 5.179 ( -5.841 2.819 -4.391) 7.832 5.359 ( -6.528 1.086 3.882) 7.672 6.459 ( 2.317 1.127 -0.401) 2.607 6.692 ( -0.626 1.647 -0.102) 1.765 7.779 ( -14.425 -0.946 -0.337) 14.460 8.302 ( 10.212 5.076 -2.525) 11.680 9.264 ( 0.436 -3.526 -0.581) 3.600 19.264 ( -0.132 0.151 -0.045) 0.206 19.626 ( 0.038 -0.397 -0.601) 0.721 38.491 ( 0.448 -0.431 0.058) 0.625 61.702 ( 2.372 6.582 -0.168) 6.998 ======================= Grid point 365 (161/322) ======================= q-point: (-0.38 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.954 ( 6.652 15.173 -6.548) 17.814 2.347 ( -1.712 11.231 -1.593) 11.471 2.629 ( -2.245 2.981 -3.119) 4.863 3.188 ( -1.049 -3.527 -11.574) 12.145 3.637 ( -3.489 2.005 -2.892) 4.956 3.886 ( 2.505 -6.465 4.030) 8.020 4.441 ( 3.954 -3.402 0.978) 5.307 4.663 ( -0.061 5.170 6.254) 8.114 4.828 ( -4.327 3.556 4.451) 7.154 5.071 ( -2.007 -0.692 -3.055) 3.720 5.248 ( 3.563 -2.555 3.638) 5.697 5.339 ( -2.025 -2.721 1.097) 3.565 6.508 ( 3.179 -3.400 -0.289) 4.663 6.657 ( -0.115 0.802 0.420) 0.912 7.697 ( -14.703 -3.083 -0.321) 15.027 8.314 ( 10.964 2.604 -2.726) 11.594 9.313 ( 1.375 -0.969 -0.105) 1.685 19.267 ( 0.065 -0.464 -0.013) 0.469 19.630 ( 0.464 0.012 -0.693) 0.834 38.501 ( 0.636 -0.069 0.001) 0.640 61.603 ( -4.492 3.206 -0.289) 5.526 ======================= Grid point 366 (162/322) ======================= q-point: (-0.31 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( 3.224 12.864 -2.480) 13.492 2.078 ( -2.442 15.898 1.889) 16.195 2.538 ( -5.444 2.703 -4.861) 7.783 3.156 ( -3.696 3.132 -15.782) 16.509 3.549 ( -1.533 5.928 -1.837) 6.393 4.011 ( 1.643 -4.657 4.668) 6.795 4.439 ( -4.819 12.887 2.399) 13.966 4.541 ( 3.427 -0.714 1.941) 4.003 4.762 ( 0.075 1.574 3.760) 4.076 5.101 ( -3.810 -3.808 -0.745) 5.438 5.302 ( 4.627 -0.368 3.363) 5.732 5.404 ( -0.055 -4.174 -0.554) 4.211 6.531 ( -6.170 -0.098 0.067) 6.172 6.774 ( 11.107 -9.102 1.605) 14.449 7.656 ( -12.929 -4.419 -0.750) 13.684 8.368 ( 10.408 0.866 -3.706) 11.082 9.315 ( 1.180 2.040 1.082) 2.593 19.282 ( 0.234 -1.092 0.161) 1.128 19.631 ( 0.837 0.397 -0.929) 1.311 38.505 ( 0.752 0.170 0.002) 0.771 61.519 ( -9.961 -0.557 -0.515) 9.990 ======================= Grid point 367 (163/322) ======================= q-point: (-0.23 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( 0.004 11.061 3.703) 11.664 1.762 ( -0.397 17.394 7.256) 18.851 2.444 ( -6.495 1.300 -8.314) 10.630 2.971 ( -3.850 12.620 -12.128) 17.922 3.374 ( -1.968 11.393 1.068) 11.611 4.075 ( -0.379 0.665 -2.364) 2.485 4.185 ( -2.917 7.282 -0.391) 7.854 4.521 ( -1.768 4.694 4.388) 6.664 4.795 ( 7.365 -1.265 -1.752) 7.675 5.122 ( -7.700 -3.353 0.130) 8.400 5.364 ( 6.376 -1.563 3.686) 7.529 5.475 ( -1.800 -4.393 1.226) 4.904 6.472 ( -6.500 0.430 0.403) 6.527 7.105 ( 11.111 -16.019 4.059) 19.913 7.642 ( -9.013 -3.841 -2.410) 10.089 8.425 ( 9.179 1.354 -5.345) 10.708 9.261 ( 0.296 4.687 2.259) 5.211 19.311 ( 0.394 -1.730 0.580) 1.867 19.626 ( 1.085 0.838 -1.354) 1.927 38.508 ( 0.803 0.127 0.024) 0.813 61.467 ( -13.433 -4.196 -0.530) 14.083 ======================= Grid point 368 (164/322) ======================= q-point: (-0.15 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( -3.409 10.823 11.011) 15.812 1.488 ( 4.576 15.197 14.505) 21.501 2.374 ( -4.402 1.115 -10.996) 11.897 2.610 ( -2.528 21.520 0.460) 21.673 3.137 ( -2.151 12.476 -1.383) 12.735 3.957 ( -1.156 5.053 -14.508) 15.406 4.166 ( 0.248 -0.632 3.041) 3.115 4.388 ( -3.899 6.846 -0.489) 7.894 4.880 ( 9.179 -0.501 -2.323) 9.482 5.091 ( -11.445 -1.598 -1.377) 11.638 5.487 ( 8.071 -5.258 6.399) 11.564 5.537 ( -4.759 -5.076 3.949) 8.000 6.421 ( -4.530 0.206 0.471) 4.559 7.460 ( -6.452 -13.798 8.724) 17.553 7.685 ( 9.124 -6.419 -6.260) 12.792 8.436 ( 6.945 4.189 -7.367) 10.957 9.163 ( -0.505 5.937 2.556) 6.483 19.353 ( 0.505 -2.344 1.291) 2.724 19.613 ( 1.155 1.399 -1.999) 2.699 38.514 ( 0.691 -0.091 0.016) 0.697 61.454 ( -14.427 -6.567 0.072) 15.852 ======================= Grid point 369 (165/322) ======================= q-point: (-0.08 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( -3.622 10.057 17.807) 20.769 1.321 ( 8.771 11.488 19.763) 24.485 2.108 ( 1.303 23.183 12.194) 26.227 2.425 ( -0.338 -1.819 -10.508) 10.670 2.882 ( -0.912 13.874 -2.538) 14.134 3.891 ( 1.324 0.139 -17.661) 17.711 4.169 ( -0.383 0.496 1.246) 1.395 4.228 ( -4.127 6.455 -6.269) 9.899 4.944 ( -2.747 -1.446 -0.542) 3.151 5.007 ( -1.578 1.819 -2.295) 3.327 5.573 ( -3.851 -2.893 1.686) 5.103 5.717 ( 3.328 -12.967 12.548) 18.349 6.399 ( 0.234 0.027 0.427) 0.488 7.458 ( -10.362 2.140 1.338) 10.665 8.015 ( 12.738 -13.114 1.414) 18.337 8.369 ( 2.496 5.185 -8.757) 10.478 9.051 ( -1.009 5.838 1.300) 6.066 19.406 ( 0.402 -2.791 1.985) 3.449 19.589 ( 1.027 1.911 -2.639) 3.417 38.521 ( 0.321 -0.258 -0.027) 0.413 61.469 ( -11.016 -6.066 1.807) 12.705 ======================= Grid point 372 (166/322) ======================= q-point: ( 0.15 0.15 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( 11.177 0.000 12.597) 16.841 1.440 ( 9.405 0.000 20.704) 22.740 2.294 ( 25.578 0.000 0.078) 25.579 2.487 ( 1.117 0.000 -7.209) 7.295 2.761 ( 13.884 0.000 7.006) 15.551 3.910 ( -5.222 -0.000 1.404) 5.407 3.952 ( 5.829 0.000 -20.844) 21.643 4.151 ( 0.328 0.000 -0.249) 0.412 4.450 ( -10.798 -0.000 -4.722) 11.785 5.185 ( -12.900 -0.000 4.182) 13.561 5.451 ( 5.442 0.000 3.400) 6.417 6.042 ( -4.279 -0.000 10.355) 11.204 7.078 ( 8.862 0.000 -5.027) 10.188 7.106 ( 4.194 0.000 0.010) 4.194 7.799 ( -13.565 -0.000 -3.399) 13.985 8.484 ( -4.225 -0.000 -0.003) 4.225 8.870 ( 1.246 0.000 -1.817) 2.203 19.475 ( -3.971 -0.000 0.118) 3.973 19.487 ( -0.037 -0.000 -0.052) 0.063 38.496 ( -1.675 -0.000 0.543) 1.761 62.154 ( 36.125 0.000 -7.457) 36.887 ======================= Grid point 373 (167/322) ======================= q-point: ( 0.23 0.15 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( 13.200 -10.035 11.338) 20.087 1.632 ( 8.948 -10.237 14.278) 19.716 2.466 ( 18.145 -1.291 -13.390) 22.587 2.590 ( 6.273 -6.288 -9.087) 12.707 2.912 ( 16.271 -2.639 15.858) 22.873 3.895 ( -5.455 -3.223 1.455) 6.501 3.948 ( 7.298 3.995 -15.210) 17.337 4.168 ( 0.019 -1.148 0.590) 1.291 4.388 ( -7.645 -1.944 -5.113) 9.400 5.069 ( -15.465 0.143 4.337) 16.062 5.498 ( 5.938 0.650 2.974) 6.673 5.959 ( -5.019 5.782 9.058) 11.860 6.937 ( 10.574 11.252 -2.937) 15.718 7.146 ( -8.802 3.007 3.534) 9.950 7.857 ( -9.414 -13.370 -6.730) 17.682 8.428 ( -1.732 1.847 -2.128) 3.308 8.893 ( 0.243 -1.399 -0.326) 1.456 19.418 ( -2.768 2.079 0.643) 3.521 19.512 ( -1.023 -2.007 -0.554) 2.320 38.482 ( -1.237 0.281 0.582) 1.396 62.350 ( 32.432 8.021 -7.178) 34.172 ======================= Grid point 374 (168/322) ======================= q-point: ( 0.31 0.15 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( 15.541 -13.716 6.569) 21.744 1.958 ( 7.328 -15.815 10.091) 20.140 2.610 ( 14.388 -1.246 -19.729) 24.450 2.735 ( 9.273 -4.286 -7.548) 12.701 3.141 ( 12.424 -6.734 12.377) 18.786 3.905 ( 7.267 4.786 -8.185) 11.946 3.965 ( -3.585 -8.614 3.859) 10.096 4.172 ( -1.554 0.298 0.546) 1.674 4.378 ( -5.072 -2.710 -3.322) 6.641 4.958 ( -14.395 -0.759 4.728) 15.170 5.521 ( 3.740 1.508 0.412) 4.054 5.796 ( -5.375 7.964 6.961) 11.865 6.852 ( 9.614 7.010 -1.632) 12.009 6.967 ( -10.797 6.848 3.234) 13.188 7.962 ( -12.260 -6.664 -3.319) 14.343 8.425 ( 3.938 -1.229 -6.416) 7.628 8.919 ( -1.926 -2.388 1.998) 3.661 19.362 ( -2.022 1.907 0.504) 2.825 19.540 ( -1.015 -2.001 -0.642) 2.334 38.469 ( -0.653 0.287 0.541) 0.896 62.377 ( 26.287 13.569 -4.518) 29.926 ======================= Grid point 375 (169/322) ======================= q-point: ( 0.38 0.15 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( 12.956 -14.270 -0.385) 19.278 2.307 ( 8.250 -13.540 9.528) 18.498 2.704 ( 14.114 0.364 -14.404) 20.170 2.853 ( 12.371 0.998 -10.969) 16.564 3.335 ( 3.759 -5.906 2.605) 7.470 3.893 ( 3.105 1.276 2.483) 4.176 4.132 ( 1.195 -2.125 1.673) 2.956 4.181 ( -2.423 -11.774 4.306) 12.769 4.390 ( -3.297 -3.046 -2.572) 5.174 4.885 ( -11.683 -2.319 5.476) 13.109 5.492 ( -0.667 3.465 -2.346) 4.237 5.622 ( -4.226 6.965 4.818) 9.465 6.764 ( -7.531 7.177 1.499) 10.511 6.816 ( 6.768 4.522 -0.583) 8.161 7.912 ( -13.952 -0.787 -0.894) 14.003 8.483 ( 7.312 0.202 -6.750) 9.953 8.965 ( -3.366 -5.015 2.285) 6.457 19.318 ( -1.302 1.516 0.233) 2.012 19.566 ( -0.831 -1.815 -0.566) 2.074 38.465 ( -0.011 -0.047 0.431) 0.434 62.286 ( 19.886 15.820 -2.326) 25.517 ======================= Grid point 376 (170/322) ======================= q-point: ( 0.46 0.15 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.350 ( 6.321 -9.979 -5.562) 13.057 2.579 ( 9.453 -6.826 5.084) 12.720 2.813 ( 17.098 0.100 -5.217) 17.876 2.841 ( 10.864 8.534 -13.245) 19.139 3.451 ( 1.564 -5.757 0.130) 5.967 3.850 ( -6.510 2.811 3.979) 8.131 4.191 ( 1.101 -4.710 2.472) 5.432 4.402 ( -4.034 -8.586 3.715) 10.188 4.508 ( 4.852 -12.648 0.110) 13.547 4.877 ( -7.758 -4.911 6.066) 11.005 5.372 ( -5.567 5.711 -2.825) 8.461 5.496 ( -2.261 5.230 2.201) 6.108 6.602 ( -3.335 5.743 0.457) 6.657 6.784 ( 3.539 3.619 -0.114) 5.063 7.792 ( -14.915 0.830 -0.297) 14.941 8.500 ( 8.728 4.191 -4.122) 10.523 9.055 ( -2.571 -7.085 0.448) 7.551 19.287 ( -0.734 1.037 0.059) 1.272 19.590 ( -0.531 -1.496 -0.495) 1.663 38.472 ( 0.523 -0.435 0.277) 0.735 62.128 ( 13.378 15.766 -0.990) 20.701 ======================= Grid point 377 (171/322) ======================= q-point: ( 0.54 0.15 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.476 ( 5.440 0.999 -3.901) 6.768 2.648 ( 8.256 10.125 -17.355) 21.723 2.735 ( 7.970 4.868 3.435) 9.951 2.978 ( 9.677 -4.989 -2.584) 11.190 3.585 ( 1.854 -6.284 3.824) 7.587 3.746 ( -5.421 1.642 -0.864) 5.730 4.282 ( -1.003 -4.906 3.550) 6.138 4.532 ( -1.960 -8.079 3.524) 9.029 4.764 ( 2.966 -8.932 1.658) 9.557 4.972 ( -3.738 -10.032 5.553) 12.061 5.219 ( -5.261 5.602 -3.547) 8.464 5.385 ( -2.395 4.856 1.579) 5.640 6.509 ( -0.015 2.966 -0.011) 2.966 6.739 ( 1.315 3.355 0.211) 3.609 7.655 ( -15.360 0.540 -0.106) 15.370 8.475 ( 8.920 5.470 -2.558) 10.772 9.170 ( -0.609 -6.607 -0.788) 6.681 19.269 ( -0.341 0.525 -0.021) 0.626 19.611 ( -0.188 -1.094 -0.489) 1.213 38.487 ( 0.793 -0.553 0.126) 0.974 61.933 ( 6.852 14.239 -0.304) 15.805 ======================= Grid point 378 (172/322) ======================= q-point: (-0.38 0.15 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.352 ( 12.464 18.489 -6.172) 23.136 2.509 ( 1.305 6.783 -5.959) 9.122 2.681 ( -1.489 4.918 -3.722) 6.345 3.109 ( 3.239 -3.639 -6.359) 8.010 3.623 ( -3.453 0.102 -0.956) 3.584 3.801 ( 4.277 -6.185 3.417) 8.259 4.379 ( 0.730 -5.597 3.947) 6.888 4.649 ( -2.196 -5.692 6.067) 8.604 4.848 ( -3.650 1.147 3.301) 5.053 5.050 ( -7.197 0.381 -3.815) 8.155 5.179 ( 1.590 -5.744 4.705) 7.593 5.322 ( 2.268 0.762 -1.713) 2.942 6.491 ( 0.497 -0.373 -0.150) 0.640 6.695 ( 2.261 2.407 0.697) 3.375 7.539 ( -14.288 -1.265 -0.059) 14.344 8.451 ( 8.313 4.168 -2.582) 9.651 9.272 ( 0.629 -4.405 -0.604) 4.491 19.262 ( -0.093 -0.017 -0.043) 0.104 19.626 ( 0.144 -0.673 -0.572) 0.895 38.502 ( 0.793 -0.348 0.015) 0.867 61.727 ( 0.931 11.595 -0.080) 11.633 ======================= Grid point 379 (173/322) ======================= q-point: (-0.31 0.15 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.089 ( 11.217 19.077 -5.216) 22.736 2.338 ( 0.811 12.754 0.052) 12.780 2.554 ( -5.953 4.403 -5.472) 9.208 3.135 ( -1.719 0.101 -13.734) 13.841 3.596 ( -0.926 0.969 -2.093) 2.486 3.948 ( 3.850 -5.157 5.074) 8.195 4.497 ( 2.175 -4.856 4.974) 7.283 4.648 ( -5.379 11.331 3.845) 13.119 4.732 ( -6.001 -3.199 6.968) 9.736 5.020 ( -3.619 -1.301 -3.220) 5.015 5.282 ( 0.813 -4.303 3.564) 5.647 5.376 ( 5.422 -1.701 -3.872) 6.876 6.491 ( -3.504 -0.097 0.243) 3.514 6.736 ( 7.374 -3.477 1.270) 8.251 7.482 ( -10.814 -3.764 -0.377) 11.457 8.455 ( 7.111 1.738 -3.505) 8.116 9.330 ( 0.483 -1.267 0.586) 1.477 19.268 ( 0.053 -0.610 0.007) 0.613 19.636 ( 0.413 -0.270 -0.763) 0.908 38.512 ( 0.638 -0.048 -0.038) 0.641 61.537 ( -3.342 7.981 -0.089) 8.653 ======================= Grid point 380 (174/322) ======================= q-point: (-0.23 0.15 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( 10.488 17.161 -2.128) 20.224 2.083 ( 1.976 15.970 5.175) 16.903 2.423 ( -7.050 3.239 -7.049) 10.483 3.056 ( -3.802 3.891 -18.559) 19.340 3.539 ( 0.111 5.886 0.714) 5.930 4.053 ( 2.350 -2.882 3.710) 5.253 4.348 ( -6.640 13.482 1.754) 15.131 4.571 ( -0.376 0.474 6.833) 6.859 4.776 ( -0.434 -3.737 3.589) 5.200 5.010 ( -5.927 -2.106 -2.178) 6.656 5.370 ( 3.098 -3.162 2.261) 4.971 5.431 ( 3.565 -1.023 -2.713) 4.595 6.450 ( -3.245 1.101 0.747) 3.508 6.926 ( 4.704 -10.761 2.806) 12.074 7.505 ( -3.513 -5.255 -1.689) 6.543 8.488 ( 5.589 0.034 -4.982) 7.487 9.323 ( -0.743 2.082 2.152) 3.085 19.286 ( 0.124 -1.266 0.203) 1.288 19.640 ( 0.536 0.143 -1.083) 1.217 38.515 ( 0.394 0.088 -0.047) 0.407 61.394 ( -4.872 3.746 0.007) 6.145 ======================= Grid point 381 (175/322) ======================= q-point: (-0.15 0.15 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( 8.833 16.710 2.768) 19.102 1.833 ( 6.326 15.513 11.922) 20.563 2.329 ( -4.601 0.257 -9.761) 10.795 2.886 ( -2.664 10.159 -17.248) 20.194 3.366 ( -0.092 13.174 5.788) 14.390 4.035 ( -2.743 6.714 -7.232) 10.243 4.165 ( -0.484 0.696 3.165) 3.277 4.490 ( -2.879 6.790 5.233) 9.044 4.847 ( -4.709 -4.102 0.253) 6.251 5.007 ( -1.832 -2.114 -1.263) 3.069 5.439 ( 1.487 -1.669 3.594) 4.233 5.490 ( 3.643 -3.309 -0.290) 4.930 6.416 ( -0.203 0.949 0.799) 1.257 7.157 ( -7.123 -13.480 5.572) 16.233 7.629 ( 8.863 -7.032 -3.767) 11.924 8.516 ( 3.769 0.774 -7.055) 8.036 9.251 ( -2.308 4.634 3.437) 6.214 19.316 ( 0.090 -1.953 0.621) 2.052 19.636 ( 0.423 0.642 -1.554) 1.733 38.516 ( 0.014 -0.012 -0.043) 0.047 61.332 ( -2.675 -0.325 0.554) 2.751 ======================= Grid point 382 (176/322) ======================= q-point: (-0.08 0.15 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( 6.933 15.836 9.885) 19.914 1.658 ( 11.260 13.427 16.328) 23.952 2.331 ( 2.252 -2.756 -10.141) 10.748 2.590 ( 1.051 19.563 -6.752) 20.722 3.117 ( -0.305 13.610 3.443) 14.042 3.902 ( -1.497 3.271 -14.591) 15.028 4.176 ( 0.021 -0.085 2.900) 2.901 4.321 ( -4.094 8.277 0.398) 9.243 4.815 ( -13.676 -1.347 -1.481) 13.822 5.067 ( 6.509 -1.706 -0.463) 6.745 5.469 ( -3.858 -2.233 4.531) 6.356 5.615 ( 5.283 -6.336 4.016) 9.176 6.420 ( 4.080 0.200 0.464) 4.111 7.283 ( -13.594 -9.102 5.566) 17.280 7.891 ( 13.452 -11.104 -2.736) 17.656 8.483 ( 1.306 4.580 -9.590) 10.707 9.136 ( -3.548 5.503 3.698) 7.520 19.359 ( -0.156 -2.568 1.207) 2.842 19.618 ( 0.010 1.244 -2.105) 2.445 38.516 ( -0.577 -0.220 -0.018) 0.618 61.371 ( 4.393 -3.318 1.518) 5.710 ======================= Grid point 386 (177/322) ======================= q-point: ( 0.23 0.23 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( 11.548 0.000 10.841) 15.839 1.640 ( 10.883 0.000 11.898) 16.124 2.492 ( 1.649 0.000 -7.401) 7.582 2.641 ( 19.623 0.000 -19.803) 27.878 3.056 ( 18.212 0.000 16.514) 24.584 3.820 ( -6.176 -0.000 0.925) 6.245 4.058 ( 11.533 0.000 -9.558) 14.979 4.154 ( -0.097 -0.000 0.224) 0.244 4.312 ( -4.279 -0.000 -5.829) 7.231 4.942 ( -16.763 -0.000 3.811) 17.191 5.552 ( 4.356 0.000 4.411) 6.199 5.973 ( -7.421 -0.000 9.062) 11.713 7.074 ( -7.638 -0.000 1.446) 7.774 7.185 ( 5.555 0.000 0.031) 5.555 7.617 ( -7.055 -0.000 -8.135) 10.769 8.404 ( -5.613 -0.000 0.011) 5.613 8.894 ( 2.059 0.000 -2.094) 2.937 19.412 ( -3.726 -0.000 0.267) 3.736 19.487 ( -0.018 -0.000 -0.015) 0.023 38.478 ( -0.618 -0.000 0.576) 0.845 62.668 ( 29.058 0.000 -8.634) 30.314 ======================= Grid point 387 (178/322) ======================= q-point: ( 0.31 0.23 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( 12.316 -12.498 9.031) 19.734 1.804 ( 9.577 -7.396 7.430) 14.200 2.576 ( 3.774 -7.439 -9.877) 12.928 2.763 ( 15.058 -0.714 -19.267) 24.464 3.217 ( 15.231 -0.519 12.432) 19.667 3.807 ( -5.735 -3.990 2.112) 7.299 4.089 ( 11.667 4.551 -5.248) 13.578 4.164 ( -0.344 -0.248 -0.132) 0.444 4.308 ( -0.013 -1.202 -2.332) 2.624 4.823 ( -15.384 -0.925 3.816) 15.877 5.573 ( 2.004 1.096 3.026) 3.791 5.870 ( -8.389 4.868 8.110) 12.642 6.968 ( -10.302 3.357 1.922) 11.004 7.093 ( 6.741 10.371 -1.095) 12.418 7.703 ( -8.190 -10.687 -5.534) 14.557 8.382 ( -3.322 -2.655 -1.537) 4.522 8.904 ( 1.080 0.292 -1.149) 1.604 19.373 ( -2.785 1.176 0.268) 3.035 19.501 ( -0.369 -1.405 -0.170) 1.462 38.473 ( -0.047 0.304 0.536) 0.618 62.787 ( 23.705 8.910 -6.674) 26.189 ======================= Grid point 388 (179/322) ======================= q-point: ( 0.38 0.23 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( 13.344 -13.082 2.860) 18.905 2.083 ( 5.920 -15.861 7.256) 18.419 2.741 ( 8.051 -5.188 -17.711) 20.135 2.894 ( 12.333 -4.532 -9.359) 16.131 3.332 ( 8.473 -0.610 4.838) 9.776 3.874 ( -5.072 -6.748 4.344) 9.494 4.114 ( 13.770 3.014 -0.607) 14.109 4.143 ( -2.000 1.078 0.087) 2.274 4.322 ( -0.621 -0.954 0.767) 1.373 4.746 ( -12.325 -2.367 4.589) 13.363 5.544 ( -1.451 2.952 -0.385) 3.311 5.709 ( -6.712 6.244 6.669) 11.337 6.811 ( -8.669 5.019 1.067) 10.073 6.984 ( 6.904 7.775 -1.070) 10.453 7.754 ( -12.390 -4.326 -1.850) 13.253 8.459 ( 1.962 -6.245 -4.154) 7.753 8.900 ( -0.969 -0.188 0.436) 1.079 19.332 ( -1.817 1.253 0.151) 2.213 19.526 ( -0.527 -1.784 -0.269) 1.880 38.470 ( 0.477 0.278 0.464) 0.721 62.728 ( 18.574 14.948 -4.039) 24.181 ======================= Grid point 389 (180/322) ======================= q-point: ( 0.46 0.23 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.205 ( 7.353 -10.336 -3.483) 13.154 2.453 ( 7.048 -15.863 8.064) 19.140 2.840 ( 8.671 -1.417 -18.724) 20.683 3.076 ( 15.525 -2.084 -4.550) 16.311 3.400 ( 4.694 -1.463 0.741) 4.973 3.904 ( -1.863 3.830 5.257) 6.766 4.115 ( -3.516 -4.407 1.792) 5.916 4.215 ( 0.508 -4.740 4.752) 6.731 4.385 ( 5.568 -5.718 -1.511) 8.123 4.725 ( -9.026 -4.212 5.464) 11.360 5.428 ( -6.363 5.653 -1.630) 8.666 5.578 ( -2.523 5.043 3.414) 6.592 6.664 ( -5.224 4.864 0.295) 7.144 6.906 ( 4.840 6.047 -0.275) 7.750 7.681 ( -13.873 -0.097 -0.285) 13.877 8.584 ( 6.740 -2.702 -4.496) 8.541 8.915 ( -3.417 -4.170 0.803) 5.451 19.299 ( -1.058 1.046 0.038) 1.488 19.555 ( -0.459 -1.810 -0.293) 1.890 38.473 ( 0.883 -0.058 0.337) 0.947 62.550 ( 13.563 17.937 -2.075) 22.583 ======================= Grid point 390 (181/322) ======================= q-point: ( 0.54 0.23 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.401 ( 1.736 -7.710 -5.770) 9.785 2.717 ( 6.911 -4.827 -0.769) 8.465 2.894 ( 4.385 -0.039 -10.108) 11.019 3.161 ( 20.570 7.927 -3.103) 22.262 3.496 ( 3.461 -5.239 2.227) 6.662 3.766 ( -4.225 5.745 3.632) 8.003 4.196 ( -1.083 -3.807 3.262) 5.129 4.337 ( -4.512 -11.113 3.745) 12.565 4.596 ( 4.624 -11.033 -0.258) 11.966 4.769 ( -7.012 -7.026 5.413) 11.306 5.271 ( -5.675 5.279 -2.406) 8.116 5.471 ( -1.287 5.389 1.224) 5.674 6.557 ( -2.691 3.473 0.241) 4.400 6.837 ( 3.431 5.160 0.287) 6.204 7.556 ( -13.641 1.367 0.145) 13.710 8.624 ( 7.286 3.719 -2.617) 8.589 9.015 ( -2.383 -8.762 -0.875) 9.123 19.277 ( -0.521 0.729 -0.015) 0.896 19.583 ( -0.277 -1.611 -0.322) 1.666 38.486 ( 1.026 -0.379 0.182) 1.109 62.301 ( 8.442 18.649 -0.859) 20.489 ======================= Grid point 391 (182/322) ======================= q-point: ( 0.62 0.23 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.498 ( -0.914 -3.286 -5.467) 6.444 2.728 ( 5.895 6.987 -15.588) 18.071 2.828 ( 2.158 11.056 3.901) 11.921 3.157 ( 12.120 5.241 -3.435) 13.644 3.589 ( -0.968 -1.822 1.906) 2.809 3.745 ( 4.605 -3.990 2.397) 6.548 4.269 ( -2.028 -5.970 5.844) 8.597 4.500 ( -2.701 -8.207 3.862) 9.464 4.786 ( -2.421 -6.554 1.453) 7.137 4.877 ( -6.908 -9.638 2.302) 12.079 5.165 ( -1.119 2.130 -1.155) 2.669 5.384 ( 2.220 3.596 -1.271) 4.413 6.496 ( -1.790 1.393 0.380) 2.300 6.780 ( 3.605 4.045 0.742) 5.469 7.430 ( -11.688 0.819 0.232) 11.719 8.587 ( 5.308 4.938 -2.078) 7.542 9.161 ( -0.158 -7.865 -1.346) 7.981 19.264 ( -0.189 0.345 -0.036) 0.395 19.608 ( -0.065 -1.268 -0.403) 1.332 38.502 ( 0.864 -0.431 0.046) 0.966 62.017 ( 3.652 17.525 -0.229) 17.903 ======================= Grid point 392 (183/322) ======================= q-point: (-0.31 0.23 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.493 ( 0.014 3.290 -1.199) 3.502 2.540 ( 9.014 18.072 -10.498) 22.761 2.608 ( -4.887 9.145 -3.593) 10.974 3.146 ( 3.056 2.974 -7.756) 8.851 3.591 ( -0.292 -0.017 -0.952) 0.996 3.897 ( 6.153 -5.518 4.182) 9.262 4.397 ( 0.096 -7.625 7.036) 10.376 4.593 ( -7.537 -5.714 5.851) 11.122 4.764 ( -4.789 4.477 3.889) 7.623 4.956 ( -4.211 -3.394 -2.703) 6.047 5.196 ( 0.149 -4.788 2.770) 5.534 5.396 ( 6.572 -0.868 -4.760) 8.161 6.469 ( -2.240 0.127 0.575) 2.316 6.762 ( 3.822 1.024 1.117) 4.112 7.360 ( -6.615 -1.693 0.033) 6.828 8.541 ( 3.397 3.411 -2.815) 5.577 9.278 ( 0.211 -4.745 -0.453) 4.771 19.261 ( -0.018 -0.119 -0.040) 0.127 19.627 ( 0.109 -0.861 -0.560) 1.033 38.513 ( 0.494 -0.232 -0.038) 0.547 61.736 ( 0.274 14.657 -0.007) 14.659 ======================= Grid point 393 (184/322) ======================= q-point: (-0.23 0.23 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( 9.618 18.017 -3.345) 20.696 2.372 ( 3.473 12.869 -0.050) 13.329 2.424 ( -7.234 4.157 -6.428) 10.533 3.070 ( -2.200 3.859 -15.163) 15.800 3.589 ( 0.075 0.539 -0.689) 0.878 4.026 ( 4.119 -3.530 3.478) 6.444 4.509 ( -10.305 7.475 5.789) 13.985 4.539 ( 1.376 -4.614 7.590) 8.988 4.705 ( -0.997 -1.280 4.297) 4.593 4.948 ( -4.180 -0.617 -1.332) 4.431 5.303 ( 0.781 -5.670 1.501) 5.917 5.460 ( 5.952 -0.416 -5.007) 7.789 6.451 ( -1.067 0.466 0.853) 1.443 6.806 ( -1.013 -4.159 1.663) 4.592 7.402 ( 2.403 -5.034 -0.763) 5.630 8.517 ( 1.527 0.895 -4.087) 4.453 9.328 ( -0.904 -0.976 1.090) 1.720 19.269 ( 0.032 -0.681 0.014) 0.681 19.639 ( 0.164 -0.424 -0.800) 0.920 38.517 ( 0.030 0.007 -0.063) 0.070 61.505 ( -0.425 10.184 0.059) 10.193 ======================= Grid point 394 (185/322) ======================= q-point: (-0.15 0.23 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.031 ( 13.125 17.583 -3.246) 22.180 2.161 ( 5.510 13.490 8.150) 16.696 2.297 ( -5.678 2.421 -7.367) 9.611 2.951 ( -3.446 4.262 -20.522) 21.241 3.547 ( 0.286 5.024 1.360) 5.213 4.099 ( 2.361 -0.921 2.217) 3.367 4.248 ( -6.259 11.930 3.513) 13.923 4.580 ( -0.333 2.949 8.485) 8.989 4.728 ( -5.811 -2.947 -0.714) 6.555 4.948 ( -1.337 -2.871 2.054) 3.774 5.409 ( 1.180 -4.755 1.397) 5.095 5.490 ( 4.181 0.690 -3.594) 5.556 6.445 ( 2.472 0.737 0.813) 2.704 6.891 ( -8.571 -8.899 2.809) 12.671 7.570 ( 10.569 -7.362 -1.927) 13.023 8.518 ( -0.369 -0.799 -5.747) 5.814 9.301 ( -2.589 2.577 2.735) 4.563 19.287 ( -0.038 -1.323 0.195) 1.338 19.642 ( 0.012 0.081 -1.111) 1.114 38.514 ( -0.503 0.101 -0.041) 0.515 61.375 ( 2.527 4.611 0.230) 5.263 ======================= Grid point 395 (186/322) ======================= q-point: (-0.08 0.23 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( 12.724 19.042 1.476) 22.950 2.002 ( 10.312 12.528 13.930) 21.385 2.273 ( 0.982 -3.239 -9.289) 9.886 2.810 ( -0.905 6.990 -22.048) 23.147 3.394 ( 1.417 13.023 7.414) 15.052 3.976 ( -2.237 9.260 -5.326) 10.914 4.162 ( -1.068 -1.522 2.625) 3.217 4.462 ( -2.102 9.022 6.022) 11.049 4.696 ( -9.898 -0.961 -3.050) 10.402 5.031 ( 1.216 -4.901 3.957) 6.416 5.462 ( 1.173 0.732 0.151) 1.391 5.542 ( 1.989 -4.917 1.047) 5.406 6.469 ( 6.145 0.438 0.413) 6.174 6.991 ( -12.627 -10.812 3.939) 17.084 7.813 ( 12.738 -8.846 -2.419) 15.696 8.510 ( -2.222 0.179 -8.031) 8.335 9.207 ( -4.022 5.008 4.022) 7.579 19.316 ( -0.289 -1.964 0.530) 2.055 19.632 ( -0.394 0.713 -1.448) 1.662 38.506 ( -1.098 0.021 0.032) 1.099 61.391 ( 9.483 -1.242 0.477) 9.576 ======================= Grid point 400 (187/322) ======================= q-point: ( 0.31 0.31 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( 9.584 0.000 9.726) 13.655 1.841 ( 11.375 0.000 5.069) 12.454 2.504 ( 1.939 0.000 -7.444) 7.692 2.852 ( 13.951 0.000 -22.821) 26.747 3.344 ( 12.559 0.000 8.949) 15.422 3.724 ( -5.748 -0.000 0.303) 5.756 4.149 ( -0.561 -0.000 0.712) 0.906 4.175 ( 0.533 0.000 -1.712) 1.793 4.377 ( 15.415 0.000 -0.145) 15.415 4.704 ( -12.432 -0.000 3.782) 12.994 5.593 ( -0.595 -0.000 3.643) 3.692 5.849 ( -10.047 -0.000 8.284) 13.022 6.913 ( -10.777 -0.000 1.403) 10.867 7.279 ( 6.001 0.000 0.045) 6.001 7.509 ( -5.114 -0.000 -6.921) 8.606 8.309 ( -6.074 -0.000 0.031) 6.074 8.919 ( 1.410 0.000 -2.083) 2.515 19.360 ( -2.796 -0.000 0.074) 2.797 19.487 ( 0.006 0.000 0.020) 0.021 38.478 ( 0.419 0.000 0.471) 0.630 63.034 ( 18.990 0.000 -6.623) 20.112 ======================= Grid point 401 (188/322) ======================= q-point: ( 0.38 0.31 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( 8.206 -14.249 8.481) 18.501 1.970 ( 9.366 -4.394 2.491) 10.641 2.608 ( 3.106 -9.541 -8.679) 13.267 2.935 ( 12.251 -0.606 -20.642) 24.011 3.419 ( 7.947 1.513 3.984) 9.018 3.729 ( -4.273 -4.800 1.757) 6.662 4.139 ( -1.067 0.335 -0.540) 1.242 4.177 ( -2.051 -1.095 1.052) 2.552 4.452 ( 12.648 4.990 2.793) 13.880 4.645 ( -4.300 -0.325 5.495) 6.985 5.567 ( -3.755 1.655 1.422) 4.343 5.746 ( -8.338 3.428 7.750) 11.888 6.811 ( -8.403 2.478 0.111) 8.761 7.193 ( 5.417 9.421 -1.403) 10.957 7.570 ( -7.003 -6.692 -2.796) 10.082 8.321 ( -3.611 -6.339 -1.009) 7.365 8.914 ( 0.431 1.085 -1.513) 1.911 19.334 ( -2.040 0.650 -0.011) 2.141 19.497 ( -0.124 -1.065 -0.032) 1.073 38.481 ( 0.785 0.276 0.408) 0.927 63.079 ( 14.766 8.806 -5.030) 17.913 ======================= Grid point 402 (189/322) ======================= q-point: ( 0.46 0.31 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.086 ( 7.394 -11.417 0.536) 13.613 2.179 ( 3.856 -15.634 6.548) 17.383 2.817 ( 6.550 -8.011 -14.929) 18.165 3.051 ( 10.024 -5.914 -13.120) 17.538 3.451 ( 5.828 0.788 2.408) 6.355 3.816 ( -3.123 -7.246 4.113) 8.898 4.111 ( -1.923 2.409 0.886) 3.207 4.176 ( -4.523 -1.492 2.818) 5.533 4.444 ( 9.289 3.612 0.899) 10.007 4.639 ( 0.234 0.561 6.951) 6.978 5.463 ( -7.953 4.422 0.103) 9.101 5.639 ( -3.432 3.791 5.000) 7.152 6.699 ( -5.263 3.640 -0.625) 6.430 7.073 ( 4.676 7.947 -0.716) 9.249 7.571 ( -9.797 -1.420 -0.526) 9.913 8.473 ( 0.897 -10.829 -2.471) 11.143 8.885 ( -1.117 1.571 -0.686) 2.046 19.307 ( -1.231 0.794 -0.060) 1.466 19.520 ( -0.229 -1.603 -0.098) 1.622 38.484 ( 1.048 0.236 0.319) 1.121 62.955 ( 11.124 15.206 -3.228) 19.115 ======================= Grid point 403 (190/322) ======================= q-point: ( 0.54 0.31 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.267 ( 1.591 -7.230 -4.080) 8.453 2.549 ( 2.191 -17.345 7.563) 19.049 2.918 ( 6.613 -0.239 -18.680) 19.818 3.274 ( 10.219 -8.427 -7.168) 15.060 3.500 ( 6.590 -0.432 3.384) 7.421 3.892 ( -0.815 4.352 6.195) 7.615 4.062 ( -3.473 -6.840 3.750) 8.539 4.171 ( -4.694 -1.803 2.932) 5.821 4.515 ( 7.717 -3.080 -2.483) 8.672 4.641 ( -3.154 -1.683 6.503) 7.421 5.312 ( -6.717 4.779 -0.609) 8.266 5.550 ( -1.685 4.420 2.284) 5.253 6.597 ( -3.079 3.710 -0.278) 4.829 6.975 ( 3.913 6.608 0.092) 7.680 7.487 ( -9.886 1.394 0.194) 9.986 8.676 ( 5.847 -6.573 -2.912) 9.267 8.855 ( -4.298 -2.457 -0.407) 4.967 19.286 ( -0.603 0.724 -0.063) 0.944 19.549 ( -0.212 -1.774 -0.152) 1.793 38.491 ( 1.077 -0.039 0.196) 1.095 62.712 ( 7.397 18.953 -1.792) 20.424 ======================= Grid point 404 (191/322) ======================= q-point: ( 0.62 0.31 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.379 ( -2.804 -6.166 -5.722) 8.867 2.783 ( 0.770 -4.616 0.648) 4.725 2.921 ( 2.291 1.194 -10.885) 11.188 3.403 ( 8.248 4.569 -3.618) 10.099 3.576 ( 5.877 -1.356 2.255) 6.439 3.767 ( 4.667 3.990 3.970) 7.312 4.166 ( -3.562 -3.201 4.521) 6.586 4.303 ( -0.430 -14.006 2.733) 14.276 4.586 ( -7.438 -4.783 4.551) 9.945 4.721 ( 1.212 -7.052 -0.236) 7.160 5.200 ( -2.373 3.234 -1.341) 4.230 5.466 ( 0.538 3.995 0.242) 4.038 6.517 ( -2.178 2.782 0.489) 3.567 6.895 ( 3.147 5.419 0.569) 6.292 7.382 ( -7.111 2.071 0.389) 7.416 8.703 ( 2.418 4.458 -1.453) 5.276 8.982 ( -0.684 -11.060 -1.959) 11.253 19.271 ( -0.198 0.545 -0.046) 0.582 19.579 ( -0.122 -1.662 -0.232) 1.682 38.502 ( 0.808 -0.272 0.068) 0.855 62.395 ( 3.609 20.211 -0.813) 20.547 ======================= Grid point 405 (192/322) ======================= q-point: (-0.31 -0.69 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.429 ( -5.675 -3.652 -7.015) 9.734 2.735 ( -2.747 6.661 -4.526) 8.509 2.848 ( 1.102 8.788 -3.808) 9.641 3.294 ( 5.507 8.894 -3.970) 11.189 3.614 ( 3.680 1.668 -0.756) 4.110 3.862 ( 8.315 -4.545 2.887) 9.906 4.250 ( -1.863 -8.040 7.666) 11.264 4.455 ( -4.604 -4.026 3.812) 7.207 4.680 ( -7.177 -10.527 2.013) 12.899 4.839 ( -0.065 -4.721 1.316) 4.902 5.157 ( 0.067 0.180 -0.240) 0.308 5.437 ( 4.345 0.829 -2.838) 5.256 6.464 ( -1.853 1.242 0.929) 2.416 6.828 ( 0.832 3.883 0.835) 4.058 7.321 ( -0.648 0.597 0.358) 0.951 8.622 ( -0.644 4.421 -1.845) 4.834 9.162 ( 0.795 -8.179 -1.581) 8.369 19.263 ( 0.006 0.268 -0.041) 0.271 19.606 ( -0.026 -1.351 -0.365) 1.400 38.512 ( 0.339 -0.281 -0.026) 0.441 62.051 ( 0.717 18.944 -0.263) 18.959 ======================= Grid point 406 (193/322) ======================= q-point: (-0.23 0.31 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.381 ( -10.072 1.910 -8.701) 13.447 2.553 ( -1.829 8.621 4.064) 9.705 2.663 ( 6.532 12.921 -9.493) 17.313 3.166 ( 2.200 8.569 -9.030) 12.642 3.600 ( 1.274 1.255 0.325) 1.818 3.996 ( 4.420 -3.721 1.422) 5.950 4.413 ( -2.519 -8.053 8.558) 12.018 4.472 ( -4.460 -3.394 4.817) 7.390 4.742 ( -0.126 0.835 1.894) 2.074 4.895 ( -2.655 -2.220 2.034) 4.014 5.202 ( 0.049 -4.859 0.870) 4.937 5.484 ( 5.152 -1.345 -4.487) 6.963 6.445 ( -0.869 -0.226 0.887) 1.262 6.768 ( -3.229 1.639 0.994) 3.755 7.369 ( 7.584 -2.869 -0.056) 8.109 8.540 ( -2.742 2.594 -2.840) 4.724 9.277 ( -0.111 -4.158 -0.416) 4.181 19.262 ( 0.057 -0.131 -0.042) 0.149 19.626 ( 0.003 -0.920 -0.556) 1.075 38.516 ( -0.175 -0.088 -0.064) 0.206 61.738 ( 0.080 15.122 -0.035) 15.123 ======================= Grid point 407 (194/322) ======================= q-point: (-0.15 0.31 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.232 ( -7.419 2.794 -9.054) 12.035 2.417 ( 2.752 9.008 7.360) 11.954 2.470 ( 9.242 14.183 -7.588) 18.551 3.003 ( -1.262 7.468 -15.097) 16.891 3.590 ( 0.102 1.022 0.045) 1.028 4.071 ( 0.073 -2.741 0.474) 2.782 4.390 ( -5.375 4.959 5.996) 9.457 4.581 ( 1.141 -3.948 7.262) 8.344 4.700 ( -0.015 2.895 0.875) 3.025 4.902 ( -1.384 -1.129 4.522) 4.862 5.308 ( -0.353 -6.239 0.331) 6.258 5.529 ( 3.341 -0.003 -3.869) 5.112 6.464 ( 2.029 -1.345 0.575) 2.501 6.727 ( -6.948 -1.749 1.218) 7.267 7.536 ( 12.573 -6.101 -0.800) 13.998 8.483 ( -4.631 0.030 -4.065) 6.162 9.308 ( -1.781 -0.090 1.041) 2.065 19.269 ( -0.011 -0.652 0.002) 0.653 19.637 ( -0.112 -0.396 -0.783) 0.884 38.512 ( -0.658 0.154 -0.041) 0.677 61.524 ( 2.696 9.081 0.047) 9.473 ======================= Grid point 408 (195/322) ======================= q-point: (-0.08 0.31 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.184 ( 3.151 0.876 -11.400) 11.860 2.262 ( 9.178 12.721 0.299) 15.689 2.299 ( 7.043 10.572 9.684) 15.973 2.861 ( -1.422 4.505 -21.123) 21.645 3.548 ( -0.436 3.860 0.187) 3.889 4.107 ( -4.017 -2.425 0.932) 4.784 4.198 ( 0.814 13.182 5.445) 14.286 4.591 ( -2.085 2.767 4.627) 5.781 4.637 ( -2.512 3.561 -0.132) 4.359 4.954 ( 0.139 -4.124 6.043) 7.318 5.414 ( -0.715 -5.707 0.312) 5.760 5.530 ( 1.139 1.105 -2.218) 2.727 6.522 ( 6.209 -0.961 0.166) 6.286 6.735 ( -9.937 -6.560 1.771) 12.038 7.765 ( 12.867 -7.395 -1.385) 14.905 8.451 ( -6.033 -1.658 -5.609) 8.403 9.259 ( -3.239 3.360 2.408) 5.251 19.285 ( -0.214 -1.238 0.142) 1.264 19.636 ( -0.416 0.244 -0.999) 1.109 38.501 ( -1.079 0.291 0.043) 1.118 61.469 ( 8.614 1.652 0.056) 8.771 ======================= Grid point 414 (196/322) ======================= q-point: ( 0.38 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( 5.818 0.000 9.059) 10.766 2.013 ( 8.644 0.000 1.731) 8.816 2.517 ( 1.749 0.000 -7.222) 7.431 3.000 ( 11.157 0.000 -22.609) 25.212 3.501 ( 6.458 0.000 1.336) 6.595 3.645 ( -3.814 -0.000 -0.463) 3.842 4.130 ( -5.066 -0.000 1.617) 5.318 4.140 ( -0.787 -0.000 1.175) 1.415 4.515 ( -2.723 -0.000 4.280) 5.073 4.733 ( 14.876 0.000 7.649) 16.727 5.544 ( -6.580 -0.000 1.512) 6.751 5.723 ( -6.541 -0.000 7.592) 10.021 6.773 ( -6.251 -0.000 -1.181) 6.362 7.370 ( 5.044 0.000 0.047) 5.044 7.416 ( -4.503 -0.000 -3.986) 6.014 8.217 ( -5.105 -0.000 0.054) 5.105 8.925 ( -0.171 -0.000 -1.817) 1.825 19.324 ( -1.738 -0.000 -0.134) 1.743 19.487 ( 0.028 0.000 0.044) 0.053 38.491 ( 0.975 0.000 0.329) 1.030 63.257 ( 10.984 0.000 -4.872) 12.016 ======================= Grid point 415 (197/322) ======================= q-point: ( 0.46 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( 2.913 -14.101 8.269) 16.604 2.096 ( 5.249 -2.692 0.587) 5.928 2.635 ( 2.579 -11.279 -7.983) 14.057 3.060 ( 9.160 -0.578 -21.422) 23.305 3.514 ( 3.942 1.811 0.145) 4.341 3.686 ( -1.359 -5.449 0.592) 5.647 4.104 ( -3.445 -1.279 0.421) 3.698 4.131 ( -1.949 0.576 2.780) 3.444 4.493 ( -2.127 0.607 6.259) 6.638 4.800 ( 11.344 5.328 7.681) 14.700 5.458 ( -9.273 2.479 1.675) 9.744 5.675 ( -2.054 2.131 5.267) 6.042 6.714 ( -3.186 1.994 -1.975) 4.246 7.255 ( 2.936 8.265 -1.283) 8.864 7.477 ( -3.842 -2.686 -0.736) 4.746 8.271 ( -2.172 -9.145 -0.681) 9.424 8.906 ( -1.187 1.289 -1.452) 2.276 19.308 ( -1.113 0.388 -0.176) 1.192 19.496 ( -0.023 -0.911 0.021) 0.911 38.497 ( 1.099 0.242 0.248) 1.153 63.248 ( 8.035 8.556 -3.992) 12.397 ======================= Grid point 416 (198/322) ======================= q-point: ( 0.54 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( -0.527 -10.158 0.486) 10.184 2.230 ( 0.566 -14.454 6.065) 15.685 2.879 ( 4.957 -9.869 -13.699) 17.596 3.145 ( 5.637 -6.828 -15.722) 18.044 3.535 ( 4.144 -0.501 1.850) 4.566 3.793 ( -1.102 -7.283 3.608) 8.202 4.074 ( -5.245 3.244 7.776) 9.925 4.121 ( 0.679 -1.062 -2.019) 2.380 4.498 ( 0.625 -2.166 3.580) 4.230 4.748 ( 4.778 8.080 5.537) 10.898 5.333 ( -7.147 3.484 1.417) 8.076 5.617 ( -0.610 3.832 3.260) 5.068 6.646 ( -0.865 3.512 -1.601) 3.955 7.135 ( 3.368 7.668 -0.331) 8.382 7.448 ( -5.226 0.973 0.074) 5.316 8.484 ( 1.189 -13.737 -1.670) 13.889 8.857 ( -2.235 2.417 -1.049) 3.455 19.293 ( -0.505 0.546 -0.149) 0.759 19.518 ( -0.073 -1.496 -0.028) 1.498 38.502 ( 1.035 0.249 0.155) 1.075 63.077 ( 5.214 15.300 -2.900) 16.422 ======================= Grid point 417 (199/322) ======================= q-point: (-0.38 -0.62 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( -4.357 -5.651 -3.353) 7.883 2.558 ( -2.922 -17.116 7.599) 18.954 2.957 ( 3.006 0.910 -18.596) 18.859 3.377 ( 5.558 -11.111 -8.822) 15.238 3.581 ( 1.479 -0.968 2.583) 3.130 3.908 ( 0.452 1.189 8.396) 8.492 4.024 ( -3.053 -8.833 6.301) 11.271 4.135 ( 1.089 -0.157 -0.340) 1.152 4.580 ( 0.272 1.073 -1.038) 1.518 4.632 ( 0.329 0.157 5.043) 5.056 5.238 ( -2.090 2.942 -0.024) 3.608 5.541 ( 0.131 4.187 1.941) 4.617 6.570 ( -0.093 4.190 -0.372) 4.207 7.026 ( 1.776 6.771 0.233) 7.004 7.386 ( -1.985 2.067 0.408) 2.895 8.751 ( 0.989 -13.739 -2.214) 13.951 8.780 ( -1.667 3.564 -0.877) 4.031 19.280 ( -0.079 0.577 -0.087) 0.589 19.547 ( -0.058 -1.736 -0.100) 1.740 38.506 ( 0.681 0.067 0.060) 0.687 62.782 ( 2.001 19.527 -1.860) 19.718 ======================= Grid point 418 (200/322) ======================= q-point: (-0.31 -0.62 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.287 ( -6.955 -5.303 -4.893) 10.022 2.735 ( -7.315 -3.980 3.548) 9.052 2.913 ( -0.320 1.948 -12.499) 12.654 3.442 ( -0.393 4.815 -1.825) 5.164 3.649 ( 3.113 -4.129 -2.252) 5.640 3.914 ( 9.309 1.154 4.043) 10.215 4.126 ( -2.255 -3.584 2.978) 5.177 4.319 ( 1.182 -16.101 3.384) 16.495 4.456 ( -7.732 2.144 4.083) 9.003 4.764 ( 3.630 -5.875 1.869) 7.154 5.184 ( 0.406 2.301 -1.398) 2.722 5.488 ( 2.031 2.363 -0.024) 3.116 6.497 ( -0.311 3.468 0.734) 3.559 6.915 ( -1.229 5.726 0.418) 5.871 7.361 ( 4.693 1.537 0.555) 4.969 8.676 ( -5.393 3.847 -1.178) 6.728 8.999 ( 3.179 -10.786 -2.124) 11.443 19.270 ( 0.136 0.505 -0.042) 0.524 19.578 ( -0.003 -1.659 -0.213) 1.672 38.510 ( 0.153 -0.121 -0.017) 0.196 62.414 ( -0.968 20.675 -1.016) 20.722 ======================= Grid point 419 (201/322) ======================= q-point: (-0.23 -0.62 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.290 ( -9.486 -2.071 -6.786) 11.846 2.632 ( -8.826 4.545 0.161) 9.929 2.836 ( -1.545 5.260 -6.598) 8.578 3.337 ( 1.904 6.700 -5.603) 8.939 3.677 ( 3.718 3.668 0.462) 5.243 3.975 ( 4.008 -1.451 -1.093) 4.401 4.245 ( -1.439 -8.870 6.012) 10.812 4.402 ( -0.915 -1.908 4.935) 5.370 4.616 ( -1.535 -12.861 0.853) 12.981 4.869 ( 2.975 -2.089 5.438) 6.541 5.161 ( 0.487 0.088 -1.352) 1.440 5.491 ( 2.649 -0.505 -1.885) 3.290 6.447 ( -0.628 1.576 0.948) 1.943 6.804 ( -2.958 4.474 0.478) 5.385 7.415 ( 10.951 -0.556 0.339) 10.970 8.556 ( -7.010 3.478 -1.748) 8.018 9.180 ( 1.858 -6.956 -1.554) 7.366 19.264 ( 0.177 0.303 -0.037) 0.353 19.605 ( 0.030 -1.333 -0.374) 1.385 38.512 ( -0.328 -0.141 -0.057) 0.361 62.038 ( -2.217 18.399 -0.458) 18.537 ======================= Grid point 420 (202/322) ======================= q-point: (-0.15 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.185 ( -11.006 1.826 -8.412) 13.972 2.524 ( -2.997 2.229 2.122) 4.296 2.701 ( 0.896 7.563 -7.138) 10.438 3.186 ( 3.009 11.232 -9.273) 14.873 3.632 ( 2.313 3.277 2.476) 4.713 4.014 ( -2.225 -2.145 -2.653) 4.073 4.353 ( -2.778 -4.145 2.343) 5.512 4.511 ( 3.364 -6.028 7.947) 10.526 4.743 ( 0.318 -1.684 0.215) 1.728 4.908 ( 2.787 0.703 7.959) 8.462 5.201 ( -0.205 -4.422 -0.987) 4.536 5.526 ( 0.723 -1.521 -1.806) 2.470 6.436 ( -0.806 -1.093 0.390) 1.413 6.713 ( -2.451 3.013 0.447) 3.910 7.555 ( 14.219 -3.506 -0.222) 14.647 8.441 ( -8.618 1.717 -2.539) 9.147 9.275 ( 0.031 -2.746 -0.590) 2.809 19.263 ( 0.100 -0.052 -0.047) 0.123 19.625 ( -0.030 -0.835 -0.559) 1.005 38.509 ( -0.645 0.050 -0.050) 0.649 61.736 ( -0.499 12.907 -0.170) 12.918 ======================= Grid point 421 (203/322) ======================= q-point: (-0.08 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( -3.669 -2.956 -9.692) 10.776 2.470 ( 1.745 4.235 6.769) 8.173 2.577 ( 5.851 8.262 -8.090) 12.959 2.980 ( 2.641 11.512 -12.192) 16.975 3.596 ( 0.769 2.674 1.200) 3.030 4.019 ( -5.751 -2.488 -2.289) 6.671 4.361 ( -0.725 2.561 2.845) 3.896 4.595 ( -0.049 0.557 3.613) 3.656 4.733 ( 3.120 3.113 4.489) 6.291 4.926 ( 2.355 -0.056 7.557) 7.916 5.294 ( -1.413 -6.068 -1.144) 6.334 5.537 ( -1.840 -0.173 -0.759) 1.998 6.479 ( -1.435 -4.512 -0.051) 4.735 6.661 ( -0.268 1.512 0.329) 1.570 7.753 ( 13.612 -5.383 -0.725) 14.656 8.357 ( -9.438 -0.965 -3.515) 10.117 9.282 ( -1.562 1.148 0.464) 1.993 19.268 ( -0.069 -0.532 -0.019) 0.536 19.633 ( -0.229 -0.203 -0.724) 0.786 38.499 ( -0.804 0.337 0.014) 0.872 61.583 ( 4.315 5.072 -0.076) 6.659 ======================= Grid point 428 (204/322) ======================= q-point: ( 0.46 0.46 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( 0.590 0.000 8.724) 8.744 2.107 ( 2.124 0.000 1.105) 2.394 2.525 ( 1.281 0.000 -6.857) 6.976 3.097 ( 6.882 0.000 -22.772) 23.789 3.578 ( 3.628 0.000 -2.384) 4.342 3.606 ( -0.715 -0.000 -1.130) 1.338 4.074 ( -0.164 -0.000 0.863) 0.878 4.131 ( -0.672 -0.000 1.510) 1.653 4.489 ( -2.971 -0.000 10.661) 11.067 4.921 ( 3.586 0.000 8.539) 9.261 5.407 ( -9.414 -0.000 2.897) 9.850 5.699 ( 1.255 0.000 3.936) 4.131 6.717 ( 0.148 0.000 -2.908) 2.912 7.366 ( -0.138 -0.000 -2.308) 2.312 7.430 ( 2.109 0.000 0.040) 2.109 8.157 ( -2.130 -0.000 0.074) 2.131 8.902 ( -2.305 -0.000 -1.408) 2.701 19.304 ( -0.708 -0.000 -0.236) 0.746 19.488 ( 0.043 0.000 0.053) 0.069 38.509 ( 1.139 0.000 0.155) 1.150 63.376 ( 5.568 0.000 -4.207) 6.979 ======================= Grid point 429 (205/322) ======================= q-point: (-0.46 -0.54 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( -2.641 -13.244 7.995) 15.694 2.124 ( -2.302 -2.072 1.028) 3.263 2.652 ( 1.754 -12.607 -7.447) 14.747 3.112 ( 3.045 -0.279 -21.722) 21.936 3.568 ( 3.828 0.806 -1.946) 4.369 3.680 ( 0.367 -5.101 -0.835) 5.182 4.083 ( -0.465 1.450 3.975) 4.257 4.133 ( 3.306 -0.512 -1.285) 3.584 4.475 ( -3.379 -0.557 11.583) 12.079 4.885 ( -3.662 4.496 6.503) 8.713 5.329 ( -5.749 1.691 3.263) 6.823 5.690 ( 1.783 2.967 3.200) 4.714 6.706 ( 2.927 2.369 -2.752) 4.664 7.301 ( 3.769 7.044 -1.422) 8.115 7.436 ( -1.533 0.525 0.034) 1.621 8.257 ( 0.761 -10.743 -0.648) 10.789 8.867 ( -3.361 1.146 -1.059) 3.705 19.297 ( -0.205 0.282 -0.209) 0.406 19.496 ( 0.027 -0.844 0.033) 0.845 38.515 ( 1.055 0.294 0.061) 1.097 63.328 ( 3.370 8.619 -3.957) 10.065 ======================= Grid point 430 (206/322) ======================= q-point: (-0.38 -0.54 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( -7.367 -8.198 0.878) 11.057 2.217 ( -4.391 -15.122 6.584) 17.068 2.901 ( 1.495 -9.299 -13.487) 16.450 3.155 ( 0.457 -9.326 -15.207) 17.844 3.596 ( 3.080 0.412 -1.361) 3.392 3.791 ( -0.105 -7.350 2.831) 7.877 4.009 ( -4.709 3.616 8.983) 10.767 4.179 ( 6.006 0.750 -2.327) 6.484 4.520 ( 0.227 -4.806 6.588) 8.158 4.736 ( -6.221 7.162 3.935) 10.271 5.272 ( -0.858 2.107 2.068) 3.075 5.633 ( 1.579 4.734 2.872) 5.758 6.667 ( 3.932 4.751 -1.615) 6.376 7.175 ( 0.998 8.513 -0.682) 8.598 7.418 ( 2.170 1.115 0.383) 2.470 8.502 ( 1.333 -13.801 -1.946) 14.001 8.809 ( -3.247 1.742 -0.499) 3.719 19.290 ( 0.192 0.477 -0.122) 0.529 19.517 ( 0.034 -1.445 -0.022) 1.446 38.516 ( 0.664 0.425 -0.007) 0.789 63.114 ( 0.460 15.812 -3.327) 16.165 ======================= Grid point 431 (207/322) ======================= q-point: (-0.31 -0.54 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.118 ( -9.450 -5.761 -1.900) 11.229 2.490 ( -8.052 -15.307 7.172) 18.723 2.918 ( -2.343 1.337 -16.776) 16.991 3.420 ( 2.198 -13.098 -9.474) 16.314 3.551 ( -5.412 1.485 0.390) 5.626 3.938 ( 1.215 -4.666 6.128) 7.797 3.998 ( -1.333 -7.598 6.219) 9.909 4.197 ( 5.147 0.697 -0.565) 5.225 4.520 ( -5.161 5.875 2.780) 8.299 4.696 ( 5.129 -5.319 4.233) 8.515 5.234 ( 1.073 2.534 -0.402) 2.781 5.566 ( 2.397 4.329 1.840) 5.279 6.595 ( 3.317 6.016 -0.131) 6.871 7.020 ( -2.373 7.510 -0.228) 7.879 7.440 ( 8.151 1.055 0.617) 8.243 8.646 ( -8.552 -1.615 -2.258) 8.992 8.847 ( 5.215 -8.368 -0.680) 9.883 19.283 ( 0.388 0.596 -0.035) 0.712 19.547 ( 0.105 -1.706 -0.121) 1.714 38.512 ( 0.053 0.292 -0.036) 0.299 62.769 ( -3.096 20.050 -2.425) 20.432 ======================= Grid point 432 (208/322) ======================= q-point: (-0.23 -0.54 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( -9.723 -5.150 -3.377) 11.510 2.567 ( -14.474 -2.132 2.279) 14.807 2.852 ( -3.834 1.065 -9.213) 10.035 3.405 ( -3.246 2.693 -4.468) 6.144 3.669 ( -0.429 -7.353 -2.766) 7.868 4.027 ( 4.439 0.801 0.599) 4.550 4.101 ( -1.142 -5.808 1.882) 6.211 4.339 ( -0.352 -11.290 3.900) 11.950 4.431 ( 4.070 0.187 4.350) 5.960 4.846 ( 5.354 -4.847 5.660) 9.176 5.193 ( 1.052 2.613 -2.628) 3.852 5.524 ( 2.176 2.556 0.534) 3.399 6.512 ( 1.998 5.206 0.786) 5.631 6.874 ( -3.277 5.792 -0.006) 6.655 7.512 ( 12.816 0.345 0.521) 12.832 8.542 ( -10.431 2.688 -1.568) 10.886 9.058 ( 4.293 -8.808 -1.533) 9.918 19.275 ( 0.396 0.598 0.000) 0.717 19.579 ( 0.191 -1.608 -0.266) 1.641 38.507 ( -0.445 0.032 -0.043) 0.448 62.358 ( -5.707 20.139 -1.483) 20.985 ======================= Grid point 433 (209/322) ======================= q-point: (-0.15 -0.54 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( -11.599 -0.093 -5.526) 12.849 2.467 ( -11.177 -1.828 -0.905) 11.362 2.774 ( -4.161 3.200 -4.486) 6.905 3.336 ( 0.093 4.041 -8.128) 9.077 3.720 ( 0.393 1.018 2.825) 3.028 3.983 ( -0.761 2.410 -4.520) 5.178 4.243 ( 1.412 -6.740 0.673) 6.919 4.452 ( 3.689 -4.703 6.503) 8.833 4.630 ( 2.506 -10.328 3.019) 11.048 4.956 ( 5.588 -1.297 7.921) 9.780 5.163 ( 0.470 0.388 -3.452) 3.505 5.506 ( -0.573 0.323 0.526) 0.842 6.448 ( 0.723 2.918 0.547) 3.056 6.763 ( -2.109 3.936 0.009) 4.465 7.632 ( 15.191 -1.158 0.054) 15.235 8.399 ( -11.636 2.730 -1.696) 12.072 9.211 ( 2.323 -5.125 -1.311) 5.777 19.268 ( 0.281 0.434 -0.018) 0.517 19.606 ( 0.206 -1.215 -0.433) 1.307 38.503 ( -0.619 -0.069 -0.041) 0.624 61.975 ( -5.508 15.960 -0.754) 16.900 ======================= Grid point 434 (210/322) ======================= q-point: (-0.08 -0.54 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( -7.662 -1.877 -8.061) 11.279 2.466 ( -4.234 -3.626 -0.680) 5.616 2.681 ( -1.172 3.483 -4.158) 5.550 3.212 ( 2.528 9.733 -9.267) 13.675 3.683 ( 2.373 4.136 5.444) 7.238 3.936 ( -5.183 -0.378 -6.486) 8.311 4.342 ( 0.937 -2.877 -1.577) 3.412 4.583 ( 3.040 -4.188 7.970) 9.503 4.770 ( 2.529 -2.550 3.343) 4.906 4.999 ( 5.475 1.999 7.807) 9.743 5.190 ( -0.524 -3.457 -3.149) 4.705 5.497 ( -4.234 -0.955 1.882) 4.731 6.423 ( -0.291 -0.038 -0.219) 0.366 6.699 ( -0.030 2.066 -0.141) 2.071 7.789 ( 14.029 -2.735 -0.432) 14.299 8.266 ( -11.668 0.820 -2.185) 11.899 9.278 ( 0.604 -1.141 -0.741) 1.488 19.264 ( 0.103 0.095 -0.047) 0.148 19.624 ( 0.090 -0.626 -0.578) 0.857 38.498 ( -0.527 0.121 -0.013) 0.541 61.717 ( -1.920 8.494 -0.327) 8.715 ======================= Grid point 442 (211/322) ======================= q-point: (-0.46 -0.46 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.715 ( -5.325 -0.000 8.733) 10.228 2.073 ( -7.098 -0.000 1.990) 7.371 2.528 ( 1.093 0.000 -6.673) 6.762 3.099 ( -0.066 -0.000 -22.038) 22.038 3.617 ( 2.373 0.000 -1.304) 2.708 3.626 ( 4.130 0.000 -6.343) 7.569 4.127 ( -0.252 -0.000 1.592) 1.612 4.155 ( 9.596 0.000 -0.994) 9.648 4.435 ( -9.063 -0.000 16.769) 19.061 4.871 ( -10.348 -0.000 5.753) 11.840 5.317 ( -2.027 -0.000 4.464) 4.903 5.738 ( 1.503 0.000 3.535) 3.841 6.763 ( 6.125 0.000 -2.747) 6.713 7.417 ( 7.329 0.000 -2.953) 7.902 7.430 ( -2.056 -0.000 0.034) 2.056 8.157 ( 2.083 0.000 0.076) 2.084 8.842 ( -4.857 -0.000 -0.776) 4.918 19.300 ( 0.208 0.000 -0.188) 0.281 19.489 ( 0.049 0.000 0.044) 0.066 38.527 ( 1.080 0.000 -0.063) 1.082 63.425 ( 2.006 0.000 -4.783) 5.187 ======================= Grid point 443 (212/322) ======================= q-point: (-0.38 -0.46 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( -7.805 -12.662 7.824) 16.806 2.019 ( -11.326 -2.834 2.511) 11.942 2.657 ( 1.089 -12.875 -7.285) 14.833 3.061 ( -2.484 -0.281 -20.441) 20.593 3.636 ( 4.909 0.628 -5.696) 7.545 3.691 ( 1.349 -4.170 -1.191) 4.542 4.068 ( -2.834 5.047 5.566) 8.030 4.238 ( 6.939 0.308 -1.993) 7.226 4.420 ( -6.060 -5.215 13.790) 15.940 4.763 ( -9.319 2.809 3.500) 10.343 5.308 ( 1.233 1.265 4.348) 4.693 5.723 ( 1.081 2.934 4.053) 5.119 6.788 ( 7.670 3.255 -1.793) 8.523 7.335 ( -1.417 7.736 -1.740) 8.055 7.467 ( 7.652 0.836 -1.069) 7.771 8.290 ( 3.299 -10.504 -1.083) 11.063 8.793 ( -5.652 0.500 -0.139) 5.676 19.300 ( 0.567 0.283 -0.087) 0.640 19.497 ( 0.065 -0.835 0.014) 0.837 38.530 ( 0.817 0.495 -0.154) 0.968 63.343 ( -0.151 9.304 -5.129) 10.625 ======================= Grid point 444 (213/322) ======================= q-point: (-0.31 -0.46 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( -12.597 -6.463 1.157) 14.205 2.114 ( -10.447 -17.512 7.670) 21.786 2.865 ( -1.617 -5.089 -14.324) 15.286 3.108 ( -2.196 -13.860 -12.181) 18.582 3.578 ( -7.168 5.087 -1.911) 8.995 3.821 ( 4.100 -7.349 2.534) 8.789 3.973 ( -1.687 1.667 4.885) 5.431 4.247 ( 0.358 0.809 0.313) 0.938 4.519 ( -0.463 -2.843 4.656) 5.475 4.682 ( 0.899 -0.167 4.005) 4.108 5.294 ( 2.200 2.456 2.501) 4.138 5.673 ( 2.258 4.264 3.547) 5.988 6.759 ( 7.659 6.610 -0.560) 10.132 7.152 ( -3.074 9.378 -1.441) 9.974 7.527 ( 10.575 0.339 -0.170) 10.582 8.493 ( -2.747 -8.270 -3.431) 9.365 8.769 ( -0.927 -3.249 1.185) 3.580 19.298 ( 0.743 0.554 0.037) 0.928 19.519 ( 0.177 -1.460 -0.073) 1.472 38.522 ( 0.178 0.778 -0.144) 0.811 63.077 ( -4.128 17.100 -4.682) 18.203 ======================= Grid point 445 (214/322) ======================= q-point: (-0.23 -0.46 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( -12.309 -7.294 -0.263) 14.311 2.322 ( -14.939 -12.006 5.945) 20.066 2.824 ( -4.608 1.368 -13.154) 14.005 3.368 ( -8.522 -5.545 -7.548) 12.663 3.435 ( -6.558 -8.847 -1.607) 11.129 3.998 ( 5.215 -5.508 2.191) 7.895 4.015 ( 2.454 -5.681 2.373) 6.628 4.237 ( -1.127 -0.981 1.609) 2.196 4.502 ( 2.864 2.493 2.326) 4.453 4.801 ( 6.504 -5.602 6.144) 10.556 5.258 ( 1.808 3.357 -0.425) 3.837 5.617 ( 2.939 4.596 2.014) 5.815 6.675 ( 6.619 8.580 0.506) 10.848 6.963 ( -4.344 7.600 -0.773) 8.788 7.623 ( 13.802 -0.087 0.219) 13.804 8.480 ( -11.477 0.512 -2.701) 11.802 8.929 ( 5.134 -9.382 -0.069) 10.696 19.292 ( 0.712 0.754 0.110) 1.043 19.550 ( 0.376 -1.701 -0.225) 1.757 38.508 ( -0.433 0.552 -0.063) 0.704 62.669 ( -8.674 20.594 -3.470) 22.614 ======================= Grid point 446 (215/322) ======================= q-point: (-0.15 -0.46 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( -10.899 -4.949 -1.349) 12.046 2.296 ( -18.935 -3.288 0.616) 19.229 2.760 ( -5.232 0.621 -5.882) 7.897 3.318 ( -5.837 -2.501 -6.762) 9.276 3.611 ( -5.205 -9.182 -4.296) 11.396 4.053 ( -0.523 2.426 1.281) 2.793 4.166 ( 8.974 -5.378 -0.570) 10.478 4.338 ( -1.052 -9.824 2.575) 10.210 4.541 ( 6.811 -2.705 4.756) 8.737 4.956 ( 6.230 -4.574 8.038) 11.151 5.204 ( 1.190 3.436 -3.322) 4.925 5.553 ( 1.008 4.400 1.177) 4.665 6.569 ( 5.113 7.927 0.889) 9.475 6.815 ( -4.214 4.651 -0.340) 6.285 7.745 ( 15.565 -0.249 0.058) 15.567 8.346 ( -13.210 2.425 -1.938) 13.570 9.123 ( 4.097 -7.256 -0.833) 8.374 19.283 ( 0.540 0.798 0.095) 0.968 19.584 ( 0.526 -1.512 -0.404) 1.651 38.498 ( -0.577 0.089 -0.006) 0.584 62.222 ( -10.830 18.481 -2.050) 21.518 ======================= Grid point 447 (216/322) ======================= q-point: (-0.08 -0.46 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.907 ( -10.947 -0.693 -4.288) 11.777 2.289 ( -10.063 -8.896 -1.758) 13.546 2.695 ( -4.350 1.275 -2.736) 5.295 3.304 ( -1.454 1.093 -10.092) 10.255 3.686 ( -4.549 -4.207 -0.932) 6.266 3.969 ( 0.047 5.735 -0.422) 5.751 4.311 ( 6.980 -3.083 -2.281) 7.964 4.506 ( 0.737 -7.866 5.491) 9.621 4.698 ( 4.092 -7.227 5.039) 9.714 5.068 ( 5.318 -0.461 8.355) 9.915 5.163 ( 1.094 0.505 -4.925) 5.070 5.479 ( -2.900 2.868 2.307) 4.686 6.483 ( 3.839 5.305 0.328) 6.556 6.725 ( -2.991 2.086 -0.278) 3.657 7.871 ( 13.000 -0.347 -0.301) 13.008 8.196 ( -11.632 1.917 -1.856) 11.934 9.247 ( 2.480 -3.553 -0.813) 4.408 19.273 ( 0.311 0.631 0.025) 0.704 19.610 ( 0.503 -1.006 -0.552) 1.253 38.495 ( -0.311 -0.100 0.002) 0.326 61.858 ( -8.871 11.818 -0.982) 14.809 ======================= Grid point 456 (217/322) ======================= q-point: (-0.38 -0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( -10.506 -0.000 9.133) 13.921 1.889 ( -16.223 -0.000 3.208) 16.537 2.530 ( 1.130 0.000 -6.768) 6.862 3.014 ( -3.687 -0.000 -20.611) 20.938 3.668 ( 1.808 0.000 -8.421) 8.613 3.671 ( 4.344 0.000 -0.845) 4.425 4.131 ( 0.304 0.000 1.347) 1.381 4.204 ( -19.229 -0.000 11.429) 22.369 4.376 ( 12.275 0.000 4.614) 13.114 4.722 ( -6.962 -0.000 2.547) 7.413 5.344 ( 2.963 0.000 5.699) 6.423 5.760 ( 0.317 0.000 5.601) 5.610 6.890 ( 10.108 0.000 -0.726) 10.135 7.371 ( -5.012 -0.000 0.033) 5.012 7.572 ( 12.320 0.000 -6.284) 13.830 8.217 ( 5.072 0.000 0.060) 5.072 8.742 ( -7.565 -0.000 0.449) 7.578 19.309 ( 0.922 0.000 0.044) 0.923 19.489 ( 0.044 0.000 0.020) 0.049 38.543 ( 0.863 0.000 -0.333) 0.925 63.421 ( -0.754 -0.000 -6.962) 7.003 ======================= Grid point 457 (218/322) ======================= q-point: (-0.31 -0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( -11.987 -11.938 7.530) 18.518 1.784 ( -18.279 -5.314 4.606) 19.585 2.654 ( 0.626 -12.115 -7.568) 14.299 2.957 ( -4.738 -0.509 -18.560) 19.162 3.594 ( -11.822 4.923 -0.704) 12.826 3.758 ( 6.467 -4.813 -0.188) 8.064 3.995 ( -7.554 3.099 3.141) 8.748 4.193 ( -5.995 -3.417 3.415) 7.699 4.513 ( 11.492 -1.942 0.287) 11.658 4.683 ( -0.828 -0.163 3.483) 3.583 5.361 ( 3.151 1.781 5.265) 6.389 5.751 ( 1.251 2.150 6.173) 6.656 6.936 ( 10.628 4.497 0.559) 11.554 7.275 ( -4.247 6.104 -1.285) 7.547 7.633 ( 12.272 1.835 -5.089) 13.412 8.339 ( 2.432 -7.060 -2.241) 7.796 8.695 ( -5.980 -2.132 2.024) 6.664 19.314 ( 1.118 0.366 0.227) 1.198 19.498 ( 0.122 -0.902 -0.036) 0.911 38.540 ( 0.436 0.826 -0.387) 1.011 63.298 ( -3.718 10.907 -7.946) 13.997 ======================= Grid point 458 (219/322) ======================= q-point: (-0.23 -0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( -16.312 -7.191 2.214) 17.963 1.931 ( -14.226 -18.117 8.253) 24.469 2.790 ( -3.617 -0.645 -14.339) 14.803 3.027 ( -5.060 -16.158 -9.224) 19.281 3.343 ( -21.036 4.593 5.217) 22.154 3.936 ( 9.143 -7.333 1.329) 11.796 3.967 ( 0.394 -2.026 -4.233) 4.710 4.199 ( -4.192 -1.375 3.515) 5.641 4.563 ( 3.709 1.426 -2.925) 4.935 4.777 ( 9.076 -4.220 6.462) 11.915 5.340 ( 2.357 3.405 3.117) 5.183 5.719 ( 2.199 3.659 4.910) 6.506 6.895 ( 7.717 7.804 1.325) 11.055 7.096 ( -1.701 10.265 -1.999) 10.595 7.724 ( 13.474 -0.906 -2.248) 13.690 8.382 ( -9.694 -0.917 -3.831) 10.464 8.797 ( 3.440 -9.199 2.119) 10.047 19.313 ( 1.091 0.748 0.362) 1.372 19.523 ( 0.422 -1.578 -0.201) 1.646 38.521 ( -0.261 1.164 -0.222) 1.213 62.954 ( -9.768 19.278 -7.062) 22.736 ======================= Grid point 459 (220/322) ======================= q-point: (-0.15 -0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( -12.826 -10.165 1.709) 16.455 2.051 ( -19.854 -7.249 5.152) 21.755 2.717 ( -5.409 0.703 -9.066) 10.580 3.140 ( -16.134 -6.588 -3.341) 17.744 3.341 ( -5.020 -14.093 -4.448) 15.608 4.035 ( 1.733 -3.949 -3.496) 5.551 4.153 ( 10.513 -6.792 1.472) 12.603 4.199 ( -2.484 -2.440 2.359) 4.206 4.574 ( 4.339 0.036 -0.884) 4.428 4.936 ( 8.531 -4.199 7.829) 12.316 5.286 ( 1.647 4.252 0.079) 4.561 5.658 ( 1.258 5.209 2.696) 5.999 6.799 ( 5.722 8.354 1.419) 10.225 6.890 ( -1.659 10.142 -1.060) 10.331 7.861 ( 15.441 -1.066 -0.866) 15.502 8.268 ( -13.982 1.421 -2.971) 14.365 9.010 ( 4.836 -9.098 0.516) 10.316 19.305 ( 0.882 1.022 0.366) 1.399 19.559 ( 0.793 -1.731 -0.444) 1.955 38.500 ( -0.500 0.656 -0.007) 0.826 62.470 ( -15.167 20.700 -4.663) 26.082 ======================= Grid point 460 (221/322) ======================= q-point: (-0.08 -0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( -11.804 -3.095 1.065) 12.249 2.002 ( -16.306 -9.832 0.500) 19.047 2.662 ( -5.440 0.153 -4.777) 7.241 3.197 ( -6.856 -8.445 -7.855) 13.417 3.509 ( -5.490 -9.491 -5.396) 12.220 4.055 ( 0.216 2.740 2.769) 3.901 4.306 ( -2.030 -10.552 -0.712) 10.769 4.338 ( 10.413 -3.658 -0.455) 11.046 4.640 ( 3.963 -3.470 2.984) 6.054 5.079 ( 6.624 -3.548 9.338) 11.986 5.218 ( 1.560 4.194 -3.245) 5.528 5.555 ( -1.288 6.169 1.574) 6.496 6.688 ( 9.587 11.374 1.245) 14.927 6.728 ( -6.627 2.677 -0.400) 7.158 7.973 ( 8.502 1.732 -0.096) 8.678 8.139 ( -7.765 0.344 -2.958) 8.317 9.184 ( 3.556 -6.066 0.005) 7.031 19.292 ( 0.583 1.072 0.247) 1.245 19.594 ( 0.941 -1.361 -0.645) 1.776 38.492 ( -0.126 -0.005 0.063) 0.141 62.004 ( -15.568 15.288 -2.327) 21.943 ======================= Grid point 470 (222/322) ======================= q-point: (-0.31 -0.31 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( -13.933 -0.000 10.013) 17.158 1.589 ( -21.564 -0.000 5.073) 22.152 2.532 ( 1.003 0.000 -6.954) 7.026 2.895 ( -5.378 -0.000 -18.570) 19.333 3.521 ( -24.918 -0.000 8.128) 26.210 3.746 ( 5.017 0.000 -0.003) 5.017 3.946 ( -6.880 -0.000 -2.910) 7.470 4.142 ( 0.731 0.000 0.823) 1.101 4.588 ( 7.064 0.000 -5.901) 9.204 4.699 ( 7.788 0.000 6.508) 10.149 5.409 ( 2.607 0.000 6.290) 6.808 5.790 ( 1.769 0.000 8.399) 8.583 7.084 ( 13.857 0.000 2.258) 14.040 7.281 ( -5.995 -0.000 0.026) 5.995 7.742 ( 10.097 0.000 -12.543) 16.102 8.308 ( 6.056 0.000 0.039) 6.056 8.612 ( -8.479 -0.000 3.350) 9.117 19.328 ( 1.388 0.000 0.517) 1.481 19.490 ( 0.032 0.000 -0.015) 0.035 38.552 ( 0.422 0.000 -0.646) 0.772 63.364 ( -4.020 -0.000 -11.564) 12.243 ======================= Grid point 471 (223/322) ======================= q-point: (-0.23 -0.31 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( -18.393 -5.683 5.810) 20.109 1.505 ( -16.395 -14.131 9.857) 23.783 2.641 ( -0.145 -10.509 -8.223) 13.345 2.825 ( -6.924 -0.328 -15.101) 16.616 3.233 ( -32.184 4.585 13.067) 35.037 3.860 ( 4.626 -6.884 0.172) 8.296 3.933 ( 2.470 -1.682 -8.708) 9.207 4.159 ( -0.413 -0.896 1.850) 2.097 4.595 ( 1.046 0.485 -7.353) 7.443 4.827 ( 15.080 -1.572 6.448) 16.476 5.412 ( 1.223 2.052 5.293) 5.807 5.798 ( 2.454 2.235 8.621) 9.237 7.073 ( 1.201 8.385 1.303) 8.570 7.263 ( 7.718 3.113 0.796) 8.360 7.789 ( 7.798 -0.949 -11.661) 14.061 8.324 ( -3.699 2.288 -1.326) 4.547 8.653 ( 0.672 -8.765 4.345) 9.806 19.336 ( 1.459 0.516 0.792) 1.738 19.501 ( 0.225 -1.102 -0.128) 1.132 38.542 ( -0.111 1.152 -0.595) 1.302 63.176 ( -9.029 13.679 -12.960) 20.895 ======================= Grid point 472 (224/322) ======================= q-point: (-0.15 -0.31 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( -16.326 -10.069 5.297) 19.899 1.710 ( -15.579 -15.547 8.754) 23.687 2.683 ( -6.211 1.721 -10.802) 12.579 2.838 ( -20.201 -8.543 -1.317) 21.973 3.054 ( -10.972 -10.211 2.818) 15.251 3.951 ( 0.093 -4.257 -10.723) 11.538 4.108 ( 11.169 -8.636 0.436) 14.125 4.166 ( -1.175 -0.235 3.751) 3.938 4.594 ( 2.013 -0.166 -6.935) 7.223 4.980 ( 13.462 -1.465 7.305) 15.386 5.370 ( 0.182 3.526 2.830) 4.525 5.761 ( 1.127 4.589 6.544) 8.071 6.894 ( -7.380 7.219 -0.516) 10.337 7.204 ( 14.274 13.275 1.302) 19.536 7.914 ( 9.527 -5.813 -7.013) 13.181 8.197 ( -10.533 3.985 -0.881) 11.296 8.872 ( 5.018 -10.456 2.175) 11.800 19.334 ( 1.303 1.048 0.882) 1.891 19.532 ( 0.805 -1.840 -0.467) 2.062 38.514 ( -0.483 1.299 -0.188) 1.398 62.718 ( -17.679 21.718 -9.938) 29.716 ======================= Grid point 473 (225/322) ======================= q-point: (-0.08 -0.31 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( -10.517 -13.449 4.711) 17.711 1.735 ( -20.296 -3.871 6.525) 21.667 2.613 ( -5.313 0.130 -7.551) 9.233 2.876 ( -15.199 -15.398 -0.730) 21.648 3.255 ( -4.218 -13.271 -4.609) 14.668 4.039 ( 0.311 -5.876 -9.278) 10.987 4.160 ( -1.727 -0.756 4.207) 4.610 4.342 ( 10.077 -6.451 0.470) 11.974 4.625 ( 3.581 -1.598 -4.315) 5.830 5.109 ( 10.086 -1.190 9.323) 13.786 5.301 ( 0.013 3.996 -0.679) 4.054 5.662 ( -1.934 6.456 3.763) 7.719 6.720 ( -9.671 3.909 -0.682) 10.454 7.045 ( 14.725 16.168 2.142) 21.973 8.025 ( -14.766 2.793 -1.926) 15.151 8.101 ( 14.093 -3.466 -3.493) 14.927 9.084 ( 4.102 -8.228 1.120) 9.262 19.321 ( 0.950 1.392 0.725) 1.835 19.574 ( 1.273 -1.760 -0.836) 2.328 38.495 ( -0.034 0.463 0.100) 0.475 62.162 ( -21.580 19.014 -5.045) 29.201 ======================= Grid point 484 (226/322) ======================= q-point: (-0.23 -0.23 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( -15.264 -0.000 11.510) 19.117 1.256 ( -21.018 -0.000 9.992) 23.273 2.529 ( 0.701 0.000 -7.055) 7.090 2.757 ( -7.278 -0.000 -14.647) 16.356 3.001 ( -39.204 -0.000 18.049) 43.159 3.826 ( 4.777 0.000 0.848) 4.851 3.927 ( 3.678 0.000 -11.668) 12.234 4.156 ( 0.769 0.000 0.199) 0.794 4.592 ( 0.507 0.000 -9.073) 9.087 4.957 ( 17.673 0.000 5.650) 18.554 5.438 ( -1.021 -0.000 5.357) 5.453 5.857 ( 3.641 0.000 10.990) 11.577 7.187 ( -5.573 -0.000 0.012) 5.573 7.328 ( 13.869 0.000 4.970) 14.732 7.781 ( -1.256 -0.000 -20.603) 20.642 8.403 ( 5.610 0.000 0.020) 5.610 8.532 ( -1.526 -0.000 7.798) 7.945 19.355 ( 1.744 0.000 1.305) 2.178 19.490 ( 0.014 0.000 -0.052) 0.054 38.551 ( -0.306 -0.000 -0.924) 0.973 63.221 ( -10.244 -0.000 -19.480) 22.009 ======================= Grid point 485 (227/322) ======================= q-point: (-0.15 -0.23 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( -16.845 -5.597 11.762) 21.294 1.292 ( -13.905 -16.620 11.517) 24.540 2.569 ( -17.912 -2.930 1.494) 18.212 2.641 ( -9.976 0.665 -5.335) 11.333 2.785 ( -16.799 -7.063 2.927) 18.457 3.884 ( 1.650 -1.972 -8.467) 8.849 4.026 ( 7.963 -7.820 -3.865) 11.811 4.165 ( 0.604 -0.303 0.774) 1.027 4.593 ( 2.083 -0.350 -9.466) 9.699 5.103 ( 16.736 0.260 6.147) 17.831 5.411 ( -2.858 1.635 3.630) 4.901 5.865 ( 2.921 3.876 10.632) 11.687 6.988 ( -9.188 10.998 -1.368) 14.396 7.496 ( 15.829 0.674 6.164) 17.000 7.764 ( -6.292 -6.065 -18.974) 20.890 8.292 ( 1.452 9.396 2.826) 9.919 8.719 ( 5.523 -11.220 3.891) 13.097 19.365 ( 1.833 0.769 1.633) 2.573 19.505 ( 0.424 -1.515 -0.314) 1.605 38.534 ( -0.663 1.218 -0.634) 1.525 62.923 ( -18.982 17.172 -19.489) 32.172 ======================= Grid point 486 (228/322) ======================= q-point: (-0.08 -0.23 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( -10.362 -12.425 11.231) 19.694 1.476 ( -16.211 -10.876 10.660) 22.242 2.449 ( -23.464 -12.117 11.942) 28.983 2.577 ( -5.884 1.014 -12.459) 13.815 2.958 ( -3.353 -15.183 -2.687) 15.779 3.926 ( 0.550 -3.809 -13.908) 14.431 4.164 ( -0.113 -0.090 2.544) 2.548 4.265 ( 6.872 -8.879 -1.618) 11.344 4.627 ( 5.688 -1.434 -7.505) 9.526 5.219 ( 13.099 1.447 8.606) 15.740 5.349 ( -3.102 2.443 -0.152) 3.951 5.778 ( -1.397 7.463 8.130) 11.124 6.722 ( -13.056 6.814 -1.590) 14.812 7.476 ( 17.954 15.022 3.331) 23.645 7.855 ( -12.011 -8.266 -7.899) 16.582 8.191 ( 7.786 3.066 -0.880) 8.414 8.959 ( 4.961 -9.531 1.974) 10.925 19.359 ( 1.480 1.525 1.533) 2.620 19.548 ( 1.333 -2.195 -0.999) 2.756 38.508 ( -0.181 0.939 -0.018) 0.957 62.333 ( -27.327 21.809 -10.838) 36.604 ======================= Grid point 498 (229/322) ======================= q-point: (-0.15 -0.15 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( -13.872 -0.000 13.979) 19.694 1.009 ( -12.526 -0.000 19.272) 22.985 2.386 ( -39.461 -0.000 25.759) 47.124 2.522 ( 0.399 0.000 -7.035) 7.046 2.637 ( -6.228 -0.000 -13.882) 15.215 3.900 ( 3.983 0.000 1.460) 4.242 3.977 ( 6.069 0.000 -14.734) 15.935 4.165 ( 0.317 0.000 -0.329) 0.456 4.602 ( 4.154 0.000 -9.308) 10.193 5.251 ( 16.536 0.000 6.188) 17.656 5.394 ( -5.487 -0.000 2.154) 5.894 5.954 ( 5.163 0.000 12.473) 13.500 7.107 ( -4.230 -0.000 -0.006) 4.230 7.340 ( -19.118 -0.000 -9.245) 21.236 7.775 ( 11.847 0.000 -6.837) 13.679 8.483 ( 4.238 0.000 0.005) 4.238 8.607 ( 7.627 0.000 7.182) 10.476 19.393 ( 2.566 0.000 2.303) 3.448 19.490 ( -0.006 -0.000 -0.082) 0.082 38.539 ( -0.939 -0.000 -0.884) 1.290 62.903 ( -24.280 -0.000 -28.533) 37.466 ======================= Grid point 499 (230/322) ======================= q-point: (-0.08 -0.15 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( -7.063 -6.693 19.927) 22.176 1.121 ( -10.433 -15.424 14.291) 23.473 2.113 ( -31.443 -2.594 23.892) 39.575 2.545 ( -3.639 0.634 -11.919) 12.478 2.671 ( -2.145 -12.090 -4.864) 13.207 3.896 ( 2.708 0.915 -10.790) 11.162 4.120 ( 4.410 -7.553 -6.412) 10.845 4.177 ( 0.721 -1.987 -1.180) 2.421 4.650 ( 8.307 -1.194 -6.497) 10.614 5.316 ( -6.710 1.139 5.662) 8.853 5.388 ( 13.273 1.143 0.667) 13.339 5.938 ( 3.046 7.933 11.989) 14.695 6.771 ( -18.073 13.149 -3.220) 22.581 7.495 ( -12.674 -19.448 -7.919) 24.527 7.827 ( 16.297 6.457 0.169) 17.530 8.355 ( 4.323 10.128 0.824) 11.043 8.829 ( 6.738 -9.944 2.579) 12.285 19.404 ( 2.409 1.437 2.414) 3.701 19.514 ( 0.977 -2.239 -0.746) 2.554 38.522 ( -0.501 0.792 -0.306) 0.986 62.448 ( -34.510 17.928 -21.079) 44.234 ======================= Grid point 512 (231/322) ======================= q-point: (-0.08 -0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( -8.838 -0.000 15.983) 18.264 0.975 ( 0.933 0.000 26.630) 26.646 1.880 ( -29.864 -0.000 34.252) 45.443 2.510 ( 0.240 0.000 -6.965) 6.969 2.538 ( -2.247 -0.000 -12.584) 12.783 3.958 ( 2.673 0.000 1.816) 3.231 4.034 ( 5.550 0.000 -23.420) 24.069 4.163 ( -0.381 -0.000 -0.689) 0.787 4.711 ( 11.986 0.000 -3.571) 12.507 5.244 ( -12.962 -0.000 1.595) 13.060 5.514 ( 12.720 0.000 1.926) 12.865 6.101 ( 10.942 0.000 12.076) 16.296 6.835 ( -36.009 -0.000 -8.994) 37.116 7.054 ( -2.284 -0.000 -0.020) 2.284 7.983 ( 11.320 0.000 -0.002) 11.320 8.536 ( 2.276 0.000 -0.005) 2.276 8.765 ( 9.149 0.000 3.031) 9.638 19.453 ( 4.207 0.000 2.290) 4.790 19.490 ( -0.026 -0.000 -0.100) 0.103 38.525 ( -0.343 -0.000 -0.279) 0.443 62.286 ( -43.205 -0.000 -24.205) 49.523 ======================= Grid point 513 (232/322) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( -0.118 -0.000 7.034) 7.035 1.516 ( 3.160 0.000 14.515) 14.855 2.209 ( -8.539 -0.000 -3.381) 9.184 2.379 ( 0.155 0.000 -3.804) 3.807 2.499 ( 7.696 0.000 25.959) 27.076 3.384 ( -0.736 -0.000 -29.843) 29.852 4.022 ( 0.263 0.000 1.070) 1.102 4.136 ( -0.333 -0.000 -0.607) 0.693 4.948 ( 9.369 0.000 0.036) 9.369 4.968 ( -10.535 -0.000 -0.408) 10.543 5.630 ( -0.349 -0.000 0.147) 0.379 6.396 ( -10.373 -0.000 1.878) 10.542 6.459 ( 10.176 0.000 2.071) 10.384 7.035 ( -0.011 -0.000 -0.010) 0.014 8.093 ( 0.544 0.000 0.133) 0.560 8.554 ( 0.007 0.000 -0.005) 0.008 8.848 ( 0.667 0.000 -0.576) 0.881 19.487 ( -0.018 -0.000 -0.044) 0.048 19.521 ( 0.843 0.000 0.001) 0.843 38.527 ( 0.175 0.000 -0.011) 0.176 61.632 ( -6.978 -0.000 -0.040) 6.979 ======================= Grid point 514 (233/322) ======================= q-point: ( 0.08 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( 2.326 -14.008 8.172) 16.384 1.622 ( 8.900 -4.531 12.222) 15.784 2.082 ( -10.380 2.283 -1.499) 10.733 2.304 ( 8.916 5.031 -4.842) 11.325 2.800 ( 6.258 -14.487 19.677) 25.223 3.379 ( 2.453 -2.708 -26.783) 27.031 4.046 ( -1.779 -3.294 0.471) 3.773 4.154 ( 0.401 -1.959 -0.021) 2.000 4.812 ( -18.520 -0.238 -0.348) 18.525 5.086 ( 15.835 0.693 0.790) 15.870 5.593 ( -5.997 1.134 0.640) 6.137 6.183 ( -4.553 13.939 4.619) 15.374 6.465 ( 11.855 4.905 -0.854) 12.858 7.259 ( 0.435 -15.099 0.380) 15.111 8.111 ( -5.048 -4.273 -1.213) 6.724 8.395 ( 0.880 14.336 -0.916) 14.392 8.929 ( -1.355 -6.894 -0.323) 7.033 19.484 ( -0.768 1.461 1.046) 1.954 19.518 ( 0.192 -0.774 -1.660) 1.841 38.525 ( -0.312 0.226 -0.100) 0.398 61.596 ( 6.719 3.964 4.257) 8.887 ======================= Grid point 515 (234/322) ======================= q-point: ( 0.15 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( 3.306 -11.313 13.068) 17.598 1.838 ( 12.257 -8.049 8.381) 16.889 2.055 ( -4.435 -7.406 -15.381) 17.638 2.300 ( 11.522 4.280 -3.055) 12.665 3.116 ( 3.710 -13.316 16.935) 21.860 3.462 ( 3.734 -6.430 -18.997) 20.401 4.135 ( -1.933 -8.591 1.842) 8.996 4.201 ( 0.727 -2.152 0.608) 2.352 4.679 ( -15.996 -0.399 -0.075) 16.001 5.172 ( 11.142 2.127 1.144) 11.401 5.507 ( -7.888 1.595 0.914) 8.100 5.925 ( 1.657 13.031 2.514) 13.375 6.487 ( 9.278 2.049 -0.129) 9.502 7.393 ( -7.987 -0.445 5.380) 9.641 8.115 ( 2.102 8.418 -9.761) 13.060 8.203 ( -1.743 -2.214 0.535) 2.868 9.042 ( -2.818 -7.152 0.781) 7.726 19.429 ( -1.306 3.095 0.461) 3.390 19.547 ( -0.187 -2.040 -1.251) 2.401 38.514 ( -0.907 0.346 -0.029) 0.971 61.599 ( 15.747 6.496 4.614) 17.648 ======================= Grid point 516 (235/322) ======================= q-point: ( 0.23 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( 6.276 -9.014 6.941) 12.993 2.091 ( 12.883 -6.784 1.592) 14.647 2.182 ( 0.467 -8.004 -22.103) 23.512 2.340 ( 11.487 0.273 7.218) 13.570 3.354 ( -0.535 -8.570 4.711) 9.794 3.661 ( 5.783 -14.427 -3.155) 15.860 4.224 ( -0.762 0.035 1.357) 1.557 4.331 ( -0.978 -12.812 4.259) 13.537 4.571 ( -12.176 -0.189 -0.422) 12.185 5.179 ( 3.453 3.683 1.974) 5.421 5.441 ( -3.563 0.285 -0.761) 3.655 5.733 ( 1.506 10.118 0.829) 10.263 6.534 ( 8.871 0.875 0.170) 8.916 7.186 ( -14.819 10.996 5.756) 19.330 7.993 ( 12.199 9.063 -6.467) 16.517 8.268 ( -6.690 -5.937 -4.788) 10.146 9.140 ( -4.056 -6.311 1.925) 7.745 19.365 ( -1.134 2.760 0.149) 2.988 19.578 ( -0.520 -1.742 -0.884) 2.021 38.500 ( -1.194 0.197 0.136) 1.218 61.613 ( 18.048 7.401 3.226) 19.772 ======================= Grid point 517 (236/322) ======================= q-point: ( 0.31 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( 9.268 -3.549 -7.310) 12.325 2.256 ( 8.624 -3.809 -6.508) 11.456 2.307 ( 4.808 -6.743 -11.269) 13.985 2.509 ( 10.427 -6.371 14.438) 18.915 3.452 ( -1.990 -4.778 -0.930) 5.258 4.035 ( 5.719 -18.803 4.759) 20.222 4.176 ( -4.319 3.314 2.660) 6.060 4.483 ( -7.307 -1.152 -2.516) 7.813 4.578 ( -0.273 -11.724 5.685) 13.033 5.119 ( -0.625 3.698 2.782) 4.669 5.424 ( -1.846 0.041 -2.922) 3.457 5.578 ( 0.409 7.456 0.160) 7.469 6.591 ( 7.944 0.591 0.083) 7.966 6.861 ( -12.622 11.553 2.541) 17.299 7.941 ( 11.351 6.790 -3.286) 13.629 8.278 ( -6.888 -1.888 -5.482) 9.004 9.208 ( -4.554 -4.732 2.259) 6.945 19.314 ( -0.750 1.962 0.013) 2.100 19.600 ( -0.572 -1.205 -0.637) 1.478 38.491 ( -1.049 -0.133 0.258) 1.089 61.626 ( 15.733 6.353 1.931) 17.077 ======================= Grid point 518 (237/322) ======================= q-point: ( 0.38 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( 7.767 5.327 -12.456) 15.616 2.400 ( -0.186 -6.606 -12.035) 13.730 2.464 ( 9.124 -5.301 2.983) 10.966 2.739 ( 9.969 -8.153 10.299) 16.490 3.531 ( 0.699 -5.119 -0.123) 5.168 4.046 ( -7.900 5.562 2.577) 9.999 4.320 ( -1.905 -5.750 1.764) 6.309 4.514 ( 1.678 -8.815 0.190) 8.975 4.781 ( 0.786 -8.459 4.455) 9.593 5.064 ( 0.341 1.860 2.561) 3.183 5.350 ( -4.454 4.907 -2.057) 6.939 5.508 ( 0.411 0.763 -0.713) 1.123 6.575 ( -3.391 7.685 0.108) 8.401 6.662 ( 1.289 0.661 0.338) 1.488 7.915 ( 8.788 4.750 -1.382) 10.085 8.225 ( -6.309 0.842 -4.472) 7.779 9.247 ( -3.611 -2.930 1.572) 4.909 19.281 ( -0.395 1.129 -0.032) 1.196 19.612 ( -0.401 -0.681 -0.467) 0.918 38.489 ( -0.652 -0.351 0.249) 0.781 61.639 ( 10.598 3.977 1.030) 11.366 ======================= Grid point 519 (238/322) ======================= q-point: ( 0.46 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( 3.396 5.473 -7.983) 10.257 2.449 ( -0.329 -0.168 -3.777) 3.795 2.596 ( 2.774 -3.009 -0.165) 4.095 2.961 ( 5.642 -7.137 2.140) 9.347 3.665 ( 5.255 -7.155 0.317) 8.883 3.867 ( -9.450 6.267 1.009) 11.385 4.325 ( -0.957 0.362 -1.623) 1.919 4.698 ( 1.673 -6.004 2.579) 6.745 4.880 ( 1.166 -1.294 2.490) 3.039 5.088 ( 3.342 -1.883 1.022) 3.970 5.219 ( -4.294 4.241 0.031) 6.036 5.506 ( -1.841 -0.424 0.710) 2.018 6.441 ( -1.709 3.257 -0.218) 3.685 6.682 ( 1.499 -0.126 -0.082) 1.506 7.905 ( 3.618 1.806 -0.388) 4.062 8.156 ( -3.115 1.561 -2.442) 4.255 9.266 ( -1.240 -1.327 0.323) 1.845 19.266 ( -0.123 0.370 -0.035) 0.391 19.617 ( -0.122 -0.185 -0.330) 0.397 38.492 ( -0.228 -0.265 0.107) 0.365 61.652 ( 3.777 1.063 0.282) 3.934 ======================= Grid point 520 (239/322) ======================= q-point: (-0.46 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( -1.625 2.571 -1.132) 3.245 2.387 ( -1.966 6.008 1.714) 6.550 2.617 ( -2.375 0.522 -1.981) 3.136 3.054 ( -1.944 -1.444 -6.338) 6.784 3.683 ( -7.166 5.453 -2.062) 9.237 3.870 ( 6.974 -8.354 1.517) 10.988 4.326 ( 3.615 0.196 -1.936) 4.106 4.723 ( 0.562 4.979 0.722) 5.062 4.888 ( 1.140 1.679 1.576) 2.569 5.078 ( -2.756 1.515 0.279) 3.157 5.218 ( 4.092 -2.687 1.387) 5.088 5.487 ( -3.401 0.178 2.643) 4.311 6.439 ( 2.762 -2.681 -0.074) 3.850 6.683 ( -1.544 -0.014 -0.157) 1.552 7.899 ( -5.416 -1.777 0.177) 5.702 8.132 ( 4.222 1.216 -0.156) 4.397 9.277 ( 1.526 0.274 -0.726) 1.713 19.265 ( 0.107 -0.336 -0.002) 0.352 19.616 ( 0.197 0.292 -0.233) 0.422 38.494 ( 0.135 0.020 -0.078) 0.157 61.661 ( -3.666 -2.004 -0.533) 4.212 ======================= Grid point 521 (240/322) ======================= q-point: (-0.38 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( -6.496 -0.768 5.601) 8.612 2.206 ( -3.627 11.525 6.317) 13.633 2.544 ( -6.509 2.885 -4.501) 8.423 2.983 ( -6.958 3.400 -12.877) 15.026 3.546 ( -2.393 5.470 -1.789) 6.233 4.053 ( 3.574 -6.006 2.381) 7.384 4.369 ( 8.418 0.956 -3.570) 9.194 4.531 ( -3.265 13.228 -0.607) 13.639 4.818 ( -0.026 6.625 1.012) 6.702 5.091 ( -0.009 -3.656 -1.220) 3.854 5.300 ( 5.100 -1.262 3.477) 6.300 5.478 ( -3.214 -2.868 2.177) 4.826 6.575 ( 4.104 -7.612 0.072) 8.648 6.667 ( -0.908 -1.144 -0.105) 1.464 7.885 ( -11.757 -4.257 1.306) 12.572 8.170 ( 9.212 1.086 0.826) 9.313 9.274 ( 3.395 2.345 -1.038) 4.255 19.280 ( 0.369 -1.050 0.103) 1.118 19.609 ( 0.513 0.755 -0.214) 0.937 38.493 ( 0.461 0.203 -0.181) 0.536 61.667 ( -10.623 -5.145 -1.539) 11.903 ======================= Grid point 522 (241/322) ======================= q-point: (-0.31 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( -10.254 -2.188 10.309) 14.705 1.953 ( -2.908 13.525 11.226) 17.816 2.408 ( -9.110 3.999 -8.229) 12.912 2.809 ( -8.315 6.930 -14.944) 18.453 3.424 ( 0.353 7.510 1.506) 7.668 4.081 ( -3.721 9.966 -0.367) 10.644 4.230 ( -0.914 5.008 -1.515) 5.311 4.473 ( 10.264 0.749 -1.477) 10.397 4.664 ( -0.159 9.150 -2.656) 9.528 5.168 ( -0.377 -4.496 -2.590) 5.202 5.347 ( 4.460 0.178 5.107) 6.783 5.560 ( -2.260 -7.652 1.795) 8.178 6.595 ( -8.123 -0.893 -0.275) 8.176 6.898 ( 14.240 -13.584 -0.777) 19.695 7.867 ( -14.181 -4.851 3.229) 15.332 8.221 ( 10.233 2.348 0.312) 10.504 9.237 ( 3.857 4.812 -0.639) 6.201 19.310 ( 0.724 -1.806 0.343) 1.976 19.596 ( 0.743 1.250 -0.301) 1.485 38.495 ( 0.732 0.100 -0.143) 0.752 61.677 ( -16.192 -8.116 -2.864) 18.337 ======================= Grid point 523 (242/322) ======================= q-point: (-0.23 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( -8.866 2.485 10.265) 13.789 1.733 ( -1.916 9.730 19.565) 21.935 2.246 ( -9.683 3.695 -13.018) 16.640 2.575 ( -8.323 9.154 -11.537) 16.916 3.263 ( -0.551 11.247 8.592) 14.164 3.774 ( -4.950 12.962 -10.180) 17.209 4.219 ( -0.412 0.267 1.921) 1.983 4.404 ( -0.723 10.876 -2.572) 11.199 4.612 ( 12.433 1.194 -4.477) 13.268 5.222 ( -5.702 -3.874 -2.317) 7.273 5.404 ( 7.356 -1.100 3.234) 8.111 5.705 ( -2.947 -10.203 3.462) 11.170 6.541 ( -9.398 -1.159 -0.431) 9.479 7.296 ( 17.261 -14.685 -4.383) 23.083 7.839 ( -14.027 -4.197 7.071) 16.259 8.239 ( 8.655 3.921 -1.133) 9.569 9.159 ( 3.371 6.912 -0.005) 7.690 19.358 ( 1.168 -2.535 0.749) 2.890 19.574 ( 0.775 1.807 -0.484) 2.025 38.502 ( 0.826 -0.174 -0.015) 0.844 61.695 ( -19.798 -10.088 -4.591) 22.689 ======================= Grid point 524 (243/322) ======================= q-point: (-0.15 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( -8.285 11.118 12.056) 18.374 1.593 ( 2.005 6.908 20.304) 21.541 2.122 ( -5.547 0.103 -12.942) 14.081 2.361 ( -8.828 4.544 -5.182) 11.200 3.024 ( -2.907 14.631 15.031) 21.176 3.558 ( -2.803 5.894 -18.579) 19.692 4.193 ( -1.108 8.691 -3.813) 9.555 4.196 ( -0.854 2.697 0.897) 2.968 4.702 ( 15.343 1.133 -2.308) 15.557 5.202 ( -12.531 -2.260 -1.606) 12.834 5.506 ( 9.328 -1.864 1.044) 9.569 5.903 ( -2.138 -13.782 4.727) 14.726 6.490 ( -10.042 -1.948 -0.421) 10.237 7.514 ( 2.351 4.400 -6.645) 8.309 7.921 ( 5.064 -10.624 9.207) 14.943 8.236 ( 2.527 -0.420 -2.467) 3.557 9.047 ( 2.706 7.843 0.297) 8.302 19.421 ( 1.526 -2.915 1.226) 3.511 19.542 ( 0.612 2.193 -0.716) 2.387 38.513 ( 0.678 -0.324 0.088) 0.756 61.708 ( -20.772 -9.582 -6.103) 23.676 ======================= Grid point 525 (244/322) ======================= q-point: (-0.08 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( -4.109 14.854 8.479) 17.591 1.526 ( -0.016 3.877 18.065) 18.476 2.176 ( 4.034 -7.814 -4.113) 9.708 2.261 ( -9.361 -1.317 -1.887) 9.640 2.730 ( -2.858 16.840 18.505) 25.184 3.447 ( -2.428 1.775 -26.732) 26.901 4.055 ( 0.502 4.658 -0.661) 4.732 4.157 ( -0.597 1.650 -0.283) 1.778 4.814 ( 17.335 0.610 -0.584) 17.356 5.106 ( -17.062 -0.721 -1.110) 17.113 5.598 ( 5.623 -1.102 0.186) 5.733 6.190 ( 3.949 -15.929 4.018) 16.897 6.450 ( -11.913 -3.292 0.424) 12.367 7.275 ( -2.692 16.942 -1.364) 17.209 8.083 ( 8.128 1.592 1.470) 8.412 8.390 ( 0.209 -13.922 -0.379) 13.928 8.926 ( 2.024 7.338 0.058) 7.613 19.482 ( 0.963 -1.923 1.565) 2.660 19.510 ( 0.878 1.407 -1.077) 1.977 38.523 ( 0.433 -0.218 0.091) 0.494 61.688 ( -17.291 -5.539 -5.059) 18.848 ======================= Grid point 527 (245/322) ======================= q-point: ( 0.08 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( 6.492 0.000 5.544) 8.537 1.688 ( 13.670 0.000 12.861) 18.769 2.030 ( -10.097 -0.000 -4.530) 11.066 2.374 ( 0.189 0.000 -3.340) 3.345 2.786 ( 17.967 0.000 20.634) 27.360 3.364 ( 7.084 0.000 -26.467) 27.399 3.999 ( -3.222 -0.000 0.498) 3.260 4.139 ( 0.661 0.000 -0.017) 0.661 4.660 ( -17.967 -0.000 -0.160) 17.968 5.216 ( 13.394 0.000 1.622) 13.492 5.541 ( -9.207 -0.000 0.925) 9.253 6.248 ( -6.332 -0.000 4.129) 7.559 6.743 ( 20.017 0.000 -1.726) 20.091 7.054 ( 2.262 0.000 0.011) 2.262 8.005 ( -11.314 -0.000 -0.549) 11.327 8.536 ( -2.251 -0.000 -0.012) 2.251 8.834 ( -1.480 -0.000 -1.605) 2.183 19.487 ( -0.012 -0.000 -0.006) 0.014 19.511 ( -1.869 -0.000 -0.987) 2.114 38.523 ( -0.728 -0.000 -0.033) 0.728 61.744 ( 18.493 0.000 7.355) 19.902 ======================= Grid point 528 (246/322) ======================= q-point: ( 0.15 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( 7.766 -12.775 7.039) 16.525 1.846 ( 9.345 -3.582 18.960) 21.440 1.946 ( 1.029 -0.058 -18.862) 18.890 2.404 ( 4.761 -1.621 -3.650) 6.215 3.008 ( 12.886 -6.095 18.675) 23.494 3.423 ( 10.510 -1.536 -21.781) 24.233 4.003 ( -3.622 -4.003 1.510) 5.605 4.166 ( 0.846 -2.116 0.155) 2.284 4.535 ( -15.367 -1.162 -0.102) 15.411 5.279 ( 3.291 1.513 2.307) 4.294 5.470 ( -4.434 0.888 0.704) 4.577 6.131 ( -3.411 8.376 3.059) 9.547 6.695 ( 15.087 10.782 -0.690) 18.557 7.276 ( 0.496 -9.643 2.882) 10.076 7.946 ( -13.084 -6.134 -3.738) 14.926 8.403 ( 0.080 10.158 -1.614) 10.286 8.894 ( -2.402 -6.359 -0.959) 6.865 19.462 ( -2.168 2.033 0.038) 2.972 19.510 ( -0.494 -1.532 -1.073) 1.934 38.513 ( -1.053 0.320 0.206) 1.120 61.885 ( 25.110 5.291 7.153) 26.640 ======================= Grid point 529 (247/322) ======================= q-point: ( 0.23 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( 7.651 -10.332 9.212) 15.816 1.980 ( 0.414 -10.746 -11.251) 15.563 2.096 ( 16.457 -5.266 0.023) 17.279 2.475 ( 10.654 0.591 -1.985) 10.854 3.220 ( 4.820 -6.795 8.963) 12.236 3.543 ( 11.220 -5.133 -10.026) 15.899 4.109 ( -2.487 -9.841 4.439) 11.079 4.211 ( -0.133 -1.640 0.969) 1.909 4.456 ( -11.007 -1.832 -0.510) 11.170 5.222 ( -8.208 1.573 2.705) 8.784 5.448 ( 3.311 1.941 -0.642) 3.891 5.932 ( -1.597 10.781 1.755) 11.039 6.665 ( 11.863 4.919 0.183) 12.843 7.247 ( -11.948 6.585 6.613) 15.161 8.038 ( -7.046 -11.332 -7.502) 15.309 8.235 ( 4.656 9.254 -3.596) 10.966 8.989 ( -3.738 -6.622 0.569) 7.626 19.401 ( -2.104 2.531 -0.058) 3.292 19.538 ( -0.546 -1.946 -0.802) 2.174 38.497 ( -1.123 0.428 0.422) 1.274 61.957 ( 25.307 9.821 5.048) 27.611 ======================= Grid point 530 (248/322) ======================= q-point: ( 0.31 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( 9.333 -9.519 1.382) 13.403 2.176 ( 5.281 -7.594 -18.622) 20.793 2.333 ( 15.180 -5.491 2.566) 16.345 2.554 ( 13.244 0.476 5.813) 14.472 3.342 ( -0.875 -5.175 -0.771) 5.305 3.796 ( 10.234 -13.149 2.275) 16.817 4.197 ( -3.459 1.789 2.168) 4.457 4.308 ( -3.614 -12.337 3.768) 13.396 4.432 ( -4.325 -2.998 0.696) 5.309 5.133 ( -8.637 0.723 3.154) 9.223 5.429 ( 1.440 2.204 -2.958) 3.959 5.733 ( -1.723 9.622 1.246) 9.854 6.685 ( 9.214 2.578 0.384) 9.576 6.973 ( -12.884 11.063 3.762) 17.393 8.082 ( -8.383 0.874 -0.530) 8.445 8.198 ( 8.738 -0.589 -9.461) 12.893 9.072 ( -4.775 -6.063 1.799) 7.925 19.343 ( -1.467 2.150 -0.066) 2.603 19.567 ( -0.649 -1.739 -0.613) 1.955 38.483 ( -0.858 0.176 0.521) 1.019 61.951 ( 21.705 11.779 3.051) 24.883 ======================= Grid point 531 (249/322) ======================= q-point: ( 0.38 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( 12.294 -3.185 -5.857) 13.986 2.276 ( 4.269 -3.542 -19.278) 20.060 2.507 ( 14.942 -0.721 1.273) 15.014 2.716 ( 11.098 -5.437 13.082) 17.996 3.431 ( 0.031 -5.924 -0.468) 5.943 4.065 ( -6.934 -0.125 7.461) 10.186 4.156 ( 4.185 -8.791 -0.567) 9.752 4.407 ( -1.177 -4.061 -2.893) 5.123 4.582 ( -1.341 -12.606 6.086) 14.063 5.073 ( -5.427 -0.116 3.377) 6.393 5.375 ( -3.412 2.933 -4.389) 6.286 5.571 ( -1.472 6.365 1.264) 6.654 6.694 ( -5.361 8.852 0.545) 10.363 6.712 ( 3.524 2.617 0.515) 4.419 7.983 ( -8.529 1.983 -0.516) 8.772 8.249 ( 8.209 1.856 -6.898) 10.882 9.139 ( -4.564 -5.269 1.932) 7.233 19.301 ( -0.861 1.496 -0.054) 1.727 19.589 ( -0.523 -1.334 -0.484) 1.513 38.479 ( -0.383 -0.215 0.499) 0.665 61.893 ( 16.154 11.362 1.742) 19.826 ======================= Grid point 532 (250/322) ======================= q-point: ( 0.46 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( 12.835 9.978 -12.740) 20.654 2.391 ( 1.938 -5.837 -8.564) 10.544 2.615 ( 9.632 0.222 1.684) 9.781 2.910 ( 7.783 -5.218 8.708) 12.792 3.572 ( 4.355 -7.629 1.629) 8.934 3.909 ( -9.630 6.496 3.601) 12.162 4.297 ( -0.520 -3.031 -1.364) 3.365 4.555 ( 2.040 -10.028 0.938) 10.276 4.787 ( -1.013 -9.297 2.208) 9.609 5.075 ( 0.486 -2.379 2.718) 3.645 5.255 ( -6.587 4.615 -2.897) 8.549 5.488 ( -2.893 1.618 1.809) 3.777 6.512 ( -2.300 5.971 -0.580) 6.425 6.713 ( 2.751 1.717 0.125) 3.245 7.876 ( -11.882 0.623 -0.470) 11.907 8.255 ( 10.052 4.378 -4.083) 11.699 9.199 ( -2.683 -4.341 1.045) 5.209 19.275 ( -0.420 0.816 -0.039) 0.919 19.606 ( -0.259 -0.875 -0.382) 0.989 38.485 ( 0.088 -0.401 0.360) 0.546 61.806 ( 9.447 9.548 0.897) 13.461 ======================= Grid point 533 (251/322) ======================= q-point: (-0.46 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.989 ( 10.029 11.364 -8.369) 17.313 2.448 ( 1.078 0.455 -2.072) 2.379 2.641 ( 2.732 2.782 0.185) 3.904 3.017 ( 0.977 -1.472 0.036) 1.767 3.722 ( -6.828 5.421 0.623) 8.740 3.774 ( 5.881 -8.356 3.427) 10.777 4.338 ( 3.035 -1.637 -2.162) 4.070 4.714 ( -0.324 -5.812 0.591) 5.851 4.888 ( -0.504 -2.318 -0.022) 2.372 5.105 ( -3.646 3.827 -1.481) 5.489 5.180 ( 1.577 -4.154 1.557) 4.708 5.448 ( -5.748 -0.383 4.178) 7.116 6.446 ( 2.175 1.089 -0.857) 2.579 6.692 ( 0.039 1.749 0.111) 1.753 7.776 ( -14.198 -1.308 -0.003) 14.258 8.255 ( 10.748 4.104 -1.798) 11.644 9.257 ( 0.025 -3.101 -0.032) 3.102 19.264 ( -0.127 0.152 -0.022) 0.199 19.616 ( 0.041 -0.398 -0.299) 0.499 38.494 ( 0.425 -0.259 0.151) 0.520 61.702 ( 2.303 6.976 0.201) 7.349 ======================= Grid point 534 (252/322) ======================= q-point: (-0.38 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( 6.035 9.311 -1.479) 11.194 2.383 ( 0.676 7.719 4.363) 8.893 2.560 ( -4.494 4.630 -2.844) 7.051 2.978 ( -4.641 3.011 -9.236) 10.767 3.601 ( -2.761 3.331 -0.467) 4.352 3.971 ( 4.776 -7.018 3.476) 9.173 4.412 ( 7.412 -2.221 -2.686) 8.191 4.714 ( -1.645 7.263 -1.419) 7.581 4.876 ( -2.920 0.668 0.236) 3.005 5.036 ( -2.338 -0.397 0.597) 2.446 5.283 ( 3.562 -4.043 0.200) 5.392 5.419 ( -5.531 -1.030 4.902) 7.463 6.498 ( 2.931 -3.782 -0.672) 4.832 6.664 ( 1.078 0.698 0.238) 1.307 7.704 ( -14.588 -3.516 0.943) 15.036 8.279 ( 9.916 2.270 -0.601) 10.190 9.306 ( 2.090 -1.153 -0.546) 2.449 19.267 ( 0.086 -0.546 0.018) 0.553 19.620 ( 0.323 0.075 -0.266) 0.425 38.500 ( 0.644 0.021 -0.025) 0.645 61.594 ( -4.254 3.830 -0.483) 5.745 ======================= Grid point 535 (253/322) ======================= q-point: (-0.31 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( 1.709 5.924 5.121) 8.015 2.200 ( 0.531 12.902 9.812) 16.218 2.415 ( -7.966 5.014 -6.708) 11.558 2.838 ( -6.756 5.319 -15.121) 17.395 3.533 ( 0.625 3.867 -0.180) 3.921 4.099 ( 1.478 -3.448 3.549) 5.164 4.440 ( -2.783 14.975 -2.962) 15.517 4.536 ( 8.117 -1.161 -1.071) 8.269 4.805 ( -1.066 5.965 0.015) 6.059 5.062 ( -3.995 -4.121 -1.452) 5.920 5.375 ( 3.271 -1.916 2.621) 4.609 5.428 ( -3.121 -4.407 2.432) 5.923 6.530 ( -5.506 -0.368 -0.139) 5.520 6.790 ( 11.927 -9.364 -0.129) 15.164 7.669 ( -13.863 -4.754 1.973) 14.787 8.323 ( 8.324 1.074 -0.486) 8.407 9.322 ( 2.672 1.590 -0.345) 3.128 19.285 ( 0.285 -1.335 0.131) 1.372 19.617 ( 0.536 0.563 -0.328) 0.844 38.504 ( 0.781 0.158 -0.080) 0.801 61.501 ( -9.086 0.245 -1.124) 9.159 ======================= Grid point 536 (254/322) ======================= q-point: (-0.23 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( -1.449 3.296 10.431) 11.035 1.985 ( 3.119 13.028 14.319) 19.609 2.242 ( -8.449 5.210 -10.526) 14.468 2.649 ( -7.128 7.201 -17.039) 19.823 3.449 ( 1.663 7.167 3.663) 8.219 4.004 ( -4.520 15.735 -3.147) 16.671 4.223 ( -0.150 1.329 1.697) 2.161 4.577 ( 0.619 7.438 1.161) 7.554 4.719 ( 9.950 1.414 -4.840) 11.155 5.086 ( -8.827 -3.899 -1.815) 9.819 5.431 ( 4.670 -1.893 2.123) 5.468 5.524 ( -2.561 -7.226 2.788) 8.158 6.477 ( -5.789 0.552 0.092) 5.816 7.137 ( 14.840 -16.128 -1.152) 21.947 7.649 ( -13.194 -4.316 3.135) 14.232 8.357 ( 6.437 2.007 -1.197) 6.848 9.285 ( 2.002 4.517 0.216) 4.946 19.321 ( 0.476 -2.219 0.361) 2.298 19.606 ( 0.607 1.141 -0.510) 1.389 38.508 ( 0.778 0.057 -0.022) 0.781 61.444 ( -11.214 -3.257 -1.564) 11.782 ======================= Grid point 537 (255/322) ======================= q-point: (-0.15 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( -3.256 4.164 15.095) 15.994 1.820 ( 5.379 11.427 17.677) 21.725 2.100 ( -3.115 2.206 -14.567) 15.059 2.425 ( -6.888 8.991 -14.516) 18.412 3.286 ( 0.500 12.861 11.719) 17.406 3.686 ( -2.702 12.454 -12.351) 17.747 4.219 ( -0.129 0.758 1.755) 1.916 4.370 ( -2.131 11.649 -1.295) 11.913 4.822 ( 13.545 -0.698 -2.656) 13.821 5.052 ( -13.232 -2.299 -1.564) 13.521 5.524 ( 5.220 -2.837 0.420) 5.956 5.659 ( -2.783 -10.371 4.292) 11.564 6.428 ( -3.881 0.421 0.171) 3.907 7.551 ( 13.807 -7.189 -6.973) 17.057 7.638 ( -11.439 -13.381 8.736) 19.652 8.337 ( 3.830 4.783 -2.352) 6.563 9.194 ( 0.849 6.634 0.588) 6.714 19.374 ( 0.530 -3.046 0.690) 3.167 19.583 ( 0.508 1.813 -0.814) 2.051 38.514 ( 0.546 -0.144 0.036) 0.565 61.439 ( -9.804 -5.687 -1.355) 11.415 ======================= Grid point 538 (256/322) ======================= q-point: (-0.08 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( -2.335 11.054 14.410) 18.311 1.682 ( 4.549 9.292 13.520) 17.024 2.107 ( 5.036 -1.591 -7.469) 9.147 2.222 ( -5.051 3.548 -9.360) 11.213 3.042 ( 0.416 15.429 17.033) 22.986 3.486 ( -0.327 6.774 -21.105) 22.168 4.163 ( -1.682 8.355 -1.088) 8.592 4.192 ( 0.063 2.121 0.688) 2.231 4.933 ( 0.104 -1.670 -0.374) 1.714 4.968 ( -1.806 0.418 -1.170) 2.192 5.590 ( -0.567 -2.124 0.378) 2.230 5.890 ( 0.451 -15.368 4.274) 15.957 6.405 ( 0.083 0.201 0.177) 0.281 7.483 ( -4.207 7.209 0.791) 8.384 8.041 ( 6.878 -19.362 0.957) 20.570 8.243 ( -0.950 5.842 -3.510) 6.882 9.068 ( -0.282 7.378 0.387) 7.394 19.437 ( 0.114 -3.295 0.984) 3.441 19.548 ( 0.397 2.173 -1.226) 2.527 38.521 ( 0.130 -0.263 -0.010) 0.293 61.491 ( -3.914 -6.011 0.465) 7.187 ======================= Grid point 541 (257/322) ======================= q-point: ( 0.15 0.15 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( 10.505 0.000 4.245) 11.331 1.853 ( -4.409 -0.000 12.961) 13.690 2.015 ( 17.646 0.000 -13.908) 22.468 2.370 ( 0.377 0.000 -3.106) 3.129 3.116 ( 16.518 0.000 18.511) 24.809 3.506 ( 17.666 0.000 -20.419) 27.000 3.930 ( -5.351 -0.000 0.388) 5.365 4.150 ( 0.622 0.000 0.156) 0.641 4.409 ( -12.697 -0.000 0.242) 12.699 5.247 ( -12.622 -0.000 2.248) 12.821 5.501 ( 6.946 0.000 0.992) 7.016 6.173 ( -5.064 -0.000 2.462) 5.630 7.034 ( 14.757 0.000 1.258) 14.810 7.106 ( 4.220 0.000 0.033) 4.220 7.755 ( -18.062 -0.000 -1.424) 18.118 8.484 ( -4.216 -0.000 -0.014) 4.216 8.812 ( -0.137 -0.000 -3.653) 3.656 19.464 ( -3.359 -0.000 -1.091) 3.531 19.487 ( -0.002 -0.000 0.032) 0.032 38.508 ( -0.994 -0.000 0.627) 1.175 62.169 ( 29.319 0.000 7.495) 30.262 ======================= Grid point 542 (258/322) ======================= q-point: ( 0.23 0.15 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( 10.886 -11.908 5.685) 17.106 1.845 ( -0.127 -2.588 -2.250) 3.432 2.162 ( 16.698 -1.919 -4.789) 17.477 2.454 ( 3.063 -7.206 -3.203) 8.460 3.251 ( 11.526 0.417 12.379) 16.919 3.626 ( 19.887 1.375 -13.734) 24.208 3.940 ( -4.938 -5.889 2.528) 8.091 4.176 ( 0.133 -1.921 0.282) 1.946 4.342 ( -7.833 -1.924 0.559) 8.085 5.131 ( -15.626 -0.202 2.051) 15.761 5.538 ( 6.351 2.379 0.379) 6.792 6.070 ( -5.311 6.489 1.765) 8.570 6.911 ( 11.508 11.123 0.542) 16.014 7.245 ( -7.372 0.684 6.475) 9.835 7.736 ( -10.007 -12.289 -5.463) 16.763 8.388 ( -1.277 5.636 -1.972) 6.107 8.859 ( -1.191 -4.694 -2.653) 5.522 19.419 ( -3.012 1.587 -0.558) 3.450 19.502 ( -0.303 -1.427 -0.317) 1.493 38.498 ( -0.808 0.404 0.907) 1.281 62.343 ( 27.939 7.227 5.840) 29.444 ======================= Grid point 543 (259/322) ======================= q-point: ( 0.31 0.15 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( 10.093 -8.598 4.330) 13.948 2.013 ( 6.875 -13.108 -10.283) 18.023 2.336 ( 12.652 -4.828 -0.560) 13.554 2.630 ( 9.118 -6.074 -1.136) 11.015 3.309 ( 5.135 0.863 2.172) 5.642 3.764 ( 17.122 -2.080 -3.827) 17.668 4.062 ( -5.016 -10.801 4.329) 12.671 4.189 ( -2.344 -0.107 1.696) 2.895 4.356 ( -1.479 -2.879 1.045) 3.402 5.028 ( -14.143 -1.636 2.357) 14.431 5.512 ( 2.815 4.368 -1.649) 5.452 5.884 ( -4.755 8.994 1.663) 10.308 6.843 ( 9.786 6.385 0.735) 11.708 7.052 ( -13.566 8.445 5.083) 16.769 7.887 ( -9.836 -9.690 -3.694) 14.293 8.312 ( 5.869 3.177 -4.780) 8.209 8.932 ( -3.318 -5.318 -0.471) 6.286 19.365 ( -2.250 1.803 -0.277) 2.896 19.528 ( -0.479 -1.777 -0.387) 1.881 38.485 ( -0.468 0.483 0.925) 1.144 62.371 ( 23.765 12.741 3.753) 27.225 ======================= Grid point 544 (260/322) ======================= q-point: ( 0.38 0.15 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( 9.444 -9.357 -2.005) 13.445 2.261 ( 9.466 -5.760 -13.440) 17.419 2.556 ( 11.603 -8.359 1.750) 14.407 2.793 ( 14.673 -0.752 4.629) 15.404 3.343 ( 1.887 -2.634 -1.148) 3.438 3.958 ( 7.142 -6.776 2.885) 10.259 4.130 ( -3.603 0.880 0.030) 3.710 4.267 ( -0.886 -10.926 0.879) 10.997 4.405 ( -1.403 -4.040 5.106) 6.661 4.974 ( -10.869 -3.183 3.401) 11.825 5.426 ( -1.370 5.190 -4.161) 6.792 5.691 ( -3.679 8.275 1.867) 9.246 6.798 ( -9.598 8.711 1.842) 13.092 6.817 ( 6.864 4.339 0.622) 8.144 7.885 ( -13.561 -1.888 -1.603) 13.785 8.352 ( 10.720 0.531 -5.764) 12.183 8.999 ( -4.761 -5.727 1.076) 7.525 19.319 ( -1.427 1.516 -0.138) 2.086 19.556 ( -0.481 -1.719 -0.371) 1.823 38.478 ( -0.004 0.164 0.791) 0.808 62.285 ( 18.562 15.263 2.201) 24.132 ======================= Grid point 545 (261/322) ======================= q-point: ( 0.46 0.15 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.263 ( 6.831 -8.052 -3.080) 10.999 2.340 ( 9.407 2.797 -16.336) 19.057 2.762 ( 16.521 0.266 -3.061) 16.804 2.912 ( 9.636 -1.464 12.010) 15.468 3.460 ( 3.500 -7.883 1.279) 8.720 3.954 ( -7.685 5.436 5.752) 11.032 4.200 ( 1.419 -6.840 -1.491) 7.143 4.422 ( 2.395 -5.956 -0.972) 6.492 4.557 ( -3.030 -13.470 3.532) 14.251 4.983 ( -6.415 -5.207 4.327) 9.327 5.295 ( -4.949 5.707 -4.628) 8.859 5.540 ( -2.712 5.748 1.779) 6.600 6.603 ( -4.068 6.524 -0.339) 7.696 6.789 ( 3.942 3.685 0.573) 5.427 7.777 ( -14.524 0.521 -1.031) 14.570 8.408 ( 11.317 2.836 -4.365) 12.457 9.073 ( -4.201 -6.344 1.182) 7.701 19.287 ( -0.778 1.051 -0.064) 1.309 19.581 ( -0.316 -1.441 -0.338) 1.514 38.481 ( 0.421 -0.231 0.588) 0.759 62.131 ( 12.726 15.489 1.256) 20.085 ======================= Grid point 546 (262/322) ======================= q-point: ( 0.54 0.15 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.286 ( 11.785 9.827 -13.844) 20.667 2.415 ( 2.463 -4.592 -3.225) 6.129 2.792 ( 12.167 8.059 0.486) 14.602 3.015 ( 3.252 -1.574 5.592) 6.658 3.663 ( 4.323 -8.935 3.868) 10.653 3.779 ( -5.831 6.231 3.852) 9.363 4.304 ( 1.758 -4.175 -1.204) 4.687 4.562 ( -1.400 -8.597 0.082) 8.711 4.768 ( -0.982 -9.938 -1.427) 10.088 5.070 ( -4.886 -7.065 3.448) 9.256 5.152 ( -2.576 4.327 -2.909) 5.816 5.434 ( -4.160 3.423 2.994) 6.164 6.498 ( 0.160 3.281 -1.056) 3.450 6.748 ( 2.017 3.434 0.563) 4.022 7.648 ( -14.871 0.286 -0.505) 14.882 8.420 ( 10.184 4.664 -2.520) 11.481 9.165 ( -1.744 -6.205 0.349) 6.455 19.268 ( -0.348 0.537 -0.028) 0.641 19.602 ( -0.086 -1.040 -0.297) 1.085 38.492 ( 0.659 -0.372 0.347) 0.832 61.937 ( 6.568 14.250 0.633) 15.703 ======================= Grid point 547 (263/322) ======================= q-point: (-0.38 0.15 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.155 ( 12.254 13.372 -8.634) 20.088 2.464 ( 0.530 0.183 -1.150) 1.280 2.675 ( 0.898 10.547 2.550) 10.888 3.008 ( -0.756 3.485 -3.478) 4.981 3.632 ( -3.926 3.054 1.587) 5.221 3.886 ( 5.959 -7.424 4.358) 10.470 4.404 ( 5.201 -4.151 -1.066) 6.740 4.693 ( -2.082 -6.837 -1.174) 7.242 4.855 ( -3.606 -0.140 -2.312) 4.286 5.022 ( -4.950 0.727 0.785) 5.064 5.229 ( 3.264 -5.434 -0.238) 6.343 5.360 ( -5.872 0.299 4.941) 7.680 6.479 ( 1.205 -0.323 -1.001) 1.600 6.709 ( 2.957 2.396 0.609) 3.854 7.541 ( -14.070 -1.570 0.236) 14.159 8.408 ( 8.133 4.099 -1.360) 9.208 9.263 ( 0.588 -4.725 -0.228) 4.767 19.262 ( -0.091 -0.029 -0.012) 0.097 19.617 ( 0.128 -0.582 -0.274) 0.656 38.504 ( 0.697 -0.223 0.122) 0.742 61.728 ( 0.919 11.845 0.123) 11.881 ======================= Grid point 548 (264/322) ======================= q-point: (-0.31 0.15 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.991 ( 10.362 13.518 -2.011) 17.150 2.419 ( -0.127 4.787 1.262) 4.952 2.457 ( -5.092 10.746 1.649) 12.005 2.883 ( -3.979 6.642 -10.990) 13.444 3.581 ( -0.175 1.568 0.118) 1.582 4.042 ( 3.126 -5.056 3.759) 7.033 4.535 ( 7.860 -4.267 -0.707) 8.971 4.668 ( -3.368 10.441 -1.594) 11.086 4.806 ( -5.731 -3.573 -0.032) 6.754 4.998 ( -2.580 0.542 1.196) 2.895 5.328 ( 1.827 -3.588 -0.994) 4.147 5.357 ( -2.421 -3.028 3.653) 5.327 6.490 ( -2.373 -0.468 -0.360) 2.445 6.753 ( 7.930 -3.534 0.339) 8.688 7.487 ( -11.632 -3.814 0.850) 12.271 8.406 ( 5.858 2.130 -1.139) 6.337 9.334 ( 1.368 -2.037 -0.097) 2.456 19.268 ( 0.057 -0.706 0.022) 0.709 19.624 ( 0.276 -0.103 -0.313) 0.430 38.511 ( 0.602 -0.002 -0.013) 0.602 61.533 ( -2.995 8.301 -0.265) 8.829 ======================= Grid point 549 (265/322) ======================= q-point: (-0.23 0.15 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( 7.313 10.499 3.078) 13.160 2.239 ( -3.189 8.964 0.708) 9.541 2.295 ( 0.050 8.961 4.088) 9.850 2.699 ( -6.128 7.014 -16.354) 18.820 3.549 ( 0.923 2.757 0.258) 2.919 4.122 ( 0.725 -0.837 2.563) 2.792 4.379 ( -3.364 15.737 0.379) 16.097 4.661 ( 5.447 -0.995 2.308) 5.999 4.796 ( -0.688 0.889 -1.793) 2.116 4.963 ( -5.857 -0.906 -1.060) 6.021 5.404 ( 0.173 -4.100 0.877) 4.196 5.419 ( 1.411 -3.525 1.012) 3.930 6.460 ( -2.622 1.011 0.191) 2.816 6.963 ( 7.123 -12.065 0.524) 14.021 7.491 ( -6.683 -4.413 0.519) 8.025 8.418 ( 3.617 0.808 -1.657) 4.059 9.351 ( 0.653 1.319 0.526) 1.563 19.289 ( 0.125 -1.527 0.116) 1.537 19.624 ( 0.305 0.426 -0.448) 0.689 38.514 ( 0.386 0.076 -0.036) 0.395 61.391 ( -3.965 3.872 -0.351) 5.553 ======================= Grid point 550 (266/322) ======================= q-point: (-0.15 0.15 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( 5.023 7.388 7.902) 11.928 2.108 ( 1.933 4.100 -2.480) 5.167 2.115 ( 2.187 11.986 7.155) 14.130 2.501 ( -6.148 7.170 -18.238) 20.538 3.481 ( 0.865 6.213 3.480) 7.173 3.944 ( -1.765 17.902 -1.965) 18.095 4.226 ( -0.241 0.406 2.071) 2.124 4.566 ( -1.116 10.621 2.167) 10.897 4.838 ( -4.328 -3.708 -0.520) 5.723 4.952 ( 2.152 -1.220 -2.630) 3.611 5.481 ( -0.809 -3.681 0.613) 3.819 5.513 ( 2.357 -5.957 1.516) 6.583 6.428 ( -0.092 1.050 0.311) 1.099 7.261 ( -5.348 -17.229 3.785) 18.433 7.551 ( 6.227 -4.012 -3.061) 8.015 8.415 ( 1.242 1.857 -2.666) 3.478 9.298 ( -0.743 4.447 1.185) 4.662 19.326 ( 0.041 -2.423 0.282) 2.440 19.612 ( 0.178 1.074 -0.687) 1.287 38.515 ( 0.003 -0.022 -0.018) 0.029 61.339 ( -1.128 -0.734 0.195) 1.360 ======================= Grid point 551 (267/322) ======================= q-point: (-0.08 0.15 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( 2.686 7.581 13.690) 15.878 1.936 ( 5.835 11.228 5.738) 13.894 2.131 ( 9.583 -1.447 -6.682) 11.772 2.292 ( -4.928 8.675 -14.001) 17.192 3.328 ( 1.011 12.384 11.506) 16.935 3.635 ( 0.100 12.713 -10.848) 16.713 4.223 ( 0.180 0.767 1.329) 1.545 4.341 ( -1.359 12.194 1.385) 12.348 4.795 ( -14.929 -1.543 -0.096) 15.009 5.045 ( 11.396 -1.685 -0.808) 11.548 5.518 ( -4.701 -2.731 1.056) 5.539 5.685 ( 3.728 -9.955 1.617) 10.752 6.427 ( 3.677 0.417 0.231) 3.708 7.411 ( -14.773 -8.142 6.868) 18.213 7.796 ( 14.259 -12.780 -6.615) 20.258 8.347 ( -1.713 5.336 -3.591) 6.657 9.187 ( -2.036 6.470 1.381) 6.922 19.377 ( -0.391 -3.130 0.453) 3.186 19.585 ( -0.034 1.766 -0.997) 2.028 38.515 ( -0.499 -0.199 -0.038) 0.539 61.406 ( 5.791 -4.533 1.826) 7.577 ======================= Grid point 555 (268/322) ======================= q-point: ( 0.23 0.23 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( 11.600 0.000 3.594) 12.144 1.843 ( 2.838 0.000 1.131) 3.055 2.272 ( 15.501 0.000 -8.622) 17.737 2.372 ( 0.692 0.000 -3.201) 3.275 3.368 ( 9.657 0.000 12.091) 15.475 3.826 ( 26.205 0.000 -12.574) 29.065 3.835 ( -6.408 -0.000 0.493) 6.427 4.158 ( 0.236 0.000 0.145) 0.277 4.277 ( -3.543 -0.000 2.561) 4.371 4.996 ( -16.906 -0.000 1.778) 17.000 5.607 ( 4.326 0.000 0.270) 4.335 6.079 ( -7.335 -0.000 1.380) 7.464 7.158 ( -3.319 -0.000 7.808) 8.484 7.186 ( 5.573 0.000 0.049) 5.573 7.494 ( -10.134 -0.000 -4.480) 11.080 8.404 ( -5.593 -0.000 -0.010) 5.593 8.816 ( 1.889 0.000 -5.354) 5.678 19.406 ( -3.395 -0.000 -0.810) 3.490 19.487 ( 0.010 0.000 0.060) 0.060 38.498 ( -0.477 -0.000 1.281) 1.367 62.638 ( 25.779 0.000 5.138) 26.286 ======================= Grid point 556 (269/322) ======================= q-point: ( 0.31 0.23 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( 11.399 -12.066 4.664) 17.242 1.894 ( 6.840 -2.939 -3.315) 8.150 2.371 ( 10.266 -1.489 -4.726) 11.399 2.501 ( 4.500 -10.416 -5.512) 12.615 3.410 ( 5.617 2.831 6.059) 8.734 3.852 ( -6.424 -6.666 1.815) 9.434 3.964 ( 22.688 4.741 -7.430) 24.340 4.174 ( 0.355 -0.654 1.658) 1.817 4.308 ( 2.773 -3.020 2.556) 4.831 4.881 ( -14.861 -1.441 1.909) 15.053 5.600 ( 0.936 3.157 -0.999) 3.441 5.968 ( -7.556 5.178 1.557) 9.291 7.048 ( -5.063 5.774 5.995) 9.743 7.088 ( -1.590 8.875 0.713) 9.044 7.614 ( -5.098 -12.266 -3.004) 13.619 8.355 ( -2.400 0.238 -1.238) 2.711 8.847 ( 0.690 -2.185 -4.108) 4.704 19.370 ( -2.784 0.969 -0.515) 2.992 19.498 ( -0.143 -1.118 -0.062) 1.129 38.493 ( -0.139 0.426 1.303) 1.378 62.757 ( 21.567 8.164 3.610) 23.341 ======================= Grid point 557 (270/322) ======================= q-point: ( 0.38 0.23 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( 10.527 -6.485 1.277) 12.430 2.132 ( 9.321 -14.977 -5.400) 18.449 2.494 ( 7.793 -4.949 -2.271) 9.507 2.757 ( 7.121 -12.277 -2.952) 14.496 3.400 ( 5.571 3.105 1.720) 6.606 3.932 ( -3.450 -5.592 1.351) 6.708 4.059 ( 9.750 -2.279 -4.748) 11.082 4.184 ( 2.280 0.395 3.968) 4.594 4.380 ( 3.154 -0.667 4.173) 5.274 4.824 ( -10.742 -3.321 2.941) 11.622 5.510 ( -2.487 5.489 -3.154) 6.802 5.799 ( -5.932 7.154 2.138) 9.536 6.854 ( -11.653 6.372 3.068) 13.631 6.980 ( 7.040 7.225 0.797) 10.119 7.715 ( -10.546 -5.507 -1.793) 12.032 8.389 ( 4.470 -3.279 -2.761) 6.194 8.885 ( -2.171 -2.942 -1.712) 4.038 19.330 ( -1.902 1.155 -0.270) 2.241 19.522 ( -0.273 -1.599 -0.165) 1.630 38.486 ( 0.260 0.455 1.069) 1.191 62.708 ( 17.155 14.106 2.167) 22.316 ======================= Grid point 558 (271/322) ======================= q-point: ( 0.46 0.23 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.167 ( 7.437 -7.183 -1.903) 10.513 2.391 ( 9.542 -4.432 -10.333) 14.747 2.707 ( 6.638 -11.942 1.942) 13.800 3.015 ( 11.214 -6.613 1.205) 13.074 3.411 ( 6.922 0.253 0.347) 6.936 3.984 ( -2.448 0.093 2.932) 3.820 4.118 ( 0.251 -2.091 -1.382) 2.519 4.297 ( 2.522 -10.379 -0.308) 10.685 4.395 ( -0.074 0.006 5.180) 5.180 4.830 ( -7.630 -4.824 4.385) 10.035 5.365 ( -4.667 6.403 -4.166) 8.952 5.634 ( -3.707 6.729 1.764) 7.882 6.673 ( -6.416 5.584 0.475) 8.519 6.913 ( 5.028 5.779 0.893) 7.712 7.665 ( -13.015 -0.509 -1.256) 13.085 8.502 ( 9.139 -2.113 -3.370) 9.967 8.924 ( -4.782 -5.045 0.155) 6.953 19.298 ( -1.110 0.997 -0.125) 1.497 19.550 ( -0.252 -1.691 -0.210) 1.723 38.485 ( 0.614 0.123 0.761) 0.986 62.541 ( 12.650 17.261 1.212) 21.434 ======================= Grid point 559 (272/322) ======================= q-point: ( 0.54 0.23 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.327 ( 2.838 -5.670 -3.338) 7.166 2.461 ( 8.399 2.089 -10.792) 13.834 2.958 ( 6.553 -7.756 0.523) 10.167 3.112 ( 13.621 7.825 3.300) 16.052 3.539 ( 5.326 -7.865 2.294) 9.772 3.865 ( -4.787 7.388 5.677) 10.475 4.215 ( 1.181 -6.238 -1.505) 6.525 4.418 ( -4.235 -5.437 3.991) 7.964 4.542 ( 2.452 -12.849 -4.172) 13.730 4.884 ( -7.686 -6.992 4.704) 11.406 5.213 ( -3.477 5.386 -3.037) 7.094 5.499 ( -2.595 5.731 1.374) 6.439 6.553 ( -2.347 3.734 -0.607) 4.452 6.850 ( 3.691 5.045 0.862) 6.311 7.549 ( -13.011 1.156 -0.785) 13.086 8.567 ( 9.184 2.907 -2.617) 9.982 9.009 ( -3.969 -8.180 0.312) 9.097 19.276 ( -0.537 0.709 -0.049) 0.891 19.577 ( -0.135 -1.514 -0.220) 1.536 38.493 ( 0.760 -0.220 0.462) 0.916 62.299 ( 7.880 18.227 0.658) 19.868 ======================= Grid point 560 (273/322) ======================= q-point: ( 0.62 0.23 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.390 ( 3.055 1.401 -8.888) 9.503 2.457 ( 4.633 2.170 -3.848) 6.401 2.971 ( 6.135 16.285 5.323) 18.198 3.064 ( 4.715 1.115 -3.071) 5.736 3.644 ( -3.703 0.828 2.929) 4.793 3.818 ( 5.535 -4.905 4.678) 8.750 4.336 ( 1.732 -6.378 0.500) 6.627 4.523 ( -2.781 -8.045 -0.531) 8.529 4.757 ( 0.107 -8.479 -3.598) 9.212 4.938 ( -9.341 -4.888 2.487) 10.832 5.158 ( 1.198 -1.973 0.041) 2.308 5.385 ( -1.990 4.715 1.544) 5.346 6.494 ( -0.614 1.583 -0.610) 1.804 6.796 ( 3.743 3.952 0.777) 5.498 7.430 ( -11.270 0.659 -0.219) 11.291 8.548 ( 5.998 5.019 -1.529) 7.969 9.143 ( -0.944 -8.148 -0.276) 8.207 19.264 ( -0.194 0.346 -0.020) 0.397 19.601 ( -0.004 -1.155 -0.222) 1.177 38.504 ( 0.656 -0.313 0.203) 0.754 62.017 ( 3.351 17.378 0.293) 17.700 ======================= Grid point 561 (274/322) ======================= q-point: (-0.31 0.23 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.314 ( 8.326 10.310 -7.587) 15.270 2.432 ( -3.602 2.098 -2.343) 4.782 2.692 ( 0.432 15.268 5.942) 16.389 2.994 ( 0.396 7.709 -6.323) 9.978 3.601 ( -0.557 1.218 1.104) 1.735 3.976 ( 3.897 -5.770 3.291) 7.701 4.486 ( 4.607 -6.934 1.944) 8.549 4.633 ( -5.679 -7.379 -1.487) 9.429 4.776 ( -4.124 3.584 -1.151) 5.584 4.970 ( -1.814 -3.274 2.082) 4.283 5.259 ( -1.073 -6.088 2.406) 6.634 5.319 ( 1.931 1.302 -1.681) 2.873 6.474 ( -0.948 0.173 -0.132) 0.973 6.780 ( 3.884 0.927 0.572) 4.034 7.361 ( -6.880 -1.564 0.160) 7.057 8.497 ( 3.057 4.070 -1.280) 5.249 9.270 ( 0.301 -5.692 -0.233) 5.705 19.261 ( -0.026 -0.133 -0.014) 0.136 19.618 ( 0.081 -0.700 -0.255) 0.750 38.513 ( 0.381 -0.176 0.030) 0.421 61.736 ( 0.228 14.681 0.046) 14.683 ======================= Grid point 562 (275/322) ======================= q-point: (-0.23 0.23 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( 4.584 13.621 -4.327) 15.009 2.309 ( -3.446 6.333 -3.339) 7.945 2.508 ( 3.342 8.404 8.001) 12.075 2.801 ( -2.902 10.515 -10.704) 15.282 3.584 ( 0.246 1.077 -0.020) 1.105 4.085 ( 1.300 -3.789 1.893) 4.431 4.602 ( -5.411 9.196 3.174) 11.132 4.647 ( 4.488 -4.982 3.263) 7.457 4.702 ( -4.513 -3.704 -2.745) 6.451 4.977 ( -0.279 1.783 2.208) 2.852 5.328 ( -0.495 -4.429 0.885) 4.543 5.378 ( 3.350 -2.668 -2.656) 5.040 6.463 ( -0.448 0.449 0.343) 0.721 6.832 ( -0.517 -4.993 0.766) 5.078 7.389 ( 1.140 -4.111 -0.414) 4.286 8.455 ( 0.602 1.892 -1.748) 2.646 9.344 ( -0.333 -2.217 0.402) 2.277 19.269 ( 0.015 -0.774 0.006) 0.774 19.627 ( 0.071 -0.191 -0.353) 0.408 38.516 ( 0.013 0.004 -0.028) 0.031 61.506 ( -0.186 10.148 0.023) 10.149 ======================= Grid point 563 (276/322) ======================= q-point: (-0.15 0.23 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( 3.084 9.001 -5.461) 10.971 2.178 ( 1.942 6.842 -0.830) 7.161 2.402 ( 6.562 9.691 13.026) 17.512 2.570 ( -4.797 8.960 -16.819) 19.651 3.554 ( -0.457 2.354 -0.202) 2.407 4.139 ( 0.724 -0.162 0.994) 1.240 4.340 ( -2.199 14.961 4.181) 15.689 4.693 ( -9.352 -2.479 -1.799) 9.841 4.718 ( 0.820 3.361 5.470) 6.472 4.969 ( 4.863 -0.921 -0.395) 4.965 5.426 ( 1.013 -5.717 -0.250) 5.812 5.433 ( 1.685 -1.610 -1.507) 2.775 6.457 ( 2.299 0.862 0.396) 2.487 6.944 ( -8.979 -10.974 2.184) 14.346 7.523 ( 10.032 -5.651 -2.383) 11.758 8.429 ( -1.681 0.565 -2.713) 3.241 9.343 ( -1.844 1.459 1.285) 2.679 19.290 ( -0.083 -1.554 0.064) 1.557 19.624 ( -0.068 0.401 -0.524) 0.663 38.514 ( -0.436 0.082 -0.003) 0.444 61.382 ( 2.947 4.241 0.430) 5.182 ======================= Grid point 564 (277/322) ======================= q-point: (-0.08 0.23 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( 5.997 7.102 -1.212) 9.374 2.107 ( 5.989 3.933 -2.208) 7.498 2.288 ( 9.186 9.989 5.018) 14.469 2.385 ( -2.469 6.271 -10.444) 12.430 3.483 ( -1.314 4.883 0.859) 5.129 3.952 ( 2.901 19.385 1.813) 19.684 4.218 ( -1.676 -0.912 2.179) 2.896 4.561 ( -0.447 11.456 3.289) 11.927 4.655 ( -11.984 -1.542 0.080) 12.083 5.068 ( 6.448 -3.563 0.500) 7.384 5.455 ( -1.754 -0.944 -0.591) 2.078 5.557 ( 2.225 -7.427 -0.242) 7.757 6.475 ( 5.639 0.561 0.229) 5.672 7.077 ( -14.617 -13.145 4.191) 20.100 7.738 ( 14.221 -7.413 -4.778) 16.734 8.384 ( -4.044 1.889 -3.981) 5.981 9.268 ( -3.277 4.515 1.971) 5.917 19.323 ( -0.428 -2.319 0.142) 2.362 19.609 ( -0.311 1.098 -0.731) 1.355 38.507 ( -0.907 0.011 0.043) 0.908 61.412 ( 9.528 -2.066 1.490) 9.862 ======================= Grid point 569 (278/322) ======================= q-point: ( 0.31 0.31 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( 10.227 0.000 3.670) 10.865 1.947 ( 9.110 0.000 1.720) 9.271 2.378 ( 1.017 0.000 -3.634) 3.774 2.463 ( 11.459 0.000 -11.208) 16.029 3.478 ( 2.490 0.000 4.494) 5.138 3.733 ( -6.307 -0.000 0.499) 6.327 4.159 ( -0.100 -0.000 0.192) 0.216 4.199 ( 12.715 0.000 -0.118) 12.716 4.333 ( 15.742 0.000 -0.606) 15.753 4.762 ( -10.858 -0.000 1.860) 11.016 5.624 ( -2.218 -0.000 -1.274) 2.558 5.951 ( -8.520 -0.000 1.775) 8.703 6.987 ( -15.186 -0.000 5.812) 16.260 7.280 ( 6.004 0.000 0.055) 6.005 7.420 ( -1.973 -0.000 -1.323) 2.376 8.309 ( -6.046 -0.000 -0.000) 6.046 8.842 ( 2.617 0.000 -5.246) 5.863 19.355 ( -2.692 -0.000 -0.527) 2.743 19.488 ( 0.021 0.000 0.071) 0.074 38.499 ( 0.090 0.000 1.399) 1.402 62.994 ( 17.419 0.000 2.716) 17.630 ======================= Grid point 570 (279/322) ======================= q-point: ( 0.38 0.31 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( 8.735 -13.112 4.284) 16.327 2.029 ( 9.640 -1.490 0.075) 9.755 2.468 ( 3.608 -5.869 -1.980) 7.168 2.584 ( 7.764 -7.428 -11.906) 16.038 3.477 ( 2.418 1.500 2.212) 3.604 3.753 ( -5.841 -6.611 0.511) 8.837 4.133 ( 1.032 2.134 -0.568) 2.437 4.233 ( 0.349 0.215 3.211) 3.237 4.476 ( 17.209 2.460 0.406) 17.389 4.723 ( -2.406 -1.226 1.964) 3.339 5.560 ( -5.103 3.363 -2.412) 6.571 5.851 ( -7.190 3.908 2.474) 8.550 6.847 ( -12.457 3.096 3.419) 13.284 7.183 ( 5.467 9.073 0.723) 10.618 7.530 ( -4.893 -7.374 -0.920) 8.897 8.308 ( -3.073 -4.833 -0.327) 5.736 8.856 ( 1.356 -0.124 -3.963) 4.191 19.330 ( -2.038 0.556 -0.359) 2.143 19.497 ( -0.050 -0.934 0.013) 0.936 38.498 ( 0.344 0.366 1.180) 1.282 63.043 ( 13.488 8.236 1.598) 15.885 ======================= Grid point 571 (280/322) ======================= q-point: ( 0.46 0.31 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.126 ( 7.733 -4.454 2.790) 9.350 2.259 ( 6.956 -16.021 -2.436) 17.635 2.587 ( 4.901 -4.773 -3.711) 7.783 2.843 ( 5.053 -15.195 -6.126) 17.145 3.493 ( 5.421 0.378 1.701) 5.694 3.858 ( -3.987 -8.950 0.466) 9.809 4.111 ( -0.346 0.684 -0.170) 0.785 4.231 ( -1.967 -0.959 0.632) 2.278 4.500 ( 9.606 6.177 4.663) 12.335 4.742 ( 0.325 -0.567 2.740) 2.817 5.429 ( -5.963 5.395 -3.136) 8.631 5.716 ( -4.721 5.543 2.207) 7.608 6.703 ( -7.564 3.868 1.109) 8.568 7.076 ( 4.799 7.482 1.013) 8.946 7.553 ( -8.786 -1.798 -1.094) 9.035 8.438 ( 2.201 -9.145 -0.853) 9.445 8.854 ( -1.190 0.047 -2.165) 2.471 19.304 ( -1.257 0.706 -0.198) 1.455 19.518 ( -0.115 -1.481 -0.063) 1.487 38.496 ( 0.597 0.357 0.817) 1.073 62.928 ( 10.045 14.424 0.727) 17.592 ======================= Grid point 572 (281/322) ======================= q-point: ( 0.54 0.31 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( 3.001 -4.548 1.325) 5.608 2.503 ( 6.998 -3.782 -10.206) 12.940 2.777 ( 1.455 -13.508 2.835) 13.879 3.147 ( 5.933 -12.312 -3.131) 14.021 3.548 ( 8.473 -0.092 1.317) 8.575 3.960 ( -0.883 1.011 1.857) 2.291 4.111 ( -0.380 -4.296 1.113) 4.454 4.254 ( -6.162 -5.141 1.544) 8.173 4.476 ( 7.051 1.705 0.892) 7.309 4.750 ( -4.231 -1.899 3.467) 5.790 5.280 ( -4.270 5.506 -2.281) 7.332 5.587 ( -2.410 5.733 1.106) 6.316 6.594 ( -3.447 3.387 -0.070) 4.833 6.986 ( 3.906 6.367 0.927) 7.527 7.480 ( -9.184 1.164 -0.819) 9.294 8.628 ( 7.371 -5.732 -1.629) 9.479 8.844 ( -5.225 -3.222 -0.551) 6.163 19.284 ( -0.612 0.660 -0.087) 0.905 19.547 ( -0.102 -1.670 -0.109) 1.676 38.498 ( 0.677 0.073 0.462) 0.823 62.695 ( 6.528 18.193 0.227) 19.330 ======================= Grid point 573 (282/322) ======================= q-point: ( 0.62 0.31 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.336 ( -1.485 -3.621 0.596) 3.959 2.547 ( 5.203 1.615 -10.867) 12.156 3.000 ( -1.168 -7.867 5.267) 9.539 3.297 ( 8.001 4.101 -4.112) 9.886 3.626 ( 3.694 -1.221 1.755) 4.268 3.841 ( 1.227 4.951 3.714) 6.309 4.223 ( -0.704 -5.518 0.147) 5.564 4.357 ( -2.522 -9.611 2.764) 10.314 4.583 ( 1.651 -8.289 -3.027) 8.978 4.769 ( -5.685 -4.973 3.114) 8.170 5.176 ( -0.938 2.998 -0.932) 3.276 5.472 ( -0.700 5.479 0.414) 5.539 6.522 ( -1.342 2.461 -0.038) 2.803 6.909 ( 2.847 5.269 0.678) 6.027 7.383 ( -6.425 1.943 -0.266) 6.717 8.675 ( 3.943 4.458 -1.188) 6.069 8.955 ( -2.086 -11.006 -0.583) 11.217 19.270 ( -0.197 0.520 -0.031) 0.557 19.576 ( -0.049 -1.551 -0.131) 1.557 38.504 ( 0.500 -0.189 0.176) 0.563 62.386 ( 2.966 19.628 -0.016) 19.851 ======================= Grid point 574 (283/322) ======================= q-point: (-0.31 -0.69 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.357 ( -4.984 -0.995 -0.113) 5.084 2.520 ( 3.767 3.849 -8.729) 10.256 2.974 ( -5.090 10.580 9.129) 14.872 3.159 ( 5.762 10.638 -8.678) 14.889 3.628 ( 1.236 1.421 1.067) 2.165 3.904 ( 3.590 -5.242 1.190) 6.464 4.348 ( -0.729 -9.337 1.876) 9.552 4.484 ( -1.722 -5.311 0.339) 5.594 4.719 ( -5.045 -6.878 1.451) 8.653 4.868 ( 1.677 -6.392 0.876) 6.666 5.166 ( -0.312 -2.559 0.681) 2.666 5.387 ( 2.211 3.940 -1.591) 4.790 6.480 ( -0.805 1.273 0.485) 1.583 6.841 ( 0.365 3.689 0.376) 3.726 7.327 ( -0.300 0.779 0.138) 0.846 8.593 ( -0.285 5.170 -0.846) 5.246 9.137 ( 0.358 -8.976 -0.729) 9.013 19.262 ( 0.002 0.272 -0.018) 0.273 19.600 ( -0.011 -1.206 -0.162) 1.216 38.511 ( 0.150 -0.246 -0.012) 0.288 62.047 ( 0.318 18.585 -0.117) 18.588 ======================= Grid point 575 (284/322) ======================= q-point: (-0.23 0.31 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.260 ( -10.001 5.484 -2.278) 11.631 2.460 ( 4.875 5.341 -5.261) 8.942 2.707 ( -0.612 12.633 5.104) 13.639 2.992 ( 1.588 11.243 -6.805) 13.238 3.612 ( 1.628 1.735 0.244) 2.391 4.013 ( -0.134 -4.832 -0.265) 4.842 4.495 ( -8.160 -6.683 0.773) 10.575 4.573 ( 3.155 -6.506 4.378) 8.453 4.748 ( 0.458 1.622 1.029) 1.975 4.972 ( 1.296 -2.777 2.551) 3.988 5.234 ( -2.064 -4.695 2.304) 5.622 5.383 ( 5.794 -0.334 -5.200) 7.793 6.464 ( -0.407 0.019 0.850) 0.943 6.782 ( -3.654 1.214 0.330) 3.865 7.366 ( 7.320 -2.108 -0.225) 7.621 8.496 ( -2.787 3.731 -1.243) 4.820 9.270 ( -0.227 -5.454 -0.218) 5.463 19.261 ( 0.044 -0.139 -0.024) 0.148 19.618 ( -0.031 -0.725 -0.238) 0.764 38.514 ( -0.239 -0.112 -0.076) 0.275 61.737 ( -0.070 14.887 -0.067) 14.887 ======================= Grid point 576 (285/322) ======================= q-point: (-0.15 0.31 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( -8.196 6.723 -7.254) 12.845 2.387 ( 7.927 8.125 -0.630) 11.369 2.553 ( 0.172 5.668 2.255) 6.103 2.768 ( 2.114 13.595 -4.697) 14.538 3.587 ( 0.422 2.038 -0.296) 2.102 4.082 ( -2.327 -4.117 -0.201) 4.733 4.489 ( -8.692 -0.194 3.621) 9.418 4.636 ( -0.347 4.863 0.739) 4.931 4.758 ( 4.917 -2.071 4.074) 6.713 4.996 ( 1.632 0.687 2.750) 3.271 5.315 ( -1.567 -5.828 0.433) 6.050 5.440 ( 5.087 -0.836 -4.548) 6.875 6.479 ( 1.712 -1.013 0.742) 2.123 6.748 ( -7.745 -2.732 0.756) 8.247 7.512 ( 12.433 -4.935 -1.427) 13.452 8.416 ( -4.846 1.495 -2.146) 5.507 9.326 ( -1.872 -1.606 0.694) 2.562 19.269 ( -0.036 -0.727 -0.019) 0.728 19.625 ( -0.145 -0.157 -0.370) 0.427 38.511 ( -0.611 0.088 -0.023) 0.618 61.527 ( 2.712 8.784 0.241) 9.197 ======================= Grid point 577 (286/322) ======================= q-point: (-0.08 0.31 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( 0.969 1.256 -11.855) 11.961 2.300 ( 9.926 8.936 3.830) 13.894 2.453 ( -2.582 5.643 -11.539) 13.102 2.567 ( 8.129 11.095 8.428) 16.131 3.538 ( -1.046 3.165 -0.603) 3.388 4.131 ( -2.704 -3.531 0.437) 4.469 4.329 ( -0.797 13.965 6.809) 15.557 4.549 ( -6.180 0.660 -2.303) 6.628 4.750 ( 1.358 6.972 5.144) 8.770 5.037 ( 2.690 -3.161 2.123) 4.662 5.407 ( -2.267 -5.043 -0.954) 5.610 5.480 ( 3.257 -1.244 -2.574) 4.334 6.526 ( 5.528 -0.729 0.222) 5.580 6.771 ( -11.308 -8.150 1.596) 14.030 7.721 ( 13.825 -6.302 -2.776) 15.445 8.354 ( -6.554 0.288 -3.493) 7.432 9.302 ( -3.505 1.988 1.678) 4.365 19.287 ( -0.275 -1.402 0.005) 1.429 19.620 ( -0.352 0.502 -0.526) 0.807 38.502 ( -0.925 0.212 0.097) 0.954 61.479 ( 8.495 1.193 0.911) 8.626 ======================= Grid point 583 (287/322) ======================= q-point: ( 0.38 0.38 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( 6.722 0.000 4.338) 8.001 2.110 ( 9.015 0.000 5.534) 10.578 2.386 ( 1.170 0.000 -4.251) 4.409 2.594 ( 8.714 0.000 -14.391) 16.823 3.506 ( 1.237 0.000 0.110) 1.242 3.643 ( -4.681 -0.000 0.250) 4.688 4.156 ( -0.270 -0.000 0.343) 0.436 4.194 ( -7.442 -0.000 3.668) 8.297 4.619 ( 7.433 0.000 5.487) 9.239 4.781 ( 16.811 0.000 -3.096) 17.093 5.538 ( -7.084 -0.000 -2.197) 7.416 5.832 ( -6.714 -0.000 3.006) 7.356 6.783 ( -10.537 -0.000 2.413) 10.810 7.371 ( 5.032 0.000 0.046) 5.032 7.377 ( -3.145 -0.000 0.391) 3.169 8.218 ( -5.073 -0.000 0.014) 5.074 8.867 ( 1.582 0.000 -3.701) 4.025 19.319 ( -1.709 -0.000 -0.332) 1.741 19.488 ( 0.026 0.000 0.064) 0.069 38.506 ( 0.404 0.000 1.027) 1.104 63.213 ( 9.752 0.000 0.728) 9.779 ======================= Grid point 584 (288/322) ======================= q-point: ( 0.46 0.38 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( 3.779 -13.062 4.730) 14.397 2.171 ( 6.350 -0.318 4.118) 7.575 2.505 ( 1.992 -9.441 -1.814) 9.818 2.669 ( 6.382 -4.446 -15.551) 17.387 3.516 ( 2.258 -0.505 0.407) 2.350 3.679 ( -3.132 -6.636 -0.640) 7.366 4.120 ( -2.993 0.983 1.213) 3.376 4.174 ( -4.133 -1.487 1.017) 4.509 4.650 ( 4.203 2.172 7.983) 9.280 4.864 ( 13.492 5.435 -2.030) 14.687 5.451 ( -6.734 2.916 -1.997) 7.605 5.760 ( -4.571 3.002 2.696) 6.097 6.698 ( -6.339 1.797 0.724) 6.629 7.249 ( 2.574 7.521 0.797) 7.989 7.463 ( -2.906 -2.644 -0.589) 3.973 8.263 ( -2.158 -8.310 -0.035) 8.586 8.864 ( 0.343 0.870 -2.477) 2.648 19.304 ( -1.090 0.327 -0.227) 1.161 19.496 ( -0.005 -0.847 0.027) 0.848 38.508 ( 0.511 0.287 0.689) 0.904 63.204 ( 6.750 8.041 -0.088) 10.499 ======================= Grid point 585 (289/322) ======================= q-point: ( 0.54 0.38 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.207 ( 0.529 -3.706 6.115) 7.170 2.334 ( 2.723 -15.900 -0.435) 16.138 2.638 ( 2.964 -3.720 -6.099) 7.734 2.891 ( 3.009 -16.450 -8.338) 18.687 3.570 ( 3.174 -2.428 1.356) 4.220 3.818 ( -1.245 -10.349 -0.249) 10.427 4.101 ( -0.033 0.165 0.587) 0.611 4.166 ( -4.150 -1.180 0.741) 4.378 4.628 ( 4.371 4.822 7.883) 10.223 4.794 ( 2.474 7.912 -1.336) 8.396 5.335 ( -4.219 4.393 -0.943) 6.164 5.666 ( -1.752 4.656 1.463) 5.186 6.624 ( -2.203 2.609 -0.324) 3.430 7.139 ( 2.743 7.151 0.651) 7.686 7.443 ( -4.341 0.781 -0.567) 4.447 8.461 ( 0.987 -12.940 -0.457) 12.986 8.832 ( -1.136 2.090 -1.235) 2.680 19.290 ( -0.471 0.473 -0.116) 0.677 19.517 ( -0.032 -1.421 -0.019) 1.422 38.507 ( 0.520 0.294 0.320) 0.678 63.039 ( 3.938 14.453 -0.618) 14.993 ======================= Grid point 586 (290/322) ======================= q-point: (-0.38 -0.62 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( -3.379 -3.134 4.608) 6.517 2.558 ( 2.397 -4.023 -10.257) 11.276 2.778 ( -1.776 -12.839 3.624) 13.459 3.208 ( 3.310 -14.429 -6.470) 16.156 3.629 ( -0.197 -1.580 1.598) 2.256 3.968 ( 1.454 -0.173 -0.127) 1.470 4.131 ( 2.457 -5.471 3.616) 7.003 4.161 ( -4.842 -3.881 1.022) 6.289 4.570 ( 2.431 5.122 0.221) 5.674 4.702 ( -0.897 -0.115 1.668) 1.897 5.234 ( -1.048 4.180 -0.229) 4.316 5.568 ( 0.031 5.347 0.713) 5.394 6.565 ( -0.023 2.991 -0.116) 2.993 7.031 ( 0.836 6.444 0.193) 6.501 7.391 ( -0.910 1.935 0.119) 2.142 8.716 ( 0.434 -13.526 -1.017) 13.571 8.767 ( -0.735 3.730 -0.375) 3.821 19.279 ( -0.036 0.530 -0.038) 0.532 19.545 ( -0.024 -1.653 -0.046) 1.654 38.507 ( 0.300 0.091 0.027) 0.314 62.754 ( 0.881 18.574 -0.827) 18.613 ======================= Grid point 587 (291/322) ======================= q-point: (-0.31 -0.62 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.281 ( -5.941 -2.645 3.912) 7.589 2.567 ( -0.056 1.107 -10.578) 10.636 2.957 ( -5.888 -6.277 7.449) 11.382 3.345 ( -0.103 3.464 -6.666) 7.513 3.635 ( -1.756 -2.914 0.355) 3.421 3.912 ( 5.425 4.177 -2.802) 7.398 4.191 ( -2.807 -6.006 2.742) 7.175 4.377 ( 4.081 -10.397 1.384) 11.255 4.520 ( -7.218 -4.049 2.892) 8.767 4.796 ( 6.755 -5.586 0.563) 8.784 5.167 ( -0.157 2.443 -0.204) 2.456 5.482 ( 1.814 4.734 -0.478) 5.092 6.514 ( 0.245 2.761 0.758) 2.874 6.918 ( -1.972 5.432 -0.152) 5.781 7.374 ( 5.326 1.698 0.628) 5.626 8.662 ( -5.220 4.192 -0.043) 6.695 8.962 ( 3.159 -10.890 -1.267) 11.410 19.270 ( 0.167 0.501 -0.006) 0.528 19.575 ( -0.004 -1.549 -0.069) 1.551 38.508 ( -0.075 -0.123 -0.153) 0.210 62.394 ( -1.799 19.831 -0.796) 19.929 ======================= Grid point 588 (292/322) ======================= q-point: (-0.23 -0.62 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.245 ( -8.947 1.528 2.802) 9.499 2.516 ( -2.361 1.580 -6.934) 7.493 2.883 ( -8.129 7.390 6.908) 12.977 3.189 ( 1.006 8.892 -8.672) 12.461 3.681 ( 4.845 1.540 -0.529) 5.111 3.917 ( -1.786 -3.023 -4.478) 5.691 4.313 ( -4.012 -7.772 1.981) 8.967 4.490 ( 2.099 -4.700 3.160) 6.040 4.671 ( -0.588 -9.962 4.193) 10.824 4.948 ( 6.666 -3.474 1.791) 7.728 5.153 ( -1.371 -1.910 0.352) 2.377 5.437 ( 4.110 2.211 -3.108) 5.607 6.473 ( -0.496 1.666 1.369) 2.213 6.807 ( -3.458 4.176 -0.206) 5.426 7.423 ( 10.934 0.034 0.436) 10.943 8.534 ( -6.734 4.377 -0.229) 8.035 9.152 ( 1.688 -7.753 -1.055) 8.005 19.264 ( 0.187 0.326 -0.013) 0.376 19.600 ( -0.010 -1.183 -0.122) 1.189 38.509 ( -0.418 -0.185 -0.209) 0.502 62.027 ( -2.716 17.763 -0.598) 17.979 ======================= Grid point 589 (293/322) ======================= q-point: (-0.15 -0.62 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( -11.430 6.290 -1.257) 13.107 2.480 ( -1.153 0.330 -3.166) 3.385 2.693 ( -2.028 8.150 1.945) 8.621 3.021 ( 3.591 11.036 -5.596) 12.885 3.658 ( 4.350 4.275 -0.262) 6.105 3.961 ( -5.886 -5.279 -2.982) 8.450 4.373 ( -6.234 -3.990 1.075) 7.479 4.637 ( 3.171 -5.934 4.289) 7.979 4.787 ( 3.228 -1.304 3.629) 5.029 5.020 ( 3.740 -0.234 2.330) 4.412 5.204 ( -2.162 -4.485 1.381) 5.167 5.461 ( 4.896 -0.756 -4.476) 6.677 6.455 ( -1.467 -0.643 1.255) 2.035 6.717 ( -2.999 2.689 -0.089) 4.029 7.548 ( 14.046 -2.605 -0.419) 14.291 8.404 ( -8.262 3.064 -0.945) 8.863 9.264 ( -0.297 -4.036 -0.359) 4.062 19.262 ( 0.095 -0.046 -0.031) 0.110 19.616 ( -0.077 -0.651 -0.225) 0.693 38.507 ( -0.631 -0.045 -0.138) 0.648 61.731 ( -0.727 12.425 -0.235) 12.448 ======================= Grid point 590 (294/322) ======================= q-point: (-0.08 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( -4.158 1.353 -7.622) 8.787 2.462 ( 1.077 1.565 -2.964) 3.521 2.556 ( 1.754 7.420 -0.891) 7.676 2.847 ( 7.072 11.728 1.435) 13.770 3.605 ( 2.245 4.397 -0.298) 4.946 4.004 ( -7.177 -5.504 -0.159) 9.045 4.377 ( -5.337 -1.410 0.388) 5.533 4.658 ( 2.027 6.582 3.218) 7.602 4.835 ( 3.398 -0.029 4.080) 5.309 5.035 ( 2.534 0.811 2.436) 3.608 5.279 ( -3.024 -5.725 0.008) 6.475 5.500 ( 2.854 -0.001 -2.955) 4.108 6.485 ( -2.254 -4.332 0.591) 4.919 6.665 ( -1.163 1.053 0.114) 1.573 7.730 ( 14.128 -4.633 -1.410) 14.935 8.295 ( -9.233 0.865 -2.208) 9.532 9.293 ( -2.195 -0.328 0.641) 2.310 19.268 ( -0.088 -0.578 -0.036) 0.586 19.621 ( -0.219 -0.016 -0.358) 0.421 38.500 ( -0.718 0.202 0.031) 0.746 61.586 ( 4.176 4.651 0.319) 6.258 ======================= Grid point 597 (295/322) ======================= q-point: ( 0.46 0.46 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( 1.496 0.000 5.255) 5.464 2.226 ( 2.415 0.000 9.053) 9.369 2.394 ( 1.052 0.000 -4.743) 4.858 2.673 ( 5.385 0.000 -16.989) 17.822 3.526 ( 1.212 0.000 -1.761) 2.137 3.592 ( -1.513 -0.000 -0.236) 1.532 4.088 ( -3.865 -0.000 0.813) 3.950 4.153 ( -0.256 -0.000 0.546) 0.603 4.704 ( 2.553 0.000 8.614) 8.985 5.012 ( 7.069 0.000 -0.458) 7.084 5.425 ( -5.512 -0.000 -0.706) 5.557 5.762 ( -2.129 -0.000 2.133) 3.014 6.677 ( -2.626 -0.000 -0.557) 2.685 7.340 ( -0.838 -0.000 -0.145) 0.850 7.431 ( 2.090 0.000 0.027) 2.090 8.158 ( -2.106 -0.000 0.029) 2.106 8.871 ( -0.432 -0.000 -1.562) 1.620 19.299 ( -0.637 -0.000 -0.185) 0.663 19.489 ( 0.024 0.000 0.040) 0.047 38.515 ( 0.496 0.000 0.387) 0.629 63.320 ( 3.965 0.000 -1.003) 4.090 ======================= Grid point 598 (296/322) ======================= q-point: (-0.46 -0.54 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.016 ( -1.883 -12.202 5.832) 13.654 2.224 ( -1.670 -0.232 6.294) 6.516 2.525 ( 1.097 -11.051 -2.296) 11.340 2.705 ( 2.631 -3.134 -17.051) 17.535 3.544 ( 0.942 -1.696 -0.495) 2.002 3.651 ( -0.093 -6.529 -1.196) 6.638 4.090 ( 1.692 -1.006 -0.638) 2.070 4.148 ( -0.490 0.392 0.859) 1.064 4.710 ( 0.772 1.773 8.659) 8.872 4.957 ( -3.653 7.027 0.624) 7.944 5.370 ( -2.264 2.399 0.895) 3.417 5.733 ( 0.891 2.896 1.015) 3.195 6.658 ( 1.583 1.589 -1.557) 2.730 7.280 ( 1.595 5.962 -0.552) 6.197 7.435 ( -0.617 0.464 -0.036) 0.773 8.247 ( 0.313 -9.791 -0.281) 9.800 8.852 ( -1.499 1.062 -0.364) 1.873 19.294 ( -0.090 0.242 -0.094) 0.275 19.496 ( 0.013 -0.813 0.014) 0.813 38.516 ( 0.458 0.281 0.028) 0.538 63.267 ( 1.472 8.011 -1.757) 8.332 ======================= Grid point 599 (297/322) ======================= q-point: (-0.38 -0.54 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.167 ( -7.244 -3.948 7.768) 11.332 2.337 ( -2.842 -15.413 1.497) 15.744 2.650 ( 0.346 -2.718 -7.648) 8.124 2.903 ( 1.087 -17.851 -8.959) 20.003 3.584 ( -1.527 -2.040 -0.241) 2.560 3.814 ( 0.903 -10.628 0.103) 10.666 4.112 ( -1.826 0.116 1.041) 2.105 4.151 ( 4.750 0.344 0.564) 4.795 4.690 ( 0.676 2.349 8.205) 8.561 4.748 ( -6.932 8.187 -2.839) 11.096 5.308 ( 0.805 3.971 1.532) 4.332 5.672 ( 2.009 5.061 0.867) 5.514 6.635 ( 3.789 3.261 -1.296) 5.165 7.157 ( -0.809 7.474 -1.000) 7.584 7.429 ( 3.014 0.880 0.684) 3.213 8.468 ( 0.005 -12.957 -1.181) 13.010 8.812 ( -1.210 1.769 0.696) 2.253 19.289 ( 0.331 0.443 -0.004) 0.553 19.517 ( 0.018 -1.399 -0.006) 1.400 38.513 ( 0.219 0.368 -0.254) 0.498 63.056 ( -1.457 14.671 -2.145) 14.899 ======================= Grid point 600 (298/322) ======================= q-point: (-0.31 -0.54 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.172 ( -8.719 -3.647 6.651) 11.557 2.519 ( -4.910 -4.958 -7.783) 10.453 2.744 ( -3.436 -10.502 3.145) 11.489 3.224 ( 0.593 -14.935 -8.995) 17.445 3.557 ( -7.751 0.714 0.165) 7.785 3.987 ( 1.090 -4.131 -0.416) 4.293 4.099 ( -2.930 -1.745 2.833) 4.434 4.215 ( 5.301 -5.801 2.768) 8.332 4.529 ( -4.175 6.167 -2.020) 7.716 4.765 ( 6.138 -3.927 1.900) 7.530 5.240 ( 1.531 4.673 1.220) 5.067 5.592 ( 2.560 5.594 0.571) 6.178 6.594 ( 3.608 4.468 -0.036) 5.743 7.007 ( -3.227 6.769 -0.954) 7.560 7.459 ( 8.426 1.027 1.151) 8.566 8.617 ( -8.510 -3.823 -0.523) 9.344 8.838 ( 5.561 -5.560 -0.067) 7.864 19.283 ( 0.515 0.604 0.046) 0.795 19.546 ( 0.059 -1.640 -0.016) 1.641 38.507 ( -0.183 0.214 -0.393) 0.483 62.720 ( -4.647 18.664 -2.094) 19.348 ======================= Grid point 601 (299/322) ======================= q-point: (-0.23 -0.54 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( -8.487 -2.597 6.525) 11.016 2.483 ( -8.051 0.450 -7.316) 10.888 2.851 ( -9.077 -3.405 6.395) 11.614 3.276 ( -5.604 3.658 -8.558) 10.864 3.597 ( -2.944 -10.156 -3.581) 11.163 3.973 ( 4.132 5.825 -4.648) 8.521 4.160 ( -1.809 -6.651 3.304) 7.644 4.434 ( -3.782 -8.321 4.505) 10.191 4.479 ( 7.236 -5.487 0.433) 9.092 4.924 ( 7.995 -6.004 1.235) 10.074 5.170 ( 0.615 3.919 0.662) 4.022 5.521 ( 2.928 4.349 -0.739) 5.294 6.534 ( 2.027 4.526 1.200) 5.102 6.867 ( -3.627 5.358 -0.688) 6.506 7.529 ( 12.644 0.703 1.063) 12.708 8.532 ( -10.453 2.579 0.692) 10.789 9.027 ( 4.694 -8.330 -1.370) 9.659 19.275 ( 0.480 0.650 0.043) 0.809 19.575 ( 0.101 -1.511 -0.042) 1.515 38.502 ( -0.505 -0.042 -0.402) 0.647 62.324 ( -6.682 18.875 -1.693) 20.094 ======================= Grid point 602 (300/322) ======================= q-point: (-0.15 -0.54 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( -11.277 4.667 4.680) 13.071 2.416 ( -7.919 -2.481 -2.608) 8.699 2.763 ( -7.671 3.493 2.045) 8.674 3.166 ( -1.287 4.264 -8.526) 9.620 3.731 ( -1.942 -6.343 -2.053) 6.944 3.875 ( 2.314 6.360 -5.434) 8.679 4.262 ( -1.936 -4.840 1.944) 5.564 4.543 ( 2.676 -7.369 2.404) 8.200 4.711 ( 3.650 -9.264 3.999) 10.730 5.071 ( 7.586 -0.869 3.376) 8.349 5.126 ( -1.859 -1.227 -0.431) 2.268 5.489 ( 2.720 1.284 -2.095) 3.666 6.470 ( 0.067 3.313 1.459) 3.621 6.758 ( -2.343 3.710 -0.418) 4.408 7.638 ( 14.791 -0.482 0.450) 14.806 8.387 ( -11.320 3.501 0.564) 11.863 9.183 ( 2.446 -5.602 -1.297) 6.249 19.268 ( 0.319 0.495 0.009) 0.589 19.600 ( 0.096 -1.092 -0.111) 1.101 38.499 ( -0.582 -0.159 -0.311) 0.679 61.955 ( -5.977 15.006 -1.101) 16.190 ======================= Grid point 603 (301/322) ======================= q-point: (-0.08 -0.54 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( -8.470 3.573 -0.980) 9.245 2.432 ( -3.381 -3.269 -0.907) 4.790 2.657 ( -2.420 3.594 -0.504) 4.361 3.062 ( 2.309 6.720 -4.856) 8.607 3.751 ( 7.099 7.373 -0.100) 10.236 3.826 ( -9.147 -6.155 -3.170) 11.472 4.311 ( -1.464 -2.263 -0.258) 2.708 4.693 ( 2.555 -4.508 2.833) 5.906 4.847 ( 2.836 -2.425 3.524) 5.132 5.086 ( 2.803 0.932 1.159) 3.173 5.177 ( -0.703 -2.707 1.378) 3.118 5.505 ( 1.080 -0.809 -1.227) 1.823 6.428 ( -1.280 0.565 0.696) 1.563 6.696 ( -0.322 1.949 -0.200) 1.986 7.780 ( 14.037 -2.158 -0.398) 14.207 8.239 ( -11.368 2.289 -0.338) 11.601 9.263 ( 0.407 -2.099 -0.605) 2.222 19.264 ( 0.114 0.124 -0.023) 0.170 19.615 ( 0.016 -0.496 -0.220) 0.543 38.497 ( -0.460 -0.013 -0.132) 0.478 61.709 ( -2.104 7.821 -0.421) 8.110 ======================= Grid point 611 (302/322) ======================= q-point: (-0.46 -0.46 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( -4.406 -0.000 6.072) 7.502 2.210 ( -7.466 -0.000 10.050) 12.520 2.398 ( 0.860 0.000 -4.961) 5.035 2.682 ( 0.738 0.000 -17.147) 17.162 3.531 ( 0.414 0.000 -2.552) 2.586 3.597 ( 2.184 0.000 -0.677) 2.286 4.116 ( 7.177 0.000 -1.941) 7.435 4.151 ( -0.109 -0.000 0.698) 0.707 4.730 ( -2.202 -0.000 8.705) 8.979 4.948 ( -14.436 -0.000 2.996) 14.744 5.390 ( 1.235 0.000 2.765) 3.029 5.780 ( 3.116 0.000 0.506) 3.156 6.703 ( 6.147 0.000 -2.763) 6.739 7.362 ( 3.859 0.000 -2.177) 4.431 7.431 ( -2.066 -0.000 0.006) 2.066 8.158 ( 2.085 0.000 0.038) 2.086 8.845 ( -2.740 -0.000 0.879) 2.878 19.297 ( 0.419 0.000 -0.008) 0.419 19.489 ( 0.017 0.000 0.004) 0.017 38.523 ( 0.461 0.000 -0.346) 0.576 63.341 ( -0.674 -0.000 -2.981) 3.056 ======================= Grid point 612 (303/322) ======================= q-point: (-0.38 -0.46 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( -7.192 -11.357 7.008) 15.159 2.138 ( -10.818 -1.445 6.845) 12.883 2.530 ( 0.181 -11.295 -3.068) 11.706 2.677 ( -0.959 -3.168 -16.117) 16.454 3.545 ( -0.015 -1.125 -2.851) 3.065 3.676 ( 3.521 -6.024 -0.374) 6.987 4.128 ( -0.268 1.967 1.029) 2.236 4.196 ( 8.033 -0.654 -1.764) 8.250 4.703 ( -6.809 0.447 11.071) 13.005 4.777 ( -13.798 3.978 -1.613) 14.450 5.391 ( 3.649 2.649 3.735) 5.855 5.777 ( 3.582 3.344 1.034) 5.008 6.739 ( 8.849 2.581 -2.796) 9.632 7.286 ( -1.293 7.663 -2.598) 8.194 7.456 ( 3.861 -1.575 0.026) 4.170 8.270 ( 2.481 -8.836 -0.727) 9.206 8.815 ( -3.230 0.493 2.111) 3.891 19.300 ( 0.853 0.282 0.106) 0.905 19.497 ( 0.026 -0.815 -0.013) 0.815 38.522 ( 0.306 0.392 -0.648) 0.817 63.245 ( -3.357 8.355 -3.933) 9.825 ======================= Grid point 613 (304/322) ======================= q-point: (-0.31 -0.46 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( -12.478 -4.019 8.706) 15.737 2.243 ( -9.298 -15.897 2.488) 18.584 2.618 ( -2.013 -2.518 -7.301) 7.981 2.886 ( -0.743 -18.628 -8.970) 20.689 3.529 ( -4.954 1.560 -2.208) 5.644 3.854 ( 4.243 -9.240 0.788) 10.198 4.070 ( -4.523 1.649 4.018) 6.271 4.238 ( 3.582 1.066 -0.681) 3.799 4.570 ( -9.779 3.094 -0.778) 10.286 4.745 ( 3.267 -2.758 2.090) 4.759 5.356 ( 3.816 5.009 3.645) 7.276 5.724 ( 3.879 5.620 1.301) 6.951 6.735 ( 8.929 5.495 -1.689) 10.619 7.111 ( -4.091 8.107 -2.254) 9.356 7.533 ( 9.001 -1.100 0.777) 9.101 8.443 ( -3.248 -8.194 -1.401) 8.925 8.807 ( 0.472 -1.921 2.332) 3.057 19.300 ( 1.043 0.604 0.187) 1.220 19.518 ( 0.098 -1.419 -0.016) 1.422 38.513 ( -0.080 0.580 -0.744) 0.947 62.981 ( -7.055 15.217 -4.194) 17.289 ======================= Grid point 614 (305/322) ======================= q-point: (-0.23 -0.46 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( -11.270 -5.792 8.419) 15.213 2.367 ( -12.121 -5.198 -2.896) 13.503 2.681 ( -5.130 -7.348 0.648) 8.985 3.164 ( -5.960 -11.446 -10.851) 16.861 3.419 ( -8.277 -0.463 -0.580) 8.310 4.019 ( 2.678 -4.743 -0.238) 5.452 4.071 ( -0.881 -3.082 2.832) 4.277 4.264 ( -0.490 -4.650 1.595) 4.940 4.497 ( 1.394 0.323 -3.131) 3.442 4.876 ( 7.367 -5.743 0.548) 9.357 5.283 ( 2.945 6.096 3.184) 7.482 5.645 ( 3.565 6.310 0.588) 7.271 6.680 ( 7.164 7.411 -0.107) 10.308 6.938 ( -4.867 6.416 -1.462) 8.185 7.638 ( 12.926 -0.520 1.200) 12.992 8.459 ( -11.121 -0.854 0.653) 11.173 8.926 ( 5.429 -7.192 -0.127) 9.012 19.295 ( 0.956 0.870 0.192) 1.307 19.548 ( 0.224 -1.641 -0.024) 1.656 38.500 ( -0.427 0.376 -0.647) 0.862 62.593 ( -10.559 18.382 -3.637) 21.509 ======================= Grid point 615 (306/322) ======================= q-point: (-0.15 -0.46 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.050 ( -9.130 -2.397 9.351) 13.287 2.281 ( -15.153 -0.969 -1.620) 15.270 2.711 ( -9.130 -1.667 0.943) 9.329 3.146 ( -7.704 -0.953 -10.351) 12.939 3.517 ( -5.199 -10.418 -4.360) 12.433 4.051 ( 6.231 5.931 -2.822) 9.053 4.158 ( 1.422 -7.230 1.441) 7.508 4.389 ( -3.068 -9.212 2.192) 9.954 4.597 ( 6.362 -7.195 0.208) 9.607 5.039 ( 6.122 -5.323 -0.460) 8.126 5.202 ( 2.929 5.356 3.676) 7.126 5.562 ( 2.045 5.021 -0.355) 5.433 6.589 ( 4.862 7.581 0.977) 9.059 6.804 ( -4.252 4.140 -0.741) 5.980 7.756 ( 14.763 0.025 0.926) 14.792 8.344 ( -13.110 2.249 1.737) 13.415 9.099 ( 4.716 -6.600 -1.370) 8.227 19.285 ( 0.690 0.944 0.132) 1.176 19.579 ( 0.319 -1.445 -0.062) 1.481 38.493 ( -0.447 -0.008 -0.474) 0.652 62.172 ( -11.629 16.654 -2.589) 20.476 ======================= Grid point 616 (307/322) ======================= q-point: (-0.08 -0.46 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( -11.461 5.365 5.511) 13.803 2.286 ( -7.371 -8.027 2.054) 11.090 2.652 ( -6.372 0.099 -1.912) 6.653 3.102 ( -4.260 -0.132 -9.861) 10.742 3.627 ( -6.733 -7.535 -3.750) 10.778 3.966 ( 6.965 8.291 -1.135) 10.888 4.274 ( 3.396 -2.863 -0.248) 4.449 4.565 ( -0.544 -10.827 0.564) 10.856 4.784 ( 3.672 -7.130 2.555) 8.418 5.098 ( -1.111 1.052 -0.828) 1.739 5.196 ( 6.761 0.259 3.776) 7.748 5.506 ( -0.390 1.598 0.191) 1.656 6.496 ( 3.252 5.984 0.856) 6.864 6.719 ( -2.969 1.967 -0.340) 3.578 7.869 ( 12.571 0.051 0.153) 12.572 8.194 ( -11.767 2.681 1.625) 12.178 9.224 ( 3.065 -3.682 -1.349) 4.977 19.274 ( 0.380 0.751 0.053) 0.843 19.603 ( 0.310 -0.943 -0.139) 1.002 38.492 ( -0.188 -0.181 -0.288) 0.389 61.831 ( -9.049 10.604 -1.484) 14.020 ======================= Grid point 625 (308/322) ======================= q-point: (-0.38 -0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( -9.391 -0.000 6.737) 11.558 2.040 ( -15.863 -0.000 10.195) 18.857 2.399 ( 0.748 0.000 -5.084) 5.138 2.629 ( -2.251 -0.000 -15.442) 15.605 3.540 ( 1.663 0.000 -3.865) 4.208 3.654 ( 4.899 0.000 -0.739) 4.954 4.153 ( 0.067 0.000 0.693) 0.696 4.257 ( 7.381 0.000 -2.203) 7.703 4.593 ( -22.259 -0.000 11.662) 25.129 4.730 ( -3.911 -0.000 -1.695) 4.262 5.459 ( 5.152 0.000 5.316) 7.403 5.840 ( 3.992 0.000 2.069) 4.496 6.850 ( 12.748 0.000 -3.263) 13.158 7.371 ( -5.017 -0.000 -0.011) 5.017 7.439 ( 6.102 0.000 -5.655) 8.320 8.218 ( 5.059 0.000 0.037) 5.059 8.789 ( -4.718 -0.000 3.653) 5.967 19.312 ( 1.365 0.000 0.281) 1.394 19.489 ( 0.006 0.000 -0.035) 0.036 38.528 ( 0.352 0.000 -1.033) 1.091 63.283 ( -5.455 -0.000 -5.882) 8.023 ======================= Grid point 626 (309/322) ======================= q-point: (-0.31 -0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( -11.400 -10.012 8.505) 17.393 1.931 ( -16.091 -4.235 7.645) 18.311 2.516 ( -0.964 -9.177 -4.291) 10.176 2.613 ( -2.392 -4.928 -14.259) 15.275 3.531 ( -1.442 1.864 -3.476) 4.199 3.757 ( 6.454 -6.180 -0.052) 8.936 4.090 ( -7.629 4.966 3.956) 9.925 4.255 ( -5.791 -0.240 1.705) 6.042 4.489 ( -7.668 -2.008 -1.281) 8.029 4.733 ( 3.796 -1.467 0.925) 4.173 5.475 ( 4.417 3.327 5.575) 7.853 5.845 ( 4.552 3.455 2.803) 6.365 6.918 ( 13.942 4.311 -2.578) 14.819 7.226 ( -4.736 8.303 -3.138) 10.061 7.545 ( 6.341 -4.685 -2.698) 8.332 8.310 ( 2.247 -4.827 -0.655) 5.365 8.767 ( -3.215 -1.576 4.521) 5.767 19.321 ( 1.653 0.441 0.442) 1.767 19.497 ( 0.056 -0.867 -0.046) 0.870 38.523 ( 0.127 0.584 -1.179) 1.322 63.136 ( -8.960 9.082 -7.166) 14.632 ======================= Grid point 627 (310/322) ======================= q-point: (-0.23 -0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( -14.433 -5.196 10.627) 18.661 2.068 ( -12.851 -15.424 3.732) 20.420 2.553 ( -3.942 -2.733 -7.585) 8.975 2.833 ( -3.546 -16.713 -8.939) 19.282 3.406 ( -10.585 5.716 1.148) 12.084 3.942 ( -1.869 -3.554 0.133) 4.018 3.971 ( -0.458 -6.158 3.111) 6.915 4.233 ( -1.993 -0.436 -0.329) 2.066 4.478 ( -2.128 -1.351 -5.111) 5.699 4.850 ( 9.906 -4.256 0.807) 10.812 5.425 ( 2.847 5.790 4.835) 8.062 5.795 ( 4.295 6.216 2.288) 7.894 6.903 ( 11.001 8.014 -0.934) 13.642 7.028 ( -4.157 8.517 -3.906) 10.251 7.696 ( 10.458 -4.465 -0.173) 11.373 8.353 ( -7.515 -1.466 0.570) 7.678 8.842 ( 3.125 -6.256 2.338) 7.374 19.322 ( 1.594 0.945 0.490) 1.917 19.521 ( 0.244 -1.508 -0.051) 1.529 38.508 ( -0.208 0.804 -0.978) 1.283 62.804 ( -13.586 15.843 -6.889) 21.978 ======================= Grid point 628 (311/322) ======================= q-point: (-0.15 -0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( -10.800 -8.854 10.708) 17.598 2.135 ( -16.033 -3.128 2.616) 16.543 2.580 ( -7.130 -4.514 -3.341) 9.076 2.983 ( -12.436 -6.691 -10.843) 17.804 3.315 ( -4.696 -6.114 0.979) 7.772 3.990 ( -5.039 -9.110 -1.060) 10.464 4.153 ( 8.902 -2.146 -1.429) 9.268 4.244 ( -0.986 -3.791 2.052) 4.422 4.520 ( 1.333 -4.959 -4.639) 6.920 5.014 ( 9.834 -4.259 0.106) 10.717 5.335 ( 1.887 6.236 4.356) 7.838 5.698 ( 2.544 7.492 1.016) 7.977 6.815 ( 4.854 7.899 0.135) 9.273 6.852 ( -0.543 8.371 -2.422) 8.731 7.859 ( 13.808 -2.256 0.745) 14.010 8.266 ( -13.259 1.134 2.461) 13.533 9.012 ( 5.270 -7.441 -0.271) 9.122 19.314 ( 1.244 1.304 0.404) 1.847 19.553 ( 0.480 -1.675 -0.084) 1.744 38.493 ( -0.231 0.442 -0.621) 0.797 62.364 ( -16.638 17.256 -5.186) 24.525 ======================= Grid point 629 (312/322) ======================= q-point: (-0.08 -0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( -11.357 2.719 11.478) 16.374 2.045 ( -11.966 -9.062 3.955) 15.523 2.565 ( -8.689 -2.266 -4.330) 9.969 2.983 ( -9.077 -5.277 -12.591) 16.394 3.441 ( -2.735 -8.366 -1.747) 8.974 4.107 ( 0.302 -0.025 2.460) 2.479 4.225 ( 5.253 -7.008 -6.343) 10.814 4.359 ( 0.931 -6.538 1.928) 6.880 4.663 ( 1.858 -8.676 -1.402) 8.983 5.126 ( 5.159 0.119 -2.226) 5.620 5.270 ( 3.721 2.484 6.043) 7.519 5.578 ( -0.149 6.444 0.502) 6.465 6.701 ( 6.346 10.489 -0.032) 12.259 6.721 ( -3.294 2.887 -0.319) 4.392 7.974 ( 9.335 1.649 0.280) 9.483 8.142 ( -10.000 0.534 3.141) 10.495 9.171 ( 4.574 -5.467 -1.178) 7.225 19.297 ( 0.778 1.347 0.247) 1.575 19.586 ( 0.590 -1.356 -0.145) 1.486 38.488 ( 0.105 -0.051 -0.351) 0.370 61.945 ( -15.563 13.003 -3.142) 20.522 ======================= Grid point 639 (313/322) ======================= q-point: (-0.31 -0.31 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( -12.441 -0.000 7.333) 14.442 1.786 ( -17.907 -0.000 12.988) 22.122 2.398 ( 0.643 0.000 -5.177) 5.217 2.544 ( -3.966 -0.000 -14.708) 15.234 3.549 ( -1.202 -0.000 -2.714) 2.968 3.742 ( 6.014 0.000 -0.373) 6.026 4.058 ( -28.432 -0.000 10.185) 30.201 4.156 ( 0.157 0.000 0.466) 0.492 4.441 ( -0.727 -0.000 -7.896) 7.929 4.773 ( 10.256 0.000 1.095) 10.314 5.543 ( 2.642 0.000 6.197) 6.736 5.923 ( 5.538 0.000 4.364) 7.051 7.090 ( 17.939 0.000 -2.561) 18.121 7.281 ( -6.001 -0.000 -0.023) 6.001 7.495 ( 1.754 0.000 -9.414) 9.576 8.309 ( 6.038 0.000 0.031) 6.038 8.721 ( -4.715 -0.000 6.409) 7.956 19.342 ( 2.139 0.000 0.749) 2.266 19.489 ( -0.004 -0.000 -0.069) 0.069 38.529 ( 0.161 0.000 -1.485) 1.493 63.131 ( -11.620 -0.000 -10.261) 15.503 ======================= Grid point 640 (314/322) ======================= q-point: (-0.23 -0.31 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( -13.580 -6.675 12.470) 19.608 1.697 ( -14.598 -8.916 8.539) 19.118 2.467 ( -3.741 -3.193 -8.688) 9.984 2.546 ( -1.975 -9.345 -10.355) 14.087 3.433 ( -13.723 6.608 4.819) 15.976 3.841 ( -16.119 0.134 1.991) 16.242 3.876 ( 6.926 -7.368 -0.311) 10.117 4.187 ( -1.347 -2.405 0.694) 2.842 4.428 ( -1.958 -0.953 -8.418) 8.695 4.895 ( 14.637 -1.714 0.814) 14.759 5.530 ( 0.280 3.294 5.470) 6.392 5.936 ( 5.450 4.231 4.596) 8.291 7.085 ( -3.234 9.347 0.022) 9.890 7.208 ( 13.948 6.228 -6.801) 16.721 7.610 ( 1.929 -10.313 -3.910) 11.196 8.331 ( 0.418 2.375 1.126) 2.661 8.751 ( 0.176 -5.476 5.155) 7.522 19.354 ( 2.270 0.720 0.936) 2.559 19.498 ( 0.108 -1.001 -0.080) 1.010 38.521 ( -0.039 0.734 -1.343) 1.531 62.915 ( -16.164 9.929 -11.504) 22.186 ======================= Grid point 641 (315/322) ======================= q-point: (-0.15 -0.31 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( -11.409 -6.542 14.628) 19.671 1.865 ( -13.321 -13.885 5.332) 19.967 2.452 ( -6.392 -2.648 -9.800) 11.996 2.719 ( -8.664 -10.270 -7.971) 15.623 3.214 ( -13.264 1.045 9.350) 16.262 3.789 ( -8.621 -5.440 -5.343) 11.509 4.108 ( 9.415 -9.413 -0.697) 13.332 4.214 ( -0.610 -1.247 0.602) 1.513 4.440 ( -0.155 -2.737 -7.238) 7.740 5.050 ( 13.960 -2.159 0.492) 14.135 5.451 ( -1.247 5.181 4.220) 6.798 5.865 ( 3.249 7.805 3.374) 9.103 6.871 ( -9.385 6.893 -1.612) 11.755 7.160 ( 16.037 11.767 -4.948) 20.497 7.840 ( 6.438 -10.366 0.109) 12.203 8.231 ( -6.892 5.143 3.272) 9.201 8.910 ( 4.527 -8.160 1.562) 9.462 19.353 ( 1.963 1.462 0.873) 2.599 19.526 ( 0.432 -1.694 -0.127) 1.753 38.503 ( -0.061 0.843 -0.802) 1.165 62.511 ( -20.667 15.773 -9.540) 27.693 ======================= Grid point 642 (316/322) ======================= q-point: (-0.08 -0.31 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( -6.912 -11.242 13.378) 18.792 1.889 ( -15.517 -0.479 8.512) 17.705 2.433 ( -9.595 -3.053 -8.480) 13.164 2.758 ( -11.608 -7.974 -10.286) 17.439 3.268 ( -2.140 -9.086 4.433) 10.333 3.886 ( -6.355 -12.446 -5.982) 15.201 4.220 ( -0.010 0.329 0.963) 1.018 4.333 ( 9.901 -6.117 -0.687) 11.658 4.517 ( 1.027 -6.327 -5.891) 8.706 5.178 ( 9.707 -0.504 -0.980) 9.769 5.353 ( -0.764 4.202 4.502) 6.205 5.723 ( -0.024 9.040 2.048) 9.269 6.701 ( -9.581 3.177 -1.028) 10.147 7.040 ( 15.221 14.281 -2.384) 21.008 8.045 ( -8.771 -3.692 4.511) 10.531 8.078 ( 6.754 2.661 0.236) 7.263 9.092 ( 4.773 -7.233 -0.275) 8.670 19.336 ( 1.352 1.882 0.626) 2.401 19.563 ( 0.722 -1.741 -0.225) 1.898 38.492 ( 0.336 0.336 -0.329) 0.578 62.045 ( -21.009 14.549 -5.882) 26.223 ======================= Grid point 653 (317/322) ======================= q-point: (-0.23 -0.23 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( -13.285 -0.000 7.851) 15.432 1.568 ( -12.929 -0.000 19.181) 23.131 2.396 ( 0.516 0.000 -5.120) 5.146 2.434 ( -5.329 -0.000 -15.933) 16.800 3.358 ( -27.025 -0.000 14.561) 30.698 3.739 ( -8.029 -0.000 -6.351) 10.237 3.838 ( 5.807 0.000 0.236) 5.812 4.159 ( 0.062 0.000 0.045) 0.077 4.400 ( 0.143 0.000 -8.893) 8.894 5.012 ( 17.201 0.000 0.458) 17.207 5.555 ( -2.957 -0.000 5.076) 5.875 6.032 ( 6.158 0.000 5.878) 8.513 7.186 ( -5.581 -0.000 -0.030) 5.581 7.396 ( 13.467 0.000 -11.429) 17.663 7.421 ( -1.898 -0.000 -0.920) 2.109 8.404 ( 5.592 0.000 0.024) 5.592 8.687 ( -0.944 -0.000 7.305) 7.366 19.383 ( 2.739 0.000 1.367) 3.061 19.489 ( -0.012 -0.000 -0.089) 0.090 38.526 ( -0.075 -0.000 -1.428) 1.430 62.852 ( -19.724 -0.000 -15.575) 25.132 ======================= Grid point 654 (318/322) ======================= q-point: (-0.15 -0.23 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( -11.541 -11.577 11.962) 20.256 1.522 ( -9.156 -4.637 15.840) 18.874 2.356 ( -6.470 -0.378 -14.133) 15.548 2.494 ( -2.706 -7.902 -6.631) 10.665 3.111 ( -25.656 1.787 19.035) 31.996 3.671 ( -5.373 -0.053 -11.399) 12.602 3.986 ( 5.598 -9.361 -1.854) 11.063 4.177 ( -0.451 -1.781 0.296) 1.861 4.417 ( 4.521 -0.971 -6.891) 8.298 5.153 ( 16.346 -0.285 0.016) 16.348 5.501 ( -5.173 2.571 3.921) 6.981 6.031 ( 4.770 5.876 5.426) 9.312 6.948 ( -11.354 11.538 -2.466) 16.374 7.425 ( 6.238 1.170 -11.758) 13.362 7.632 ( 7.470 -11.280 4.759) 14.342 8.345 ( 1.234 8.359 2.379) 8.778 8.795 ( 3.637 -8.087 3.573) 9.560 19.397 ( 2.709 1.131 1.457) 3.277 19.500 ( 0.165 -1.234 -0.126) 1.251 38.517 ( -0.066 0.690 -0.943) 1.171 62.560 ( -24.198 10.150 -15.227) 30.338 ======================= Grid point 655 (319/322) ======================= q-point: (-0.08 -0.23 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( -4.011 -6.694 19.608) 21.104 1.677 ( -11.822 -12.064 7.634) 18.536 2.295 ( -9.786 -1.707 -13.421) 16.697 2.532 ( -11.418 -4.563 -4.072) 12.952 3.071 ( -7.496 -9.835 13.402) 18.235 3.659 ( -5.199 -5.569 -12.921) 15.000 4.200 ( 1.200 -5.795 -2.543) 6.441 4.211 ( 0.307 -6.648 -0.492) 6.674 4.495 ( 9.956 -1.808 -4.616) 11.122 5.264 ( 10.306 0.900 -1.358) 10.433 5.408 ( -3.442 3.149 3.553) 5.864 5.906 ( 0.660 10.414 4.163) 11.235 6.686 ( -12.661 5.493 -1.718) 13.907 7.397 ( 13.858 9.293 -7.898) 18.460 7.880 ( -1.196 -9.171 7.082) 11.649 8.194 ( 1.559 6.904 1.010) 7.149 8.986 ( 4.432 -8.358 0.792) 9.494 19.388 ( 2.072 2.156 1.179) 3.214 19.533 ( 0.574 -1.962 -0.308) 2.067 38.504 ( 0.364 0.612 -0.286) 0.768 62.113 ( -25.221 13.783 -10.032) 30.442 ======================= Grid point 667 (320/322) ======================= q-point: (-0.15 -0.15 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( -11.621 -0.000 8.166) 14.203 1.478 ( -5.006 -0.000 25.216) 25.708 2.306 ( -4.945 -0.000 -18.606) 19.252 2.391 ( 0.374 0.000 -4.833) 4.847 2.914 ( -30.194 -0.000 25.725) 39.666 3.631 ( -4.507 -0.000 -19.416) 19.932 3.924 ( 4.747 0.000 0.847) 4.822 4.157 ( -0.268 -0.000 -0.439) 0.514 4.457 ( 9.509 0.000 -4.747) 10.627 5.280 ( 14.354 0.000 -0.973) 14.387 5.476 ( -7.021 -0.000 3.551) 7.868 6.140 ( 5.770 0.000 5.652) 8.077 7.107 ( -4.236 -0.000 -0.031) 4.236 7.136 ( -21.383 -0.000 -8.652) 23.067 7.735 ( 19.314 0.000 0.426) 19.318 8.483 ( 4.222 0.000 0.015) 4.222 8.726 ( 3.652 0.000 4.943) 6.146 19.435 ( 3.130 0.000 1.797) 3.609 19.488 ( -0.017 -0.000 -0.092) 0.093 38.522 ( -0.094 -0.000 -0.742) 0.748 62.429 ( -27.595 -0.000 -18.264) 33.092 ======================= Grid point 668 (321/322) ======================= q-point: (-0.08 -0.15 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( -9.319 -14.879 8.478) 19.496 1.492 ( -1.797 -1.984 23.356) 23.508 2.214 ( -5.490 2.434 -15.413) 16.541 2.407 ( -7.307 -0.846 -2.235) 7.688 2.818 ( -14.991 -10.075 22.155) 28.585 3.560 ( -4.236 -0.083 -20.812) 21.238 4.038 ( 2.044 -7.598 -2.227) 8.177 4.169 ( -0.640 -1.560 -0.157) 1.694 4.559 ( 13.912 -1.266 -2.633) 14.216 5.320 ( -5.076 1.387 -1.749) 5.546 5.453 ( 7.276 1.070 2.603) 7.801 6.112 ( 4.021 8.782 4.958) 10.857 6.711 ( -17.037 11.159 -2.222) 20.488 7.355 ( -6.054 -15.162 -5.263) 17.153 7.876 ( 15.920 0.014 3.306) 16.259 8.375 ( 1.563 11.191 1.159) 11.359 8.869 ( 4.364 -8.214 1.534) 9.427 19.445 ( 2.700 1.699 1.643) 3.588 19.503 ( 0.247 -1.534 -0.296) 1.582 38.516 ( 0.239 0.434 -0.199) 0.534 62.096 ( -27.850 8.615 -13.906) 32.298 ======================= Grid point 681 (322/322) ======================= q-point: (-0.08 -0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.39e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( -7.022 -0.000 7.991) 10.638 1.484 ( -2.536 -0.000 22.768) 22.909 2.235 ( 2.510 0.000 -16.499) 16.688 2.386 ( 0.238 0.000 -4.353) 4.360 2.566 ( -20.853 -0.000 32.301) 38.447 3.499 ( -4.519 -0.000 -27.664) 28.030 3.990 ( 3.069 0.000 1.225) 3.305 4.148 ( -0.683 -0.000 -0.768) 1.028 4.668 ( 16.703 0.000 -1.096) 16.739 5.244 ( -14.467 -0.000 -0.998) 14.502 5.543 ( 9.957 0.000 0.733) 9.984 6.256 ( 8.176 0.000 3.440) 8.870 6.739 ( -24.537 -0.000 -1.604) 24.589 7.054 ( -2.282 -0.000 -0.024) 2.282 7.991 ( 11.681 0.000 0.666) 11.700 8.536 ( 2.263 0.000 0.005) 2.263 8.805 ( 4.339 0.000 1.412) 4.563 19.488 ( 2.795 0.000 1.350) 3.104 19.488 ( -0.019 -0.000 -0.075) 0.078 38.522 ( 0.281 0.000 -0.001) 0.281 61.938 ( -26.469 -0.000 -12.430) 29.242 =================== 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 3/24843 10.0 1475.374 725.516 821.318 0.000 229.823 0.000 3/24843 20.0 421.902 321.582 269.603 0.000 43.826 0.000 3/24843 30.0 156.653 132.567 101.067 0.000 12.578 0.000 3/24843 40.0 78.413 69.699 51.548 0.000 4.928 0.000 3/24843 50.0 48.535 44.285 32.692 0.000 2.412 0.000 3/24843 60.0 34.262 31.639 23.543 0.000 1.377 0.000 3/24843 70.0 26.287 24.373 18.312 0.000 0.877 0.000 3/24843 80.0 21.315 19.759 14.976 0.000 0.603 0.000 3/24843 90.0 17.958 16.610 12.681 0.000 0.438 0.000 3/24843 100.0 15.562 14.338 11.027 0.000 0.319 0.000 3/24843 110.0 13.804 12.629 9.831 0.000 0.185 0.000 3/24843 120.0 12.557 11.298 9.068 0.000 -0.061 0.000 3/24843 130.0 11.841 10.237 8.855 -0.000 -0.594 0.000 3/24843 140.0 11.807 9.377 9.466 -0.000 -1.690 0.000 3/24843 150.0 12.726 8.673 11.325 -0.000 -3.737 0.000 3/24843 160.0 14.973 8.100 14.989 -0.000 -7.223 0.000 3/24843 170.0 18.994 7.642 21.112 -0.000 -12.714 0.000 3/24843 180.0 25.273 7.287 30.395 -0.000 -20.808 0.000 3/24843 190.0 34.295 7.033 43.536 -0.000 -32.100 0.000 3/24843 200.0 46.509 6.876 61.184 -0.000 -47.139 0.000 3/24843 210.0 62.306 6.814 83.898 -0.000 -66.400 0.000 3/24843 220.0 81.995 6.848 112.123 -0.000 -90.261 0.000 3/24843 230.0 105.795 6.975 146.174 -0.000 -118.988 0.000 3/24843 240.0 133.832 7.194 186.232 -0.000 -152.736 0.000 3/24843 250.0 166.138 7.501 232.347 -0.000 -191.550 0.000 3/24843 260.0 202.665 7.895 284.451 -0.000 -235.372 0.000 3/24843 270.0 243.288 8.370 342.368 -0.000 -284.060 0.000 3/24843 280.0 287.822 8.922 405.838 -0.000 -337.394 0.000 3/24843 290.0 336.033 9.546 474.526 -0.000 -395.095 0.000 3/24843 300.0 387.647 10.235 548.046 -0.000 -456.840 0.000 3/24843 310.0 442.364 10.984 625.973 -0.000 -522.274 0.000 3/24843 320.0 499.871 11.786 707.859 -0.000 -591.021 0.000 3/24843 330.0 559.843 12.637 793.245 -0.000 -662.699 0.000 3/24843 340.0 621.957 13.529 881.672 -0.000 -736.920 0.000 3/24843 350.0 685.894 14.457 972.687 -0.000 -813.309 0.000 3/24843 360.0 751.349 15.415 1065.855 -0.000 -891.497 0.000 3/24843 370.0 818.025 16.399 1160.756 -0.000 -971.137 0.000 3/24843 380.0 885.647 17.403 1256.998 -0.000 -1051.896 0.000 3/24843 390.0 953.955 18.423 1354.212 -0.000 -1133.468 0.000 3/24843 400.0 1022.710 19.454 1452.057 -0.000 -1215.565 0.000 3/24843 410.0 1091.689 20.493 1550.220 -0.000 -1297.927 0.000 3/24843 420.0 1160.694 21.535 1648.415 -0.000 -1380.313 0.000 3/24843 430.0 1229.543 22.579 1746.385 -0.000 -1462.508 0.000 3/24843 440.0 1298.072 23.621 1843.898 -0.000 -1544.318 0.000 3/24843 450.0 1366.137 24.659 1940.749 -0.000 -1625.570 0.000 3/24843 460.0 1433.609 25.689 2036.754 -0.000 -1706.112 0.000 3/24843 470.0 1500.377 26.711 2131.755 -0.000 -1785.810 0.000 3/24843 480.0 1566.341 27.723 2225.612 -0.000 -1864.547 0.000 3/24843 490.0 1631.419 28.722 2318.206 -0.000 -1942.223 0.000 3/24843 500.0 1695.538 29.708 2409.434 -0.000 -2018.753 0.000 3/24843 510.0 1758.638 30.680 2499.211 -0.000 -2094.065 0.000 3/24843 520.0 1820.668 31.636 2587.466 -0.000 -2168.099 0.000 3/24843 530.0 1881.589 32.576 2674.140 -0.000 -2240.806 0.000 3/24843 540.0 1941.366 33.500 2759.189 -0.000 -2312.149 0.000 3/24843 550.0 1999.977 34.406 2842.576 -0.000 -2382.098 0.000 3/24843 560.0 2057.403 35.295 2924.276 -0.000 -2450.631 0.000 3/24843 570.0 2113.631 36.166 3004.272 -0.000 -2517.735 0.000 3/24843 580.0 2168.655 37.019 3082.555 -0.000 -2583.401 0.000 3/24843 590.0 2222.473 37.853 3159.121 -0.000 -2647.627 0.000 3/24843 600.0 2275.087 38.670 3233.974 -0.000 -2710.415 0.000 3/24843 610.0 2326.503 39.468 3307.122 -0.000 -2771.773 0.000 3/24843 620.0 2376.729 40.248 3378.577 -0.000 -2831.710 0.000 3/24843 630.0 2425.777 41.010 3448.356 -0.000 -2890.241 0.000 3/24843 640.0 2473.661 41.755 3516.478 -0.000 -2947.383 0.000 3/24843 650.0 2520.396 42.482 3582.965 -0.000 -3003.153 0.000 3/24843 660.0 2566.000 43.191 3647.843 -0.000 -3057.573 0.000 3/24843 670.0 2610.491 43.884 3711.138 -0.000 -3110.665 0.000 3/24843 680.0 2653.889 44.559 3772.878 -0.000 -3162.452 0.000 3/24843 690.0 2696.216 45.218 3833.093 -0.000 -3212.961 0.000 3/24843 700.0 2737.492 45.861 3891.814 -0.000 -3262.216 0.000 3/24843 710.0 2777.741 46.488 3949.072 -0.000 -3310.244 0.000 3/24843 720.0 2816.983 47.100 4004.899 -0.000 -3357.071 0.000 3/24843 730.0 2855.242 47.696 4059.327 -0.000 -3402.726 0.000 3/24843 740.0 2892.542 48.278 4112.390 -0.000 -3447.235 0.000 3/24843 750.0 2928.904 48.844 4164.119 -0.000 -3490.625 0.000 3/24843 760.0 2964.352 49.397 4214.548 -0.000 -3532.924 0.000 3/24843 770.0 2998.909 49.936 4263.709 -0.000 -3574.160 0.000 3/24843 780.0 3032.597 50.461 4311.634 -0.000 -3614.359 0.000 3/24843 790.0 3065.439 50.974 4358.355 -0.000 -3653.548 0.000 3/24843 800.0 3097.456 51.473 4403.903 -0.000 -3691.754 0.000 3/24843 810.0 3128.672 51.960 4448.310 -0.000 -3729.002 0.000 3/24843 820.0 3159.106 52.435 4491.605 -0.000 -3765.318 0.000 3/24843 830.0 3188.780 52.898 4533.820 -0.000 -3800.727 0.000 3/24843 840.0 3217.716 53.349 4574.983 -0.000 -3835.255 0.000 3/24843 850.0 3245.932 53.789 4615.124 -0.000 -3868.925 0.000 3/24843 860.0 3273.449 54.219 4654.270 -0.000 -3901.760 0.000 3/24843 870.0 3300.287 54.637 4692.449 -0.000 -3933.784 0.000 3/24843 880.0 3326.463 55.046 4729.688 -0.000 -3965.020 0.000 3/24843 890.0 3351.998 55.444 4766.013 -0.000 -3995.489 0.000 3/24843 900.0 3376.908 55.833 4801.449 -0.000 -4025.213 0.000 3/24843 910.0 3401.211 56.212 4836.023 -0.000 -4054.214 0.000 3/24843 920.0 3424.924 56.582 4869.757 -0.000 -4082.510 0.000 3/24843 930.0 3448.064 56.943 4902.676 -0.000 -4110.122 0.000 3/24843 940.0 3470.647 57.295 4934.803 -0.000 -4137.070 0.000 3/24843 950.0 3492.689 57.639 4966.160 -0.000 -4163.372 0.000 3/24843 960.0 3514.205 57.974 4996.768 -0.000 -4189.046 0.000 3/24843 970.0 3535.209 58.302 5026.649 -0.000 -4214.111 0.000 3/24843 980.0 3555.717 58.622 5055.823 -0.000 -4238.582 0.000 3/24843 990.0 3575.742 58.934 5084.311 -0.000 -4262.478 0.000 3/24843 1000.0 3595.298 59.239 5112.131 -0.000 -4285.813 0.000 3/24843 Thermal conductivity related properties were written into "kappa-m13137.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 17:45:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|