----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:58:48]------------------------- 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 1 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) Number of symmetry operations in supercell: 36 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.114418521586244 1.798110371806970 5.066754143333328 b -3.114418521586237 1.798110371806970 5.066754143333328 c 0.000000000000003 -3.596220743613946 5.066754143333328 Atomic positions (fractional): *1 O 0.39543807981842 0.39543807981842 0.39543807981842 15.999 2 O 0.60456192018158 0.60456192018158 0.60456192018158 15.999 *3 O 0.88684921387767 0.44082196006960 0.88684921387767 15.999 4 O 0.88684921387767 0.88684921387767 0.44082196006960 15.999 5 O 0.44082196006960 0.88684921387767 0.88684921387767 15.999 6 O 0.11315078612233 0.11315078612233 0.55917803993040 15.999 7 O 0.11315078612233 0.55917803993040 0.11315078612233 15.999 8 O 0.55917803993040 0.11315078612233 0.11315078612233 15.999 *9 Ca 0.14454901225250 0.14454901225250 0.14454901225250 40.078 10 Ca 0.85545098774751 0.85545098774751 0.85545098774751 40.078 *11 Pt 0.50000000000000 0.50000000000000 0.00000000000000 195.084 12 Pt 0.00000000000000 0.50000000000000 0.50000000000000 195.084 13 Pt 0.50000000000000 0.00000000000000 0.50000000000000 195.084 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.228837043172481 0.000000000000000 0.000000000000000 b -3.114418521586241 5.394331115420917 0.000000000000000 c 0.000000000000000 0.000000000000000 15.200262429999999 Atomic positions (fractional): *1 O 0.33333333333333 0.66666666666667 0.06210474648509 15.999 > 1 2 O 0.33333333333333 0.66666666666667 0.27122858684825 15.999 > 2 *3 O 0.48200908460269 0.51799091539731 0.40484012927498 15.999 > 3 4 O 0.48200908460269 0.96401816920538 0.40484012927498 15.999 > 4 5 O 0.03598183079462 0.51799091539731 0.40484012927498 15.999 > 5 6 O 0.18465758206398 0.36931516412795 0.92849320405835 15.999 > 6 7 O 0.18465758206398 0.81534241793602 0.92849320405835 15.999 > 7 8 O 0.63068483587205 0.81534241793602 0.92849320405835 15.999 > 8 9 O 0.00000000000000 0.00000000000000 0.39543807981842 15.999 > 1 10 O 0.00000000000000 0.00000000000000 0.60456192018158 15.999 > 2 11 O 0.14867575126936 0.85132424873064 0.73817346260832 15.999 > 3 12 O 0.14867575126936 0.29735150253871 0.73817346260832 15.999 > 4 13 O 0.70264849746129 0.85132424873064 0.73817346260832 15.999 > 5 14 O 0.85132424873064 0.70264849746129 0.26182653739168 15.999 > 6 15 O 0.85132424873064 0.14867575126936 0.26182653739168 15.999 > 7 16 O 0.29735150253871 0.14867575126936 0.26182653739168 15.999 > 8 17 O 0.66666666666667 0.33333333333333 0.72877141315175 15.999 > 1 18 O 0.66666666666667 0.33333333333333 0.93789525351491 15.999 > 2 19 O 0.81534241793602 0.18465758206398 0.07150679594165 15.999 > 3 20 O 0.81534241793602 0.63068483587205 0.07150679594165 15.999 > 4 21 O 0.36931516412795 0.18465758206398 0.07150679594165 15.999 > 5 22 O 0.51799091539731 0.03598183079462 0.59515987072502 15.999 > 6 23 O 0.51799091539731 0.48200908460269 0.59515987072502 15.999 > 7 24 O 0.96401816920538 0.48200908460269 0.59515987072502 15.999 > 8 *25 Ca 0.33333333333333 0.66666666666667 0.81121567891916 40.078 > 9 26 Ca 0.33333333333333 0.66666666666667 0.52211765441417 40.078 > 10 27 Ca 0.00000000000000 0.00000000000000 0.14454901225250 40.078 > 9 28 Ca 0.00000000000000 0.00000000000000 0.85545098774751 40.078 > 10 29 Ca 0.66666666666667 0.33333333333333 0.47788234558583 40.078 > 9 30 Ca 0.66666666666667 0.33333333333333 0.18878432108084 40.078 > 10 *31 Pt 0.50000000000000 0.00000000000000 0.00000000000000 195.084 > 11 32 Pt 0.66666666666667 0.83333333333333 0.33333333333333 195.084 > 12 33 Pt 0.50000000000000 0.50000000000000 0.00000000000000 195.084 > 13 34 Pt 0.16666666666667 0.33333333333333 0.33333333333333 195.084 > 11 35 Pt 0.33333333333333 0.16666666666667 0.66666666666667 195.084 > 12 36 Pt 0.16666666666667 0.83333333333333 0.33333333333333 195.084 > 13 37 Pt 0.83333333333333 0.66666666666667 0.66666666666667 195.084 > 11 38 Pt 0.00000000000000 0.50000000000000 0.00000000000000 195.084 > 12 39 Pt 0.83333333333333 0.16666666666667 0.66666666666667 195.084 > 13 -------------------------------- super cell -------------------------------- Lattice vectors: a 6.228837043172481 0.000000000000000 0.000000000000000 b -3.114418521586241 5.394331115420917 0.000000000000000 c 0.000000000000000 0.000000000000000 15.200262429999999 Atomic positions (fractional): *1 O 0.33333333333333 0.66666666666667 0.06210474648509 15.999 > 1 2 O 0.33333333333333 0.66666666666667 0.27122858684825 15.999 > 2 *3 O 0.48200908460269 0.51799091539731 0.40484012927498 15.999 > 3 4 O 0.48200908460269 0.96401816920538 0.40484012927498 15.999 > 4 5 O 0.03598183079462 0.51799091539731 0.40484012927498 15.999 > 5 6 O 0.18465758206398 0.36931516412795 0.92849320405835 15.999 > 6 7 O 0.18465758206398 0.81534241793602 0.92849320405835 15.999 > 7 8 O 0.63068483587205 0.81534241793602 0.92849320405835 15.999 > 8 9 O 0.00000000000000 0.00000000000000 0.39543807981842 15.999 > 1 10 O 0.00000000000000 0.00000000000000 0.60456192018158 15.999 > 2 11 O 0.14867575126936 0.85132424873064 0.73817346260832 15.999 > 3 12 O 0.14867575126936 0.29735150253871 0.73817346260832 15.999 > 4 13 O 0.70264849746129 0.85132424873064 0.73817346260832 15.999 > 5 14 O 0.85132424873064 0.70264849746129 0.26182653739168 15.999 > 6 15 O 0.85132424873064 0.14867575126936 0.26182653739168 15.999 > 7 16 O 0.29735150253871 0.14867575126936 0.26182653739168 15.999 > 8 17 O 0.66666666666667 0.33333333333333 0.72877141315175 15.999 > 1 18 O 0.66666666666667 0.33333333333333 0.93789525351491 15.999 > 2 19 O 0.81534241793602 0.18465758206398 0.07150679594165 15.999 > 3 20 O 0.81534241793602 0.63068483587205 0.07150679594165 15.999 > 4 21 O 0.36931516412795 0.18465758206398 0.07150679594165 15.999 > 5 22 O 0.51799091539731 0.03598183079462 0.59515987072502 15.999 > 6 23 O 0.51799091539731 0.48200908460269 0.59515987072502 15.999 > 7 24 O 0.96401816920538 0.48200908460269 0.59515987072502 15.999 > 8 *25 Ca 0.33333333333333 0.66666666666667 0.81121567891916 40.078 > 9 26 Ca 0.33333333333333 0.66666666666667 0.52211765441417 40.078 > 10 27 Ca 0.00000000000000 0.00000000000000 0.14454901225250 40.078 > 9 28 Ca 0.00000000000000 0.00000000000000 0.85545098774751 40.078 > 10 29 Ca 0.66666666666667 0.33333333333333 0.47788234558583 40.078 > 9 30 Ca 0.66666666666667 0.33333333333333 0.18878432108084 40.078 > 10 *31 Pt 0.50000000000000 0.00000000000000 0.00000000000000 195.084 > 11 32 Pt 0.66666666666667 0.83333333333333 0.33333333333333 195.084 > 12 33 Pt 0.50000000000000 0.50000000000000 0.00000000000000 195.084 > 13 34 Pt 0.16666666666667 0.33333333333333 0.33333333333333 195.084 > 11 35 Pt 0.33333333333333 0.16666666666667 0.66666666666667 195.084 > 12 36 Pt 0.16666666666667 0.83333333333333 0.33333333333333 195.084 > 13 37 Pt 0.83333333333333 0.66666666666667 0.66666666666667 195.084 > 11 38 Pt 0.00000000000000 0.50000000000000 0.00000000000000 195.084 > 12 39 Pt 0.83333333333333 0.16666666666667 0.66666666666667 195.084 > 13 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.5098220 -0.0000000 0.0000000 -0.0000000 6.5098220 0.0000000 0.0000000 0.0000000 4.0587673 -------------------------- Born effective charges -------------------------- 1 O -2.0750283 0.0000000 -0.0000000 -0.0000000 -2.0750283 0.0000000 0.0000000 -0.0000000 -0.4131430 2 O -2.0750283 0.0000000 -0.0000000 -0.0000000 -2.0750283 0.0000000 0.0000000 -0.0000000 -0.4131430 3 O -1.5208885 -0.5623955 -0.3415213 -0.5623955 -2.1702870 0.1971774 -0.4903147 0.2830834 -1.4731744 4 O -2.4949862 0.0000000 -0.0000000 0.0000000 -1.1961893 -0.3943549 0.0000000 -0.5661667 -1.4731744 5 O -1.5208885 0.5623955 0.3415213 0.5623955 -2.1702870 0.1971774 0.4903147 0.2830834 -1.4731744 6 O -2.4949862 0.0000000 -0.0000000 0.0000000 -1.1961893 -0.3943549 0.0000000 -0.5661667 -1.4731744 7 O -1.5208885 -0.5623955 -0.3415213 -0.5623955 -2.1702870 0.1971774 -0.4903147 0.2830834 -1.4731744 8 O -1.5208885 0.5623955 0.3415213 0.5623955 -2.1702870 0.1971774 0.4903147 0.2830834 -1.4731744 9 Ca 2.1305918 -0.0000000 -0.0000000 -0.0000000 2.1305918 0.0000000 0.0000000 -0.0000000 3.4009560 10 Ca 2.1305918 -0.0000000 -0.0000000 -0.0000000 2.1305918 0.0000000 0.0000000 -0.0000000 3.4009560 11 Pt 2.4490087 0.0000000 0.0000000 -0.0000000 4.8592576 1.1662167 -0.0000000 0.7144264 0.9544734 12 Pt 4.2566954 1.0436684 -1.0099733 1.0436684 3.0515709 -0.5831083 -0.6187114 -0.3572132 0.9544734 13 Pt 4.2566954 -1.0436684 1.0099733 -1.0436684 3.0515709 -0.5831083 0.6187114 -0.3572132 0.9544734 ---------------------------------------------------------------------------- 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: 117/117 Permutation basis: 2955/2955 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 238 Number of blocks in projector: 220 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 106 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 78 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (238, 224), data: False |-- (54, 50), data: True |-- (78, 74), data: True |-- (106, 100), data: True ----- Solver_atoms: 1 -- 39 / 39 Time (Solver_compr_matrix_reshape): 0.001 Solver_block: 100 / 160 - Time: 0.054 Solver_block: 160 / 160 - Time: 0.029 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.085 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 117/117 Permutation basis: 2955/2955 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 238 Number of blocks in projector: 220 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 106 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 78 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (238, 224), data: False |-- (54, 50), data: True |-- (78, 74), data: True |-- (106, 100), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 22:58:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:58:51]------------------------- 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 1 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.114418521586244 1.798110371806970 5.066754143333328 b -3.114418521586237 1.798110371806970 5.066754143333328 c 0.000000000000003 -3.596220743613946 5.066754143333328 Atomic positions (fractional): 1 O 0.39543807981842 0.39543807981842 0.39543807981842 15.999 2 O 0.60456192018158 0.60456192018158 0.60456192018158 15.999 3 O 0.88684921387767 0.44082196006960 0.88684921387767 15.999 4 O 0.88684921387767 0.88684921387767 0.44082196006960 15.999 5 O 0.44082196006960 0.88684921387767 0.88684921387767 15.999 6 O 0.11315078612233 0.11315078612233 0.55917803993040 15.999 7 O 0.11315078612233 0.55917803993040 0.11315078612233 15.999 8 O 0.55917803993040 0.11315078612233 0.11315078612233 15.999 9 Ca 0.14454901225250 0.14454901225250 0.14454901225250 40.078 10 Ca 0.85545098774751 0.85545098774751 0.85545098774751 40.078 11 Pt 0.50000000000000 0.50000000000000 0.00000000000000 195.084 12 Pt 0.00000000000000 0.50000000000000 0.50000000000000 195.084 13 Pt 0.50000000000000 0.00000000000000 0.50000000000000 195.084 -------------------------------- supercell --------------------------------- Lattice vectors: a 6.228837043172481 0.000000000000000 0.000000000000000 b -3.114418521586241 5.394331115420917 0.000000000000000 c 0.000000000000000 0.000000000000000 15.200262429999999 Atomic positions (fractional): 1 O 0.33333333333333 0.66666666666667 0.06210474648509 15.999 > 1 2 O 0.33333333333333 0.66666666666667 0.27122858684825 15.999 > 2 3 O 0.48200908460269 0.51799091539731 0.40484012927498 15.999 > 3 4 O 0.48200908460269 0.96401816920538 0.40484012927498 15.999 > 4 5 O 0.03598183079462 0.51799091539731 0.40484012927498 15.999 > 5 6 O 0.18465758206398 0.36931516412795 0.92849320405835 15.999 > 6 7 O 0.18465758206398 0.81534241793602 0.92849320405835 15.999 > 7 8 O 0.63068483587205 0.81534241793602 0.92849320405835 15.999 > 8 9 O 0.00000000000000 0.00000000000000 0.39543807981842 15.999 > 1 10 O 0.00000000000000 0.00000000000000 0.60456192018158 15.999 > 2 11 O 0.14867575126936 0.85132424873064 0.73817346260832 15.999 > 3 12 O 0.14867575126936 0.29735150253871 0.73817346260832 15.999 > 4 13 O 0.70264849746129 0.85132424873064 0.73817346260832 15.999 > 5 14 O 0.85132424873064 0.70264849746129 0.26182653739168 15.999 > 6 15 O 0.85132424873064 0.14867575126936 0.26182653739168 15.999 > 7 16 O 0.29735150253871 0.14867575126936 0.26182653739168 15.999 > 8 17 O 0.66666666666667 0.33333333333333 0.72877141315175 15.999 > 1 18 O 0.66666666666667 0.33333333333333 0.93789525351491 15.999 > 2 19 O 0.81534241793602 0.18465758206398 0.07150679594165 15.999 > 3 20 O 0.81534241793602 0.63068483587205 0.07150679594165 15.999 > 4 21 O 0.36931516412795 0.18465758206398 0.07150679594165 15.999 > 5 22 O 0.51799091539731 0.03598183079462 0.59515987072502 15.999 > 6 23 O 0.51799091539731 0.48200908460269 0.59515987072502 15.999 > 7 24 O 0.96401816920538 0.48200908460269 0.59515987072502 15.999 > 8 25 Ca 0.33333333333333 0.66666666666667 0.81121567891916 40.078 > 25 26 Ca 0.33333333333333 0.66666666666667 0.52211765441417 40.078 > 26 27 Ca 0.00000000000000 0.00000000000000 0.14454901225250 40.078 > 25 28 Ca 0.00000000000000 0.00000000000000 0.85545098774751 40.078 > 26 29 Ca 0.66666666666667 0.33333333333333 0.47788234558583 40.078 > 25 30 Ca 0.66666666666667 0.33333333333333 0.18878432108084 40.078 > 26 31 Pt 0.50000000000000 0.00000000000000 0.00000000000000 195.084 > 31 32 Pt 0.66666666666667 0.83333333333333 0.33333333333333 195.084 > 32 33 Pt 0.50000000000000 0.50000000000000 0.00000000000000 195.084 > 33 34 Pt 0.16666666666667 0.33333333333333 0.33333333333333 195.084 > 31 35 Pt 0.33333333333333 0.16666666666667 0.66666666666667 195.084 > 32 36 Pt 0.16666666666667 0.83333333333333 0.33333333333333 195.084 > 33 37 Pt 0.83333333333333 0.66666666666667 0.66666666666667 195.084 > 31 38 Pt 0.00000000000000 0.50000000000000 0.00000000000000 195.084 > 32 39 Pt 0.83333333333333 0.16666666666667 0.66666666666667 195.084 > 33 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.5098220 -0.0000000 0.0000000 -0.0000000 6.5098220 0.0000000 0.0000000 0.0000000 4.0587673 -------------------------- Born effective charges -------------------------- 1 O -2.0750283 0.0000000 -0.0000000 -0.0000000 -2.0750283 0.0000000 0.0000000 -0.0000000 -0.4131430 2 O -2.0750283 0.0000000 -0.0000000 -0.0000000 -2.0750283 0.0000000 0.0000000 -0.0000000 -0.4131430 3 O -1.5208885 -0.5623955 -0.3415213 -0.5623955 -2.1702870 0.1971774 -0.4903147 0.2830834 -1.4731744 4 O -2.4949862 0.0000000 -0.0000000 0.0000000 -1.1961893 -0.3943549 0.0000000 -0.5661667 -1.4731744 5 O -1.5208885 0.5623955 0.3415213 0.5623955 -2.1702870 0.1971774 0.4903147 0.2830834 -1.4731744 6 O -2.4949862 0.0000000 -0.0000000 0.0000000 -1.1961893 -0.3943549 0.0000000 -0.5661667 -1.4731744 7 O -1.5208885 -0.5623955 -0.3415213 -0.5623955 -2.1702870 0.1971774 -0.4903147 0.2830834 -1.4731744 8 O -1.5208885 0.5623955 0.3415213 0.5623955 -2.1702870 0.1971774 0.4903147 0.2830834 -1.4731744 9 Ca 2.1305918 -0.0000000 -0.0000000 -0.0000000 2.1305918 0.0000000 0.0000000 -0.0000000 3.4009560 10 Ca 2.1305918 -0.0000000 -0.0000000 -0.0000000 2.1305918 0.0000000 0.0000000 -0.0000000 3.4009560 11 Pt 2.4490087 0.0000000 0.0000000 -0.0000000 4.8592576 1.1662167 -0.0000000 0.7144264 0.9544734 12 Pt 4.2566954 1.0436684 -1.0099733 1.0436684 3.0515709 -0.5831083 -0.6187114 -0.3572132 0.9544734 13 Pt 4.2566954 -1.0436684 1.0099733 -1.0436684 3.0515709 -0.5831083 0.6187114 -0.3572132 0.9544734 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 3, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 31, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xxz) -0.00000000 (xxz) -0.00000000 (xzx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:58:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:58:54]------------------------- 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 1 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.114418521586244 1.798110371806970 5.066754143333328 b -3.114418521586237 1.798110371806970 5.066754143333328 c 0.000000000000003 -3.596220743613946 5.066754143333328 Atomic positions (fractional): 1 O 0.39543807981842 0.39543807981842 0.39543807981842 15.999 2 O 0.60456192018158 0.60456192018158 0.60456192018158 15.999 3 O 0.88684921387767 0.44082196006960 0.88684921387767 15.999 4 O 0.88684921387767 0.88684921387767 0.44082196006960 15.999 5 O 0.44082196006960 0.88684921387767 0.88684921387767 15.999 6 O 0.11315078612233 0.11315078612233 0.55917803993040 15.999 7 O 0.11315078612233 0.55917803993040 0.11315078612233 15.999 8 O 0.55917803993040 0.11315078612233 0.11315078612233 15.999 9 Ca 0.14454901225250 0.14454901225250 0.14454901225250 40.078 10 Ca 0.85545098774751 0.85545098774751 0.85545098774751 40.078 11 Pt 0.50000000000000 0.50000000000000 0.00000000000000 195.084 12 Pt 0.00000000000000 0.50000000000000 0.50000000000000 195.084 13 Pt 0.50000000000000 0.00000000000000 0.50000000000000 195.084 -------------------------------- supercell --------------------------------- Lattice vectors: a 6.228837043172481 0.000000000000000 0.000000000000000 b -3.114418521586241 5.394331115420917 0.000000000000000 c 0.000000000000000 0.000000000000000 15.200262429999999 Atomic positions (fractional): 1 O 0.33333333333333 0.66666666666667 0.06210474648509 15.999 > 1 2 O 0.33333333333333 0.66666666666667 0.27122858684825 15.999 > 2 3 O 0.48200908460269 0.51799091539731 0.40484012927498 15.999 > 3 4 O 0.48200908460269 0.96401816920538 0.40484012927498 15.999 > 4 5 O 0.03598183079462 0.51799091539731 0.40484012927498 15.999 > 5 6 O 0.18465758206398 0.36931516412795 0.92849320405835 15.999 > 6 7 O 0.18465758206398 0.81534241793602 0.92849320405835 15.999 > 7 8 O 0.63068483587205 0.81534241793602 0.92849320405835 15.999 > 8 9 O 0.00000000000000 0.00000000000000 0.39543807981842 15.999 > 1 10 O 0.00000000000000 0.00000000000000 0.60456192018158 15.999 > 2 11 O 0.14867575126936 0.85132424873064 0.73817346260832 15.999 > 3 12 O 0.14867575126936 0.29735150253871 0.73817346260832 15.999 > 4 13 O 0.70264849746129 0.85132424873064 0.73817346260832 15.999 > 5 14 O 0.85132424873064 0.70264849746129 0.26182653739168 15.999 > 6 15 O 0.85132424873064 0.14867575126936 0.26182653739168 15.999 > 7 16 O 0.29735150253871 0.14867575126936 0.26182653739168 15.999 > 8 17 O 0.66666666666667 0.33333333333333 0.72877141315175 15.999 > 1 18 O 0.66666666666667 0.33333333333333 0.93789525351491 15.999 > 2 19 O 0.81534241793602 0.18465758206398 0.07150679594165 15.999 > 3 20 O 0.81534241793602 0.63068483587205 0.07150679594165 15.999 > 4 21 O 0.36931516412795 0.18465758206398 0.07150679594165 15.999 > 5 22 O 0.51799091539731 0.03598183079462 0.59515987072502 15.999 > 6 23 O 0.51799091539731 0.48200908460269 0.59515987072502 15.999 > 7 24 O 0.96401816920538 0.48200908460269 0.59515987072502 15.999 > 8 25 Ca 0.33333333333333 0.66666666666667 0.81121567891916 40.078 > 25 26 Ca 0.33333333333333 0.66666666666667 0.52211765441417 40.078 > 26 27 Ca 0.00000000000000 0.00000000000000 0.14454901225250 40.078 > 25 28 Ca 0.00000000000000 0.00000000000000 0.85545098774751 40.078 > 26 29 Ca 0.66666666666667 0.33333333333333 0.47788234558583 40.078 > 25 30 Ca 0.66666666666667 0.33333333333333 0.18878432108084 40.078 > 26 31 Pt 0.50000000000000 0.00000000000000 0.00000000000000 195.084 > 31 32 Pt 0.66666666666667 0.83333333333333 0.33333333333333 195.084 > 32 33 Pt 0.50000000000000 0.50000000000000 0.00000000000000 195.084 > 33 34 Pt 0.16666666666667 0.33333333333333 0.33333333333333 195.084 > 31 35 Pt 0.33333333333333 0.16666666666667 0.66666666666667 195.084 > 32 36 Pt 0.16666666666667 0.83333333333333 0.33333333333333 195.084 > 33 37 Pt 0.83333333333333 0.66666666666667 0.66666666666667 195.084 > 31 38 Pt 0.00000000000000 0.50000000000000 0.00000000000000 195.084 > 32 39 Pt 0.83333333333333 0.16666666666667 0.66666666666667 195.084 > 33 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.5098220 -0.0000000 0.0000000 -0.0000000 6.5098220 0.0000000 0.0000000 0.0000000 4.0587673 -------------------------- Born effective charges -------------------------- 1 O -2.0750283 0.0000000 -0.0000000 -0.0000000 -2.0750283 0.0000000 0.0000000 -0.0000000 -0.4131430 2 O -2.0750283 0.0000000 -0.0000000 -0.0000000 -2.0750283 0.0000000 0.0000000 -0.0000000 -0.4131430 3 O -1.5208885 -0.5623955 -0.3415213 -0.5623955 -2.1702870 0.1971774 -0.4903147 0.2830834 -1.4731744 4 O -2.4949862 0.0000000 -0.0000000 0.0000000 -1.1961893 -0.3943549 0.0000000 -0.5661667 -1.4731744 5 O -1.5208885 0.5623955 0.3415213 0.5623955 -2.1702870 0.1971774 0.4903147 0.2830834 -1.4731744 6 O -2.4949862 0.0000000 -0.0000000 0.0000000 -1.1961893 -0.3943549 0.0000000 -0.5661667 -1.4731744 7 O -1.5208885 -0.5623955 -0.3415213 -0.5623955 -2.1702870 0.1971774 -0.4903147 0.2830834 -1.4731744 8 O -1.5208885 0.5623955 0.3415213 0.5623955 -2.1702870 0.1971774 0.4903147 0.2830834 -1.4731744 9 Ca 2.1305918 -0.0000000 -0.0000000 -0.0000000 2.1305918 0.0000000 0.0000000 -0.0000000 3.4009560 10 Ca 2.1305918 -0.0000000 -0.0000000 -0.0000000 2.1305918 0.0000000 0.0000000 -0.0000000 3.4009560 11 Pt 2.4490087 0.0000000 0.0000000 -0.0000000 4.8592576 1.1662167 -0.0000000 0.7144264 0.9544734 12 Pt 4.2566954 1.0436684 -1.0099733 1.0436684 3.0515709 -0.5831083 -0.6187114 -0.3572132 0.9544734 13 Pt 4.2566954 -1.0436684 1.0099733 -1.0436684 3.0515709 -0.5831083 0.6187114 -0.3572132 0.9544734 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxz) -0.00000000 (xxz) -0.00000000 (xzx) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- 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 ... [ 10 10 10 ] 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: 0.75, Number of G-points: 307, Lambda: 0.19 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/116) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 3.887 ( 0.000 0.000 0.000) 0.000 4.495 ( 0.000 0.000 0.000) 0.000 4.495 ( 0.000 0.000 0.000) 0.000 5.767 ( 0.000 0.000 0.000) 0.000 5.767 ( 0.000 0.000 0.000) 0.000 5.963 ( 0.000 0.000 0.000) 0.000 6.778 ( 0.000 0.000 0.000) 0.000 7.443 ( 0.000 0.000 0.000) 0.000 7.443 ( 0.000 0.000 0.000) 0.000 7.524 ( 0.000 0.000 0.000) 0.000 7.524 ( 0.000 0.000 0.000) 0.000 7.841 ( 0.000 0.000 0.000) 0.000 7.841 ( 0.000 0.000 0.000) 0.000 8.972 ( 0.000 0.000 0.000) 0.000 11.231 ( 0.000 0.000 0.000) 0.000 11.390 ( 0.000 0.000 0.000) 0.000 11.390 ( 0.000 0.000 0.000) 0.000 12.780 ( 0.000 0.000 0.000) 0.000 13.880 ( 0.000 0.000 0.000) 0.000 15.265 ( 0.000 0.000 0.000) 0.000 15.563 ( 0.000 0.000 0.000) 0.000 15.563 ( 0.000 0.000 0.000) 0.000 15.578 ( 0.000 0.000 0.000) 0.000 15.578 ( 0.000 0.000 0.000) 0.000 16.247 ( 0.000 0.000 0.000) 0.000 16.511 ( 0.000 0.000 0.000) 0.000 16.511 ( 0.000 0.000 0.000) 0.000 16.584 ( 0.000 0.000 0.000) 0.000 16.584 ( 0.000 0.000 0.000) 0.000 17.260 ( 0.000 0.000 0.000) 0.000 17.564 ( 0.000 0.000 0.000) 0.000 17.564 ( 0.000 0.000 0.000) 0.000 17.620 ( 0.000 0.000 0.000) 0.000 17.620 ( 0.000 0.000 0.000) 0.000 17.774 ( 0.000 0.000 0.000) 0.000 18.367 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/116) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.548 ( 19.575 11.301 19.895) 30.111 0.798 ( 33.619 19.410 9.604) 39.990 1.154 ( 53.486 30.880 -0.039) 61.760 3.920 ( 3.027 1.748 -0.544) 3.537 4.429 ( -7.321 -4.227 -1.124) 8.528 4.468 ( -2.141 -1.236 -0.985) 2.661 5.730 ( -0.789 -0.455 -6.978) 7.037 5.896 ( 2.881 1.663 -2.195) 3.986 5.966 ( 3.349 1.933 -6.093) 7.216 6.805 ( -16.127 -9.311 29.746) 35.094 7.379 ( -1.568 -0.905 -13.626) 13.746 7.383 ( -0.582 -0.336 -12.357) 12.376 7.538 ( -2.687 -1.551 12.173) 12.562 7.584 ( -4.261 -2.460 -5.191) 7.152 7.978 ( 10.203 5.891 6.506) 13.459 7.985 ( 4.669 2.696 16.145) 17.021 8.928 ( -6.485 -3.744 3.933) 8.458 11.219 ( -1.709 -0.987 2.471) 3.162 11.331 ( -5.504 -3.178 0.085) 6.356 11.507 ( 3.988 2.302 -1.876) 4.972 12.763 ( -4.139 -2.389 3.903) 6.170 13.970 ( 8.427 4.865 -0.607) 9.750 15.258 ( -0.199 -0.115 -1.261) 1.282 15.544 ( -1.663 -0.960 1.186) 2.257 15.551 ( -0.593 -0.342 -1.010) 1.220 15.598 ( 2.095 1.209 -2.368) 3.385 15.810 ( 2.669 1.541 -2.895) 4.228 16.232 ( -1.667 -0.963 0.625) 2.024 16.488 ( -1.294 -0.747 -0.994) 1.795 16.601 ( 1.255 0.724 -0.189) 1.461 16.629 ( 3.293 1.901 2.561) 4.584 17.188 ( -3.792 -2.189 -3.886) 5.855 17.444 ( 2.983 1.722 -11.913) 12.401 17.509 ( -0.953 -0.550 -7.218) 7.302 17.572 ( -1.156 -0.668 6.008) 6.155 17.682 ( 1.223 0.706 8.375) 8.493 17.751 ( 5.400 3.118 -12.059) 13.576 18.365 ( -0.732 -0.423 1.752) 1.945 19.060 ( -7.288 -4.208 8.377) 11.874 ======================= Grid point 2 (3/116) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( 20.512 11.843 17.730) 29.587 1.549 ( 30.087 17.371 10.104) 36.181 2.279 ( 51.255 29.592 0.327) 59.185 3.990 ( 3.792 2.189 -2.403) 4.994 4.193 ( -13.550 -7.823 -1.656) 15.733 4.402 ( -2.901 -1.675 -1.638) 3.729 5.676 ( 1.386 0.800 -8.837) 8.981 5.888 ( -0.297 -0.171 -5.250) 5.261 6.083 ( 9.040 5.219 -3.700) 11.075 6.612 ( -14.298 -8.255 14.331) 21.862 7.207 ( -6.261 -3.615 -12.538) 14.473 7.290 ( -0.054 -0.031 -14.621) 14.622 7.410 ( -10.438 -6.026 -1.171) 12.109 7.559 ( -2.577 -1.488 11.189) 11.578 8.189 ( 4.738 2.735 13.070) 14.169 8.330 ( 17.449 10.074 7.953) 21.661 8.783 ( -7.863 -4.540 1.378) 9.183 11.158 ( -10.601 -6.120 -0.062) 12.241 11.199 ( -1.873 -1.082 3.460) 4.081 11.602 ( 5.515 3.184 -1.147) 6.470 12.674 ( -5.624 -3.247 1.415) 6.646 14.219 ( 14.996 8.658 -1.294) 17.364 15.246 ( 0.328 0.189 -2.211) 2.243 15.511 ( -1.864 -1.076 0.537) 2.218 15.531 ( -0.424 -0.245 -1.500) 1.578 15.627 ( 1.864 1.076 -2.488) 3.290 15.856 ( 3.222 1.860 -2.594) 4.535 16.184 ( -3.279 -1.893 1.484) 4.067 16.456 ( -0.928 -0.536 -1.375) 1.744 16.627 ( 1.388 0.801 -0.896) 1.836 16.747 ( 4.742 2.738 4.435) 7.046 17.042 ( -7.928 -4.577 0.363) 9.162 17.427 ( 1.778 1.026 -8.594) 8.835 17.448 ( -0.596 -0.344 -5.967) 6.007 17.593 ( -1.578 -0.911 9.032) 9.214 17.762 ( 1.115 0.644 7.922) 8.026 17.798 ( 5.133 2.963 -8.455) 10.326 18.357 ( -1.530 -0.883 2.841) 3.346 18.915 ( -9.033 -5.215 1.370) 10.520 ======================= Grid point 3 (4/116) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( 21.467 12.394 14.552) 28.744 2.198 ( 23.729 13.700 10.080) 29.195 3.326 ( 43.737 25.252 1.555) 50.527 3.851 ( -14.609 -8.434 -3.839) 17.300 4.033 ( 2.096 1.210 -3.818) 4.521 4.327 ( -2.557 -1.476 -3.611) 4.664 5.703 ( 5.784 3.339 -5.073) 8.387 5.844 ( -0.188 -0.109 -5.353) 5.358 6.198 ( 0.496 0.286 -5.539) 5.569 6.485 ( -1.977 -1.141 13.556) 13.747 6.955 ( -10.017 -5.783 -9.952) 15.258 7.048 ( -16.112 -9.302 -10.125) 21.181 7.232 ( -3.498 -2.019 -4.537) 6.074 7.572 ( -2.174 -1.255 7.999) 8.384 8.330 ( 0.819 0.473 8.949) 8.999 8.652 ( -3.784 -2.185 0.585) 4.409 8.796 ( 20.728 11.967 6.960) 24.926 10.883 ( -14.627 -8.445 -0.573) 16.899 11.186 ( -1.392 -0.804 3.242) 3.619 11.719 ( 5.797 3.347 -0.722) 6.733 12.550 ( -6.307 -3.642 0.584) 7.306 14.570 ( 18.013 10.400 -1.948) 20.890 15.247 ( 1.249 0.721 -2.569) 2.946 15.475 ( -1.650 -0.953 0.295) 1.928 15.515 ( -0.277 -0.160 -1.130) 1.174 15.636 ( 0.307 0.177 -2.107) 2.137 15.910 ( 3.244 1.873 -2.214) 4.351 16.122 ( -3.218 -1.858 1.872) 4.160 16.432 ( -0.544 -0.314 -1.221) 1.373 16.648 ( 1.244 0.718 -1.335) 1.961 16.723 ( -11.133 -6.427 2.284) 13.056 17.021 ( 6.458 3.728 4.885) 8.915 17.406 ( -0.246 -0.142 -4.086) 4.095 17.409 ( 1.266 0.731 -6.601) 6.761 17.620 ( -1.861 -1.075 10.190) 10.414 17.830 ( 0.853 0.492 6.144) 6.222 17.852 ( 4.801 2.772 -8.184) 9.885 18.336 ( -2.143 -1.237 2.933) 3.838 18.706 ( -10.063 -5.810 -1.380) 11.702 ======================= Grid point 4 (5/116) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( 20.957 12.100 10.524) 26.389 2.666 ( 13.780 7.956 7.430) 17.561 3.374 ( -19.156 -11.060 -3.230) 22.354 4.045 ( 1.296 0.748 -1.551) 2.156 4.238 ( -2.768 -1.598 -5.810) 6.631 4.294 ( 36.825 21.261 -0.910) 42.532 5.817 ( 0.016 0.009 -2.440) 2.440 5.849 ( 8.539 4.930 0.078) 9.860 6.077 ( -6.514 -3.761 -0.102) 7.522 6.543 ( -18.939 -10.934 2.191) 21.978 6.669 ( -10.596 -6.118 -6.969) 14.081 6.692 ( 6.275 3.623 -1.085) 7.327 7.115 ( -4.488 -2.591 -6.096) 8.002 7.573 ( -1.341 -0.774 4.176) 4.454 8.334 ( -3.085 -1.781 3.923) 5.299 8.645 ( 1.357 0.784 0.984) 1.851 9.272 ( 18.819 10.865 4.714) 22.236 10.545 ( -15.331 -8.851 -1.226) 17.745 11.181 ( -0.734 -0.424 1.979) 2.152 11.829 ( 4.449 2.569 -0.421) 5.155 12.428 ( -4.927 -2.845 0.251) 5.695 14.922 ( 14.803 8.547 -2.054) 17.216 15.264 ( 1.535 0.886 -1.945) 2.631 15.448 ( -1.069 -0.617 0.285) 1.267 15.501 ( -0.749 -0.432 -0.109) 0.871 15.615 ( -0.993 -0.573 -1.068) 1.567 15.970 ( 3.729 2.153 -1.535) 4.571 16.080 ( -1.604 -0.926 1.216) 2.216 16.416 ( -0.276 -0.159 -0.676) 0.747 16.457 ( -13.013 -7.513 1.740) 15.126 16.661 ( 0.738 0.426 -1.000) 1.314 17.226 ( 7.679 4.434 5.415) 10.390 17.383 ( -0.056 -0.032 -2.041) 2.042 17.395 ( 1.064 0.614 -5.564) 5.697 17.643 ( -2.124 -1.226 9.455) 9.767 17.876 ( 0.471 0.272 3.364) 3.408 17.884 ( 2.928 1.690 -7.816) 8.516 18.307 ( -1.915 -1.106 1.982) 2.970 18.497 ( -7.497 -4.328 -1.602) 8.804 ======================= Grid point 5 (6/116) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.566 ( -0.000 -0.000 0.000) 0.000 2.846 ( 0.000 0.000 0.000) 0.000 3.048 ( 0.000 0.000 0.000) 0.000 4.067 ( -0.000 -0.000 -0.000) 0.000 4.170 ( 0.000 0.000 0.000) 0.000 4.769 ( -0.000 -0.000 0.000) 0.000 5.805 ( 0.000 0.000 0.000) 0.000 5.978 ( 0.000 0.000 0.000) 0.000 5.988 ( -0.000 -0.000 0.000) 0.000 6.250 ( 0.000 0.000 0.000) 0.000 6.497 ( -0.000 -0.000 0.000) 0.000 6.846 ( -0.000 -0.000 0.000) 0.000 6.997 ( 0.000 0.000 -0.000) 0.000 7.572 ( 0.000 0.000 0.000) 0.000 8.307 ( 0.000 0.000 0.000) 0.000 8.669 ( 0.000 0.000 0.000) 0.000 9.540 ( -0.000 -0.000 0.000) 0.000 10.326 ( 0.000 0.000 0.000) 0.000 11.179 ( 0.000 0.000 0.000) 0.000 11.881 ( 0.000 0.000 0.000) 0.000 12.369 ( -0.000 -0.000 0.000) 0.000 15.095 ( 0.000 0.000 0.000) 0.000 15.276 ( 0.000 0.000 0.000) 0.000 15.436 ( 0.000 0.000 0.000) 0.000 15.488 ( 0.000 0.000 0.000) 0.000 15.597 ( -0.000 -0.000 0.000) 0.000 16.028 ( 0.000 0.000 0.000) 0.000 16.068 ( 0.000 0.000 0.000) 0.000 16.286 ( -0.000 -0.000 0.000) 0.000 16.411 ( 0.000 0.000 0.000) 0.000 16.666 ( 0.000 0.000 0.000) 0.000 17.355 ( 0.000 0.000 -0.000) 0.000 17.375 ( 0.000 0.000 0.000) 0.000 17.376 ( 0.000 0.000 0.000) 0.000 17.651 ( -0.000 -0.000 0.000) 0.000 17.883 ( 0.000 0.000 0.000) 0.000 17.893 ( 0.000 0.000 0.000) 0.000 18.291 ( -0.000 -0.000 0.000) 0.000 18.406 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 12 (7/116) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( 0.000 36.094 -0.008) 36.094 0.715 ( -0.000 16.714 29.523) 33.925 1.269 ( 0.000 59.470 11.119) 60.500 3.921 ( 0.000 4.118 -0.415) 4.139 4.412 ( -0.000 -8.309 -2.325) 8.628 4.468 ( -0.000 -2.011 -0.926) 2.214 5.742 ( 0.000 1.654 -6.005) 6.229 5.789 ( 0.000 5.575 -13.617) 14.714 5.917 ( 0.000 -0.460 -5.803) 5.821 7.052 ( -0.000 -31.939 37.265) 49.080 7.219 ( 0.000 -4.644 -18.333) 18.912 7.352 ( 0.000 1.914 -13.969) 14.099 7.563 ( -0.000 -1.782 6.345) 6.591 7.642 ( -0.000 -0.666 1.497) 1.639 8.029 ( -0.000 0.537 17.356) 17.364 8.068 ( -0.000 10.007 12.843) 16.282 8.965 ( -0.000 -10.704 5.954) 12.249 11.245 ( -0.000 -2.355 5.245) 5.750 11.332 ( -0.000 -6.374 0.200) 6.377 11.495 ( 0.000 5.630 -2.375) 6.110 12.794 ( -0.000 -7.872 5.493) 9.599 13.964 ( 0.000 9.648 -1.218) 9.725 15.246 ( 0.000 -0.143 -2.418) 2.422 15.490 ( 0.000 -2.753 -4.200) 5.022 15.562 ( -0.000 -0.188 0.212) 0.283 15.625 ( 0.000 2.849 0.456) 2.885 15.786 ( 0.000 5.219 -5.409) 7.516 16.234 ( -0.000 -2.333 0.826) 2.475 16.496 ( -0.000 -1.166 -0.338) 1.214 16.586 ( 0.000 1.232 -1.773) 2.160 16.629 ( -0.000 2.892 2.477) 3.808 17.125 ( 0.000 6.888 -15.721) 17.163 17.296 ( 0.000 -2.837 -6.077) 6.706 17.527 ( 0.000 2.368 -6.764) 7.166 17.634 ( 0.000 12.508 -13.575) 18.459 17.673 ( -0.000 -2.158 8.916) 9.173 17.724 ( -0.000 -0.189 9.585) 9.587 18.376 ( -0.000 -0.166 1.290) 1.301 19.142 ( -0.000 -12.538 10.879) 16.600 ======================= Grid point 13 (8/116) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 9.923 16.057 23.618) 30.234 1.336 ( 30.282 25.962 5.501) 40.266 2.050 ( 21.645 50.997 7.229) 55.870 3.981 ( 1.519 6.573 -1.286) 6.868 4.255 ( -6.280 -11.538 -2.298) 13.336 4.413 ( -2.809 -2.682 -1.304) 4.097 5.623 ( -3.221 2.412 -11.599) 12.277 5.842 ( 1.407 -0.687 -7.010) 7.182 5.929 ( 9.877 5.682 -10.994) 15.833 6.840 ( -13.637 -19.114 18.033) 29.606 7.056 ( 0.298 -8.260 -16.114) 18.110 7.273 ( -2.115 4.274 -11.021) 12.009 7.527 ( -7.331 -2.736 2.355) 8.172 7.647 ( -1.048 -2.116 8.332) 8.660 8.196 ( 5.675 0.120 14.527) 15.596 8.318 ( 7.050 13.429 11.758) 19.192 8.845 ( -5.423 -8.780 2.057) 10.523 11.215 ( -5.470 -9.330 0.139) 10.816 11.245 ( -1.680 -2.346 5.890) 6.559 11.566 ( 3.106 5.863 -1.140) 6.732 12.720 ( -3.585 -6.182 2.197) 7.476 14.126 ( 7.842 13.347 -1.915) 15.598 15.228 ( 0.142 0.347 -3.256) 3.277 15.450 ( 1.816 -3.574 -4.245) 5.839 15.576 ( 1.325 -0.286 0.106) 1.360 15.614 ( -3.705 3.767 -1.002) 5.378 15.825 ( 2.239 4.673 -3.929) 6.503 16.204 ( -1.086 -3.590 1.332) 3.980 16.458 ( -1.698 -1.116 -1.258) 2.390 16.605 ( 1.667 0.492 -0.712) 1.878 16.724 ( 4.654 3.732 2.974) 6.666 17.069 ( -2.339 -5.313 -3.413) 6.734 17.266 ( 4.160 -1.783 -7.391) 8.667 17.482 ( -2.423 3.446 -6.346) 7.617 17.673 ( 0.497 5.179 -1.417) 5.392 17.710 ( 1.448 0.145 1.798) 2.313 17.809 ( 1.036 1.426 8.785) 8.960 18.380 ( -0.344 -0.815 1.860) 2.060 19.016 ( -7.923 -9.433 5.210) 13.375 ======================= Grid point 14 (9/116) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( 14.346 14.624 19.009) 27.947 2.085 ( 26.055 25.070 8.073) 37.048 2.923 ( 32.321 32.938 2.837) 46.234 3.968 ( -13.019 -12.545 -2.986) 18.324 4.070 ( 0.887 12.194 -2.541) 12.487 4.324 ( -3.085 -3.591 -2.182) 5.213 5.574 ( 4.133 0.527 -8.333) 9.317 5.799 ( 0.872 -0.178 -7.047) 7.103 6.079 ( 9.066 4.687 -12.081) 15.815 6.614 ( -7.612 -9.426 11.859) 16.954 6.844 ( -2.674 -11.667 -13.745) 18.227 7.196 ( -6.029 5.378 -10.357) 13.135 7.325 ( -13.739 -6.335 3.445) 15.517 7.653 ( -2.151 -2.679 7.905) 8.619 8.345 ( 3.213 -3.186 10.289) 11.240 8.688 ( 4.838 5.768 5.304) 9.209 8.705 ( 4.216 4.654 5.070) 8.071 10.988 ( -10.358 -11.673 -0.326) 15.610 11.232 ( -2.107 -1.648 5.167) 5.819 11.677 ( 4.341 5.644 -0.207) 7.124 12.603 ( -5.072 -5.770 0.787) 7.723 14.420 ( 13.365 15.268 -2.644) 20.463 15.220 ( 0.900 1.346 -3.617) 3.962 15.427 ( 2.483 -3.148 -3.536) 5.346 15.569 ( -3.714 3.107 -0.711) 4.894 15.600 ( 1.223 -1.029 -0.722) 1.754 15.882 ( 2.228 4.427 -2.842) 5.713 16.153 ( -2.056 -3.898 1.875) 4.789 16.418 ( -0.480 -1.558 -1.384) 2.139 16.629 ( 1.256 0.373 -0.613) 1.446 16.805 ( -3.681 -4.797 2.827) 6.675 16.975 ( 3.216 -1.339 0.722) 3.558 17.283 ( 4.319 -0.883 -5.123) 6.758 17.441 ( -1.982 3.469 -4.884) 6.310 17.714 ( -1.467 1.440 6.745) 7.051 17.756 ( 3.743 2.125 -4.180) 6.000 17.884 ( -0.256 1.854 6.983) 7.229 18.371 ( -1.183 -1.519 2.047) 2.810 18.805 ( -10.349 -8.409 1.555) 13.425 ======================= Grid point 15 (10/116) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.098 ( 16.660 13.950 13.538) 25.602 2.693 ( 12.189 25.717 8.085) 29.585 3.521 ( -6.576 -9.948 0.649) 11.943 3.679 ( 18.110 -0.217 -6.920) 19.388 4.220 ( -2.781 -4.013 -3.279) 5.881 4.285 ( 7.421 29.111 -0.625) 30.048 5.642 ( 9.500 -5.883 -1.414) 11.264 5.794 ( 3.447 1.706 -5.334) 6.576 6.090 ( -0.331 -0.891 -7.047) 7.110 6.512 ( -2.363 -15.089 -8.284) 17.375 6.707 ( 2.368 4.260 5.743) 7.532 6.918 ( -22.536 0.353 -6.179) 23.371 7.144 ( -5.796 -2.640 -1.770) 6.610 7.636 ( -2.534 -1.719 4.890) 5.769 8.343 ( -1.450 -8.992 4.227) 10.041 8.661 ( -0.089 2.085 2.008) 2.897 9.136 ( 16.284 13.627 7.297) 22.453 10.674 ( -13.575 -12.468 -1.130) 18.466 11.215 ( -2.015 -1.081 3.615) 4.278 11.798 ( 4.117 5.333 0.358) 6.747 12.469 ( -5.046 -5.470 0.214) 7.445 14.774 ( 14.668 14.809 -3.225) 21.091 15.236 ( 1.711 2.443 -3.242) 4.405 15.424 ( 2.386 -1.755 -2.531) 3.896 15.532 ( -3.151 2.014 -0.585) 3.785 15.596 ( 0.559 -2.674 0.273) 2.745 15.941 ( 2.252 4.021 -1.932) 4.997 16.099 ( -1.753 -3.288 1.683) 4.089 16.395 ( 0.558 -1.922 -1.044) 2.257 16.567 ( -9.438 -11.596 2.145) 15.104 16.670 ( -1.245 1.369 0.039) 1.851 17.113 ( 9.345 0.109 -0.730) 9.374 17.323 ( 3.163 1.208 -0.922) 3.509 17.421 ( -1.177 3.963 -3.607) 5.486 17.737 ( -2.574 1.315 4.995) 5.771 17.809 ( 3.542 1.237 -1.923) 4.216 17.926 ( -1.535 1.747 5.013) 5.526 18.342 ( -1.802 -1.724 1.514) 2.918 18.571 ( -9.497 -7.077 -0.240) 11.847 ======================= Grid point 16 (11/116) ======================= q-point: ( 0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.538 ( 11.451 10.635 6.143) 16.792 2.999 ( -5.947 19.495 1.297) 20.423 3.124 ( -14.883 -9.049 -2.387) 17.581 3.931 ( 13.292 -6.234 -0.918) 14.710 4.139 ( 0.781 -3.618 -1.145) 3.875 4.765 ( 12.200 23.395 -0.611) 26.392 5.661 ( 5.023 -18.864 2.506) 19.682 5.864 ( 6.366 -0.244 -4.287) 7.679 6.026 ( -3.941 -1.829 1.538) 4.609 6.339 ( 3.922 1.317 -8.166) 9.154 6.540 ( -17.295 1.539 -4.897) 18.041 6.900 ( 3.851 6.744 9.188) 12.031 7.003 ( -5.238 -1.841 -4.583) 7.199 7.609 ( -2.493 0.200 1.519) 2.927 8.256 ( 0.650 -8.966 0.021) 8.989 8.695 ( -0.951 2.542 1.413) 3.059 9.506 ( 9.130 7.022 4.236) 12.272 10.359 ( -8.791 -8.273 -1.534) 12.169 11.195 ( -1.592 -0.631 1.558) 2.316 11.896 ( 1.207 4.248 0.880) 4.503 12.362 ( -1.827 -4.181 -0.185) 4.567 15.071 ( 7.989 10.603 -2.949) 13.599 15.269 ( 1.113 2.367 -1.748) 3.146 15.435 ( 1.742 0.370 -1.942) 2.634 15.494 ( -2.701 -0.544 0.596) 2.819 15.583 ( 0.692 -2.264 0.918) 2.539 16.010 ( 3.389 3.422 -0.933) 4.906 16.060 ( -0.644 -2.866 0.604) 2.999 16.315 ( -7.784 -9.593 1.926) 12.503 16.387 ( 1.248 -2.066 -0.453) 2.456 16.685 ( -0.431 2.081 0.962) 2.333 17.205 ( 6.576 -4.590 -4.380) 9.138 17.372 ( 0.732 -0.161 1.339) 1.535 17.448 ( 0.800 6.789 -2.266) 7.202 17.696 ( -5.302 1.022 -2.172) 5.820 17.875 ( 2.539 -0.309 4.446) 5.130 17.938 ( -2.173 2.005 4.215) 5.148 18.309 ( -1.503 -0.874 0.734) 1.887 18.405 ( -3.244 -3.680 -0.885) 4.985 ======================= Grid point 17 (12/116) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.401 ( -22.390 -8.110 -6.914) 24.797 2.913 ( -19.761 11.377 -6.971) 23.844 3.191 ( 16.827 7.713 4.090) 18.957 3.975 ( 1.117 -8.606 3.111) 9.219 4.200 ( 5.805 -2.639 4.753) 7.954 4.771 ( -26.051 0.990 0.096) 26.070 5.618 ( 13.046 -15.836 -1.777) 20.595 5.922 ( -1.269 -1.712 1.960) 2.895 5.983 ( 4.504 1.585 -2.903) 5.588 6.455 ( 5.131 7.067 -0.051) 8.733 6.539 ( 10.125 10.750 -3.156) 15.101 6.820 ( -6.656 -0.764 2.421) 7.123 7.119 ( 5.019 5.235 6.742) 9.902 7.580 ( -2.490 1.959 -1.194) 3.386 8.218 ( 5.189 -6.784 -3.596) 9.267 8.682 ( -3.285 1.142 0.053) 3.478 9.452 ( -15.756 -7.054 -0.961) 17.290 10.380 ( 12.887 4.141 0.499) 13.545 11.175 ( -0.831 -0.203 -0.343) 0.921 11.901 ( -4.604 1.135 1.188) 4.889 12.358 ( 4.533 -0.779 -0.450) 4.622 15.103 ( -10.609 0.676 0.019) 10.630 15.288 ( 0.023 1.258 0.132) 1.265 15.447 ( -1.529 0.370 -0.935) 1.830 15.474 ( 3.074 0.629 -1.046) 3.308 15.592 ( 1.569 -1.837 1.724) 2.968 16.022 ( -1.884 -1.842 0.284) 2.650 16.057 ( 0.020 0.008 0.229) 0.230 16.290 ( 10.478 0.661 -0.483) 10.510 16.393 ( 1.821 -1.798 0.051) 2.559 16.700 ( -1.586 1.878 2.461) 3.478 17.182 ( 0.831 -6.186 -6.440) 8.968 17.375 ( -0.032 -1.206 1.601) 2.004 17.489 ( -1.987 4.001 0.547) 4.501 17.597 ( -2.932 1.309 -5.980) 6.787 17.884 ( -2.039 -0.290 -0.599) 2.145 17.974 ( -2.069 0.392 8.695) 8.946 18.292 ( -0.260 0.410 -0.401) 0.629 18.417 ( 6.522 1.202 -0.015) 6.632 ======================= Grid point 18 (13/116) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( -25.958 -8.550 -8.645) 28.665 2.523 ( -29.566 3.395 -8.826) 31.041 3.518 ( 4.776 -3.406 0.453) 5.884 3.813 ( -8.323 -11.560 6.153) 15.516 4.233 ( -6.793 3.040 -0.015) 7.442 4.358 ( -13.868 2.316 4.564) 14.782 5.658 ( 6.950 -9.890 0.152) 12.089 5.887 ( -1.259 0.167 3.665) 3.878 6.139 ( 10.439 3.173 -1.035) 10.960 6.475 ( -9.729 0.579 -9.466) 13.586 6.739 ( 18.160 -0.457 6.108) 19.165 7.025 ( 12.617 12.488 4.609) 18.341 7.270 ( 2.571 4.364 8.926) 10.263 7.547 ( -2.329 2.302 -3.276) 4.632 8.225 ( 5.014 -4.894 -6.855) 9.802 8.637 ( -1.562 0.545 -0.517) 1.733 9.027 ( -23.300 -8.464 -3.145) 24.989 10.691 ( 17.179 5.189 0.535) 17.953 11.162 ( 0.125 0.149 -1.402) 1.415 11.809 ( -7.054 -0.822 0.991) 7.170 12.460 ( 7.268 1.263 -0.438) 7.389 14.819 ( -19.962 -4.683 1.085) 20.533 15.284 ( -1.877 0.470 1.402) 2.390 15.441 ( 1.404 -0.421 -1.006) 1.778 15.525 ( 1.563 2.882 -0.910) 3.402 15.617 ( 2.318 -2.870 2.324) 4.361 15.978 ( -3.759 0.502 1.685) 4.150 16.070 ( 2.701 -0.198 -1.278) 2.995 16.412 ( 2.080 -1.222 0.475) 2.459 16.534 ( 15.325 2.926 -1.121) 15.642 16.698 ( -2.662 1.341 2.934) 4.182 17.041 ( -5.015 -4.829 -6.750) 9.697 17.380 ( 0.918 -2.644 3.103) 4.179 17.494 ( -1.315 2.510 2.231) 3.607 17.559 ( 0.349 1.901 -6.041) 6.342 17.825 ( -3.099 -0.307 -3.257) 4.506 17.961 ( -4.726 -1.124 6.250) 7.916 18.302 ( 1.271 0.810 -1.478) 2.111 18.595 ( 10.687 3.435 1.590) 11.338 ======================= Grid point 19 (14/116) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( -26.650 -5.763 -7.409) 28.254 1.945 ( -35.999 -2.155 -6.060) 36.570 2.903 ( -47.243 -14.633 0.924) 49.465 4.013 ( 16.071 4.095 1.307) 16.636 4.116 ( -10.100 2.979 2.025) 10.723 4.355 ( 4.242 -1.214 0.912) 4.505 5.693 ( 3.580 -2.802 3.158) 5.536 5.914 ( 0.376 0.336 3.253) 3.292 6.208 ( -9.960 -1.582 0.785) 10.115 6.383 ( 11.572 2.515 -7.344) 13.934 7.061 ( 17.091 -0.856 5.107) 17.858 7.285 ( 7.961 2.026 0.640) 8.240 7.445 ( 4.082 7.367 9.975) 13.055 7.506 ( -1.821 2.240 -4.210) 5.105 8.146 ( -3.190 -4.530 -8.083) 9.799 8.560 ( -23.220 -4.898 -2.952) 23.914 8.682 ( 6.232 1.148 -0.429) 6.351 10.993 ( 14.923 2.888 0.125) 15.200 11.165 ( 1.078 0.281 -1.296) 1.709 11.691 ( -7.003 -0.944 0.649) 7.096 12.587 ( 6.991 1.163 -0.453) 7.101 14.454 ( -20.064 -3.722 0.644) 20.417 15.268 ( -1.223 0.086 1.054) 1.617 15.462 ( 2.219 -0.580 -0.340) 2.319 15.562 ( 0.158 3.291 -0.692) 3.367 15.630 ( 0.790 -3.126 2.050) 3.821 15.928 ( -4.322 0.373 1.462) 4.577 16.123 ( 4.363 0.504 -1.053) 4.516 16.441 ( 1.989 -0.411 0.630) 2.126 16.663 ( -2.878 -0.457 2.681) 3.960 16.740 ( 3.561 0.250 -3.555) 5.038 16.938 ( 3.905 0.147 -2.011) 4.395 17.395 ( 1.697 -3.059 3.260) 4.782 17.519 ( 0.610 2.645 -2.206) 3.498 17.559 ( 0.443 1.239 1.393) 1.916 17.742 ( -3.343 -0.671 -4.678) 5.789 17.904 ( -4.950 -0.928 3.897) 6.368 18.322 ( 1.582 0.523 -1.439) 2.202 18.803 ( 9.939 2.499 0.838) 10.283 ======================= Grid point 20 (15/116) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( -26.713 -0.000 0.000) 26.713 1.292 ( -39.518 -0.000 0.000) 39.518 1.977 ( -57.834 -0.000 0.000) 57.834 3.994 ( -6.612 -0.000 0.000) 6.612 4.281 ( 13.366 0.000 -0.000) 13.366 4.426 ( 4.064 0.000 -0.000) 4.064 5.744 ( 1.947 0.000 -0.000) 1.947 5.922 ( -1.248 -0.000 0.000) 1.248 6.049 ( -6.903 -0.000 0.000) 6.903 6.566 ( 11.218 0.000 -0.000) 11.218 7.319 ( 12.550 0.000 -0.000) 12.550 7.390 ( 4.268 0.000 -0.000) 4.268 7.460 ( -1.266 -0.000 0.000) 1.266 7.600 ( 3.448 0.000 -0.000) 3.448 7.989 ( -7.267 -0.000 0.000) 7.267 8.180 ( -19.049 -0.000 0.000) 19.049 8.815 ( 8.360 0.000 -0.000) 8.360 11.185 ( 1.798 0.000 -0.000) 1.798 11.215 ( 10.684 0.000 -0.000) 10.684 11.584 ( -5.878 -0.000 0.000) 5.878 12.691 ( 5.285 0.000 -0.000) 5.285 14.146 ( -15.639 -0.000 0.000) 15.639 15.261 ( -0.188 -0.000 0.000) 0.188 15.496 ( 2.449 0.000 -0.000) 2.449 15.575 ( -0.490 -0.000 0.000) 0.490 15.619 ( -0.768 -0.000 0.000) 0.768 15.867 ( -3.912 -0.000 0.000) 3.912 16.190 ( 3.681 0.000 -0.000) 3.681 16.473 ( 1.733 0.000 -0.000) 1.733 16.620 ( -2.451 -0.000 0.000) 2.451 16.681 ( -4.723 -0.000 0.000) 4.723 17.087 ( 9.948 0.000 -0.000) 9.948 17.422 ( 2.134 0.000 -0.000) 2.134 17.532 ( 1.012 0.000 -0.000) 1.012 17.606 ( 1.555 0.000 -0.000) 1.555 17.651 ( -3.990 -0.000 0.000) 3.990 17.842 ( -3.923 -0.000 0.000) 3.923 18.343 ( 1.350 0.000 -0.000) 1.350 18.955 ( 7.103 0.000 -0.000) 7.103 ======================= Grid point 23 (16/116) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( 0.000 29.932 0.134) 29.932 1.379 ( -0.000 15.112 25.942) 30.023 2.473 ( 0.000 55.527 8.572) 56.185 4.034 ( 0.000 8.753 -0.367) 8.760 4.165 ( -0.000 -13.984 -2.404) 14.189 4.410 ( -0.000 -2.476 -1.112) 2.714 5.679 ( 0.000 3.041 -9.738) 10.202 5.691 ( 0.000 5.596 -15.968) 16.920 5.814 ( 0.000 0.877 -9.743) 9.783 6.853 ( -0.000 -23.513 12.149) 26.466 6.867 ( 0.000 -7.890 -16.507) 18.296 7.272 ( 0.000 3.727 -5.781) 6.878 7.602 ( -0.000 -3.330 6.002) 6.864 7.656 ( -0.000 -3.663 3.997) 5.422 8.242 ( -0.000 -1.090 14.216) 14.258 8.479 ( 0.000 16.678 11.372) 20.186 8.809 ( -0.000 -9.854 1.040) 9.909 11.161 ( -0.000 -12.345 0.230) 12.348 11.277 ( -0.000 -2.905 6.986) 7.566 11.596 ( 0.000 6.888 -0.501) 6.906 12.697 ( -0.000 -7.282 1.640) 7.465 14.189 ( 0.000 16.786 -2.543) 16.977 15.206 ( 0.000 0.565 -4.026) 4.065 15.367 ( 0.000 -3.218 -5.438) 6.319 15.564 ( -0.000 -0.065 0.689) 0.692 15.690 ( 0.000 3.411 0.300) 3.425 15.818 ( 0.000 6.024 -5.769) 8.340 16.178 ( -0.000 -5.001 1.338) 5.177 16.462 ( -0.000 -1.518 -0.986) 1.810 16.569 ( 0.000 0.466 -3.719) 3.748 16.745 ( 0.000 4.825 3.566) 6.000 17.008 ( -0.000 -6.461 -3.281) 7.246 17.198 ( 0.000 0.303 -3.274) 3.288 17.488 ( 0.000 2.129 -5.465) 5.866 17.666 ( 0.000 6.740 -7.354) 9.975 17.755 ( -0.000 -1.915 9.003) 9.204 17.882 ( -0.000 2.777 9.175) 9.586 18.382 ( -0.000 -1.126 0.814) 1.390 19.017 ( -0.000 -11.898 4.973) 12.896 ======================= Grid point 24 (17/116) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( 7.937 16.228 17.079) 24.861 1.860 ( 27.527 20.974 6.366) 35.188 3.056 ( 5.099 45.734 5.427) 46.337 3.973 ( -5.723 -13.898 -2.744) 15.278 4.153 ( 3.088 13.698 -0.357) 14.046 4.346 ( -3.972 -2.588 -1.062) 4.858 5.525 ( -4.331 3.248 -10.852) 12.127 5.719 ( 2.006 -1.027 -8.563) 8.855 5.872 ( 11.027 6.634 -14.295) 19.234 6.652 ( -5.351 -18.362 1.168) 19.162 6.693 ( -0.226 -7.793 -7.796) 11.025 7.256 ( -2.743 2.990 -2.848) 4.957 7.499 ( -10.117 -5.161 3.345) 11.839 7.664 ( 1.241 -5.764 4.482) 7.406 8.324 ( 2.132 -5.812 10.455) 12.151 8.714 ( -2.385 -4.929 1.063) 5.577 8.764 ( 5.791 18.779 9.703) 21.917 10.991 ( -5.323 -14.743 -0.043) 15.674 11.283 ( -1.621 -2.246 6.281) 6.865 11.679 ( 2.470 6.547 0.282) 7.003 12.615 ( -2.945 -6.772 0.825) 7.431 14.393 ( 6.953 18.369 -3.169) 19.895 15.192 ( 0.885 1.235 -4.412) 4.666 15.324 ( 2.468 -2.928 -4.845) 6.175 15.574 ( 0.453 -0.518 1.128) 1.322 15.673 ( -4.730 3.758 -1.139) 6.148 15.867 ( 2.692 5.392 -4.260) 7.381 16.138 ( -0.227 -5.325 1.681) 5.589 16.413 ( -2.024 -1.747 -1.449) 3.041 16.584 ( 3.358 -0.802 -2.627) 4.338 16.823 ( -0.177 0.643 2.995) 3.068 16.904 ( 0.133 -7.380 -0.994) 7.448 17.219 ( 2.360 3.091 -1.566) 4.192 17.464 ( -1.103 2.248 -4.335) 5.007 17.699 ( 2.078 5.315 -5.859) 8.179 17.792 ( -0.549 -1.443 8.694) 8.830 17.963 ( -0.610 2.986 7.797) 8.372 18.369 ( -0.111 -2.098 -0.005) 2.101 18.877 ( -6.833 -11.098 3.573) 13.514 ======================= Grid point 25 (18/116) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.098 ( 11.185 13.944 14.391) 22.949 2.605 ( 34.560 18.741 5.817) 39.743 3.449 ( 0.899 18.986 1.012) 19.034 3.690 ( -12.370 -7.804 -5.143) 15.504 4.229 ( -5.325 -3.295 -1.901) 6.544 4.427 ( 8.088 25.822 0.245) 27.061 5.466 ( 2.657 -4.150 -3.829) 6.241 5.700 ( 3.582 -0.391 -7.377) 8.210 5.984 ( 6.887 4.281 -11.763) 14.287 6.382 ( -5.253 -16.170 -5.375) 17.831 6.681 ( 6.106 0.497 0.719) 6.169 7.180 ( -9.786 4.355 -6.670) 12.619 7.256 ( -13.355 -7.791 6.269) 16.684 7.642 ( 0.691 -5.884 1.470) 6.104 8.293 ( -1.585 -11.890 4.875) 12.948 8.700 ( 0.112 2.168 2.947) 3.660 9.121 ( 9.626 17.820 7.868) 21.728 10.725 ( -9.552 -15.789 -0.739) 18.469 11.268 ( -2.538 -1.448 4.620) 5.466 11.793 ( 3.788 6.111 0.766) 7.231 12.495 ( -4.711 -6.320 0.317) 7.889 14.691 ( 11.390 17.700 -3.753) 21.380 15.206 ( 2.284 2.667 -4.131) 5.421 15.326 ( 4.103 -2.015 -3.730) 5.900 15.575 ( -0.269 -2.314 2.032) 3.091 15.617 ( -4.801 3.428 -1.642) 6.123 15.933 ( 2.391 4.797 -2.827) 6.059 16.093 ( -0.883 -4.985 1.777) 5.366 16.365 ( -0.471 -2.292 -1.140) 2.603 16.574 ( -2.376 -8.545 0.915) 8.917 16.709 ( -3.356 -3.596 -0.013) 4.918 16.966 ( 6.260 0.279 -1.629) 6.475 17.299 ( 3.124 4.059 1.168) 5.253 17.446 ( -0.723 2.824 -3.207) 4.334 17.746 ( 2.417 4.841 -5.427) 7.663 17.826 ( -0.677 -1.215 8.337) 8.452 18.013 ( -2.056 2.479 5.953) 6.769 18.338 ( -0.386 -2.915 -1.042) 3.119 18.665 ( -9.725 -9.017 2.619) 13.519 ======================= Grid point 26 (19/116) ======================= q-point: ( 0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.497 ( 12.800 12.805 8.407) 19.962 3.242 ( -10.607 -5.024 -0.137) 11.738 3.329 ( 10.240 17.292 6.315) 21.065 3.607 ( 4.409 4.872 -7.492) 9.965 4.107 ( -3.298 -3.553 -2.172) 5.312 4.816 ( 8.837 23.351 -0.858) 24.982 5.415 ( 3.100 -19.800 1.198) 20.077 5.731 ( 5.968 0.093 -6.409) 8.758 6.070 ( 4.058 6.520 -1.757) 7.878 6.178 ( 0.783 -7.287 -5.027) 8.887 6.783 ( -6.085 -1.177 -3.476) 7.106 6.948 ( -4.930 7.304 0.304) 8.818 7.103 ( -8.152 -2.378 3.807) 9.306 7.614 ( 1.822 -3.047 -2.332) 4.248 8.160 ( -2.339 -12.995 1.919) 13.343 8.750 ( -0.387 3.372 2.320) 4.111 9.477 ( 9.343 13.532 5.996) 17.503 10.406 ( -10.444 -14.138 -1.740) 17.663 11.237 ( -2.818 -0.910 2.553) 3.910 11.917 ( 3.470 6.111 1.142) 7.119 12.360 ( -4.402 -6.184 -0.121) 7.592 15.003 ( 11.151 13.718 -4.171) 18.163 15.261 ( 2.744 5.082 -3.006) 6.511 15.365 ( 4.436 -0.519 -2.493) 5.115 15.544 ( -1.828 -3.885 2.758) 5.104 15.575 ( -2.341 2.796 -0.967) 3.772 15.990 ( 1.405 2.394 -1.166) 3.011 16.042 ( -0.574 -4.196 0.698) 4.292 16.339 ( 0.523 -2.842 -0.666) 2.966 16.366 ( -8.209 -12.102 2.762) 14.882 16.712 ( 1.157 2.626 0.117) 2.872 17.036 ( 5.704 -2.662 -3.625) 7.263 17.375 ( 0.776 1.114 2.183) 2.571 17.463 ( 1.240 4.778 -3.405) 5.997 17.770 ( -2.355 4.598 -4.557) 6.889 17.868 ( 1.639 -1.420 7.447) 7.756 18.028 ( -2.324 1.905 4.909) 5.756 18.295 ( 0.028 -2.833 -2.123) 3.540 18.463 ( -8.141 -5.428 2.102) 10.008 ======================= Grid point 27 (20/116) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.656 ( -17.266 -0.259 -3.431) 17.606 3.020 ( 9.734 -0.075 4.175) 10.592 3.386 ( -22.477 19.565 -7.314) 30.683 3.895 ( 11.151 0.676 7.697) 13.566 4.074 ( 6.190 -3.048 0.685) 6.933 5.055 ( -0.658 9.770 -2.352) 10.071 5.227 ( 5.326 -24.300 -1.192) 24.905 5.815 ( 8.300 0.693 -3.503) 9.036 6.060 ( -8.905 0.580 3.825) 9.709 6.288 ( 12.161 -0.411 -3.169) 12.574 6.634 ( -2.771 12.521 -2.448) 13.055 6.918 ( -7.198 -3.355 -0.773) 7.979 7.137 ( 4.264 5.350 7.375) 10.060 7.625 ( 1.395 3.823 -3.526) 5.385 8.029 ( 1.905 -13.682 -1.039) 13.853 8.759 ( -3.312 2.275 0.858) 4.109 9.625 ( -8.568 1.166 2.647) 9.043 10.230 ( 5.717 -3.370 -1.101) 6.727 11.199 ( -2.368 -0.484 0.735) 2.526 12.001 ( -2.377 4.995 1.552) 5.745 12.271 ( 1.901 -4.839 -0.723) 5.249 15.213 ( 4.653 8.491 -3.688) 10.361 15.304 ( -2.440 2.945 -0.635) 3.877 15.404 ( 2.369 -1.926 -0.209) 3.060 15.495 ( -2.188 -0.612 0.190) 2.279 15.587 ( -0.879 2.621 0.782) 2.873 15.952 ( 2.430 -8.795 0.798) 9.159 16.076 ( 2.604 4.195 -1.357) 5.121 16.194 ( -2.301 -5.663 2.021) 6.438 16.338 ( 2.082 -2.364 -0.240) 3.159 16.763 ( -0.056 3.587 2.741) 4.515 17.047 ( 3.509 -4.956 -5.373) 8.108 17.383 ( -0.813 -0.594 1.585) 1.878 17.502 ( 1.273 3.520 -4.168) 5.602 17.691 ( -7.370 1.665 -1.364) 7.678 17.910 ( -0.713 -0.588 2.028) 2.229 18.067 ( -1.127 2.007 7.358) 7.709 18.285 ( 3.546 -0.671 -2.248) 4.252 18.348 ( -2.282 -1.996 0.503) 3.073 ======================= Grid point 28 (21/116) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( -27.276 -3.902 -3.559) 27.782 3.031 ( -30.251 8.700 -5.828) 32.012 3.326 ( 16.194 1.872 1.560) 16.376 3.909 ( -7.956 -4.427 5.757) 10.772 4.180 ( 5.802 -2.685 1.055) 6.480 4.824 ( -26.206 3.315 0.465) 26.419 5.328 ( 20.257 -9.503 -2.118) 22.476 5.934 ( -2.674 -1.480 3.405) 4.575 5.970 ( 9.199 1.772 -3.662) 10.058 6.489 ( 15.358 -0.313 1.059) 15.398 6.636 ( -12.080 3.522 -4.287) 13.293 6.946 ( 10.404 5.161 3.436) 12.111 7.286 ( 5.279 2.332 4.833) 7.528 7.642 ( -5.187 6.410 -0.265) 8.250 7.994 ( 10.070 -9.554 -4.081) 14.468 8.702 ( -5.234 0.772 -0.056) 5.291 9.328 ( -22.222 -3.892 -0.379) 22.563 10.448 ( 17.160 2.004 0.190) 17.278 11.167 ( -1.333 -0.124 -0.208) 1.355 11.938 ( -8.038 0.827 0.814) 8.121 12.337 ( 8.029 -0.602 -0.367) 8.060 15.115 ( -17.795 0.401 0.022) 17.800 15.328 ( -0.372 2.826 -0.097) 2.852 15.399 ( 1.887 -3.624 0.340) 4.100 15.506 ( 2.603 3.965 -2.816) 5.516 15.575 ( -0.166 -2.826 2.528) 3.795 15.982 ( 4.887 -1.487 -0.160) 5.110 16.074 ( -3.958 0.527 0.445) 4.018 16.293 ( 14.207 0.230 -0.317) 14.213 16.361 ( 2.997 -1.211 0.052) 3.233 16.795 ( -3.364 3.148 4.218) 6.247 16.990 ( 0.395 -4.708 -6.015) 7.649 17.372 ( -0.403 -0.861 0.945) 1.340 17.514 ( 0.334 1.736 -2.975) 3.461 17.594 ( -4.820 0.724 0.708) 4.925 17.870 ( -3.762 -0.169 -0.512) 3.800 18.062 ( -4.601 -0.140 3.584) 5.834 18.294 ( -0.427 0.219 -0.218) 0.527 18.443 ( 11.396 1.020 0.171) 11.443 ======================= Grid point 29 (22/116) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( -28.279 -0.000 0.000) 28.279 2.510 ( -35.738 -0.000 0.000) 35.738 3.409 ( -17.526 -0.000 0.000) 17.526 3.815 ( 6.682 0.000 -0.000) 6.682 4.263 ( 5.636 0.000 -0.000) 5.636 4.415 ( -23.556 -0.000 0.000) 23.556 5.555 ( 12.470 0.000 -0.000) 12.470 5.917 ( 0.375 0.000 -0.000) 0.375 6.162 ( 12.878 0.000 -0.000) 12.878 6.413 ( -13.944 -0.000 0.000) 13.944 6.774 ( 18.931 0.000 -0.000) 18.931 7.154 ( 9.964 0.000 -0.000) 9.964 7.416 ( 6.390 0.000 -0.000) 6.390 7.578 ( -5.300 -0.000 0.000) 5.300 8.082 ( 5.814 0.000 -0.000) 5.814 8.640 ( -1.410 -0.000 0.000) 1.410 8.921 ( -24.799 -0.000 0.000) 24.799 10.744 ( 17.523 0.000 -0.000) 17.523 11.154 ( -0.087 -0.000 0.000) 0.087 11.811 ( -8.018 -0.000 0.000) 8.018 12.468 ( 8.138 0.000 -0.000) 8.138 14.782 ( -21.867 -0.000 0.000) 21.867 15.302 ( -2.491 -0.000 0.000) 2.491 15.425 ( 2.121 0.000 -0.000) 2.121 15.572 ( 0.721 0.000 -0.000) 0.721 15.580 ( 3.649 0.000 -0.000) 3.649 16.007 ( -4.468 -0.000 0.000) 4.468 16.050 ( 4.264 0.000 -0.000) 4.264 16.400 ( 2.841 0.000 -0.000) 2.841 16.551 ( 15.574 0.000 -0.000) 15.574 16.750 ( -5.304 -0.000 0.000) 5.304 16.930 ( -2.152 -0.000 0.000) 2.152 17.373 ( 0.678 0.000 -0.000) 0.678 17.513 ( 0.042 0.000 -0.000) 0.042 17.564 ( -0.213 -0.000 0.000) 0.213 17.795 ( -4.749 -0.000 0.000) 4.749 17.992 ( -5.059 -0.000 0.000) 5.059 18.299 ( 0.932 0.000 -0.000) 0.932 18.642 ( 11.744 0.000 -0.000) 11.744 ======================= Grid point 34 (23/116) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( 0.000 20.481 0.233) 20.482 1.939 ( -0.000 12.410 19.557) 23.162 3.478 ( 0.000 36.520 4.090) 36.748 3.903 ( -0.000 -4.095 -2.066) 4.587 4.235 ( 0.000 12.191 0.764) 12.214 4.358 ( -0.000 -1.428 -1.043) 1.768 5.592 ( 0.000 1.315 -9.623) 9.712 5.606 ( 0.000 3.642 -10.573) 11.183 5.730 ( 0.000 7.676 -12.395) 14.579 6.510 ( 0.000 -10.016 -11.768) 15.453 6.571 ( -0.000 -16.959 4.510) 17.548 7.294 ( 0.000 1.563 0.474) 1.633 7.557 ( -0.000 -10.792 -0.421) 10.800 7.592 ( -0.000 -5.000 4.428) 6.678 8.306 ( -0.000 -8.368 7.820) 11.453 8.708 ( -0.000 -1.648 2.367) 2.884 8.970 ( 0.000 21.761 8.255) 23.274 10.884 ( -0.000 -17.403 -0.103) 17.403 11.318 ( -0.000 -2.042 5.989) 6.328 11.722 ( 0.000 6.164 0.658) 6.199 12.582 ( -0.000 -6.406 0.640) 6.437 14.491 ( 0.000 19.186 -3.509) 19.504 15.159 ( 0.000 0.490 -4.903) 4.927 15.251 ( 0.000 -1.732 -4.041) 4.396 15.581 ( -0.000 0.245 1.706) 1.724 15.749 ( 0.000 2.307 0.258) 2.321 15.851 ( 0.000 5.977 -6.326) 8.703 16.100 ( -0.000 -5.052 1.667) 5.320 16.416 ( -0.000 -1.688 -1.253) 2.102 16.507 ( 0.000 -1.379 -3.752) 3.998 16.805 ( -0.000 -12.558 0.230) 12.560 16.882 ( 0.000 4.904 2.905) 5.700 17.233 ( 0.000 4.796 0.476) 4.819 17.462 ( 0.000 1.462 -3.682) 3.961 17.701 ( 0.000 5.375 -4.112) 6.768 17.833 ( -0.000 -1.419 7.314) 7.450 18.049 ( -0.000 3.161 6.862) 7.555 18.342 ( -0.000 -2.963 -1.172) 3.186 18.850 ( -0.000 -11.694 3.613) 12.239 ======================= Grid point 35 (24/116) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( 14.247 14.529 5.873) 21.179 2.254 ( 19.173 10.170 9.543) 23.709 3.584 ( -3.686 -7.874 1.038) 8.756 3.934 ( -11.153 28.064 -2.697) 30.320 4.293 ( -5.356 -2.044 0.010) 5.733 4.479 ( 11.533 19.599 -0.042) 22.740 5.457 ( -6.490 0.313 -5.576) 8.562 5.588 ( 2.502 -0.842 -8.203) 8.617 5.836 ( 7.815 7.788 -10.596) 15.297 6.302 ( -4.338 -11.359 -4.439) 12.944 6.541 ( 7.972 -6.191 1.366) 10.186 7.282 ( -3.450 0.386 1.187) 3.669 7.382 ( -6.364 -10.961 -1.579) 12.772 7.556 ( -0.549 -7.212 0.458) 7.247 8.251 ( -1.675 -9.642 4.547) 10.791 8.732 ( 0.581 1.666 3.397) 3.828 9.254 ( 3.395 21.928 6.682) 23.173 10.674 ( -4.648 -18.774 -0.609) 19.350 11.322 ( -1.798 -1.361 4.556) 5.083 11.800 ( 2.465 5.290 0.829) 5.894 12.505 ( -3.027 -5.525 0.382) 6.311 14.690 ( 5.991 17.327 -3.658) 18.695 15.151 ( 2.720 0.623 -4.438) 5.242 15.237 ( 2.191 -0.486 -2.948) 3.705 15.589 ( -0.998 -0.400 2.499) 2.720 15.716 ( -4.780 2.622 -1.510) 5.657 15.904 ( 3.568 4.298 -4.077) 6.915 16.068 ( -0.231 -4.085 1.626) 4.403 16.361 ( -2.356 -1.764 -1.218) 3.185 16.510 ( 2.333 -4.448 -0.886) 5.100 16.675 ( -1.090 -9.998 -0.669) 10.079 16.940 ( 0.123 3.474 1.486) 3.781 17.309 ( 2.201 4.981 2.027) 5.810 17.452 ( -0.025 1.403 -2.644) 2.994 17.737 ( 1.094 5.383 -3.079) 6.298 17.867 ( 0.097 -0.877 5.837) 5.904 18.097 ( -1.324 1.163 3.973) 4.346 18.305 ( -0.290 -2.660 -0.906) 2.825 18.722 ( -5.489 -9.837 3.056) 11.672 ======================= Grid point 36 (25/116) ======================= q-point: ( 0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.477 ( 9.901 10.626 7.494) 16.343 2.878 ( 38.589 5.491 2.406) 39.052 3.365 ( -11.181 -11.653 -0.306) 16.153 3.966 ( -14.049 27.116 -2.362) 30.630 4.161 ( -7.404 -1.537 -1.228) 7.661 4.849 ( 10.806 16.619 -1.826) 19.907 5.272 ( -7.310 -15.221 -0.186) 16.887 5.594 ( 5.193 -0.078 -6.631) 8.423 5.931 ( 7.911 0.752 -7.247) 10.756 6.213 ( -1.295 5.338 3.575) 6.553 6.683 ( 9.776 -2.011 -0.514) 9.994 7.154 ( -10.919 -0.000 -3.775) 11.553 7.215 ( -4.533 -5.231 5.394) 8.776 7.472 ( 1.996 -7.935 -5.395) 9.801 8.139 ( -4.716 -8.442 2.984) 10.120 8.788 ( 1.019 2.309 2.484) 3.541 9.554 ( 4.758 19.145 5.321) 20.432 10.393 ( -7.682 -18.112 -1.541) 19.734 11.296 ( -3.097 -0.779 2.606) 4.122 11.908 ( 4.502 4.635 0.836) 6.515 12.390 ( -5.425 -4.808 0.095) 7.250 14.929 ( 8.975 11.435 -3.475) 14.947 15.217 ( 6.167 4.211 -3.301) 8.165 15.269 ( 4.146 -0.079 -1.940) 4.578 15.565 ( -2.840 -2.593 3.558) 5.239 15.655 ( -4.126 3.311 -2.099) 5.691 15.974 ( 3.370 3.012 -2.426) 5.130 16.025 ( -2.194 -4.309 1.408) 5.037 16.311 ( -0.803 -1.897 -0.674) 2.168 16.395 ( -6.339 -10.716 2.568) 12.713 16.663 ( 5.366 -0.408 -2.383) 5.886 16.968 ( 0.224 1.051 -0.073) 1.077 17.392 ( 1.088 2.352 2.359) 3.504 17.458 ( 0.916 2.228 -2.374) 3.382 17.798 ( 1.595 6.197 -1.902) 6.675 17.893 ( -0.358 -0.688 4.397) 4.465 18.080 ( -0.958 -2.704 0.823) 2.985 18.273 ( -1.667 -0.655 0.126) 1.796 18.555 ( -7.493 -6.186 2.244) 9.973 ======================= Grid point 37 (26/116) ======================= q-point: (-0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.773 ( 10.758 8.985 1.946) 14.151 3.026 ( -16.977 -9.236 -0.027) 19.327 3.491 ( 27.023 -1.202 0.161) 27.050 3.945 ( -10.841 15.956 -0.896) 19.311 4.081 ( -4.843 8.710 0.848) 10.001 4.921 ( -4.493 -18.093 -0.693) 18.656 5.117 ( 5.624 1.713 -1.876) 6.171 5.668 ( 7.596 0.278 -2.860) 8.121 6.060 ( 11.713 -0.318 -2.260) 11.933 6.297 ( -8.540 9.066 5.169) 13.485 6.684 ( 2.132 -3.695 -2.934) 5.177 7.017 ( -9.113 1.832 -1.903) 9.488 7.199 ( -0.806 2.408 8.226) 8.609 7.461 ( 12.234 -4.154 -8.387) 15.403 7.988 ( -7.191 -6.484 1.729) 9.836 8.821 ( -1.011 1.474 0.940) 2.019 9.794 ( -1.442 13.211 4.201) 13.938 10.115 ( -2.507 -13.676 -2.661) 14.157 11.248 ( -3.421 -0.351 0.882) 3.550 12.039 ( 5.571 4.675 0.883) 7.326 12.249 ( -6.351 -4.705 -0.371) 7.913 15.121 ( 8.787 3.754 -2.148) 9.794 15.312 ( 3.301 1.067 -0.943) 3.595 15.388 ( 6.128 7.450 -3.461) 10.249 15.499 ( -3.453 -5.779 4.485) 8.089 15.646 ( 0.739 6.310 -1.787) 6.600 15.898 ( -7.382 -8.780 1.392) 11.555 16.041 ( 3.630 1.734 -1.194) 4.197 16.234 ( -5.453 -4.239 1.643) 7.100 16.292 ( 0.832 -1.484 -0.255) 1.720 16.756 ( 6.063 1.550 0.002) 6.258 16.961 ( -0.529 -1.372 -1.397) 2.029 17.411 ( -1.307 0.069 1.609) 2.074 17.483 ( 1.347 1.748 -2.422) 3.276 17.811 ( -5.814 2.966 -1.278) 6.650 17.916 ( 1.181 -0.484 2.482) 2.791 18.092 ( 5.144 -0.704 2.151) 5.620 18.230 ( -2.770 -0.531 -1.048) 3.009 18.415 ( -6.188 -2.143 0.981) 6.621 ======================= Grid point 38 (27/116) ======================= q-point: (-0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.603 ( -25.480 -0.000 0.000) 25.480 3.073 ( 16.381 0.000 -0.000) 16.381 3.490 ( -20.439 -0.000 0.000) 20.439 4.048 ( 9.696 0.000 -0.000) 9.696 4.054 ( -7.908 -0.000 0.000) 7.908 4.911 ( 18.836 0.000 -0.000) 18.836 5.128 ( -7.786 -0.000 0.000) 7.786 5.799 ( 9.446 0.000 -0.000) 9.446 6.098 ( -15.494 -0.000 0.000) 15.494 6.258 ( 13.499 0.000 -0.000) 13.499 6.810 ( 10.392 0.000 -0.000) 10.392 6.841 ( -11.743 -0.000 0.000) 11.743 7.242 ( 2.320 0.000 -0.000) 2.320 7.681 ( 16.574 0.000 -0.000) 16.574 7.822 ( -9.009 -0.000 0.000) 9.009 8.788 ( -4.189 -0.000 0.000) 4.189 9.646 ( -18.906 -0.000 0.000) 18.906 10.196 ( 14.567 0.000 -0.000) 14.567 11.199 ( -2.682 -0.000 0.000) 2.682 12.085 ( -8.752 -0.000 0.000) 8.752 12.195 ( 8.403 0.000 -0.000) 8.403 15.269 ( 8.237 0.000 -0.000) 8.237 15.334 ( -4.861 -0.000 0.000) 4.861 15.381 ( -4.117 -0.000 0.000) 4.117 15.483 ( 1.555 0.000 -0.000) 1.555 15.662 ( -10.613 -0.000 0.000) 10.613 15.827 ( 11.807 0.000 -0.000) 11.807 16.121 ( 6.602 0.000 -0.000) 6.602 16.148 ( -4.372 -0.000 0.000) 4.372 16.311 ( 2.352 0.000 -0.000) 2.352 16.873 ( 5.772 0.000 -0.000) 5.772 16.906 ( -3.527 -0.000 0.000) 3.527 17.389 ( -1.597 -0.000 0.000) 1.597 17.501 ( 0.973 0.000 -0.000) 0.973 17.702 ( -7.425 -0.000 0.000) 7.425 17.917 ( -1.802 -0.000 0.000) 1.802 18.151 ( -4.746 -0.000 0.000) 4.746 18.249 ( 10.300 0.000 -0.000) 10.300 18.335 ( -2.571 -0.000 0.000) 2.571 ======================= Grid point 45 (28/116) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.072 ( 0.000 10.007 0.187) 10.009 2.332 ( -0.000 8.055 10.484) 13.221 3.522 ( -0.000 -10.342 0.263) 10.345 4.328 ( -0.000 -1.204 0.419) 1.274 4.342 ( 0.000 29.744 -2.856) 29.881 4.476 ( 0.000 11.303 0.556) 11.317 5.471 ( 0.000 -3.633 -4.556) 5.827 5.541 ( 0.000 2.614 -7.948) 8.367 5.805 ( 0.000 11.604 -6.343) 13.224 6.215 ( -0.000 -8.527 -5.584) 10.193 6.424 ( -0.000 -4.070 7.477) 8.513 7.214 ( -0.000 -20.637 -2.985) 20.852 7.337 ( 0.000 2.003 -2.596) 3.279 7.548 ( -0.000 -3.850 2.217) 4.443 8.218 ( -0.000 -6.503 3.075) 7.193 8.761 ( -0.000 1.421 2.882) 3.213 9.480 ( 0.000 23.000 5.098) 23.558 10.523 ( -0.000 -20.291 -0.921) 20.312 11.354 ( -0.000 -0.921 3.421) 3.542 11.827 ( 0.000 3.841 0.687) 3.902 12.489 ( -0.000 -4.005 0.301) 4.017 14.767 ( 0.000 13.912 -3.028) 14.238 15.096 ( 0.000 -0.695 -3.375) 3.446 15.206 ( 0.000 0.595 -2.093) 2.176 15.619 ( -0.000 0.725 2.440) 2.546 15.774 ( -0.000 0.070 0.272) 0.281 15.870 ( 0.000 4.333 -5.361) 6.893 16.051 ( -0.000 -2.151 1.226) 2.476 16.373 ( -0.000 -1.275 -0.932) 1.579 16.440 ( -0.000 -2.207 -0.642) 2.299 16.580 ( -0.000 -10.486 -0.315) 10.491 16.988 ( 0.000 3.088 1.514) 3.439 17.350 ( 0.000 4.444 2.365) 5.034 17.445 ( 0.000 0.668 -1.832) 1.950 17.767 ( 0.000 6.258 -1.814) 6.516 17.890 ( -0.000 -0.755 4.137) 4.206 18.102 ( -0.000 -4.302 -1.105) 4.441 18.310 ( -0.000 1.588 2.404) 2.881 18.696 ( -0.000 -8.670 2.124) 8.926 ======================= Grid point 46 (29/116) ======================= q-point: ( 0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.368 ( 25.645 5.475 0.058) 26.224 2.488 ( 6.166 3.668 5.243) 8.886 3.406 ( -4.951 -6.465 0.028) 8.143 4.267 ( -6.390 -0.639 -0.053) 6.422 4.367 ( -11.152 15.699 -0.900) 19.278 4.756 ( 12.718 8.788 -1.200) 15.505 5.347 ( -10.647 -5.814 -1.553) 12.230 5.506 ( 0.763 1.047 -4.101) 4.300 5.814 ( 0.346 -0.202 -3.836) 3.857 6.251 ( 9.450 5.570 -0.325) 10.974 6.539 ( 5.171 2.954 6.425) 8.760 7.022 ( 4.973 -17.582 -5.892) 19.198 7.307 ( -4.625 0.963 -0.614) 4.764 7.476 ( -6.211 -2.299 0.441) 6.638 8.164 ( -2.866 -3.585 1.641) 4.875 8.797 ( 1.145 0.991 1.559) 2.173 9.722 ( 1.440 19.229 3.494) 19.597 10.302 ( -3.793 -18.026 -1.430) 18.476 11.348 ( -2.036 -0.422 1.651) 2.655 11.882 ( 2.871 2.196 0.413) 3.638 12.433 ( -3.486 -2.294 0.129) 4.175 14.889 ( 4.407 6.960 -1.872) 8.448 15.117 ( 5.383 0.610 -1.784) 5.704 15.217 ( 1.923 0.512 -1.085) 2.267 15.620 ( -2.419 0.063 1.993) 3.134 15.731 ( -3.952 0.951 -0.976) 4.180 15.916 ( 3.952 1.625 -2.179) 4.796 16.037 ( -1.037 -1.125 0.696) 1.681 16.324 ( -2.637 -0.705 -0.484) 2.772 16.408 ( -3.229 -5.691 1.690) 6.758 16.542 ( 5.414 -2.013 -1.830) 6.059 17.004 ( -1.551 1.494 0.636) 2.246 17.409 ( 1.195 2.144 1.550) 2.903 17.446 ( 0.663 0.519 -0.976) 1.289 17.827 ( 1.016 6.127 0.017) 6.210 17.912 ( 0.589 0.575 1.965) 2.131 18.029 ( -0.457 -6.915 -2.291) 7.299 18.332 ( -2.207 2.302 2.008) 3.768 18.606 ( -3.948 -5.026 0.990) 6.467 ======================= Grid point 47 (30/116) ======================= q-point: (-0.40 -0.60 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.641 ( 9.654 0.000 -0.000) 9.654 2.932 ( 37.440 0.000 -0.000) 37.440 3.238 ( -12.247 -0.000 0.000) 12.247 4.132 ( -9.179 -0.000 0.000) 9.179 4.299 ( -8.176 -0.000 0.000) 8.176 4.980 ( 10.998 0.000 -0.000) 10.998 5.032 ( -18.717 -0.000 0.000) 18.717 5.551 ( 5.561 0.000 -0.000) 5.561 5.880 ( 8.779 0.000 -0.000) 8.779 6.487 ( 11.125 0.000 -0.000) 11.125 6.542 ( -6.667 -0.000 0.000) 6.667 7.111 ( 16.845 0.000 -0.000) 16.845 7.191 ( -9.906 -0.000 0.000) 9.906 7.345 ( -7.431 -0.000 0.000) 7.431 8.081 ( -6.016 -0.000 0.000) 6.016 8.828 ( 1.099 0.000 -0.000) 1.099 9.893 ( 4.482 0.000 -0.000) 4.482 10.088 ( -8.595 -0.000 0.000) 8.595 11.306 ( -3.370 -0.000 0.000) 3.370 11.962 ( 5.537 0.000 -0.000) 5.537 12.341 ( -6.442 -0.000 0.000) 6.442 15.003 ( 6.933 0.000 -0.000) 6.933 15.252 ( 10.497 0.000 -0.000) 10.497 15.258 ( 3.252 0.000 -0.000) 3.252 15.568 ( -4.619 -0.000 0.000) 4.619 15.677 ( -2.629 -0.000 0.000) 2.629 15.982 ( 4.073 0.000 -0.000) 4.073 15.986 ( -5.304 -0.000 0.000) 5.304 16.287 ( -1.164 -0.000 0.000) 1.164 16.306 ( -5.581 -0.000 0.000) 5.581 16.640 ( 7.610 0.000 -0.000) 7.610 16.982 ( -1.966 -0.000 0.000) 1.966 17.432 ( -0.186 -0.000 0.000) 0.186 17.462 ( 1.225 0.000 -0.000) 1.225 17.892 ( 2.272 0.000 -0.000) 2.272 17.914 ( -4.577 -0.000 0.000) 4.577 17.991 ( 4.746 0.000 -0.000) 4.746 18.296 ( -4.096 -0.000 0.000) 4.096 18.505 ( -5.874 -0.000 0.000) 5.874 ======================= Grid point 58 (31/116) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( -0.000 0.000 0.000) 0.000 2.483 ( -0.000 0.000 0.000) 0.000 3.415 ( 0.000 0.000 0.000) 0.000 4.320 ( -0.000 0.000 0.000) 0.000 4.600 ( 0.000 0.000 -0.000) 0.000 4.612 ( -0.000 0.000 0.000) 0.000 5.390 ( -0.000 0.000 0.000) 0.000 5.508 ( -0.000 0.000 0.000) 0.000 5.876 ( -0.000 0.000 0.000) 0.000 6.091 ( -0.000 0.000 0.000) 0.000 6.621 ( -0.000 -0.000 0.000) 0.000 6.809 ( 0.000 0.000 0.000) 0.000 7.346 ( -0.000 0.000 0.000) 0.000 7.525 ( -0.000 0.000 0.000) 0.000 8.177 ( -0.000 0.000 0.000) 0.000 8.797 ( 0.000 0.000 0.000) 0.000 9.836 ( -0.000 0.000 0.000) 0.000 10.221 ( -0.000 0.000 0.000) 0.000 11.369 ( -0.000 0.000 0.000) 0.000 11.869 ( -0.000 0.000 0.000) 0.000 12.452 ( -0.000 -0.000 0.000) 0.000 14.883 ( -0.000 0.000 0.000) 0.000 15.066 ( -0.000 0.000 0.000) 0.000 15.200 ( 0.000 0.000 0.000) 0.000 15.650 ( -0.000 0.000 0.000) 0.000 15.773 ( -0.000 -0.000 0.000) 0.000 15.874 ( 0.000 0.000 0.000) 0.000 16.042 ( 0.000 0.000 0.000) 0.000 16.353 ( -0.000 -0.000 0.000) 0.000 16.418 ( 0.000 0.000 0.000) 0.000 16.464 ( -0.000 -0.000 0.000) 0.000 17.028 ( -0.000 0.000 0.000) 0.000 17.414 ( -0.000 0.000 0.000) 0.000 17.439 ( -0.000 0.000 0.000) 0.000 17.861 ( 0.000 0.000 0.000) 0.000 17.910 ( 0.000 0.000 0.000) 0.000 17.984 ( -0.000 -0.000 0.000) 0.000 18.373 ( 0.000 0.000 0.000) 0.000 18.614 ( -0.000 -0.000 0.000) 0.000 ======================= Grid point 116 (32/116) ======================= q-point: ( 0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.385 ( -0.000 0.000 19.456) 19.456 0.385 ( -0.000 0.000 19.456) 19.456 0.891 ( -0.000 0.000 44.194) 44.194 3.880 ( 0.000 -0.000 -0.689) 0.689 4.474 ( 0.000 -0.000 -2.159) 2.159 4.474 ( 0.000 -0.000 -2.159) 2.159 5.629 ( 0.000 -0.000 -13.573) 13.573 5.629 ( 0.000 -0.000 -13.573) 13.573 5.905 ( 0.000 -0.000 -5.643) 5.643 7.162 ( 0.000 -0.000 -17.331) 17.331 7.162 ( 0.000 -0.000 -17.331) 17.331 7.637 ( -0.000 0.000 6.746) 6.746 7.637 ( -0.000 0.000 6.746) 6.746 8.059 ( 0.000 -0.000 -1.758) 1.758 8.075 ( -0.000 0.000 16.875) 16.875 8.075 ( -0.000 0.000 16.875) 16.875 9.315 ( 0.000 -0.000 -7.911) 7.911 11.334 ( -0.000 0.000 9.859) 9.859 11.393 ( -0.000 0.000 0.379) 0.379 11.393 ( -0.000 0.000 0.379) 0.379 13.079 ( 0.000 -0.000 -2.493) 2.493 13.864 ( 0.000 -0.000 -1.592) 1.592 15.228 ( 0.000 -0.000 -3.601) 3.601 15.508 ( 0.000 -0.000 -4.966) 4.966 15.508 ( 0.000 -0.000 -4.966) 4.966 15.581 ( 0.000 0.000 0.004) 0.004 15.581 ( -0.000 0.000 0.004) 0.004 16.262 ( -0.000 0.000 1.370) 1.370 16.499 ( 0.000 -0.000 -0.991) 0.991 16.499 ( 0.000 -0.000 -0.991) 0.991 16.607 ( -0.000 0.000 1.939) 1.939 16.607 ( -0.000 0.000 1.939) 1.939 17.358 ( -0.000 0.000 2.317) 2.317 17.446 ( 0.000 -0.000 -6.298) 6.298 17.446 ( 0.000 -0.000 -6.298) 6.298 17.772 ( -0.000 0.000 9.629) 9.629 17.772 ( -0.000 0.000 9.629) 9.629 18.373 ( -0.000 0.000 0.518) 0.518 19.440 ( -0.000 0.000 1.460) 1.460 ======================= Grid point 117 (33/116) ======================= q-point: ( 0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( 27.506 15.881 15.271) 35.242 1.034 ( 30.425 17.566 13.585) 37.667 1.394 ( 27.780 16.039 28.059) 42.618 3.900 ( 2.087 1.205 -1.467) 2.822 4.389 ( -6.866 -3.964 -2.626) 8.352 4.432 ( -2.005 -1.158 -2.488) 3.399 5.486 ( -0.116 -0.067 -17.045) 17.046 5.704 ( 11.272 6.508 -16.241) 20.813 5.838 ( -1.470 -0.849 -6.934) 7.139 7.034 ( -1.237 -0.714 -17.657) 17.714 7.068 ( -0.598 -0.345 -16.212) 16.226 7.420 ( -30.775 -17.768 20.543) 41.047 7.628 ( -7.386 -4.264 6.957) 11.006 7.724 ( 0.748 0.432 8.411) 8.455 8.239 ( 6.337 3.658 16.016) 17.608 8.295 ( 3.399 1.962 13.298) 13.865 9.019 ( -12.076 -6.972 1.525) 14.027 11.335 ( -5.677 -3.277 0.353) 6.564 11.343 ( -4.052 -2.340 9.186) 10.309 11.472 ( 5.258 3.036 0.151) 6.073 12.856 ( -9.579 -5.531 3.031) 11.469 13.941 ( 8.287 4.784 -2.160) 9.809 15.200 ( -0.013 -0.007 -4.311) 4.311 15.498 ( 0.388 0.224 -5.727) 5.745 15.507 ( 0.019 0.011 -4.009) 4.009 15.573 ( 0.766 0.442 0.053) 0.886 15.715 ( 6.399 3.695 -5.072) 8.962 16.256 ( -1.470 -0.849 1.665) 2.378 16.466 ( -1.575 -0.909 -1.134) 2.143 16.615 ( 0.239 0.138 1.276) 1.306 16.676 ( 5.186 2.994 1.513) 6.177 16.899 ( 19.368 11.182 -16.460) 27.769 17.312 ( -3.430 -1.980 0.418) 3.982 17.383 ( -0.683 -0.394 -5.521) 5.577 17.511 ( 6.212 3.587 -6.443) 9.642 17.796 ( -2.089 -1.206 10.357) 10.634 17.861 ( 0.764 0.441 9.607) 9.647 18.389 ( 0.716 0.413 0.571) 1.005 19.244 ( -14.225 -8.213 7.274) 17.964 ======================= Grid point 118 (34/116) ======================= q-point: ( 0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( 14.687 8.479 23.250) 28.778 1.762 ( 29.029 16.760 11.083) 35.304 2.363 ( 46.210 26.679 8.519) 54.035 3.931 ( 2.115 1.221 -3.562) 4.319 4.149 ( -13.839 -7.990 -2.595) 16.189 4.358 ( -3.399 -1.962 -2.721) 4.776 5.444 ( 6.437 3.717 -14.097) 15.937 5.752 ( 0.453 0.261 -8.567) 8.583 5.874 ( 11.707 6.759 -16.008) 20.952 6.815 ( -10.097 -5.829 -2.870) 12.007 6.917 ( -3.968 -2.291 -15.260) 15.933 7.106 ( -9.524 -5.499 3.907) 11.671 7.485 ( -11.329 -6.541 7.300) 14.980 7.759 ( -2.795 -1.614 8.855) 9.425 8.432 ( 1.809 1.044 10.812) 11.012 8.554 ( 13.746 7.936 12.894) 20.450 8.802 ( -9.004 -5.199 -0.443) 10.407 11.156 ( -11.042 -6.375 -0.013) 12.750 11.310 ( -3.793 -2.190 6.888) 8.163 11.597 ( 5.603 3.235 1.779) 6.710 12.700 ( -6.982 -4.031 0.642) 8.087 14.177 ( 14.810 8.551 -2.814) 17.331 15.177 ( 0.747 0.431 -4.476) 4.559 15.462 ( -0.144 -0.083 -5.287) 5.289 15.486 ( 0.420 0.242 -3.174) 3.211 15.598 ( 1.361 0.786 -0.288) 1.597 15.797 ( 4.331 2.500 -3.056) 5.861 16.220 ( -2.953 -1.705 2.035) 3.971 16.428 ( -1.073 -0.620 -1.245) 1.756 16.629 ( 0.465 0.268 0.915) 1.061 16.815 ( 5.677 3.278 2.073) 6.875 17.008 ( -0.354 -0.205 -5.381) 5.396 17.267 ( 1.422 0.821 -4.314) 4.616 17.345 ( 0.235 0.136 -4.426) 4.434 17.598 ( 5.980 3.452 -7.495) 10.191 17.825 ( -1.760 -1.016 10.905) 11.093 17.927 ( -0.283 -0.164 8.641) 8.647 18.398 ( -0.427 -0.247 0.726) 0.878 18.983 ( -14.080 -8.129 5.013) 17.013 ======================= Grid point 119 (35/116) ======================= q-point: ( 0.40 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.992 ( 15.233 8.795 17.994) 25.163 2.384 ( 22.034 12.721 8.318) 26.767 3.389 ( 44.419 25.645 4.402) 51.479 3.774 ( -18.632 -10.757 -3.544) 21.805 3.950 ( 2.619 1.512 -4.693) 5.583 4.256 ( -3.859 -2.228 -3.000) 5.372 5.582 ( 12.472 7.201 -7.062) 16.040 5.728 ( 2.241 1.294 -6.358) 6.864 5.979 ( 6.979 4.029 -15.334) 17.322 6.700 ( -6.987 -4.034 -14.308) 16.426 6.700 ( -0.351 -0.203 5.075) 5.091 6.880 ( -13.996 -8.081 -4.062) 16.664 7.263 ( -12.373 -7.144 6.832) 15.837 7.729 ( -4.672 -2.697 7.176) 8.978 8.475 ( -4.123 -2.381 4.674) 6.672 8.666 ( -2.116 -1.222 1.238) 2.739 8.970 ( 17.464 10.083 9.636) 22.349 10.869 ( -15.330 -8.851 -0.751) 17.718 11.273 ( -3.337 -1.927 4.966) 6.286 11.729 ( 5.334 3.080 2.318) 6.581 12.555 ( -6.579 -3.799 -0.343) 7.605 14.515 ( 17.961 10.370 -3.401) 21.016 15.179 ( 2.069 1.194 -4.071) 4.720 15.428 ( 0.125 0.072 -4.795) 4.798 15.486 ( 1.079 0.623 -1.785) 2.177 15.618 ( 0.368 0.212 0.208) 0.473 15.867 ( 3.900 2.252 -1.958) 4.911 16.162 ( -3.490 -2.015 2.058) 4.525 16.406 ( -0.272 -0.157 -1.219) 1.259 16.648 ( 0.706 0.408 1.181) 1.435 16.768 ( -11.300 -6.524 2.101) 13.216 17.056 ( 8.112 4.683 -2.319) 9.650 17.297 ( 3.216 1.857 -3.891) 5.379 17.334 ( 0.995 0.574 -3.103) 3.309 17.661 ( 4.100 2.367 -6.789) 8.277 17.866 ( -0.986 -0.569 11.116) 11.174 17.960 ( -1.459 -0.843 6.741) 6.949 18.378 ( -1.718 -0.992 0.379) 2.020 18.712 ( -13.159 -7.598 2.472) 15.395 ======================= Grid point 120 (36/116) ======================= q-point: ( 0.50 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.414 ( 14.415 8.322 10.374) 19.613 2.761 ( 9.000 5.196 1.667) 10.525 3.314 ( -20.269 -11.702 -2.515) 23.539 3.993 ( 3.675 2.122 -3.735) 5.653 4.190 ( -0.612 -0.353 1.528) 1.684 4.290 ( 35.662 20.589 0.316) 41.180 5.768 ( 4.226 2.440 -2.883) 5.668 5.843 ( 12.800 7.390 -0.792) 14.802 6.001 ( 3.714 2.144 -7.626) 8.749 6.435 ( -23.143 -13.362 -3.311) 26.928 6.454 ( -6.133 -3.541 -13.633) 15.362 6.836 ( 8.455 4.882 3.525) 10.380 7.071 ( -9.465 -5.465 4.815) 11.943 7.663 ( -4.799 -2.771 4.203) 6.955 8.363 ( -5.392 -3.113 -1.121) 6.326 8.684 ( 0.369 0.213 2.853) 2.884 9.391 ( 15.381 8.880 6.794) 19.016 10.515 ( -15.719 -9.075 -1.706) 18.230 11.232 ( -2.877 -1.661 2.939) 4.435 11.847 ( 3.889 2.245 2.404) 5.093 12.425 ( -4.890 -2.823 -0.658) 5.684 14.863 ( 15.603 9.008 -3.660) 18.384 15.212 ( 3.088 1.783 -3.064) 4.702 15.406 ( 0.561 0.324 -4.248) 4.297 15.501 ( 0.550 0.317 0.061) 0.638 15.617 ( -0.687 -0.397 1.163) 1.408 15.943 ( 4.294 2.479 -1.239) 5.111 16.107 ( -2.586 -1.493 1.365) 3.283 16.399 ( 0.293 0.169 -0.965) 1.022 16.500 ( -13.589 -7.845 2.385) 15.871 16.675 ( 0.671 0.388 2.168) 2.302 17.191 ( 5.978 3.452 -7.217) 9.987 17.345 ( 1.471 0.849 -1.649) 2.367 17.351 ( 3.514 2.029 -1.512) 4.330 17.669 ( -0.596 -0.344 -3.449) 3.517 17.940 ( 1.213 0.700 11.243) 11.330 17.952 ( -2.570 -1.484 4.101) 5.062 18.336 ( -1.974 -1.139 -0.229) 2.290 18.479 ( -8.785 -5.072 0.620) 10.163 ======================= Grid point 121 (37/116) ======================= q-point: (-0.40 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.520 ( -13.736 -7.930 -3.763) 16.301 2.777 ( -5.302 -3.061 -6.628) 9.023 3.104 ( 7.273 4.199 4.952) 9.749 4.035 ( 2.062 1.191 -0.963) 2.569 4.269 ( 3.638 2.101 7.559) 8.648 4.756 ( 1.809 1.044 -1.324) 2.473 5.851 ( 1.967 1.136 3.282) 3.991 5.955 ( -7.938 -4.583 -2.505) 9.502 5.972 ( -3.405 -1.966 -0.703) 3.995 6.153 ( 10.543 6.087 -7.361) 14.226 6.403 ( 11.596 6.695 -8.758) 16.000 6.903 ( -7.059 -4.076 3.116) 8.727 7.063 ( 7.631 4.406 7.335) 11.465 7.587 ( -3.748 -2.164 1.091) 4.463 8.267 ( -1.819 -1.050 -3.813) 4.353 8.685 ( -1.725 -0.996 1.492) 2.489 9.571 ( -6.466 -3.733 2.969) 8.035 10.316 ( 2.876 1.661 -1.004) 3.470 11.191 ( -2.088 -1.206 1.200) 2.694 11.903 ( -0.567 -0.327 2.013) 2.117 12.363 ( 0.126 0.073 -0.511) 0.531 15.067 ( 3.407 1.967 -2.644) 4.740 15.260 ( 2.457 1.418 -1.454) 3.188 15.395 ( 0.966 0.558 -3.943) 4.098 15.500 ( -0.770 -0.445 1.127) 1.436 15.618 ( 0.175 0.101 1.977) 1.988 16.025 ( 2.237 1.291 -0.380) 2.611 16.071 ( -1.240 -0.716 0.212) 1.447 16.302 ( -2.953 -1.705 1.530) 3.737 16.405 ( 0.726 0.419 -0.566) 1.011 16.702 ( 0.020 0.011 3.487) 3.487 17.195 ( -0.304 -0.175 -10.149) 10.155 17.374 ( 1.781 1.029 -0.061) 2.058 17.408 ( 3.119 1.801 -4.595) 5.838 17.602 ( -4.123 -2.380 2.040) 5.179 17.905 ( -3.388 -1.956 1.112) 4.067 18.043 ( -0.073 -0.042 11.064) 11.065 18.301 ( -1.535 -0.886 0.952) 2.012 18.386 ( 1.809 1.044 -1.898) 2.822 ======================= Grid point 122 (38/116) ======================= q-point: (-0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( -24.139 -13.937 -5.662) 28.442 2.489 ( -15.646 -9.033 -10.021) 20.659 3.434 ( 15.790 9.116 2.769) 18.441 4.082 ( 1.600 0.924 2.597) 3.187 4.325 ( -34.839 -20.115 2.018) 40.280 4.367 ( 0.322 0.186 6.266) 6.277 5.840 ( -5.238 -3.024 -0.980) 6.127 5.859 ( 1.642 0.948 0.484) 1.957 6.043 ( 9.972 5.757 -1.679) 11.636 6.330 ( 4.814 2.779 -11.758) 13.006 6.695 ( 16.623 9.597 -4.351) 19.681 6.903 ( 5.889 3.400 11.937) 13.738 7.258 ( 5.645 3.259 8.044) 10.353 7.522 ( -2.327 -1.344 -0.988) 2.863 8.228 ( 0.567 0.327 -6.082) 6.117 8.641 ( -2.193 -1.266 0.494) 2.580 9.222 ( -22.148 -12.787 -0.084) 25.575 10.560 ( 15.494 8.945 0.248) 17.893 11.163 ( -0.944 -0.545 0.311) 1.133 11.849 ( -4.868 -2.810 1.154) 5.738 12.422 ( 4.893 2.825 -0.048) 5.650 14.937 ( -13.154 -7.595 -0.671) 15.204 15.284 ( 0.054 0.031 0.115) 0.131 15.400 ( 2.123 1.226 -4.147) 4.818 15.508 ( 0.927 0.535 0.697) 1.278 15.653 ( 1.387 0.801 2.596) 3.051 15.999 ( -2.912 -1.681 1.205) 3.572 16.059 ( 0.550 0.318 -0.946) 1.140 16.422 ( 1.037 0.599 -0.137) 1.205 16.436 ( 11.792 6.808 -0.372) 13.621 16.716 ( -1.217 -0.703 4.390) 4.609 17.058 ( -5.172 -2.986 -10.531) 12.107 17.418 ( 1.463 0.845 -6.692) 6.902 17.421 ( 2.094 1.209 1.770) 2.997 17.561 ( -1.716 -0.991 5.419) 5.770 17.826 ( -3.730 -2.154 -1.695) 4.629 18.042 ( -4.553 -2.629 6.014) 7.988 18.291 ( 0.134 0.077 0.796) 0.811 18.523 ( 9.444 5.452 1.045) 10.954 ======================= Grid point 123 (39/116) ======================= q-point: (-0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( -24.404 -14.089 -1.917) 28.244 2.002 ( -23.451 -13.540 -9.353) 28.649 3.332 ( -41.143 -23.754 2.082) 47.553 3.911 ( 10.687 6.170 1.930) 12.491 4.106 ( -2.342 -1.352 3.741) 4.616 4.381 ( 0.001 0.000 1.618) 1.618 5.773 ( -1.463 -0.845 1.721) 2.412 5.899 ( 1.848 1.067 -1.786) 2.782 6.209 ( -5.791 -3.343 -7.956) 10.392 6.276 ( 11.049 6.379 0.060) 12.759 7.003 ( 14.698 8.486 -6.506) 18.176 7.198 ( 11.379 6.569 5.030) 14.069 7.427 ( 4.731 2.731 12.021) 13.204 7.478 ( -1.197 -0.691 -0.226) 1.401 8.163 ( -3.514 -2.029 -6.532) 7.689 8.648 ( 3.415 1.971 0.388) 3.962 8.729 ( -22.812 -13.171 0.604) 26.348 10.889 ( 14.370 8.296 0.079) 16.593 11.158 ( 0.296 0.171 0.565) 0.661 11.735 ( -5.904 -3.409 0.451) 6.833 12.544 ( 5.943 3.431 0.166) 6.865 14.585 ( -17.656 -10.194 -0.445) 20.392 15.273 ( -0.770 -0.444 -0.007) 0.889 15.428 ( 2.804 1.619 -4.002) 5.148 15.533 ( 0.770 0.445 0.830) 1.217 15.687 ( -0.333 -0.192 2.675) 2.702 15.946 ( -2.957 -1.708 1.109) 3.591 16.091 ( 3.132 1.808 -1.203) 3.811 16.446 ( 1.156 0.667 0.134) 1.342 16.677 ( 8.066 4.657 -2.701) 9.697 16.705 ( -2.468 -1.425 4.329) 5.183 16.905 ( -0.727 -0.420 -5.886) 5.946 17.391 ( 0.771 0.445 -8.167) 8.215 17.488 ( 2.397 1.384 3.785) 4.689 17.589 ( 0.132 0.076 7.059) 7.060 17.728 ( -3.594 -2.075 -3.748) 5.592 17.962 ( -4.978 -2.874 1.859) 6.041 18.311 ( 1.018 0.588 1.034) 1.566 18.742 ( 9.312 5.376 1.973) 10.932 ======================= Grid point 124 (40/116) ======================= q-point: (-0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( -22.206 -12.820 9.140) 27.221 1.380 ( -29.296 -16.914 -6.510) 34.449 2.332 ( -51.105 -29.505 5.308) 59.249 4.025 ( -5.722 -3.303 1.184) 6.712 4.202 ( 12.934 7.467 -0.934) 14.964 4.420 ( 2.604 1.504 0.173) 3.012 5.772 ( -0.137 -0.079 0.407) 0.437 5.896 ( -0.267 -0.154 -5.441) 5.450 6.025 ( -4.926 -2.844 -8.868) 10.536 6.550 ( 11.592 6.693 10.813) 17.208 7.199 ( 9.321 5.381 -14.964) 18.433 7.375 ( 4.382 2.530 -1.126) 5.183 7.486 ( 0.829 0.479 5.681) 5.761 7.599 ( 3.612 2.085 6.231) 7.498 8.025 ( -5.789 -3.342 2.035) 6.987 8.300 ( -17.968 -10.374 5.039) 21.351 8.779 ( 7.423 4.286 1.147) 8.648 11.158 ( 10.496 6.060 0.033) 12.120 11.184 ( 1.376 0.795 2.051) 2.594 11.612 ( -5.451 -3.147 -0.411) 6.308 12.666 ( 5.119 2.955 0.864) 5.974 14.224 ( -14.888 -8.595 -0.823) 17.210 15.258 ( -0.271 -0.156 -1.079) 1.123 15.462 ( 2.736 1.580 -3.983) 5.084 15.551 ( 0.452 0.261 0.722) 0.891 15.671 ( -2.265 -1.308 1.658) 3.097 15.881 ( -3.362 -1.941 -0.609) 3.929 16.166 ( 3.834 2.214 -0.215) 4.433 16.472 ( 1.170 0.676 0.108) 1.355 16.654 ( -2.911 -1.681 -4.725) 5.799 16.671 ( -3.002 -1.733 3.440) 4.884 17.034 ( 9.350 5.398 -0.283) 10.800 17.348 ( 0.785 0.453 -10.230) 10.270 17.570 ( 2.555 1.475 3.819) 4.825 17.629 ( -3.174 -1.832 -2.931) 4.692 17.651 ( 0.668 0.386 8.778) 8.811 17.852 ( -5.173 -2.986 -3.874) 7.119 18.345 ( 1.151 0.665 2.082) 2.470 18.934 ( 7.198 4.156 3.001) 8.837 ======================= Grid point 127 (41/116) ======================= q-point: ( 0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( 0.000 24.628 10.868) 26.919 1.263 ( 0.000 28.933 20.698) 35.575 1.645 ( -0.000 30.421 28.359) 41.589 3.904 ( 0.000 4.189 -1.327) 4.394 4.359 ( -0.000 -8.106 -2.946) 8.625 4.431 ( 0.000 -0.993 -2.842) 3.011 5.432 ( 0.000 6.051 -21.602) 22.433 5.505 ( 0.000 5.874 -17.141) 18.119 5.786 ( 0.000 -2.284 -7.776) 8.104 6.876 ( 0.000 -4.871 -15.592) 16.335 7.024 ( 0.000 4.674 -16.314) 16.970 7.565 ( -0.000 -32.098 13.863) 34.964 7.699 ( -0.000 -2.190 8.047) 8.339 7.753 ( -0.000 -2.172 8.071) 8.358 8.342 ( -0.000 1.125 13.839) 13.885 8.352 ( -0.000 6.623 14.013) 15.500 9.020 ( -0.000 -12.318 -1.916) 12.466 11.340 ( -0.000 -6.520 0.634) 6.551 11.402 ( -0.000 -3.736 6.320) 7.342 11.487 ( -0.000 4.219 5.642) 7.045 12.870 ( -0.000 -10.756 1.168) 10.819 13.925 ( 0.000 9.367 -2.508) 9.697 15.170 ( 0.000 0.128 -4.947) 4.949 15.384 ( 0.000 -2.742 -6.341) 6.909 15.560 ( 0.000 1.720 -0.948) 1.964 15.625 ( 0.000 3.203 -0.252) 3.213 15.628 ( 0.000 8.788 -8.857) 12.477 16.261 ( -0.000 -2.550 1.791) 3.117 16.479 ( 0.000 -1.002 -1.200) 1.563 16.548 ( 0.000 0.323 -2.359) 2.381 16.682 ( 0.000 3.763 2.460) 4.496 16.826 ( 0.000 17.586 -8.822) 19.675 17.285 ( -0.000 -6.106 0.558) 6.132 17.407 ( 0.000 2.357 -5.309) 5.808 17.464 ( 0.000 6.675 -4.148) 7.858 17.864 ( -0.000 -2.501 10.165) 10.468 17.926 ( -0.000 0.818 10.291) 10.323 18.389 ( 0.000 0.506 0.363) 0.623 19.302 ( -0.000 -13.676 5.749) 14.835 ======================= Grid point 128 (42/116) ======================= q-point: ( 0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( 30.801 19.477 9.359) 37.625 1.686 ( 8.964 14.861 24.186) 29.768 2.259 ( 15.452 41.176 13.876) 46.117 3.942 ( -0.281 6.866 -2.682) 7.377 4.204 ( -6.057 -11.257 -2.642) 13.054 4.375 ( -3.104 -1.552 -2.479) 4.264 5.321 ( 0.480 7.176 -17.965) 19.351 5.590 ( 11.457 7.261 -19.184) 23.495 5.719 ( 1.299 -0.548 -8.373) 8.491 6.733 ( 0.396 -6.372 -13.563) 14.990 6.898 ( -5.574 -2.422 -12.029) 13.477 7.290 ( -11.590 -12.917 10.284) 20.173 7.644 ( -8.292 -5.424 8.374) 12.973 7.804 ( 0.915 -4.041 7.671) 8.719 8.460 ( 2.750 -1.067 11.376) 11.752 8.565 ( 6.333 10.292 12.089) 17.093 8.851 ( -5.628 -8.802 -2.013) 10.640 11.221 ( -5.901 -9.588 0.431) 11.267 11.384 ( -2.689 -3.279 5.964) 7.318 11.588 ( 2.731 4.147 5.458) 7.378 12.746 ( -4.455 -7.119 0.029) 8.398 14.076 ( 7.702 12.994 -2.981) 15.396 15.142 ( 0.409 0.670 -5.034) 5.095 15.345 ( 3.073 -3.254 -5.989) 7.477 15.560 ( -4.547 6.463 -4.736) 9.213 15.581 ( 0.788 0.304 0.297) 0.896 15.739 ( 4.770 4.898 -3.810) 7.827 16.238 ( -0.784 -3.673 1.986) 4.249 16.433 ( -1.774 -1.289 -1.186) 2.493 16.592 ( 4.317 -1.688 -0.935) 4.729 16.766 ( 4.151 4.667 0.809) 6.298 16.936 ( 3.377 6.147 -7.070) 9.959 17.226 ( -0.712 -5.054 1.279) 5.262 17.375 ( -2.198 3.640 -4.369) 6.097 17.527 ( 3.098 6.369 -5.838) 9.179 17.900 ( -0.724 -2.580 10.324) 10.666 17.996 ( -0.544 0.594 9.523) 9.557 18.395 ( 0.267 -0.576 -0.133) 0.649 19.128 ( -9.689 -12.299 5.633) 16.640 ======================= Grid point 129 (43/116) ======================= q-point: ( 0.40 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.991 ( 12.166 9.872 18.515) 24.254 2.268 ( 25.181 21.905 10.494) 34.987 2.999 ( 27.426 26.738 4.203) 38.533 3.902 ( -12.132 -11.616 -3.549) 17.168 4.020 ( -1.678 13.398 -2.488) 13.730 4.274 ( -4.129 -2.795 -2.593) 5.620 5.384 ( 10.575 6.697 -10.458) 16.311 5.644 ( 3.669 1.435 -9.521) 10.304 5.779 ( 10.083 6.758 -15.740) 19.877 6.580 ( -1.582 -9.819 -12.323) 15.836 6.719 ( -2.750 -2.904 -2.603) 4.772 7.089 ( -12.922 -0.829 1.028) 12.990 7.459 ( -13.219 -8.271 9.059) 18.034 7.790 ( -1.957 -6.256 5.854) 8.789 8.506 ( -1.518 -6.846 4.870) 8.538 8.705 ( -3.009 -1.487 0.822) 3.456 8.899 ( 12.094 12.385 9.843) 19.914 10.983 ( -11.102 -12.054 -0.156) 16.389 11.342 ( -3.515 -2.660 5.055) 6.707 11.713 ( 3.766 4.007 4.613) 7.177 12.605 ( -5.450 -5.624 -0.832) 7.876 14.357 ( 13.183 14.906 -3.445) 20.195 15.136 ( 1.511 1.726 -4.568) 5.111 15.337 ( 3.781 -2.414 -5.233) 6.893 15.521 ( -3.088 5.004 -3.690) 6.942 15.606 ( 1.138 -0.148 0.944) 1.486 15.827 ( 3.548 4.372 -2.540) 6.177 16.193 ( -1.966 -4.055 2.069) 4.958 16.394 ( -0.454 -1.525 -1.031) 1.896 16.630 ( 2.585 -1.144 0.402) 2.856 16.847 ( -3.575 -4.222 1.290) 5.681 16.934 ( 5.151 0.565 -4.507) 6.868 17.232 ( 2.948 1.785 -0.393) 3.469 17.357 ( -1.399 4.353 -3.547) 5.786 17.596 ( 3.347 5.651 -5.922) 8.843 17.933 ( -0.387 -2.741 10.135) 10.506 18.038 ( -2.094 0.421 7.947) 8.229 18.379 ( -0.470 -1.875 -0.985) 2.170 18.869 ( -12.856 -10.460 4.494) 17.172 ======================= Grid point 130 (44/116) ======================= q-point: ( 0.50 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.365 ( 11.332 8.794 12.852) 19.259 2.821 ( 6.505 25.427 4.094) 26.563 3.493 ( -14.982 -12.557 -4.746) 20.117 3.607 ( 26.492 -2.931 1.317) 26.686 4.130 ( -0.857 3.125 -4.347) 5.422 4.314 ( 7.613 24.276 2.121) 25.530 5.600 ( 15.132 0.389 -3.061) 15.443 5.679 ( 5.727 1.515 -6.210) 8.582 5.892 ( 7.903 7.554 -11.130) 15.602 6.331 ( -5.178 -13.109 -9.401) 16.942 6.767 ( 6.525 3.997 -0.646) 7.679 6.801 ( -22.084 1.140 -3.426) 22.377 7.238 ( -11.592 -6.702 9.231) 16.263 7.717 ( -2.949 -6.485 2.967) 7.718 8.371 ( -4.445 -9.218 -1.209) 10.305 8.718 ( -0.398 2.020 3.606) 4.152 9.288 ( 14.341 11.676 7.421) 19.926 10.651 ( -14.538 -12.985 -1.053) 19.521 11.289 ( -3.691 -2.278 3.518) 5.585 11.839 ( 3.597 3.949 3.836) 6.576 12.461 ( -5.124 -5.057 -1.130) 7.287 14.702 ( 14.672 14.487 -3.799) 20.966 15.166 ( 2.772 3.066 -3.603) 5.483 15.349 ( 3.155 -0.307 -4.860) 5.802 15.507 ( -0.964 2.659 -1.601) 3.249 15.620 ( 0.227 -1.270 1.893) 2.291 15.905 ( 3.190 4.012 -1.697) 5.399 16.133 ( -2.311 -3.750 1.595) 4.685 16.376 ( 0.684 -1.605 -0.892) 1.959 16.614 ( -8.316 -10.757 2.481) 13.821 16.689 ( -0.948 -0.126 1.421) 1.713 17.034 ( 7.656 0.031 -5.767) 9.585 17.310 ( 3.089 4.240 -1.975) 5.605 17.362 ( -0.641 4.385 -2.455) 5.066 17.657 ( 1.807 4.310 -3.068) 5.590 17.969 ( 0.271 -3.188 8.367) 8.958 18.047 ( -2.803 0.731 7.258) 7.815 18.334 ( -1.051 -2.511 -2.032) 3.396 18.604 ( -11.925 -7.946 3.255) 14.695 ======================= Grid point 131 (45/116) ======================= q-point: (-0.40 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.614 ( -1.168 3.054 1.325) 3.528 2.955 ( -12.569 17.897 -5.745) 22.612 3.120 ( -7.811 -6.923 2.548) 10.744 3.945 ( 12.286 -1.015 2.129) 12.510 4.161 ( 10.070 -4.799 3.309) 11.636 4.744 ( 10.339 21.370 -1.430) 23.783 5.679 ( 6.241 -21.700 -3.240) 22.811 5.771 ( 7.470 1.757 -2.857) 8.188 6.059 ( 1.078 4.887 2.074) 5.418 6.179 ( 9.427 3.995 -8.923) 13.581 6.413 ( -20.870 6.446 -4.984) 22.404 6.920 ( 3.968 3.796 -3.166) 6.338 7.123 ( -3.765 -0.245 11.193) 11.811 7.628 ( -2.796 -4.228 0.152) 5.071 8.221 ( -1.753 -8.372 -3.220) 9.140 8.734 ( -2.371 1.219 2.349) 3.553 9.606 ( 5.700 4.802 5.555) 9.295 10.323 ( -8.240 -8.012 -2.011) 11.668 11.232 ( -3.225 -1.869 2.091) 4.274 11.936 ( 0.647 3.308 2.825) 4.398 12.351 ( -1.645 -3.979 -0.890) 4.397 15.001 ( 9.287 10.721 -3.795) 14.683 15.227 ( 2.813 3.707 -2.269) 5.177 15.364 ( 1.726 2.143 -4.884) 5.606 15.507 ( -0.694 -0.550 0.698) 1.128 15.621 ( 0.281 -1.714 2.684) 3.197 15.989 ( 4.085 3.871 -1.184) 5.751 16.075 ( -1.519 -3.731 0.654) 4.081 16.355 ( -6.114 -8.023 1.451) 10.191 16.381 ( -1.106 -3.345 0.254) 3.532 16.731 ( 0.932 1.701 3.321) 3.846 17.076 ( 4.139 -2.467 -7.924) 9.274 17.350 ( 0.728 2.458 -4.377) 5.073 17.396 ( 0.922 5.065 -1.716) 5.426 17.671 ( -3.023 0.879 1.948) 3.702 17.956 ( -3.203 -2.418 2.784) 4.884 18.109 ( 1.494 0.689 10.749) 10.874 18.290 ( 1.037 -1.391 -2.976) 3.445 18.406 ( -6.863 -4.142 1.234) 8.111 ======================= Grid point 132 (46/116) ======================= q-point: (-0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.295 ( -24.443 -8.254 -3.208) 25.998 2.747 ( -22.184 11.201 -9.307) 26.537 3.273 ( 14.806 5.157 3.983) 16.176 4.043 ( 2.167 -2.337 3.732) 4.908 4.305 ( 5.141 -7.479 5.265) 10.492 4.772 ( -21.859 2.280 0.094) 21.977 5.573 ( 13.082 -18.003 -3.336) 22.503 5.900 ( 6.524 2.565 -4.484) 8.321 5.982 ( -4.443 -1.122 3.895) 6.015 6.321 ( 2.285 11.749 -10.065) 15.639 6.482 ( 11.851 12.055 -3.484) 17.260 6.934 ( 1.610 0.262 6.583) 6.782 7.260 ( 5.367 5.284 7.291) 10.482 7.559 ( -2.787 -0.003 -1.150) 3.014 8.131 ( 2.794 -6.860 -4.561) 8.698 8.694 ( -4.331 0.035 1.143) 4.479 9.469 ( -19.554 -9.267 2.553) 21.789 10.379 ( 14.341 4.870 -0.562) 15.156 11.185 ( -2.049 -1.255 1.401) 2.782 11.928 ( -5.266 0.512 1.095) 5.403 12.353 ( 4.897 -0.818 0.154) 4.967 15.074 ( -7.370 2.447 -2.673) 8.213 15.279 ( 1.565 2.215 -0.872) 2.849 15.378 ( -0.189 4.020 -5.008) 6.425 15.484 ( 1.110 -2.948 1.301) 3.408 15.642 ( 1.459 -1.264 3.060) 3.618 16.025 ( -0.535 -2.171 -0.021) 2.236 16.057 ( -0.423 0.819 -0.430) 1.017 16.297 ( 8.035 -0.691 1.142) 8.145 16.388 ( 2.216 -1.377 -0.539) 2.664 16.776 ( -1.194 1.935 4.931) 5.429 17.010 ( -1.209 -3.031 -10.273) 10.779 17.350 ( 1.237 0.803 -4.273) 4.521 17.445 ( 0.531 4.346 -0.452) 4.402 17.627 ( -3.594 -1.537 5.001) 6.347 17.879 ( -4.964 -1.371 0.132) 5.152 18.128 ( -4.742 -3.103 5.303) 7.762 18.307 ( -1.283 -0.883 1.905) 2.461 18.405 ( 10.105 2.919 -0.531) 10.532 ======================= Grid point 133 (47/116) ======================= q-point: (-0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( -26.539 -7.308 1.882) 27.591 2.357 ( -29.760 7.643 -7.660) 31.667 3.536 ( 3.608 -3.186 1.263) 4.976 3.911 ( -11.879 -13.723 3.621) 18.508 4.244 ( -4.291 2.117 1.158) 4.923 4.433 ( -14.346 -0.733 2.853) 14.645 5.640 ( 10.497 -9.041 -2.255) 14.036 5.885 ( -0.039 1.713 -4.702) 5.004 6.141 ( 11.408 2.922 1.935) 11.934 6.303 ( -8.012 7.537 -6.833) 12.950 6.742 ( 16.061 3.886 -5.783) 17.507 7.119 ( 9.606 4.215 4.932) 11.592 7.426 ( 5.685 1.026 4.700) 7.447 7.531 ( -2.471 3.908 1.848) 4.980 8.114 ( 3.275 -3.321 -3.034) 5.564 8.641 ( -1.721 -0.034 0.977) 1.980 9.024 ( -24.570 -9.321 2.736) 26.421 10.695 ( 17.241 5.149 -0.181) 17.994 11.166 ( -0.468 -0.577 1.754) 1.905 11.821 ( -7.219 -1.207 -0.050) 7.319 12.462 ( 7.183 1.035 0.673) 7.288 14.813 ( -19.186 -3.893 -1.598) 19.642 15.289 ( -1.471 0.808 -0.858) 1.885 15.383 ( 1.588 2.894 -4.410) 5.509 15.520 ( 2.591 0.332 0.562) 2.672 15.673 ( 1.817 -2.961 2.856) 4.497 16.000 ( -3.335 0.405 0.269) 3.370 16.048 ( 2.232 -0.037 -0.782) 2.365 16.411 ( 2.569 -1.049 -0.584) 2.836 16.522 ( 14.097 3.008 -0.158) 14.415 16.772 ( -3.932 -0.972 3.389) 5.281 16.896 ( -2.612 0.927 -6.551) 7.113 17.340 ( 0.283 0.411 -4.978) 5.003 17.493 ( 1.255 2.759 1.398) 3.338 17.614 ( -0.198 -2.418 5.480) 5.993 17.786 ( -5.352 0.214 -0.397) 5.371 18.029 ( -5.683 -3.198 0.687) 6.558 18.309 ( 0.667 -0.163 1.801) 1.928 18.622 ( 11.625 2.722 1.271) 12.007 ======================= Grid point 134 (48/116) ======================= q-point: (-0.10 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( -24.424 -3.886 11.903) 27.446 1.852 ( -36.170 6.758 -2.966) 36.916 2.957 ( -46.071 -17.325 4.251) 49.404 4.014 ( 15.208 3.045 -1.207) 15.557 4.146 ( -11.155 -0.535 0.975) 11.210 4.360 ( 4.167 -2.079 -0.316) 4.667 5.682 ( 4.609 -4.567 -4.450) 7.868 5.871 ( 0.393 1.443 -6.460) 6.631 6.109 ( -10.185 4.835 -9.227) 14.569 6.450 ( 13.793 2.599 11.114) 17.903 6.961 ( 13.355 3.362 -12.760) 18.774 7.290 ( 6.219 0.297 0.103) 6.227 7.495 ( 3.065 -1.652 -0.104) 3.483 7.579 ( 1.824 -0.823 3.678) 4.187 8.126 ( -2.048 2.356 6.926) 7.597 8.596 ( -22.439 -5.217 6.151) 23.845 8.690 ( 6.252 0.877 1.144) 6.416 10.993 ( 14.974 2.827 -0.094) 15.239 11.184 ( 1.184 -0.121 3.218) 3.431 11.690 ( -7.082 -1.308 -0.692) 7.235 12.593 ( 7.019 1.059 0.993) 7.168 14.443 ( -19.846 -3.405 -1.667) 20.205 15.258 ( -1.257 0.044 -2.052) 2.407 15.414 ( 2.163 2.787 -3.991) 5.327 15.559 ( 0.709 1.513 0.371) 1.712 15.668 ( 0.086 -4.521 1.388) 4.730 15.928 ( -4.565 -0.667 -1.584) 4.878 16.116 ( 4.493 1.660 0.419) 4.809 16.438 ( 2.347 -0.685 -0.882) 2.599 16.648 ( -1.337 -0.115 -3.703) 3.939 16.751 ( -0.637 0.598 3.996) 4.091 16.915 ( 7.023 3.296 -0.428) 7.770 17.304 ( -0.842 1.688 -6.759) 7.017 17.541 ( 1.610 -0.312 -1.919) 2.524 17.629 ( 0.461 -2.586 6.348) 6.870 17.737 ( -2.715 2.525 3.362) 5.005 17.900 ( -6.270 -2.899 -2.294) 7.279 18.342 ( 1.530 0.055 2.418) 2.862 18.826 ( 10.687 0.612 1.638) 10.829 ======================= Grid point 138 (49/116) ======================= q-point: ( 0.30 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( 0.000 23.676 8.145) 25.038 1.907 ( -0.000 9.655 25.830) 27.575 2.656 ( 0.000 47.461 9.455) 48.393 4.006 ( 0.000 9.678 -2.627) 10.028 4.116 ( -0.000 -13.607 -2.502) 13.835 4.380 ( 0.000 -0.761 -1.771) 1.927 5.318 ( 0.000 12.742 -20.056) 23.761 5.408 ( 0.000 7.949 -16.702) 18.498 5.642 ( 0.000 -1.661 -7.996) 8.166 6.584 ( 0.000 -6.832 -11.917) 13.736 6.829 ( 0.000 -6.902 -9.768) 11.961 7.323 ( -0.000 -9.643 6.712) 11.749 7.736 ( -0.000 -5.511 7.585) 9.376 7.766 ( -0.000 -8.298 6.529) 10.558 8.490 ( -0.000 -3.892 10.020) 10.749 8.697 ( 0.000 13.785 9.929) 16.989 8.799 ( -0.000 -7.554 -1.868) 7.782 11.169 ( -0.000 -12.795 0.592) 12.808 11.409 ( -0.000 -2.859 4.343) 5.200 11.646 ( -0.000 3.276 7.263) 7.967 12.710 ( -0.000 -7.412 -0.725) 7.447 14.131 ( 0.000 16.334 -3.167) 16.638 15.112 ( 0.000 0.876 -5.093) 5.168 15.256 ( 0.000 -2.104 -5.551) 5.937 15.580 ( -0.000 0.705 0.903) 1.146 15.666 ( 0.000 8.482 -8.938) 12.322 15.688 ( 0.000 3.788 -0.399) 3.809 16.213 ( -0.000 -5.118 2.083) 5.525 16.438 ( 0.000 -1.519 -1.374) 2.048 16.510 ( 0.000 -0.972 -2.193) 2.399 16.797 ( 0.000 5.429 1.482) 5.627 16.928 ( 0.000 2.644 -3.751) 4.590 17.202 ( -0.000 -3.234 2.184) 3.902 17.391 ( 0.000 2.656 -4.320) 5.071 17.534 ( 0.000 7.480 -5.245) 9.136 17.941 ( -0.000 -3.362 9.470) 10.049 18.072 ( -0.000 0.831 9.229) 9.267 18.380 ( -0.000 -1.623 -0.583) 1.725 19.116 ( -0.000 -13.908 4.814) 14.717 ======================= Grid point 139 (50/116) ======================= q-point: ( 0.40 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( 25.492 17.464 8.210) 31.972 2.195 ( 8.491 7.634 20.743) 23.678 3.150 ( 1.878 40.720 3.354) 40.901 3.909 ( -6.484 -13.166 -3.594) 15.110 4.129 ( 3.844 14.547 -2.218) 15.209 4.321 ( -5.512 -0.857 -1.476) 5.770 5.288 ( 0.853 10.541 -12.100) 16.071 5.507 ( 8.133 7.626 -13.853) 17.782 5.615 ( 5.384 2.880 -9.348) 11.166 6.441 ( -0.873 -8.412 -10.007) 13.102 6.685 ( -1.304 -7.183 -4.023) 8.336 7.245 ( -6.442 -1.476 1.395) 6.754 7.616 ( -8.683 -9.584 7.505) 14.952 7.748 ( 0.820 -10.531 3.951) 11.278 8.473 ( -0.931 -10.101 3.725) 10.806 8.740 ( -1.215 -0.398 2.161) 2.511 8.946 ( 5.737 16.105 8.197) 18.960 10.993 ( -5.758 -15.335 0.213) 16.382 11.393 ( -2.074 -2.614 3.859) 5.102 11.737 ( 1.969 3.132 6.219) 7.236 12.612 ( -3.141 -6.194 -1.263) 7.059 14.327 ( 6.790 17.957 -3.333) 19.485 15.099 ( 1.242 1.547 -4.554) 4.968 15.230 ( 2.710 -1.396 -4.594) 5.514 15.594 ( -0.831 1.693 -1.011) 2.140 15.619 ( -3.668 5.005 -2.382) 6.646 15.788 ( 4.600 5.057 -3.057) 7.489 16.177 ( -0.177 -5.518 2.138) 5.920 16.388 ( -1.768 -1.833 -0.918) 2.707 16.542 ( 5.078 -1.594 -1.596) 5.557 16.860 ( 0.226 3.377 0.552) 3.429 16.880 ( -1.636 -5.812 -1.143) 6.145 17.224 ( 1.632 3.271 1.353) 3.898 17.386 ( -0.430 3.147 -3.437) 4.680 17.581 ( 1.477 7.256 -5.113) 8.999 17.967 ( -0.038 -3.701 8.642) 9.402 18.123 ( -1.328 0.353 7.404) 7.530 18.354 ( -0.202 -2.760 -0.921) 2.917 18.956 ( -7.284 -12.766 4.000) 15.232 ======================= Grid point 140 (51/116) ======================= q-point: ( 0.50 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.366 ( 9.829 8.132 12.300) 17.720 2.758 ( 34.843 13.305 9.239) 38.425 3.425 ( -5.606 24.630 -4.666) 25.687 3.615 ( -11.470 -14.465 -1.214) 18.501 4.182 ( -7.261 -1.526 -2.702) 7.896 4.416 ( 9.161 25.410 -1.675) 27.062 5.391 ( 8.357 2.758 -3.395) 9.433 5.554 ( 4.873 0.130 -7.153) 8.656 5.759 ( 9.528 9.905 -9.994) 16.993 6.255 ( -4.031 -8.467 -6.335) 11.317 6.679 ( 6.322 0.951 -1.548) 6.578 7.085 ( -13.777 1.037 -2.441) 14.030 7.413 ( -10.888 -8.973 8.617) 16.532 7.655 ( 0.251 -12.537 -0.110) 12.540 8.338 ( -3.965 -10.895 -0.112) 11.595 8.768 ( -0.037 2.132 3.683) 4.255 9.267 ( 9.244 15.676 6.472) 19.315 10.712 ( -10.333 -16.553 -0.504) 19.520 11.348 ( -3.411 -2.451 3.004) 5.164 11.846 ( 3.333 3.411 4.704) 6.698 12.484 ( -4.837 -5.482 -1.509) 7.465 14.618 ( 11.070 17.393 -3.426) 20.900 15.127 ( 2.946 3.188 -3.520) 5.589 15.252 ( 4.230 -0.263 -3.745) 5.656 15.560 ( -3.206 4.197 -3.545) 6.360 15.624 ( -0.426 -0.385 2.657) 2.718 15.881 ( 3.551 4.686 -2.312) 6.318 16.129 ( -1.196 -5.345 1.782) 5.759 16.348 ( -0.358 -2.175 -0.502) 2.261 16.590 ( 2.371 -4.652 0.656) 5.263 16.713 ( -4.980 -8.378 0.237) 9.749 16.929 ( 2.862 2.545 -1.715) 4.196 17.304 ( 2.051 5.475 -1.261) 5.981 17.395 ( -0.255 3.760 -2.179) 4.354 17.653 ( 2.582 6.943 -2.760) 7.905 17.984 ( 0.064 -3.961 7.189) 8.208 18.130 ( -2.147 -1.004 4.629) 5.201 18.312 ( -1.094 -2.855 -0.526) 3.103 18.725 ( -10.263 -10.194 3.028) 14.779 ======================= Grid point 141 (52/116) ======================= q-point: ( 0.60 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.634 ( 6.893 7.256 5.081) 11.225 3.227 ( -12.920 -11.241 -0.802) 17.145 3.388 ( -14.776 31.255 -3.630) 34.762 3.560 ( 32.109 -2.833 5.466) 32.694 4.072 ( -1.813 -2.118 -1.146) 3.014 4.783 ( 8.873 21.148 -2.395) 23.059 5.393 ( 1.720 -19.171 -3.591) 19.580 5.642 ( 8.218 1.365 -1.663) 8.495 5.952 ( 12.047 8.144 -8.143) 16.666 6.174 ( -1.616 5.904 2.298) 6.538 6.724 ( -11.573 -3.830 -1.877) 12.334 6.888 ( -0.977 9.534 -3.456) 10.188 7.264 ( -6.811 -3.267 8.972) 11.729 7.554 ( 2.790 -10.304 -3.451) 11.219 8.164 ( -4.608 -10.288 -1.303) 11.348 8.799 ( -1.433 1.855 2.451) 3.392 9.592 ( 8.861 12.104 5.237) 15.889 10.371 ( -11.430 -15.108 -1.594) 19.011 11.283 ( -3.734 -2.213 1.987) 4.774 11.964 ( 3.206 4.247 3.324) 6.274 12.344 ( -4.456 -5.622 -1.437) 7.316 14.927 ( 10.866 13.887 -3.334) 17.945 15.205 ( 3.719 5.668 -2.400) 7.192 15.304 ( 4.167 1.550 -3.555) 5.692 15.538 ( -1.678 3.335 -1.581) 4.054 15.618 ( -0.668 -3.143 3.579) 4.809 15.961 ( 2.934 4.064 -1.546) 5.245 16.062 ( -1.930 -5.906 0.925) 6.282 16.328 ( 0.702 -2.432 -0.450) 2.571 16.419 ( -8.505 -12.281 2.454) 15.139 16.721 ( 4.402 1.821 0.425) 4.783 16.967 ( 2.070 -0.447 -2.914) 3.602 17.349 ( -0.084 4.069 -4.220) 5.863 17.420 ( 0.484 4.202 -1.063) 4.361 17.734 ( -0.318 4.799 1.241) 4.967 17.984 ( -0.818 -3.578 4.224) 5.596 18.128 ( 2.172 -1.341 2.707) 3.721 18.262 ( -2.223 -2.355 0.728) 3.319 18.502 ( -9.086 -6.524 1.577) 11.296 ======================= Grid point 142 (53/116) ======================= q-point: (-0.30 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.599 ( -19.455 -0.472 -1.887) 19.552 3.108 ( 8.738 -2.062 4.317) 9.962 3.232 ( -22.513 20.130 -7.816) 31.195 4.034 ( 3.362 3.255 4.904) 6.778 4.109 ( 15.520 -4.864 3.747) 16.690 5.006 ( 0.555 10.165 -2.282) 10.433 5.173 ( 5.402 -22.804 -3.966) 23.768 5.779 ( 7.929 1.776 -0.364) 8.134 6.141 ( -11.900 -1.862 2.749) 12.354 6.166 ( 10.867 5.921 -7.147) 14.291 6.589 ( -1.919 14.281 -1.233) 14.462 6.938 ( 0.164 -0.792 1.648) 1.836 7.272 ( 1.666 0.262 5.167) 5.435 7.551 ( 5.019 2.325 -3.011) 6.298 7.998 ( -1.446 -11.143 -1.818) 11.382 8.780 ( -4.084 0.937 1.191) 4.356 9.694 ( -12.161 -2.199 4.138) 13.032 10.200 ( 8.220 -1.955 -1.916) 8.664 11.221 ( -2.908 -1.745 1.493) 3.705 12.032 ( -3.590 3.903 1.044) 5.405 12.259 ( 2.951 -4.785 -0.091) 5.622 15.142 ( 3.989 9.276 -3.386) 10.650 15.282 ( 0.283 4.082 -1.253) 4.279 15.363 ( 3.853 3.318 -3.283) 6.053 15.504 ( -5.868 -0.392 0.372) 5.893 15.628 ( 1.764 -1.194 3.013) 3.690 15.968 ( 1.205 -8.355 0.733) 8.473 16.049 ( 3.248 4.061 -1.425) 5.392 16.234 ( -2.950 -6.188 1.914) 7.117 16.331 ( 2.003 -2.115 -0.465) 2.950 16.824 ( 3.399 3.897 2.355) 5.682 16.936 ( -1.075 -2.780 -4.812) 5.660 17.337 ( -0.892 2.532 -4.251) 5.028 17.471 ( 1.066 3.862 0.348) 4.021 17.718 ( -5.359 -0.279 3.564) 6.442 17.940 ( -3.393 -1.900 1.048) 4.027 18.197 ( -3.430 -3.411 0.261) 4.844 18.247 ( 9.461 0.707 3.289) 10.042 18.353 ( -4.429 -2.332 -0.097) 5.007 ======================= Grid point 143 (54/116) ======================= q-point: (-0.20 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( -26.059 -1.229 3.380) 26.306 2.930 ( -29.821 17.141 -4.300) 34.664 3.353 ( 15.353 -0.563 1.041) 15.399 3.987 ( -9.388 -11.115 2.191) 14.713 4.189 ( 4.585 -4.777 -0.100) 6.622 4.841 ( -23.886 2.470 1.156) 24.041 5.294 ( 21.067 -6.057 -1.331) 21.961 5.871 ( -0.012 2.086 -5.399) 5.788 6.024 ( 4.520 -1.267 4.740) 6.671 6.341 ( 8.377 7.968 -11.358) 16.207 6.658 ( -4.219 6.225 2.288) 7.861 7.015 ( 8.969 -1.602 3.413) 9.730 7.326 ( 5.629 -4.169 -1.106) 7.091 7.635 ( -3.311 7.523 -0.953) 8.275 7.963 ( 9.358 -4.841 1.600) 10.657 8.711 ( -5.263 0.075 0.996) 5.357 9.358 ( -22.612 -5.633 3.250) 23.529 10.443 ( 17.604 2.298 -0.711) 17.767 11.184 ( -1.265 -1.148 1.889) 2.547 11.939 ( -8.181 0.174 -0.802) 8.222 12.344 ( 8.088 -0.828 1.106) 8.205 15.082 ( -15.691 2.377 -3.082) 16.166 15.318 ( 0.033 2.896 -0.853) 3.019 15.387 ( -3.529 1.054 -2.983) 4.740 15.458 ( 5.595 1.084 0.026) 5.699 15.638 ( 0.318 -3.896 3.000) 4.927 15.985 ( 4.606 -1.423 0.418) 4.839 16.066 ( -3.494 0.759 -1.266) 3.793 16.304 ( 13.170 -0.402 1.402) 13.251 16.354 ( 3.017 -0.768 -0.793) 3.213 16.829 ( -4.289 -3.011 -3.994) 6.589 16.920 ( 0.796 5.372 1.882) 5.748 17.325 ( -0.298 1.580 -2.784) 3.215 17.518 ( -0.023 2.732 0.718) 2.825 17.649 ( -3.531 -2.854 4.766) 6.583 17.869 ( -4.359 0.042 0.270) 4.367 18.087 ( -5.305 -3.887 -0.767) 6.621 18.310 ( -0.210 -0.594 0.906) 1.104 18.448 ( 12.057 0.382 0.967) 12.102 ======================= Grid point 144 (55/116) ======================= q-point: (-0.10 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( -24.710 1.886 10.877) 27.064 2.529 ( -35.324 11.717 2.143) 37.278 3.423 ( -16.767 -4.371 1.247) 17.373 3.779 ( 8.049 -4.398 -3.472) 9.807 4.255 ( 5.634 -0.801 -0.794) 5.746 4.419 ( -24.621 -4.046 0.365) 24.954 5.530 ( 9.611 1.915 -2.398) 10.089 5.838 ( -0.455 1.695 -6.338) 6.576 6.157 ( 4.915 0.835 -3.940) 6.354 6.419 ( 1.053 7.364 0.863) 7.488 6.713 ( 8.760 0.732 -4.298) 9.785 7.168 ( 10.056 -3.326 1.965) 10.772 7.335 ( 4.666 -8.448 -7.177) 12.027 7.603 ( -1.671 -0.236 2.154) 2.737 8.165 ( 8.085 5.349 6.963) 11.936 8.656 ( -1.415 -0.473 1.516) 2.127 8.981 ( -23.218 -0.781 5.660) 23.911 10.738 ( 17.755 -0.103 -0.534) 17.763 11.187 ( 0.643 -0.770 3.191) 3.345 11.800 ( -7.911 -0.301 -0.901) 7.968 12.479 ( 8.094 -0.339 0.952) 8.157 14.756 ( -21.587 0.705 -2.514) 21.745 15.276 ( -2.835 0.096 -2.637) 3.873 15.394 ( 1.200 3.486 -2.876) 4.676 15.550 ( 3.037 2.346 0.159) 3.841 15.619 ( 0.847 -5.377 1.373) 5.614 15.984 ( -4.523 -0.996 -2.081) 5.077 16.064 ( 4.200 1.300 1.139) 4.542 16.388 ( 2.558 0.354 -1.071) 2.795 16.558 ( 13.689 0.797 0.629) 13.726 16.723 ( -1.598 -2.549 -1.535) 3.378 16.966 ( -3.272 6.134 1.955) 7.222 17.309 ( -1.480 1.846 -2.949) 3.781 17.509 ( -0.919 -1.109 -2.674) 3.037 17.650 ( 0.615 -1.604 8.241) 8.419 17.819 ( -3.241 1.727 0.532) 3.711 17.955 ( -5.518 -3.415 -1.498) 6.660 18.329 ( 1.638 -0.388 1.887) 2.528 18.639 ( 11.985 -1.893 0.080) 12.134 ======================= Grid point 149 (56/116) ======================= q-point: ( 0.40 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( 0.000 15.141 7.440) 16.870 2.319 ( -0.000 3.637 18.010) 18.374 3.550 ( 0.000 34.437 2.881) 34.558 3.836 ( 0.000 -5.877 -4.730) 7.544 4.172 ( 0.000 12.644 -6.286) 14.120 4.381 ( -0.000 1.771 2.400) 2.983 5.371 ( 0.000 8.735 -12.050) 14.883 5.403 ( 0.000 15.151 -8.834) 17.538 5.534 ( 0.000 2.472 -7.098) 7.516 6.319 ( 0.000 -7.548 -7.677) 10.766 6.592 ( -0.000 -8.418 -1.535) 8.557 7.287 ( 0.000 -0.457 -1.491) 1.560 7.582 ( -0.000 -18.041 2.689) 18.241 7.694 ( -0.000 -8.108 5.719) 9.922 8.402 ( -0.000 -10.728 1.698) 10.861 8.767 ( -0.000 0.536 3.403) 3.445 9.117 ( 0.000 19.491 6.393) 20.513 10.884 ( -0.000 -18.242 0.029) 18.242 11.409 ( -0.000 -2.261 2.641) 3.477 11.786 ( -0.000 2.087 6.132) 6.477 12.574 ( -0.000 -5.447 -1.600) 5.677 14.424 ( 0.000 18.999 -3.071) 19.245 15.070 ( 0.000 0.989 -3.775) 3.903 15.175 ( 0.000 0.161 -3.535) 3.539 15.610 ( 0.000 1.515 0.295) 1.544 15.717 ( 0.000 7.557 -5.756) 9.500 15.745 ( 0.000 2.796 -0.614) 2.863 16.139 ( -0.000 -5.485 2.191) 5.906 16.392 ( -0.000 -1.487 -1.182) 1.899 16.468 ( -0.000 -1.460 -0.094) 1.463 16.815 ( -0.000 -11.084 0.539) 11.097 16.909 ( 0.000 5.463 -0.214) 5.467 17.260 ( 0.000 5.307 1.588) 5.539 17.390 ( 0.000 2.672 -3.363) 4.295 17.610 ( 0.000 7.829 -4.216) 8.892 17.983 ( -0.000 -4.205 7.423) 8.531 18.168 ( -0.000 -1.893 3.824) 4.267 18.333 ( -0.000 -1.916 1.249) 2.287 18.914 ( -0.000 -13.071 2.638) 13.334 ======================= Grid point 150 (57/116) ======================= q-point: ( 0.50 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( 23.478 9.519 6.907) 26.259 2.496 ( 8.347 1.748 11.664) 14.449 3.595 ( -4.016 -12.783 -0.374) 13.404 3.858 ( -12.198 32.765 -4.446) 35.244 4.258 ( -2.611 2.359 -3.675) 5.088 4.471 ( 6.841 17.392 -0.901) 18.711 5.362 ( -0.824 7.340 -3.593) 8.214 5.455 ( 1.709 -0.667 -4.581) 4.935 5.659 ( 7.711 12.626 -6.935) 16.339 6.204 ( -0.471 -4.002 -4.672) 6.169 6.574 ( 4.925 -2.057 1.393) 5.517 7.209 ( -4.608 -3.209 -6.288) 8.431 7.429 ( -0.268 -16.386 3.942) 16.855 7.595 ( -6.266 -8.593 3.463) 11.184 8.297 ( -2.325 -9.251 0.181) 9.540 8.800 ( 0.550 0.756 3.083) 3.221 9.370 ( 3.506 19.854 4.867) 20.741 10.663 ( -4.977 -19.779 -0.533) 20.403 11.386 ( -1.993 -2.194 1.676) 3.405 11.857 ( 2.140 1.730 4.833) 5.561 12.492 ( -3.082 -4.396 -1.791) 5.659 14.626 ( 5.732 17.630 -2.645) 18.726 15.082 ( 2.796 1.696 -2.440) 4.080 15.181 ( 2.223 1.271 -2.559) 3.621 15.612 ( -1.712 2.161 -2.083) 3.455 15.683 ( -3.784 3.177 0.427) 4.960 15.839 ( 4.835 4.179 -2.327) 6.801 16.104 ( -0.346 -4.838 1.905) 5.211 16.347 ( -1.975 -1.691 -0.226) 2.610 16.505 ( 4.102 -1.772 0.844) 4.547 16.681 ( -2.860 -12.444 0.767) 12.792 16.946 ( -0.573 4.303 -0.808) 4.415 17.326 ( 0.714 5.537 -0.908) 5.656 17.405 ( 1.008 2.899 -2.066) 3.699 17.674 ( 1.538 8.435 -2.041) 8.814 17.987 ( 0.057 -4.442 5.850) 7.345 18.138 ( -0.708 -5.224 -0.027) 5.272 18.331 ( -1.495 -0.007 3.380) 3.696 18.766 ( -5.289 -11.243 1.173) 12.480 ======================= Grid point 151 (58/116) ======================= q-point: ( 0.60 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.600 ( 8.384 4.499 4.986) 10.742 2.956 ( 36.369 0.309 5.127) 36.730 3.355 ( -9.886 -11.478 -0.712) 15.165 3.910 ( -14.357 30.821 -3.352) 34.166 4.130 ( -7.697 -0.441 -1.837) 7.925 4.791 ( 10.597 17.443 -3.653) 20.734 5.261 ( -7.846 -14.766 -0.855) 16.743 5.532 ( 7.078 3.309 0.888) 7.863 5.809 ( 7.719 5.410 -5.340) 10.833 6.267 ( 4.024 12.601 1.669) 13.332 6.676 ( 4.471 -2.872 0.078) 5.315 7.044 ( -4.946 0.502 -6.349) 8.064 7.335 ( 1.789 -11.482 3.479) 12.130 7.412 ( -8.133 -6.627 1.533) 10.603 8.157 ( -5.119 -7.619 -0.956) 9.228 8.832 ( 0.519 0.366 1.790) 1.900 9.644 ( 5.189 17.383 3.549) 18.485 10.364 ( -8.433 -19.273 -1.241) 21.074 11.330 ( -3.275 -2.143 0.831) 4.002 11.952 ( 4.273 1.877 3.376) 5.760 12.373 ( -5.511 -3.732 -1.825) 6.901 14.876 ( 8.625 12.978 -1.828) 15.689 15.169 ( 5.760 5.076 -1.460) 7.815 15.232 ( 3.889 1.872 -1.754) 4.659 15.578 ( -1.940 1.761 -2.551) 3.657 15.658 ( -3.368 0.059 2.802) 4.381 15.935 ( 4.000 3.816 -1.493) 5.727 16.051 ( -2.448 -5.027 1.147) 5.708 16.306 ( -0.922 -1.833 0.108) 2.055 16.440 ( -6.140 -11.473 1.897) 13.150 16.640 ( 5.899 -0.093 0.178) 5.903 16.960 ( -0.752 1.946 -0.748) 2.216 17.361 ( 0.092 4.113 -3.939) 5.696 17.439 ( 0.823 3.160 -0.940) 3.398 17.787 ( 2.231 8.110 1.431) 8.532 17.978 ( -0.100 -4.382 3.767) 5.779 18.069 ( 0.251 -5.901 -1.591) 6.117 18.315 ( -3.184 -0.428 3.481) 4.737 18.575 ( -7.240 -7.644 -0.326) 10.534 ======================= Grid point 152 (59/116) ======================= q-point: (-0.30 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.784 ( 4.959 6.138 -0.361) 7.899 3.044 ( -11.277 -9.615 1.413) 14.886 3.498 ( 17.401 -0.526 0.418) 17.414 3.929 ( -4.032 13.677 -0.712) 14.277 4.097 ( -0.964 9.984 0.602) 10.049 4.906 ( -7.125 -18.181 -0.635) 19.538 5.060 ( 6.546 7.646 -3.051) 10.518 5.685 ( 6.932 1.403 3.877) 8.065 5.985 ( 10.721 6.398 -5.061) 13.472 6.397 ( -12.319 1.736 4.819) 13.342 6.614 ( 6.335 0.297 -4.018) 7.508 7.010 ( -6.288 4.540 0.979) 7.817 7.246 ( -0.095 -7.942 -5.108) 9.443 7.429 ( 10.170 4.035 6.386) 12.668 7.980 ( -7.204 -6.639 -2.106) 10.020 8.836 ( -1.299 -0.273 0.564) 1.442 9.875 ( -1.276 11.685 3.809) 12.356 10.058 ( -2.679 -14.842 -2.916) 15.361 11.261 ( -3.231 -1.849 0.439) 3.748 12.072 ( 5.713 2.602 2.226) 6.660 12.227 ( -6.645 -3.836 -1.703) 7.860 15.097 ( 8.242 6.983 -0.372) 10.809 15.294 ( 3.588 3.596 -0.798) 5.142 15.322 ( 3.299 6.214 -2.910) 7.614 15.575 ( 1.645 -5.550 2.703) 6.388 15.618 ( -2.145 6.455 -0.637) 6.832 15.919 ( -6.445 -9.243 0.779) 11.295 16.022 ( 3.528 3.297 -0.770) 4.889 16.256 ( -4.888 -5.942 0.553) 7.714 16.293 ( 0.094 -1.706 0.275) 1.730 16.760 ( 6.591 1.502 0.308) 6.767 16.947 ( -1.657 0.481 -0.099) 1.729 17.354 ( -1.177 2.767 -4.438) 5.361 17.485 ( 1.499 3.008 0.619) 3.418 17.838 ( -5.381 1.639 3.646) 6.703 17.953 ( -0.332 -3.776 1.172) 3.968 18.073 ( 6.786 -0.937 -3.454) 7.672 18.271 ( -3.165 -2.595 4.258) 5.906 18.410 ( -5.910 -2.835 -1.560) 6.738 ======================= Grid point 153 (60/116) ======================= q-point: (-0.20 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.635 ( -23.364 3.694 3.061) 23.852 3.065 ( 16.426 -5.703 -0.813) 17.407 3.491 ( -19.663 13.295 0.056) 23.736 4.013 ( -2.084 -10.541 -2.445) 11.019 4.063 ( 1.708 -5.569 0.292) 5.832 4.920 ( 18.886 5.117 0.653) 19.578 5.126 ( -6.313 2.975 -0.026) 6.979 5.825 ( 5.546 2.079 1.278) 6.059 6.085 ( -8.024 -3.491 -1.305) 8.847 6.212 ( 4.213 5.522 -2.802) 7.489 6.773 ( 7.092 3.585 -2.167) 8.237 6.914 ( -6.721 -4.361 5.427) 9.677 7.184 ( 3.865 -5.381 -4.834) 8.201 7.747 ( 8.713 15.321 1.415) 17.682 7.792 ( -2.240 -9.690 0.800) 9.977 8.791 ( -3.771 -1.039 0.325) 3.925 9.665 ( -17.584 -4.163 1.835) 18.163 10.187 ( 14.278 1.894 -0.915) 14.432 11.207 ( -1.906 -1.365 0.826) 2.486 12.066 ( -8.305 -1.298 -1.512) 8.541 12.213 ( 7.912 0.386 1.489) 8.061 15.252 ( 0.427 6.536 -2.587) 7.042 15.328 ( -0.858 1.913 0.049) 2.097 15.370 ( 2.439 -1.421 0.234) 2.832 15.488 ( -5.437 -0.909 -0.499) 5.535 15.669 ( -7.274 0.061 0.633) 7.302 15.839 ( 11.339 -2.699 1.103) 11.708 16.103 ( 1.602 3.756 -1.509) 4.354 16.164 ( 0.793 -4.284 1.362) 4.565 16.308 ( 1.986 0.536 -0.270) 2.075 16.808 ( -0.277 -2.599 -3.123) 4.073 16.974 ( 1.710 5.360 3.073) 6.410 17.335 ( -0.719 2.015 -2.544) 3.324 17.541 ( 1.030 1.878 1.467) 2.596 17.745 ( -7.237 -2.109 4.215) 8.636 17.913 ( -1.546 -1.655 -0.550) 2.331 18.092 ( -1.001 -3.936 -4.013) 5.710 18.298 ( 6.195 0.147 2.365) 6.632 18.324 ( -1.962 -0.673 -0.157) 2.080 ======================= Grid point 154 (61/116) ======================= q-point: (-0.10 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( -23.754 5.176 8.232) 25.667 3.157 ( -29.239 -1.760 6.734) 30.056 3.296 ( 16.955 -4.023 -1.296) 17.474 3.768 ( -7.008 0.354 -8.133) 10.742 4.149 ( 6.120 0.192 -1.987) 6.438 4.822 ( -26.588 -4.023 0.062) 26.890 5.374 ( 17.843 11.440 2.415) 21.332 5.849 ( -2.672 3.146 -5.072) 6.539 6.043 ( 5.387 -2.311 3.064) 6.614 6.346 ( 7.659 7.528 -9.802) 14.540 6.783 ( -9.574 1.268 6.848) 11.839 6.889 ( 12.690 -13.694 -1.293) 18.714 7.167 ( 3.607 -5.419 -6.393) 9.124 7.642 ( -3.732 -2.170 -0.582) 4.356 8.090 ( 12.196 8.284 4.845) 15.519 8.714 ( -4.297 -1.462 1.213) 4.698 9.373 ( -19.536 2.107 4.070) 20.067 10.435 ( 17.026 -1.837 -1.128) 17.162 11.190 ( 0.037 -1.035 1.994) 2.247 11.917 ( -7.695 -0.905 -0.896) 7.799 12.352 ( 7.784 0.072 0.833) 7.828 15.080 ( -18.026 1.938 -3.228) 18.415 15.312 ( -3.681 -1.468 -1.835) 4.367 15.395 ( 1.573 3.106 -0.452) 3.511 15.512 ( 4.047 3.214 -0.147) 5.170 15.578 ( -1.053 -4.600 1.041) 4.832 15.991 ( 3.951 0.906 0.658) 4.107 16.053 ( -2.906 0.245 -1.409) 3.239 16.316 ( 14.807 -0.919 1.975) 14.966 16.353 ( 2.374 1.737 -0.643) 3.011 16.729 ( -2.828 -2.513 -2.109) 4.331 17.074 ( 0.053 7.635 1.159) 7.722 17.335 ( -0.582 1.563 -0.093) 1.670 17.524 ( -4.031 -1.082 -2.421) 4.825 17.691 ( -1.037 -1.939 8.797) 9.068 17.870 ( -2.135 0.439 -2.229) 3.117 17.984 ( -3.624 -4.195 -1.827) 5.837 18.311 ( 0.854 -0.434 0.649) 1.157 18.438 ( 9.660 -1.778 0.142) 9.824 ======================= Grid point 160 (62/116) ======================= q-point: ( 0.50 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( -0.000 4.923 6.863) 8.446 2.514 ( -0.000 -0.851 7.456) 7.504 3.510 ( -0.000 -10.362 -1.787) 10.515 4.246 ( 0.000 5.918 -6.982) 9.153 4.282 ( 0.000 30.656 -2.630) 30.768 4.525 ( 0.000 7.376 2.243) 7.710 5.424 ( -0.000 -1.684 -0.106) 1.687 5.428 ( 0.000 8.005 -2.473) 8.378 5.708 ( 0.000 15.987 -3.450) 16.355 6.120 ( 0.000 -4.715 -4.031) 6.203 6.556 ( -0.000 3.222 5.793) 6.629 7.052 ( -0.000 -19.355 -10.729) 22.130 7.372 ( -0.000 -4.423 3.616) 5.713 7.608 ( -0.000 -7.134 3.586) 7.984 8.241 ( -0.000 -6.723 -0.612) 6.751 8.811 ( -0.000 -0.502 1.883) 1.949 9.564 ( 0.000 20.852 3.306) 21.112 10.505 ( -0.000 -21.272 -0.947) 21.294 11.389 ( -0.000 -1.967 0.179) 1.975 11.877 ( -0.000 0.247 4.177) 4.184 12.472 ( -0.000 -2.758 -1.969) 3.389 14.721 ( 0.000 15.158 -1.582) 15.240 15.056 ( 0.000 0.913 -0.642) 1.116 15.168 ( 0.000 2.294 -1.592) 2.792 15.633 ( 0.000 1.700 -1.901) 2.550 15.767 ( 0.000 0.704 -0.926) 1.164 15.801 ( 0.000 6.012 -0.423) 6.027 16.080 ( -0.000 -3.493 1.640) 3.859 16.358 ( -0.000 -0.719 -0.451) 0.848 16.464 ( -0.000 -1.445 3.272) 3.577 16.592 ( -0.000 -12.485 0.976) 12.523 16.983 ( 0.000 3.836 -1.927) 4.293 17.365 ( 0.000 4.354 -1.328) 4.552 17.401 ( 0.000 2.589 -2.399) 3.530 17.735 ( 0.000 9.171 -0.678) 9.196 17.977 ( -0.000 -4.786 4.317) 6.445 18.081 ( -0.000 -6.781 -0.466) 6.797 18.376 ( -0.000 0.892 3.442) 3.556 18.707 ( -0.000 -9.992 -0.987) 10.041 ======================= Grid point 161 (63/116) ======================= q-point: (-0.40 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.424 ( 23.572 0.825 5.340) 24.184 2.569 ( 7.000 -4.751 3.062) 8.997 3.385 ( -4.776 -5.338 -2.290) 7.519 4.206 ( -4.732 5.874 -4.997) 9.048 4.366 ( -12.242 14.211 -0.215) 18.758 4.726 ( 10.924 10.914 -1.651) 15.530 5.346 ( -10.662 -4.391 1.717) 11.658 5.509 ( 2.234 4.635 4.592) 6.896 5.761 ( -0.234 5.310 -1.617) 5.556 6.226 ( 12.973 7.342 -1.863) 15.022 6.643 ( -0.974 -2.627 2.682) 3.879 6.864 ( 7.623 -7.039 -7.947) 13.069 7.339 ( -3.492 -2.126 2.905) 5.015 7.511 ( -6.624 -4.943 2.804) 8.727 8.160 ( -2.977 -4.219 -1.778) 5.461 8.819 ( 1.089 -1.442 0.482) 1.870 9.771 ( 1.672 15.652 1.315) 15.796 10.278 ( -4.027 -17.578 -0.928) 18.057 11.353 ( -1.822 -1.869 -0.968) 2.784 11.919 ( 2.650 -0.875 3.074) 4.152 12.413 ( -3.476 -1.027 -2.012) 4.145 14.870 ( 4.411 9.448 -0.094) 10.428 15.108 ( 4.886 2.358 0.813) 5.486 15.199 ( 1.918 2.406 -0.624) 3.139 15.608 ( -2.404 0.484 -2.653) 3.613 15.733 ( -3.017 0.895 0.684) 3.220 15.897 ( 3.778 4.023 0.337) 5.530 16.054 ( -1.192 -2.707 0.950) 3.106 16.327 ( -2.435 -0.533 0.595) 2.562 16.433 ( -3.524 -8.408 0.620) 9.137 16.555 ( 4.905 -1.176 3.413) 6.090 16.989 ( -1.027 2.042 -2.079) 3.090 17.372 ( -0.539 2.927 -3.731) 4.773 17.434 ( 1.945 2.243 -1.263) 3.226 17.828 ( 2.002 6.697 -0.098) 6.991 17.961 ( 0.670 -3.652 2.560) 4.510 18.016 ( -1.368 -5.355 1.356) 5.691 18.376 ( -2.325 -1.250 2.208) 3.442 18.588 ( -3.631 -5.452 -2.748) 7.103 ======================= Grid point 162 (64/116) ======================= q-point: (-0.30 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.621 ( 9.854 -6.504 -1.775) 11.939 2.974 ( 36.096 -4.717 4.076) 36.630 3.227 ( -11.235 1.451 -1.270) 11.399 4.120 ( -7.408 1.344 -1.192) 7.622 4.276 ( -9.125 4.471 -2.330) 10.425 4.969 ( 10.225 4.264 -0.608) 11.095 5.047 ( -19.053 -0.054 1.504) 19.112 5.638 ( 5.035 0.991 7.603) 9.172 5.885 ( 7.193 7.210 0.930) 10.227 6.402 ( 3.083 -14.440 -6.428) 16.104 6.574 ( 4.199 8.527 1.272) 9.590 7.031 ( 7.735 6.510 -4.474) 11.056 7.236 ( -9.613 -2.581 2.938) 10.378 7.434 ( 0.163 1.411 6.436) 6.591 8.041 ( -6.428 -1.216 -3.516) 7.427 8.821 ( 1.274 -2.258 -0.653) 2.674 9.857 ( 3.489 -10.313 -3.255) 11.363 10.112 ( -7.293 7.253 2.086) 10.495 11.291 ( -2.686 -1.637 -1.460) 3.468 11.985 ( 5.243 -2.641 2.053) 6.219 12.321 ( -6.310 1.399 -1.868) 6.728 15.025 ( 7.069 2.923 2.060) 7.922 15.257 ( 4.670 2.799 0.250) 5.450 15.265 ( 7.511 2.881 1.010) 8.107 15.539 ( -2.902 -2.663 -1.928) 4.386 15.695 ( -2.946 0.626 0.731) 3.099 15.984 ( -5.565 -1.888 -0.140) 5.878 15.991 ( 3.407 2.732 0.969) 4.473 16.288 ( -3.679 -0.951 -0.423) 3.824 16.304 ( -3.202 -2.015 0.321) 3.797 16.678 ( 6.320 0.699 3.668) 7.340 16.969 ( -0.929 0.469 -1.307) 1.671 17.360 ( -0.447 2.034 -4.568) 5.020 17.482 ( 2.197 1.720 0.322) 2.809 17.872 ( 2.325 -3.282 -2.226) 4.597 17.945 ( -1.619 -5.266 1.210) 5.640 18.009 ( 0.418 5.233 3.417) 6.264 18.312 ( -3.062 -4.152 1.349) 5.332 18.471 ( -5.483 0.453 -3.415) 6.475 ======================= Grid point 163 (65/116) ======================= q-point: (-0.20 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.709 ( 14.300 -13.169 -4.014) 19.850 3.043 ( -17.063 9.561 1.302) 19.603 3.491 ( 28.482 -3.081 0.072) 28.649 3.969 ( -13.103 -14.704 1.735) 19.771 4.069 ( -6.333 -3.955 -0.401) 7.477 4.928 ( -3.570 19.138 -0.046) 19.468 5.129 ( 5.884 -0.863 -0.172) 5.949 5.775 ( 5.222 0.580 6.116) 8.063 6.075 ( 3.942 6.200 -0.336) 7.355 6.210 ( -0.236 -10.652 -2.816) 11.020 6.731 ( -0.946 6.628 2.071) 7.008 7.039 ( 1.049 -5.816 -6.940) 9.115 7.086 ( -8.842 0.735 4.273) 9.847 7.635 ( 10.171 1.813 8.273) 13.236 7.909 ( -6.994 7.629 -6.039) 11.983 8.802 ( -0.187 -3.032 -0.831) 3.149 9.717 ( 1.145 -15.853 -3.400) 16.254 10.160 ( -3.786 13.531 1.851) 14.172 11.228 ( -2.137 -1.221 -1.123) 2.705 12.040 ( 4.155 -6.821 0.889) 8.036 12.241 ( -4.981 6.017 -1.060) 7.883 15.181 ( 8.646 -1.149 3.755) 9.496 15.327 ( 2.911 1.317 0.469) 3.230 15.411 ( -2.377 6.415 -3.468) 7.670 15.454 ( 3.955 -9.535 2.536) 10.630 15.673 ( 1.111 -5.166 0.597) 5.318 15.867 ( -8.166 8.252 -1.625) 11.723 16.070 ( 3.400 0.219 1.704) 3.809 16.197 ( -5.211 1.785 -1.940) 5.840 16.300 ( 0.335 1.672 0.470) 1.769 16.766 ( 1.795 -2.073 1.189) 2.988 16.992 ( 2.952 3.539 1.083) 4.734 17.342 ( -0.301 1.551 -3.159) 3.532 17.536 ( 2.145 0.184 1.766) 2.784 17.836 ( -1.491 -3.574 -3.275) 5.072 17.881 ( -1.066 -3.648 2.087) 4.336 18.049 ( -0.849 -1.107 -0.551) 1.500 18.274 ( 0.387 0.196 2.468) 2.506 18.375 ( -5.111 2.035 -2.900) 6.218 ======================= Grid point 164 (66/116) ======================= q-point: (-0.10 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.700 ( -4.108 -7.115 -0.000) 8.215 2.971 ( 2.287 3.961 0.000) 4.574 3.477 ( -16.142 -27.959 0.000) 32.284 3.797 ( 5.517 9.555 0.000) 11.033 4.068 ( 2.125 3.680 0.000) 4.250 5.083 ( -5.116 -8.861 0.000) 10.232 5.232 ( 12.515 21.676 0.000) 25.029 5.875 ( 1.420 2.459 -0.000) 2.840 6.005 ( -1.815 -3.145 0.000) 3.631 6.313 ( 4.337 7.512 0.000) 8.675 6.655 ( -4.880 -8.452 0.000) 9.759 6.979 ( -2.634 -4.563 -0.000) 5.269 7.014 ( -0.447 -0.774 0.000) 0.894 7.663 ( -2.970 -5.144 0.000) 5.940 8.039 ( 7.811 13.529 0.000) 15.622 8.750 ( -1.948 -3.375 0.000) 3.897 9.598 ( -2.890 -5.005 0.000) 5.779 10.242 ( 2.898 5.019 0.000) 5.796 11.192 ( -0.528 -0.914 0.000) 1.056 11.984 ( -2.903 -5.028 0.000) 5.806 12.279 ( 2.527 4.377 0.000) 5.055 15.271 ( -4.419 -7.654 -0.000) 8.838 15.296 ( -0.062 -0.107 0.000) 0.123 15.394 ( 2.402 4.160 0.000) 4.804 15.496 ( 0.736 1.275 0.000) 1.472 15.585 ( -2.902 -5.026 0.000) 5.803 15.943 ( 4.611 7.986 0.000) 9.221 16.095 ( -1.819 -3.150 -0.000) 3.637 16.168 ( 2.404 4.163 0.000) 4.807 16.340 ( 1.578 2.733 0.000) 3.156 16.734 ( -1.747 -3.025 0.000) 3.493 17.112 ( 3.823 6.621 0.000) 7.646 17.347 ( 0.674 1.167 0.000) 1.348 17.552 ( -1.179 -2.043 -0.000) 2.359 17.741 ( -2.438 -4.223 0.000) 4.876 17.866 ( -0.123 -0.212 0.000) 0.245 17.982 ( -2.348 -4.066 0.000) 4.695 18.310 ( -0.557 -0.964 0.000) 1.114 18.340 ( 1.825 3.162 0.000) 3.651 ======================= Grid point 172 (67/116) ======================= q-point: (-0.40 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.230 ( -0.000 -4.805 6.324) 7.943 2.463 ( -0.000 -9.428 -1.716) 9.583 3.389 ( 0.000 1.878 -2.524) 3.146 4.252 ( 0.000 4.151 -5.720) 7.068 4.604 ( -0.000 -1.070 -0.614) 1.233 4.631 ( 0.000 4.218 1.770) 4.575 5.444 ( -0.000 1.149 5.249) 5.374 5.584 ( -0.000 3.474 7.454) 8.224 5.891 ( 0.000 5.615 1.518) 5.816 6.088 ( 0.000 5.942 -0.163) 5.944 6.482 ( -0.000 -17.551 -10.556) 20.481 6.882 ( 0.000 16.906 4.074) 17.390 7.370 ( -0.000 -0.541 1.794) 1.874 7.542 ( -0.000 -3.393 1.601) 3.752 8.146 ( 0.000 -1.028 -2.496) 2.699 8.788 ( -0.000 -2.592 -0.917) 2.750 9.810 ( -0.000 -7.493 -2.538) 7.911 10.230 ( 0.000 4.289 0.965) 4.397 11.340 ( 0.000 -1.568 -2.592) 3.030 11.898 ( -0.000 -2.877 2.470) 3.792 12.430 ( 0.000 1.274 -2.042) 2.407 14.899 ( 0.000 2.805 1.537) 3.198 15.094 ( -0.000 1.655 2.826) 3.276 15.203 ( 0.000 1.998 0.418) 2.041 15.613 ( 0.000 -0.389 -2.815) 2.842 15.759 ( 0.000 0.503 -1.391) 1.479 15.915 ( -0.000 3.224 3.250) 4.578 16.048 ( -0.000 -1.715 0.543) 1.799 16.359 ( -0.000 0.687 0.552) 0.881 16.406 ( -0.000 -3.172 -1.090) 3.354 16.534 ( -0.000 -0.535 6.712) 6.733 16.993 ( 0.000 0.866 -3.401) 3.510 17.371 ( 0.000 0.155 -3.541) 3.544 17.425 ( 0.000 2.623 -1.286) 2.921 17.836 ( 0.000 -0.066 -2.341) 2.342 17.921 ( -0.000 -4.831 0.862) 4.908 18.044 ( -0.000 2.565 5.369) 5.950 18.373 ( -0.000 -5.284 -0.038) 5.284 18.574 ( 0.000 1.438 -3.942) 4.196 ======================= Grid point 173 (68/116) ======================= q-point: (-0.30 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.373 ( 5.588 -13.882 -5.655) 15.998 2.423 ( 25.566 -8.945 5.209) 27.582 3.388 ( -4.457 8.336 -1.668) 9.599 4.213 ( -4.525 2.241 -4.353) 6.667 4.397 ( -11.409 -11.482 1.070) 16.222 4.772 ( 12.426 -8.429 0.430) 15.021 5.400 ( -14.367 6.112 3.732) 16.053 5.641 ( 1.288 -0.123 8.380) 8.479 5.920 ( 1.082 7.215 7.207) 10.255 6.217 ( 0.958 -5.850 -4.378) 7.369 6.434 ( 14.326 3.983 -3.056) 15.180 7.068 ( 0.564 14.619 -0.412) 14.636 7.360 ( -3.758 0.618 3.200) 4.974 7.495 ( -2.627 0.091 2.047) 3.332 8.104 ( -3.469 2.324 -3.630) 5.533 8.762 ( 1.324 -3.293 -1.930) 4.040 9.639 ( 1.237 -21.803 -4.759) 22.351 10.332 ( -3.366 17.383 1.537) 17.772 11.294 ( -1.402 -1.216 -3.385) 3.861 11.899 ( 2.678 -4.612 1.767) 5.619 12.411 ( -3.372 3.530 -1.880) 5.231 14.941 ( 4.774 -4.934 3.203) 7.576 15.176 ( 5.071 1.226 4.002) 6.575 15.239 ( 1.765 1.328 1.150) 2.491 15.564 ( -2.884 -0.399 -2.910) 4.116 15.738 ( -2.148 0.051 -0.803) 2.294 15.973 ( 2.128 0.213 3.132) 3.793 16.029 ( -1.280 -0.396 -0.035) 1.341 16.345 ( -2.593 0.846 1.385) 3.059 16.371 ( -3.793 4.800 -2.055) 6.454 16.625 ( 4.741 0.517 6.694) 8.219 16.964 ( -0.442 -0.743 -3.263) 3.376 17.343 ( 0.169 -0.515 -3.667) 3.706 17.460 ( 1.922 1.615 0.030) 2.510 17.803 ( 0.156 -2.938 -2.691) 3.987 17.891 ( 1.307 -4.614 -0.482) 4.819 18.099 ( -1.268 2.204 4.316) 5.009 18.306 ( -1.133 -3.941 -0.417) 4.122 18.553 ( -3.940 5.712 -4.185) 8.103 ======================= Grid point 174 (69/116) ======================= q-point: (-0.20 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.319 ( 11.479 -17.215 -7.829) 22.123 2.870 ( 35.798 -11.800 1.527) 37.724 3.366 ( -9.875 11.996 -0.269) 15.540 3.999 ( -11.000 -20.615 0.776) 23.379 4.180 ( -6.608 1.554 0.752) 6.830 4.860 ( 12.173 -17.521 -0.493) 21.341 5.277 ( -11.247 15.890 0.430) 19.473 5.745 ( 4.111 -0.180 7.481) 8.538 6.091 ( 3.961 -2.222 4.966) 6.730 6.145 ( -2.032 10.099 0.850) 10.336 6.685 ( 11.430 1.414 -0.529) 11.530 7.089 ( -8.117 6.171 -4.485) 11.139 7.263 ( -9.801 -0.363 4.476) 10.781 7.579 ( 5.375 2.929 4.712) 7.725 8.047 ( -4.999 8.868 -5.664) 11.650 8.742 ( 1.808 -3.914 -2.040) 4.769 9.445 ( 5.115 -21.267 -5.307) 22.508 10.422 ( -7.045 17.126 1.334) 18.567 11.236 ( -1.762 -0.789 -3.145) 3.690 11.915 ( 4.136 -6.495 1.207) 7.794 12.373 ( -5.043 5.909 -1.460) 7.905 15.007 ( 9.489 -11.034 4.154) 15.134 15.287 ( 3.906 -2.319 2.876) 5.376 15.312 ( 5.487 0.925 3.055) 6.348 15.496 ( -3.694 3.254 -3.061) 5.797 15.675 ( -3.759 -2.368 -0.491) 4.470 15.999 ( -2.861 3.455 -1.051) 4.607 16.026 ( 2.628 -2.384 2.597) 4.397 16.331 ( -1.537 2.128 1.057) 2.830 16.345 ( -6.604 10.460 -2.257) 12.575 16.732 ( 2.526 -1.677 4.510) 5.435 16.961 ( 3.446 1.033 -1.084) 3.757 17.326 ( 0.828 -0.219 -2.768) 2.898 17.505 ( 2.118 -0.805 1.790) 2.888 17.760 ( 0.471 -2.059 -5.539) 5.928 17.868 ( 0.975 -4.128 0.784) 4.313 18.066 ( -2.570 -4.519 0.366) 5.212 18.298 ( -0.152 1.915 1.769) 2.612 18.496 ( -7.027 7.019 -3.373) 10.489 ======================= Grid point 183 (70/116) ======================= q-point: (-0.30 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( -0.000 -17.783 -9.313) 20.074 2.132 ( -0.000 -14.540 6.009) 15.732 3.508 ( 0.000 11.600 -1.061) 11.649 4.251 ( 0.000 3.239 -5.349) 6.253 4.377 ( -0.000 -32.135 0.461) 32.139 4.492 ( -0.000 -8.943 0.382) 8.951 5.598 ( -0.000 4.409 8.026) 9.158 5.699 ( -0.000 -1.059 7.103) 7.182 5.951 ( -0.000 -5.453 8.154) 9.809 6.264 ( 0.000 9.460 -8.509) 12.723 6.350 ( 0.000 14.590 8.368) 16.820 7.183 ( 0.000 11.107 -3.597) 11.675 7.434 ( 0.000 5.225 3.459) 6.266 7.522 ( 0.000 0.211 -0.565) 0.603 8.139 ( 0.000 4.179 -3.667) 5.560 8.706 ( 0.000 -2.877 -2.563) 3.853 9.370 ( -0.000 -25.322 -5.822) 25.982 10.541 ( 0.000 19.286 0.903) 19.307 11.270 ( 0.000 -0.660 -4.483) 4.531 11.839 ( -0.000 -5.869 1.354) 6.023 12.466 ( 0.000 5.070 -1.736) 5.359 14.834 ( -0.000 -13.176 3.581) 13.654 15.184 ( -0.000 1.628 5.281) 5.526 15.245 ( -0.000 1.208 1.854) 2.213 15.568 ( 0.000 -0.066 -2.383) 2.383 15.754 ( 0.000 0.929 -1.729) 1.962 15.966 ( -0.000 -2.640 3.699) 4.544 16.036 ( 0.000 0.657 -0.167) 0.678 16.393 ( 0.000 1.612 1.067) 1.934 16.453 ( 0.000 7.915 -0.152) 7.917 16.645 ( -0.000 2.710 6.971) 7.479 16.926 ( 0.000 -2.252 -4.552) 5.079 17.304 ( -0.000 -2.883 -1.484) 3.243 17.465 ( 0.000 2.546 0.074) 2.547 17.768 ( 0.000 -1.975 -2.246) 2.991 17.827 ( -0.000 -4.256 -2.030) 4.715 18.111 ( -0.000 -5.049 -0.066) 5.049 18.302 ( -0.000 1.310 1.323) 1.862 18.631 ( 0.000 9.248 -4.110) 10.120 ======================= Grid point 184 (71/116) ======================= q-point: (-0.20 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( 6.645 -20.179 -11.124) 23.981 2.236 ( 25.621 -18.243 4.082) 31.716 3.562 ( -3.995 4.037 -1.210) 5.807 3.954 ( -8.242 -23.138 -0.686) 24.571 4.273 ( -0.969 0.906 -1.557) 2.045 4.470 ( 8.701 -17.144 -1.054) 19.254 5.566 ( -10.818 4.138 5.032) 12.628 5.751 ( 1.946 0.922 7.905) 8.192 6.050 ( 6.809 -2.902 10.075) 12.501 6.308 ( -1.908 14.664 -3.982) 15.314 6.591 ( 4.306 9.656 7.052) 12.708 7.210 ( -3.043 6.704 -4.391) 8.572 7.439 ( -7.025 2.425 2.089) 7.720 7.562 ( 2.958 3.774 0.115) 4.796 8.141 ( -1.629 6.515 -5.171) 8.476 8.674 ( 0.583 -1.732 -2.359) 2.984 9.120 ( 3.626 -24.510 -6.404) 25.591 10.686 ( -4.320 17.974 0.583) 18.495 11.228 ( -0.938 -0.123 -4.382) 4.482 11.808 ( 2.361 -6.771 1.022) 7.244 12.485 ( -2.837 6.352 -1.424) 7.101 14.762 ( 6.211 -17.625 3.383) 18.991 15.243 ( 1.992 -1.087 4.086) 4.674 15.298 ( 2.325 2.969 3.522) 5.160 15.544 ( -1.431 1.533 -1.855) 2.800 15.716 ( -3.543 -0.958 -1.303) 3.894 15.977 ( 2.023 -3.613 2.677) 4.931 16.046 ( -0.605 2.998 -0.542) 3.106 16.390 ( -2.379 1.703 1.470) 3.274 16.521 ( -2.335 10.172 0.147) 10.438 16.729 ( 0.562 1.773 4.800) 5.148 16.890 ( 2.955 -1.702 -3.268) 4.724 17.284 ( 1.204 -2.432 0.360) 2.737 17.495 ( 0.538 1.247 1.328) 1.900 17.721 ( -1.283 -0.890 -4.806) 5.054 17.801 ( 2.447 -3.465 -1.146) 4.394 18.034 ( -0.965 -7.149 -1.311) 7.332 18.329 ( -0.201 2.098 0.480) 2.162 18.660 ( -4.907 10.429 -2.792) 11.859 ======================= Grid point 194 (72/116) ======================= q-point: (-0.20 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( -0.000 -22.299 -13.161) 25.893 1.846 ( -0.000 -24.746 5.939) 25.449 3.396 ( -0.000 -42.597 -4.024) 42.787 3.925 ( 0.000 7.700 0.323) 7.706 4.180 ( -0.000 -5.309 -3.643) 6.438 4.388 ( -0.000 -1.402 0.940) 1.688 5.754 ( -0.000 -0.793 4.077) 4.153 5.775 ( -0.000 2.357 8.798) 9.108 5.986 ( -0.000 -5.922 12.678) 13.993 6.417 ( 0.000 16.052 -9.845) 18.831 6.773 ( -0.000 13.797 14.084) 19.716 7.269 ( 0.000 5.926 -2.321) 6.364 7.519 ( 0.000 1.584 -3.100) 3.481 7.570 ( 0.000 5.352 -1.315) 5.512 8.148 ( 0.000 1.161 -5.672) 5.790 8.669 ( 0.000 3.474 -1.648) 3.845 8.812 ( -0.000 -24.838 -6.983) 25.801 10.888 ( 0.000 16.802 0.194) 16.803 11.208 ( 0.000 0.585 -4.402) 4.441 11.730 ( -0.000 -7.019 0.789) 7.064 12.560 ( 0.000 6.748 -1.283) 6.869 14.554 ( -0.000 -19.719 2.582) 19.887 15.244 ( -0.000 -0.924 3.064) 3.200 15.337 ( -0.000 3.560 4.731) 5.920 15.552 ( 0.000 0.611 -1.173) 1.323 15.731 ( 0.000 -1.252 -1.615) 2.043 15.938 ( -0.000 -4.159 2.246) 4.727 16.080 ( 0.000 4.188 -0.202) 4.193 16.438 ( 0.000 1.688 0.850) 1.890 16.601 ( -0.000 2.542 4.991) 5.601 16.802 ( 0.000 -4.009 -4.927) 6.352 16.821 ( 0.000 9.557 2.285) 9.827 17.264 ( -0.000 -2.218 3.995) 4.569 17.519 ( 0.000 2.282 1.321) 2.637 17.715 ( 0.000 0.371 -3.910) 3.928 17.718 ( 0.000 -3.447 -3.413) 4.850 17.963 ( -0.000 -7.702 -0.693) 7.733 18.346 ( 0.000 1.638 -1.192) 2.026 18.785 ( 0.000 11.120 -2.659) 11.434 ======================= Grid point 229 (73/116) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( -0.000 0.000 19.173) 19.173 0.767 ( -0.000 0.000 19.173) 19.173 1.724 ( -0.000 0.000 39.623) 39.623 3.861 ( 0.000 -0.000 -1.137) 1.137 4.413 ( 0.000 -0.000 -3.879) 3.879 4.413 ( 0.000 -0.000 -3.879) 3.879 5.266 ( 0.000 -0.000 -22.005) 22.005 5.266 ( 0.000 -0.000 -22.005) 22.005 5.758 ( 0.000 -0.000 -8.717) 8.717 6.847 ( 0.000 -0.000 -14.055) 14.055 6.847 ( 0.000 -0.000 -14.055) 14.055 7.799 ( -0.000 0.000 9.394) 9.394 7.799 ( -0.000 0.000 9.394) 9.394 7.998 ( 0.000 -0.000 -4.673) 4.673 8.387 ( -0.000 0.000 13.769) 13.769 8.387 ( -0.000 0.000 13.769) 13.769 9.126 ( 0.000 -0.000 -10.280) 10.280 11.405 ( -0.000 0.000 0.845) 0.845 11.405 ( -0.000 0.000 0.845) 0.845 11.587 ( -0.000 0.000 14.929) 14.929 13.007 ( 0.000 -0.000 -4.773) 4.773 13.821 ( 0.000 -0.000 -2.574) 2.574 15.135 ( 0.000 -0.000 -5.489) 5.489 15.383 ( 0.000 -0.000 -7.214) 7.214 15.383 ( 0.000 -0.000 -7.214) 7.214 15.579 ( 0.000 -0.000 -0.166) 0.166 15.579 ( -0.000 -0.000 -0.166) 0.166 16.295 ( -0.000 0.000 1.869) 1.869 16.476 ( 0.000 -0.000 -1.311) 1.311 16.476 ( 0.000 -0.000 -1.311) 1.311 16.647 ( -0.000 0.000 1.813) 1.813 16.647 ( -0.000 0.000 1.813) 1.813 17.338 ( 0.000 -0.000 -4.566) 4.566 17.338 ( 0.000 -0.000 -4.566) 4.566 17.419 ( -0.000 0.000 3.601) 3.601 17.971 ( -0.000 0.000 10.205) 10.205 17.971 ( -0.000 0.000 10.205) 10.205 18.386 ( -0.000 0.000 0.768) 0.768 19.480 ( -0.000 0.000 2.426) 2.426 ======================= Grid point 230 (74/116) ======================= q-point: ( 0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( 32.830 18.955 13.203) 40.143 1.313 ( 26.216 15.136 14.177) 33.427 2.045 ( 8.075 4.662 33.112) 34.400 3.863 ( 0.591 0.341 -2.315) 2.414 4.324 ( -6.107 -3.526 -3.908) 8.063 4.376 ( -1.340 -0.774 -2.961) 3.341 5.092 ( 2.910 1.680 -21.824) 22.081 5.304 ( 12.097 6.984 -22.997) 26.907 5.683 ( -1.034 -0.597 -8.282) 8.368 6.735 ( -0.770 -0.445 -12.496) 12.527 6.775 ( -0.738 -0.426 -13.039) 13.067 7.643 ( -21.265 -12.278 4.606) 24.983 7.796 ( -7.021 -4.054 9.174) 12.243 7.894 ( 0.502 0.290 8.797) 8.817 8.518 ( 2.757 1.592 9.445) 9.967 8.527 ( 5.439 3.140 12.247) 13.764 8.961 ( -7.830 -4.521 -6.032) 10.869 11.346 ( -6.005 -3.467 0.765) 6.976 11.428 ( 0.371 0.214 0.776) 0.886 11.644 ( -2.227 -1.286 14.826) 15.047 12.860 ( -7.918 -4.572 -2.359) 9.443 13.890 ( 8.029 4.636 -2.833) 9.695 15.100 ( 0.297 0.171 -5.446) 5.457 15.363 ( 1.009 0.582 -7.483) 7.573 15.390 ( 3.194 1.844 -7.117) 8.016 15.574 ( 0.703 0.406 0.084) 0.816 15.647 ( 5.169 2.984 -1.985) 6.290 16.292 ( -1.379 -0.796 1.887) 2.469 16.444 ( -1.490 -0.860 -1.092) 2.038 16.621 ( 11.004 6.353 -6.146) 14.115 16.643 ( -0.189 -0.109 1.393) 1.410 16.753 ( 7.393 4.268 -0.541) 8.554 17.292 ( -0.370 -0.214 -3.642) 3.667 17.324 ( -1.480 -0.854 -0.606) 1.813 17.440 ( 1.269 0.733 -0.315) 1.499 18.005 ( -1.665 -0.961 10.388) 10.564 18.052 ( 0.047 0.027 9.377) 9.377 18.396 ( 0.340 0.196 0.247) 0.464 19.357 ( -11.780 -6.801 4.650) 14.376 ======================= Grid point 231 (75/116) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( 18.321 10.577 18.335) 27.995 1.971 ( 26.435 15.262 9.639) 32.010 2.604 ( 31.508 18.191 14.603) 39.204 3.848 ( 0.582 0.336 -4.766) 4.814 4.094 ( -13.404 -7.739 -2.881) 15.743 4.303 ( -3.540 -2.044 -2.452) 4.767 5.147 ( 13.447 7.764 -15.055) 21.627 5.440 ( 13.352 7.709 -21.232) 26.239 5.636 ( 2.210 1.276 -7.758) 8.167 6.639 ( -4.196 -2.422 -12.357) 13.273 6.649 ( -0.055 -0.032 -8.926) 8.926 7.258 ( -17.383 -10.036 6.571) 21.120 7.666 ( -11.768 -6.794 10.077) 16.918 7.915 ( -3.523 -2.034 6.949) 8.052 8.604 ( -0.643 -0.371 6.268) 6.312 8.756 ( -6.904 -3.986 -3.468) 8.693 8.787 ( 11.816 6.822 9.847) 16.826 11.160 ( -11.674 -6.740 0.393) 13.485 11.412 ( -2.778 -1.604 2.786) 4.249 11.719 ( 1.272 0.734 10.580) 10.681 12.687 ( -6.955 -4.015 -2.132) 8.309 14.116 ( 14.467 8.353 -3.152) 17.000 15.082 ( 1.314 0.759 -4.853) 5.085 15.334 ( 0.892 0.515 -7.094) 7.168 15.410 ( 2.536 1.464 -4.227) 5.143 15.602 ( 1.462 0.844 0.493) 1.758 15.744 ( 5.014 2.895 -2.283) 6.224 16.260 ( -2.821 -1.629 1.879) 3.761 16.407 ( -1.186 -0.685 -0.940) 1.661 16.655 ( 0.487 0.281 1.565) 1.663 16.796 ( 9.217 5.321 -5.598) 12.025 16.880 ( 3.550 2.050 -3.794) 5.586 17.262 ( -3.625 -2.093 1.955) 4.620 17.275 ( 0.726 0.419 -2.603) 2.735 17.488 ( 4.394 2.537 -3.625) 6.236 18.039 ( -1.452 -0.838 10.279) 10.415 18.092 ( -1.580 -0.912 7.761) 7.972 18.392 ( -0.651 -0.376 -0.870) 1.150 19.091 ( -15.448 -8.919 5.482) 18.661 ======================= Grid point 232 (76/116) ======================= q-point: ( 0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.334 ( 9.387 5.419 16.183) 19.477 2.505 ( 17.749 10.247 3.288) 20.756 3.464 ( 38.142 22.021 2.120) 44.094 3.730 ( -16.918 -9.768 -0.461) 19.541 3.853 ( 3.441 1.987 -4.566) 6.053 4.230 ( -1.722 -0.994 0.568) 2.068 5.428 ( 18.805 10.857 -8.355) 23.266 5.573 ( 8.828 5.097 -10.509) 14.640 5.688 ( 8.286 4.784 -11.209) 14.737 6.435 ( -7.301 -4.215 -11.717) 14.434 6.643 ( 3.853 2.224 -5.827) 7.331 6.938 ( -17.507 -10.108 5.630) 20.985 7.443 ( -13.913 -8.033 9.874) 18.857 7.844 ( -6.205 -3.582 4.371) 8.393 8.486 ( -8.204 -4.737 -2.869) 9.898 8.722 ( 0.553 0.319 3.957) 4.008 9.143 ( 15.626 9.022 7.278) 19.456 10.858 ( -16.275 -9.396 -0.219) 18.794 11.357 ( -4.028 -2.325 3.193) 5.641 11.824 ( 2.798 1.615 7.081) 7.783 12.531 ( -6.221 -3.592 -2.124) 7.491 14.445 ( 17.631 10.179 -3.399) 20.641 15.098 ( 2.873 1.659 -3.864) 5.093 15.311 ( 1.216 0.702 -6.465) 6.616 15.450 ( 2.965 1.712 -1.683) 3.814 15.634 ( 0.847 0.489 1.276) 1.608 15.832 ( 4.496 2.596 -1.781) 5.489 16.198 ( -3.769 -2.176 1.484) 4.598 16.385 ( -0.313 -0.181 -0.926) 0.994 16.687 ( 1.225 0.707 2.573) 2.936 16.797 ( -9.528 -5.501 0.494) 11.013 16.942 ( 7.950 4.590 -7.792) 12.041 17.246 ( 1.796 1.037 -1.773) 2.728 17.288 ( 1.639 0.946 -1.515) 2.424 17.575 ( 5.183 2.992 -1.757) 6.237 18.081 ( -0.612 -0.353 9.740) 9.766 18.084 ( -3.278 -1.892 5.548) 6.716 18.355 ( -1.913 -1.105 -1.945) 2.944 18.791 ( -15.225 -8.790 4.804) 18.224 ======================= Grid point 233 (77/116) ======================= q-point: ( 0.60 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.583 ( 5.077 2.931 6.153) 8.499 2.720 ( 3.082 1.779 -5.809) 6.813 3.292 ( -16.660 -9.619 0.730) 19.251 3.942 ( 5.598 3.232 -0.567) 6.489 4.272 ( 3.930 2.269 6.062) 7.573 4.294 ( 32.155 18.565 -0.258) 37.131 5.688 ( 6.776 3.912 -5.354) 9.481 5.802 ( 19.147 11.054 -4.226) 22.509 5.830 ( 10.800 6.236 -8.078) 14.859 6.187 ( -8.022 -4.631 -11.617) 14.858 6.458 ( -23.491 -13.563 4.831) 27.552 6.808 ( 7.010 4.047 -3.244) 8.720 7.257 ( -8.751 -5.053 10.194) 14.353 7.722 ( -6.619 -3.822 1.637) 7.816 8.303 ( -6.211 -3.586 -4.243) 8.333 8.747 ( -0.889 -0.513 3.267) 3.425 9.517 ( 14.029 8.100 5.526) 17.116 10.485 ( -16.850 -9.728 -1.137) 19.490 11.288 ( -4.032 -2.328 2.623) 5.344 11.919 ( 2.080 1.201 4.374) 4.990 12.402 ( -4.245 -2.451 -1.396) 5.097 14.790 ( 15.590 9.001 -3.522) 18.343 15.152 ( 4.115 2.376 -2.758) 5.494 15.301 ( 1.575 0.909 -5.820) 6.097 15.504 ( 2.122 1.225 0.387) 2.481 15.652 ( -0.164 -0.095 2.193) 2.201 15.918 ( 4.736 2.734 -1.418) 5.649 16.128 ( -3.279 -1.893 0.633) 3.839 16.380 ( 0.438 0.253 -0.921) 1.050 16.543 ( -13.241 -7.644 1.838) 15.399 16.739 ( 1.426 0.823 4.107) 4.425 17.015 ( 3.877 2.238 -10.417) 11.338 17.280 ( 2.747 1.586 -3.554) 4.764 17.323 ( 2.269 1.310 -0.458) 2.659 17.666 ( 2.359 1.362 2.091) 3.434 18.026 ( -4.731 -2.732 3.081) 6.272 18.157 ( 2.502 1.444 8.958) 9.412 18.294 ( -2.075 -1.198 -2.401) 3.392 18.525 ( -11.665 -6.735 3.276) 13.862 ======================= Grid point 234 (78/116) ======================= q-point: (-0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.452 ( -17.542 -10.128 -2.459) 20.405 2.605 ( -7.692 -4.441 -10.261) 13.571 3.215 ( 7.113 4.107 5.752) 10.027 4.053 ( 4.068 2.348 2.691) 5.413 4.424 ( 3.746 2.163 7.619) 8.761 4.721 ( 3.672 2.120 -2.147) 4.753 5.774 ( 4.025 2.324 -9.111) 10.228 5.933 ( -7.154 -4.130 -4.182) 9.259 5.992 ( 0.311 0.179 -0.483) 0.602 6.074 ( -2.949 -1.703 4.731) 5.829 6.205 ( 19.346 11.170 -9.423) 24.245 6.937 ( 5.014 2.895 0.675) 5.829 7.243 ( 2.011 1.161 9.086) 9.378 7.598 ( -5.057 -2.920 -0.218) 5.844 8.177 ( -2.693 -1.555 -4.602) 5.554 8.722 ( -3.036 -1.753 2.066) 4.069 9.649 ( -10.298 -5.945 4.624) 12.758 10.289 ( 4.944 2.855 -1.620) 5.934 11.226 ( -3.052 -1.762 2.334) 4.227 11.943 ( -2.092 -1.208 1.422) 2.803 12.358 ( 0.927 0.535 0.338) 1.123 15.004 ( 4.759 2.748 -3.380) 6.452 15.226 ( 3.886 2.243 -1.915) 4.878 15.298 ( 1.454 0.839 -5.315) 5.574 15.527 ( -0.643 -0.371 1.500) 1.673 15.667 ( 0.384 0.222 2.775) 2.810 16.010 ( 3.548 2.048 -1.172) 4.261 16.071 ( -2.068 -1.194 -0.275) 2.404 16.339 ( -4.262 -2.460 2.048) 5.330 16.391 ( 1.049 0.606 -0.862) 1.487 16.793 ( 0.483 0.279 5.435) 5.464 16.964 ( -1.094 -0.632 -12.792) 12.855 17.313 ( 1.996 1.153 -2.799) 3.626 17.378 ( 2.838 1.639 0.556) 3.324 17.687 ( -1.939 -1.119 4.824) 5.318 17.927 ( -5.577 -3.220 0.894) 6.502 18.221 ( -4.880 -2.817 3.463) 6.614 18.328 ( 7.982 4.608 3.480) 9.852 18.355 ( -4.241 -2.448 -0.027) 4.897 ======================= Grid point 235 (79/116) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.001 ( -22.138 -12.782 2.742) 25.710 2.291 ( -15.069 -8.700 -9.563) 19.854 3.480 ( 12.461 7.194 1.844) 14.506 4.152 ( 2.737 1.580 4.415) 5.429 4.364 ( -31.397 -18.127 1.582) 36.289 4.464 ( -3.565 -2.058 3.319) 5.287 5.768 ( 3.281 1.894 -8.360) 9.178 5.801 ( -2.519 -1.455 -3.275) 4.380 6.091 ( 5.543 3.200 2.682) 6.939 6.136 ( 4.743 2.738 -5.041) 7.443 6.539 ( 16.940 9.780 -9.992) 21.965 7.087 ( 7.167 4.138 6.647) 10.614 7.409 ( 7.204 4.159 5.851) 10.170 7.517 ( -2.148 -1.240 0.103) 2.482 8.128 ( 0.297 0.172 -2.991) 3.010 8.663 ( -2.743 -1.584 1.713) 3.601 9.266 ( -23.156 -13.369 4.200) 27.066 10.556 ( 15.985 9.229 -0.565) 18.467 11.195 ( -1.393 -0.804 2.874) 3.294 11.859 ( -5.361 -3.095 -0.333) 6.199 12.433 ( 4.855 2.803 1.256) 5.746 14.900 ( -11.722 -6.768 -2.832) 13.828 15.271 ( 0.280 0.162 -1.476) 1.511 15.300 ( 3.018 1.742 -5.412) 6.437 15.530 ( 0.458 0.264 1.489) 1.580 15.709 ( 1.373 0.793 2.757) 3.180 16.008 ( -2.145 -1.238 -0.621) 2.553 16.043 ( 0.043 0.025 -0.691) 0.693 16.412 ( 1.413 0.816 -0.810) 1.821 16.441 ( 10.098 5.830 0.694) 11.681 16.821 ( -1.518 -0.876 5.766) 6.026 16.835 ( -2.348 -1.356 -11.321) 11.641 17.314 ( -0.369 -0.213 -2.859) 2.891 17.451 ( 3.352 1.935 1.249) 4.067 17.684 ( -1.059 -0.611 5.786) 5.914 17.809 ( -5.450 -3.146 -0.041) 6.293 18.103 ( -6.710 -3.874 1.018) 7.815 18.319 ( 0.212 0.122 0.632) 0.678 18.556 ( 10.135 5.852 2.815) 12.037 ======================= Grid point 240 (80/116) ======================= q-point: ( 0.30 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( -0.000 15.520 16.396) 22.576 1.582 ( 0.000 40.186 13.802) 42.490 2.257 ( -0.000 6.838 30.046) 30.815 3.869 ( 0.000 3.268 -2.258) 3.972 4.301 ( -0.000 -7.109 -2.649) 7.587 4.360 ( 0.000 0.536 -4.197) 4.231 4.972 ( 0.000 6.817 -23.959) 24.910 5.112 ( 0.000 9.642 -21.373) 23.447 5.624 ( 0.000 -1.667 -8.074) 8.244 6.617 ( 0.000 -4.740 -10.535) 11.553 6.741 ( 0.000 3.566 -12.069) 12.585 7.686 ( -0.000 -19.707 0.381) 19.710 7.877 ( -0.000 -3.516 9.623) 10.245 7.926 ( -0.000 -3.146 8.923) 9.462 8.573 ( -0.000 1.303 9.241) 9.332 8.586 ( -0.000 5.458 9.387) 10.859 8.922 ( 0.000 -7.205 -6.525) 9.720 11.357 ( -0.000 -6.729 1.049) 6.810 11.432 ( 0.000 1.056 0.488) 1.163 11.743 ( -0.000 -3.879 15.571) 16.047 12.842 ( -0.000 -7.773 -3.686) 8.603 13.871 ( 0.000 9.066 -2.807) 9.491 15.065 ( 0.000 0.443 -5.359) 5.377 15.254 ( 0.000 -1.893 -6.370) 6.645 15.423 ( 0.000 10.398 -9.141) 13.845 15.573 ( 0.000 0.407 -0.008) 0.407 15.618 ( 0.000 3.135 -0.478) 3.172 16.298 ( -0.000 -2.433 1.845) 3.053 16.453 ( 0.000 -0.977 -1.395) 1.703 16.498 ( 0.000 1.432 -2.353) 2.754 16.716 ( 0.000 3.827 0.821) 3.914 16.740 ( 0.000 9.746 -1.644) 9.884 17.274 ( 0.000 -0.880 -1.380) 1.637 17.319 ( 0.000 2.157 -3.654) 4.243 17.448 ( -0.000 -0.708 1.588) 1.738 18.063 ( -0.000 -2.751 9.625) 10.011 18.120 ( -0.000 0.706 9.098) 9.126 18.395 ( -0.000 -0.290 0.255) 0.386 19.395 ( -0.000 -11.393 3.955) 12.060 ======================= Grid point 241 (81/116) ======================= q-point: ( 0.40 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 30.711 15.842 12.689) 36.812 2.082 ( 6.841 27.329 15.604) 32.205 2.574 ( 8.292 17.192 16.480) 25.217 3.873 ( -1.933 5.942 -4.365) 7.622 4.157 ( -5.859 -9.696 -1.902) 11.488 4.317 ( -2.986 -0.971 -3.327) 4.574 4.961 ( 6.810 12.467 -17.189) 22.299 5.182 ( 11.290 11.932 -20.456) 26.235 5.567 ( 1.033 -0.781 -6.862) 6.983 6.510 ( 0.453 -6.093 -8.898) 10.793 6.667 ( -2.824 2.141 -10.150) 10.751 7.425 ( -11.140 -13.399 3.173) 17.712 7.826 ( -7.586 -6.836 9.342) 13.840 7.948 ( -0.043 -6.389 6.706) 9.262 8.631 ( 0.141 -2.572 5.575) 6.141 8.758 ( 3.499 4.726 4.365) 7.324 8.790 ( -0.869 -0.547 -0.273) 1.062 11.233 ( -6.375 -9.917 0.788) 11.816 11.439 ( -0.652 -0.451 0.985) 1.264 11.796 ( -0.836 -2.387 13.469) 13.704 12.713 ( -4.151 -6.092 -3.369) 8.105 14.016 ( 7.496 12.675 -2.867) 15.002 15.043 ( 0.727 1.090 -4.718) 4.897 15.227 ( 3.082 -1.971 -5.583) 6.675 15.435 ( -1.969 8.288 -6.885) 10.953 15.591 ( 1.149 1.082 0.681) 1.719 15.687 ( 4.235 4.040 -1.781) 6.118 16.277 ( -0.785 -3.454 1.819) 3.982 16.412 ( -1.468 -1.288 -0.880) 2.142 16.561 ( 6.715 -1.508 -2.147) 7.210 16.756 ( 0.722 6.432 -1.244) 6.591 16.846 ( 2.841 6.422 -2.565) 7.476 17.253 ( -0.665 -1.627 0.602) 1.857 17.316 ( -0.942 1.078 -1.415) 2.013 17.453 ( 0.958 2.615 -1.873) 3.356 18.093 ( -0.289 -3.266 8.918) 9.502 18.170 ( -1.401 0.164 7.623) 7.752 18.387 ( -0.277 -1.277 -0.388) 1.363 19.229 ( -9.090 -12.627 4.475) 16.190 ======================= Grid point 242 (82/116) ======================= q-point: ( 0.50 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.309 ( 18.470 9.692 13.524) 24.859 2.481 ( 10.360 19.957 10.311) 24.737 3.058 ( 23.228 14.849 1.076) 27.590 3.838 ( -6.973 -5.970 -2.625) 9.548 3.972 ( -7.040 11.088 -2.249) 13.325 4.232 ( -0.913 -2.582 -1.557) 3.150 5.185 ( 15.753 12.585 -9.120) 22.130 5.383 ( 12.466 12.344 -14.229) 22.589 5.569 ( 4.510 2.071 -6.695) 8.334 6.373 ( -2.797 -8.568 -8.422) 12.335 6.609 ( 0.631 3.739 -6.015) 7.110 7.155 ( -14.071 -7.548 3.736) 16.399 7.643 ( -12.569 -9.187 8.742) 17.854 7.882 ( -2.705 -9.583 3.372) 10.513 8.517 ( -5.931 -8.930 -2.563) 11.022 8.754 ( 0.014 1.953 3.465) 3.977 9.059 ( 11.550 11.247 6.078) 17.229 10.985 ( -11.792 -12.585 0.334) 17.250 11.409 ( -2.770 -2.016 1.895) 3.916 11.860 ( 0.822 -0.081 9.417) 9.453 12.566 ( -5.085 -4.847 -3.034) 7.652 14.293 ( 12.857 14.618 -2.902) 19.683 15.052 ( 2.054 2.253 -3.676) 4.776 15.232 ( 3.252 -0.735 -5.128) 6.117 15.444 ( -0.248 5.442 -3.576) 6.517 15.630 ( 1.312 1.007 1.446) 2.197 15.782 ( 4.167 4.207 -2.071) 6.273 16.229 ( -2.252 -3.940 1.481) 4.774 16.378 ( -0.584 -1.342 -0.597) 1.581 16.633 ( 5.699 -2.180 -0.460) 6.119 16.840 ( 3.420 5.542 -3.922) 7.602 16.854 ( -3.161 -3.083 -0.712) 4.473 17.238 ( -0.125 -0.028 0.722) 0.733 17.303 ( -1.118 3.563 -1.978) 4.226 17.523 ( 4.445 5.235 -1.781) 7.094 18.109 ( -0.453 -3.938 7.264) 8.275 18.178 ( -2.645 -0.407 5.575) 6.184 18.355 ( -1.285 -2.034 -0.677) 2.499 18.960 ( -12.992 -11.848 4.296) 18.100 ======================= Grid point 243 (83/116) ======================= q-point: ( 0.60 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.582 ( 4.850 3.346 8.422) 10.279 2.824 ( -3.589 24.383 -4.069) 24.979 3.419 ( -2.720 -9.970 -1.358) 10.423 3.670 ( 18.823 -4.198 4.049) 19.706 4.074 ( 3.326 6.589 -1.090) 7.461 4.350 ( 9.000 18.234 1.521) 20.391 5.514 ( 15.326 4.709 -5.128) 16.833 5.561 ( 10.136 4.653 -5.886) 12.611 5.698 ( 10.321 11.211 -8.122) 17.268 6.172 ( -5.290 -7.006 -5.840) 10.545 6.683 ( 3.605 8.383 -4.033) 9.977 6.840 ( -19.159 -7.843 4.015) 21.088 7.419 ( -10.721 -6.987 7.830) 15.002 7.748 ( -3.215 -10.352 0.276) 10.844 8.319 ( -5.985 -7.823 -3.314) 10.393 8.789 ( -0.910 1.262 3.199) 3.557 9.408 ( 13.844 11.130 4.418) 18.304 10.638 ( -15.537 -13.807 -0.246) 20.787 11.345 ( -3.838 -2.668 2.158) 5.148 11.938 ( 1.529 1.526 5.508) 5.916 12.427 ( -4.396 -4.429 -2.079) 6.577 14.634 ( 14.296 14.240 -2.901) 20.386 15.104 ( 3.387 3.692 -2.551) 5.622 15.246 ( 2.297 1.336 -5.077) 5.730 15.482 ( 1.901 2.489 -0.645) 3.198 15.663 ( 0.465 0.024 2.292) 2.339 15.871 ( 3.780 4.056 -1.838) 5.841 16.156 ( -2.956 -3.845 0.683) 4.897 16.361 ( 0.427 -1.339 -0.611) 1.533 16.657 ( -9.385 -10.472 1.607) 14.153 16.711 ( 4.143 -0.665 0.281) 4.206 16.919 ( 3.069 3.347 -5.109) 6.836 17.255 ( 0.667 2.858 -2.408) 3.796 17.326 ( 0.704 4.185 -0.888) 4.336 17.649 ( 4.511 5.170 1.171) 6.961 18.084 ( -3.096 -3.903 3.708) 6.211 18.171 ( 0.315 -1.348 2.544) 2.896 18.310 ( -1.966 -1.742 1.669) 3.112 18.674 ( -12.695 -9.710 3.416) 16.344 ======================= Grid point 244 (84/116) ======================= q-point: (-0.30 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.605 ( -9.518 -1.503 -1.692) 9.783 2.799 ( -15.737 16.997 -9.200) 24.924 3.208 ( -2.226 -4.698 5.585) 7.630 4.006 ( 8.558 2.758 3.991) 9.837 4.252 ( 18.063 -6.219 5.164) 19.790 4.714 ( 8.673 18.921 -1.381) 20.859 5.547 ( 6.253 -15.516 -7.605) 18.376 5.750 ( 6.684 -0.773 -0.904) 6.789 5.937 ( 13.089 9.603 -13.137) 20.884 6.130 ( 1.017 10.221 3.040) 10.712 6.416 ( -23.628 -0.698 5.053) 24.172 6.863 ( 7.763 6.688 -2.658) 10.586 7.313 ( -3.124 -1.554 7.174) 7.977 7.612 ( -2.261 -7.564 -1.677) 8.071 8.151 ( -3.167 -7.016 -3.116) 8.304 8.780 ( -3.183 0.107 2.159) 3.848 9.708 ( 5.637 4.770 4.396) 8.594 10.287 ( -9.125 -8.922 -1.497) 12.849 11.275 ( -3.410 -2.497 2.291) 4.808 11.986 ( -1.422 1.743 1.589) 2.754 12.339 ( -0.193 -3.468 0.111) 3.475 14.932 ( 9.084 10.525 -3.044) 14.233 15.186 ( 3.411 4.623 -1.832) 6.030 15.263 ( 1.363 2.961 -4.815) 5.815 15.523 ( 0.962 -0.557 1.111) 1.572 15.678 ( 0.228 -0.878 2.832) 2.973 15.961 ( 4.412 3.984 -1.686) 6.179 16.080 ( -2.157 -3.722 -0.097) 4.303 16.356 ( 0.847 -2.140 -0.604) 2.380 16.408 ( -8.104 -8.613 1.622) 11.937 16.789 ( 4.172 0.366 0.334) 4.202 16.916 ( -1.593 1.509 -5.919) 6.312 17.278 ( 1.369 1.444 -1.420) 2.444 17.385 ( 1.418 4.663 0.260) 4.880 17.735 ( -0.576 1.522 3.731) 4.071 17.995 ( -5.289 -3.185 1.121) 6.275 18.200 ( 4.035 -0.246 -5.182) 6.572 18.311 ( 1.075 -0.974 8.506) 8.629 18.436 ( -9.127 -6.396 1.616) 11.261 ======================= Grid point 245 (85/116) ======================= q-point: (-0.20 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.287 ( -21.386 -5.759 2.355) 22.273 2.565 ( -22.391 13.758 -8.663) 27.671 3.342 ( 11.888 2.503 2.967) 12.506 4.123 ( 3.215 -1.000 4.431) 5.565 4.386 ( 0.930 -12.212 2.454) 12.490 4.774 ( -16.427 4.651 0.099) 17.073 5.488 ( 13.743 -14.569 -4.843) 20.605 5.793 ( 0.395 1.353 -6.512) 6.663 6.090 ( 2.062 0.883 2.992) 3.740 6.109 ( 1.670 4.992 -7.136) 8.867 6.426 ( 2.976 17.308 -1.668) 17.641 7.032 ( 7.876 3.242 3.245) 9.115 7.373 ( 4.466 1.290 2.842) 5.448 7.533 ( -0.843 -0.655 -1.501) 1.842 8.069 ( 2.231 -4.814 -0.913) 5.384 8.724 ( -4.514 -0.676 1.796) 4.905 9.543 ( -20.595 -10.247 4.616) 23.462 10.360 ( 15.635 5.468 -1.278) 16.613 11.229 ( -1.817 -1.766 2.969) 3.903 11.931 ( -5.907 -0.266 -0.966) 5.991 12.372 ( 5.233 -0.750 1.725) 5.561 15.009 ( -6.129 2.615 -3.584) 7.566 15.257 ( 1.944 3.609 -1.833) 4.490 15.275 ( -0.715 3.711 -4.624) 5.972 15.516 ( 0.795 -3.005 1.981) 3.686 15.701 ( 1.247 -0.964 2.682) 3.111 16.017 ( -0.347 -0.449 -1.004) 1.153 16.039 ( 0.127 -0.158 -1.132) 1.150 16.330 ( 6.468 -1.253 1.994) 6.884 16.371 ( 2.170 -1.379 -1.144) 2.814 16.798 ( -1.661 1.306 -10.184) 10.401 16.881 ( -1.333 0.756 4.882) 5.117 17.301 ( 0.681 0.025 0.005) 0.681 17.452 ( 1.174 4.143 0.616) 4.350 17.728 ( -2.282 -1.809 4.738) 5.561 17.884 ( -5.819 -1.663 0.285) 6.059 18.163 ( -4.089 -3.812 -1.306) 5.741 18.316 ( -0.971 -0.795 -1.113) 1.678 18.454 ( 9.205 1.223 5.183) 10.634 ======================= Grid point 251 (86/116) ======================= q-point: ( 0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( 0.000 18.125 13.748) 22.749 2.361 ( -0.000 13.584 19.771) 23.988 2.815 ( 0.000 32.234 5.649) 32.725 3.926 ( 0.000 8.387 -5.512) 10.036 4.065 ( -0.000 -14.215 -2.709) 14.471 4.347 ( 0.000 2.389 -1.477) 2.809 4.959 ( 0.000 20.163 -14.949) 25.100 5.071 ( 0.000 12.914 -16.174) 20.697 5.505 ( 0.000 -1.149 -5.526) 5.644 6.399 ( 0.000 -6.336 -6.793) 9.289 6.635 ( 0.000 -0.186 -8.676) 8.678 7.403 ( -0.000 -11.583 1.166) 11.641 7.891 ( -0.000 -7.661 7.661) 10.834 7.893 ( -0.000 -11.931 5.767) 13.251 8.604 ( -0.000 -9.093 1.095) 9.158 8.775 ( -0.000 -0.022 0.482) 0.482 8.857 ( 0.000 12.887 6.182) 14.294 11.182 ( -0.000 -13.352 0.692) 13.370 11.446 ( -0.000 -0.367 0.573) 0.680 11.861 ( -0.000 -3.579 12.562) 13.061 12.664 ( -0.000 -6.024 -3.840) 7.144 14.072 ( 0.000 16.038 -2.597) 16.247 15.019 ( 0.000 1.463 -4.025) 4.282 15.157 ( 0.000 -0.812 -4.171) 4.249 15.490 ( 0.000 8.908 -8.108) 12.045 15.603 ( 0.000 2.428 1.268) 2.739 15.676 ( 0.000 3.786 -0.785) 3.867 16.254 ( -0.000 -4.827 1.921) 5.195 16.411 ( 0.000 -1.458 -1.240) 1.914 16.485 ( 0.000 -0.174 -0.270) 0.321 16.802 ( 0.000 5.266 -0.898) 5.342 16.868 ( 0.000 5.286 -2.462) 5.831 17.253 ( -0.000 -2.372 2.623) 3.536 17.319 ( 0.000 2.524 -2.978) 3.904 17.463 ( 0.000 3.821 -2.142) 4.380 18.115 ( -0.000 -4.174 7.847) 8.888 18.224 ( -0.000 -0.820 5.561) 5.621 18.375 ( -0.000 -1.770 0.410) 1.817 19.199 ( -0.000 -14.655 3.372) 15.038 ======================= Grid point 252 (87/116) ======================= q-point: ( 0.50 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( 26.014 13.925 12.002) 31.854 2.566 ( 3.582 2.029 15.971) 16.493 3.159 ( -2.266 36.069 -2.980) 36.263 3.843 ( -5.060 -10.547 -2.717) 12.009 4.061 ( 7.385 9.696 -4.591) 13.024 4.287 ( -9.049 2.909 -1.983) 9.710 5.087 ( 5.534 16.811 -7.545) 19.239 5.248 ( 11.239 17.856 -10.547) 23.588 5.485 ( 2.498 0.377 -4.328) 5.011 6.288 ( -1.578 -7.368 -5.486) 9.320 6.583 ( 0.648 0.452 -4.961) 5.023 7.267 ( -6.237 -6.934 0.256) 9.329 7.759 ( -5.370 -13.090 6.038) 15.384 7.819 ( -2.969 -12.703 3.390) 13.478 8.482 ( -2.886 -10.604 -1.567) 11.101 8.796 ( -0.056 1.963 2.653) 3.300 9.075 ( 5.745 15.112 4.794) 16.863 10.999 ( -6.017 -16.050 0.277) 17.144 11.433 ( -1.251 -1.573 0.731) 2.139 11.905 ( 0.239 -2.276 9.539) 9.809 12.563 ( -2.899 -4.955 -3.594) 6.773 14.270 ( 6.584 17.794 -2.305) 19.113 15.024 ( 1.418 2.369 -2.906) 4.008 15.151 ( 2.429 -0.021 -3.101) 3.940 15.495 ( -2.046 6.756 -5.479) 8.936 15.642 ( 0.248 2.563 1.885) 3.191 15.745 ( 3.945 4.440 -1.691) 6.176 16.217 ( -0.449 -5.315 1.764) 5.618 16.376 ( -1.248 -1.596 -0.399) 2.065 16.526 ( 4.350 -0.442 0.146) 4.374 16.847 ( 0.699 5.236 -1.330) 5.448 16.860 ( -1.968 -3.474 -1.292) 4.197 17.251 ( -0.347 0.587 1.057) 1.258 17.329 ( 0.172 2.978 -2.358) 3.802 17.513 ( 2.239 6.980 -1.780) 7.544 18.119 ( -0.246 -4.839 6.413) 8.037 18.221 ( -1.284 -3.064 2.031) 3.894 18.361 ( -1.015 -1.052 1.933) 2.423 19.022 ( -6.802 -14.413 2.467) 16.127 ======================= Grid point 253 (88/116) ======================= q-point: ( 0.60 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.579 ( 7.451 2.764 9.059) 12.051 2.938 ( 31.872 10.201 8.209) 34.457 3.280 ( -11.380 23.205 -8.709) 27.273 3.629 ( -7.813 -12.185 1.544) 14.556 4.132 ( -6.425 -0.870 -2.037) 6.796 4.362 ( 11.193 23.455 -3.176) 26.183 5.345 ( 10.888 10.184 -1.129) 14.951 5.435 ( 4.650 2.431 -4.618) 6.990 5.607 ( 9.192 12.186 -5.269) 16.148 6.159 ( -2.225 -2.923 -3.178) 4.857 6.634 ( 5.382 4.923 -2.334) 7.658 7.071 ( -11.973 -5.428 0.277) 13.149 7.565 ( -10.290 -9.109 5.997) 14.994 7.643 ( -1.175 -16.724 -0.843) 16.787 8.312 ( -5.072 -9.356 -1.865) 10.805 8.830 ( -0.062 1.426 2.329) 2.731 9.364 ( 9.131 14.947 3.272) 17.819 10.706 ( -10.753 -17.474 -0.132) 20.518 11.385 ( -2.805 -2.707 0.980) 4.020 11.959 ( 1.564 0.044 5.794) 6.001 12.439 ( -4.280 -4.624 -2.727) 6.865 14.563 ( 10.651 17.450 -1.976) 20.539 15.074 ( 3.100 4.095 -1.745) 5.425 15.186 ( 3.244 1.325 -2.657) 4.397 15.495 ( -0.798 4.275 -2.596) 5.065 15.675 ( -0.015 0.814 2.290) 2.431 15.841 ( 3.856 4.810 -1.720) 6.400 16.158 ( -1.919 -5.332 1.071) 5.767 16.343 ( -0.619 -1.884 -0.069) 1.984 16.603 ( 4.895 -1.062 0.699) 5.058 16.712 ( -6.575 -9.768 -0.388) 11.781 16.903 ( 1.449 3.732 -0.964) 4.118 17.265 ( 0.064 3.161 -2.035) 3.760 17.352 ( 0.365 4.375 -1.860) 4.768 17.641 ( 4.726 8.163 0.748) 9.462 18.099 ( -0.989 -5.161 4.176) 6.712 18.161 ( -1.754 -4.711 -0.753) 5.083 18.347 ( -1.858 -0.534 3.092) 3.647 18.772 ( -9.717 -12.475 1.552) 15.889 ======================= Grid point 254 (89/116) ======================= q-point: (-0.30 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.691 ( -0.026 3.314 0.780) 3.405 3.188 ( -10.281 8.869 -4.469) 14.295 3.317 ( -17.089 8.219 -0.936) 18.985 3.704 ( 34.866 1.915 7.306) 35.675 4.067 ( 0.629 -2.420 0.641) 2.582 4.736 ( 10.064 19.937 -1.786) 22.404 5.309 ( -1.837 -17.483 -3.924) 18.012 5.653 ( 8.816 5.465 2.053) 10.574 5.780 ( 7.973 9.035 -8.874) 14.965 6.231 ( 3.605 13.866 2.954) 14.628 6.708 ( -7.919 -7.618 -0.453) 10.997 6.852 ( -3.859 9.655 0.550) 10.413 7.384 ( -5.471 -6.219 1.546) 8.426 7.506 ( 1.783 -10.924 -0.338) 11.073 8.128 ( -5.335 -9.072 -1.572) 10.641 8.839 ( -1.742 0.576 1.464) 2.347 9.670 ( 9.846 12.219 2.484) 15.888 10.348 ( -12.566 -16.578 -0.643) 20.812 11.315 ( -3.149 -3.038 1.241) 4.548 12.026 ( 1.156 2.735 2.071) 3.621 12.316 ( -2.962 -5.490 -0.867) 6.298 14.876 ( 10.069 14.447 -1.766) 17.698 15.172 ( 3.788 6.180 -1.034) 7.322 15.237 ( 2.507 3.262 -2.813) 4.984 15.519 ( 0.855 2.405 -0.217) 2.561 15.680 ( -0.442 -2.214 2.341) 3.252 15.932 ( 3.169 4.768 -1.278) 5.866 16.073 ( -2.645 -5.929 0.173) 6.495 16.320 ( 0.227 -2.206 -0.371) 2.249 16.456 ( -8.484 -12.235 1.222) 14.939 16.712 ( 5.076 2.533 -1.583) 5.890 16.933 ( -0.382 1.431 -0.493) 1.561 17.279 ( 0.017 2.640 -1.912) 3.260 17.405 ( 1.716 4.823 -0.255) 5.125 17.786 ( 1.640 6.207 3.022) 7.096 18.040 ( -3.189 -4.276 1.430) 5.522 18.096 ( 1.856 -3.902 -3.628) 5.642 18.340 ( -0.695 -1.228 4.414) 4.634 18.522 ( -9.059 -9.413 0.701) 13.083 ======================= Grid point 255 (90/116) ======================= q-point: (-0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.590 ( -16.164 2.115 0.871) 16.326 3.083 ( -23.802 24.251 -6.710) 34.637 3.185 ( 8.250 -5.697 2.971) 10.457 4.089 ( 3.015 -1.708 1.856) 3.931 4.206 ( 14.242 -4.391 4.693) 15.625 4.972 ( 0.489 11.126 -1.033) 11.185 5.095 ( 7.902 -19.441 -3.391) 21.258 5.763 ( 1.902 3.311 -2.869) 4.776 5.964 ( 9.074 9.627 -8.432) 15.688 6.264 ( -14.583 -5.043 6.942) 16.920 6.583 ( 1.028 12.806 0.050) 12.848 6.970 ( 3.641 4.068 1.925) 5.789 7.295 ( 2.408 -7.845 -2.278) 8.516 7.521 ( 3.019 5.155 -1.672) 6.203 7.983 ( -0.275 -8.851 1.162) 8.931 8.803 ( -3.892 -0.053 1.121) 4.051 9.780 ( -13.009 -3.764 4.321) 14.216 10.157 ( 9.981 -1.335 -2.329) 10.336 11.256 ( -1.947 -2.629 1.908) 3.787 12.026 ( -5.438 2.668 -1.598) 6.265 12.279 ( 4.630 -4.343 1.956) 6.643 15.078 ( 1.564 9.091 -3.126) 9.740 15.264 ( 1.169 4.286 -0.556) 4.478 15.301 ( 2.085 7.102 -2.603) 7.846 15.512 ( -3.826 -2.041 0.729) 4.397 15.682 ( 1.888 -1.991 2.027) 3.411 15.979 ( 0.834 -7.160 0.389) 7.219 16.019 ( 2.538 4.243 -1.611) 5.200 16.267 ( -1.676 -6.287 1.442) 6.665 16.319 ( 1.123 -2.072 -0.809) 2.492 16.774 ( 0.726 3.163 -5.543) 6.423 16.931 ( -0.646 1.024 2.391) 2.680 17.298 ( 0.731 1.184 0.854) 1.632 17.479 ( 1.364 4.459 0.390) 4.680 17.803 ( -4.851 -0.411 4.398) 6.560 17.951 ( -4.267 -2.331 0.168) 4.865 18.111 ( 4.277 -1.033 -5.659) 7.168 18.337 ( -4.868 -4.539 -0.635) 6.686 18.377 ( 3.815 -2.435 5.664) 7.250 ======================= Grid point 262 (91/116) ======================= q-point: ( 0.50 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.064 ( -0.000 10.684 12.287) 16.282 2.618 ( -0.000 -3.587 11.534) 12.079 3.564 ( 0.000 42.432 -2.609) 42.512 3.745 ( -0.000 -15.384 -2.673) 15.614 4.023 ( 0.000 11.096 -8.221) 13.809 4.410 ( 0.000 5.364 -0.206) 5.367 5.181 ( 0.000 15.128 -6.110) 16.315 5.273 ( 0.000 24.075 -3.935) 24.394 5.449 ( 0.000 0.757 -1.666) 1.830 6.207 ( -0.000 -6.950 -3.574) 7.815 6.550 ( 0.000 0.371 -2.041) 2.075 7.232 ( -0.000 -8.434 -3.947) 9.312 7.641 ( -0.000 -18.628 2.798) 18.837 7.805 ( -0.000 -10.084 5.144) 11.321 8.397 ( -0.000 -10.272 -1.288) 10.352 8.822 ( -0.000 0.935 1.755) 1.988 9.217 ( 0.000 18.392 3.725) 18.765 10.883 ( -0.000 -19.110 -0.200) 19.111 11.430 ( -0.000 -1.911 -0.005) 1.911 11.935 ( -0.000 -2.788 7.733) 8.220 12.520 ( 0.000 -4.144 -3.569) 5.469 14.377 ( 0.000 19.134 -1.628) 19.203 15.018 ( 0.000 2.410 -1.545) 2.863 15.121 ( 0.000 1.123 -1.650) 1.996 15.538 ( 0.000 6.013 -5.394) 8.078 15.698 ( 0.000 5.090 2.052) 5.488 15.726 ( 0.000 2.794 -1.229) 3.053 16.180 ( -0.000 -5.468 1.862) 5.776 16.372 ( -0.000 -1.162 -0.714) 1.364 16.503 ( -0.000 -0.007 3.524) 3.524 16.820 ( -0.000 -8.547 -0.035) 8.547 16.878 ( 0.000 5.318 -2.661) 5.946 17.274 ( 0.000 2.785 -0.452) 2.822 17.333 ( 0.000 2.769 -2.470) 3.711 17.558 ( 0.000 8.742 -0.890) 8.787 18.111 ( -0.000 -5.605 5.203) 7.647 18.195 ( -0.000 -5.462 0.143) 5.464 18.385 ( -0.000 0.301 2.627) 2.645 18.946 ( -0.000 -15.180 0.515) 15.188 ======================= Grid point 263 (92/116) ======================= q-point: ( 0.60 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.426 ( 22.092 5.018 10.561) 24.995 2.673 ( 6.205 -3.392 5.922) 9.223 3.546 ( -5.426 -10.333 -4.632) 12.557 3.790 ( -11.091 29.549 -2.212) 31.639 4.164 ( 3.066 7.246 -5.008) 9.327 4.436 ( 0.753 15.324 -2.577) 15.558 5.341 ( 4.750 14.597 1.895) 15.467 5.413 ( -1.436 1.550 -0.014) 2.113 5.569 ( 6.920 14.707 -2.080) 16.386 6.131 ( 1.093 -1.975 -2.530) 3.390 6.597 ( 3.482 4.859 1.151) 6.087 7.074 ( -1.570 -13.571 -7.095) 15.394 7.498 ( -1.018 -14.049 2.700) 14.342 7.675 ( -7.892 -9.579 3.894) 13.008 8.278 ( -2.643 -8.986 -1.349) 9.463 8.841 ( 0.714 -0.072 0.953) 1.193 9.441 ( 3.394 18.687 2.311) 19.133 10.652 ( -4.994 -20.695 -0.586) 21.297 11.395 ( -1.392 -2.791 -0.423) 3.147 11.964 ( 1.230 -1.595 5.056) 5.442 12.441 ( -2.813 -3.435 -3.003) 5.360 14.590 ( 5.512 18.258 -0.871) 19.092 15.057 ( 2.445 3.431 -0.183) 4.217 15.146 ( 2.017 2.073 -0.698) 2.976 15.540 ( -1.772 4.470 -3.647) 6.035 15.714 ( -1.488 1.959 1.064) 2.680 15.812 ( 4.058 4.755 -0.259) 6.256 16.138 ( -0.772 -5.114 1.449) 5.371 16.347 ( -1.395 -1.199 0.135) 1.844 16.553 ( 2.408 -0.264 4.037) 4.708 16.694 ( -3.561 -11.767 0.370) 12.300 16.913 ( 0.829 4.118 -2.311) 4.795 17.285 ( -0.700 3.419 -2.665) 4.391 17.361 ( 1.460 3.626 -2.254) 4.512 17.667 ( 2.838 9.673 0.600) 10.098 18.083 ( -0.412 -6.049 3.522) 7.012 18.131 ( -1.226 -6.022 0.146) 6.147 18.392 ( -1.476 0.459 1.762) 2.344 18.767 ( -4.683 -13.879 -1.043) 14.685 ======================= Grid point 264 (93/116) ======================= q-point: (-0.30 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.673 ( 5.313 -0.007 2.369) 5.818 3.071 ( 30.559 -1.350 6.306) 31.232 3.334 ( -3.338 -11.826 -1.415) 12.369 3.828 ( -15.019 31.736 -5.156) 35.487 4.093 ( -5.441 0.107 -1.801) 5.733 4.732 ( 11.247 18.606 -1.613) 21.801 5.259 ( -10.933 -12.820 1.044) 16.881 5.615 ( 7.575 9.535 6.706) 13.903 5.718 ( 4.142 7.044 -3.804) 9.013 6.273 ( 9.202 14.165 -1.058) 16.925 6.690 ( -1.346 -4.321 1.137) 4.666 6.920 ( 4.243 -2.987 -5.646) 7.668 7.362 ( -5.517 -10.282 1.602) 11.778 7.491 ( -5.690 -4.465 3.005) 7.832 8.126 ( -5.313 -8.331 -1.328) 9.970 8.852 ( 0.645 -0.961 0.194) 1.173 9.687 ( 5.573 16.081 0.738) 17.035 10.347 ( -8.633 -19.921 -0.467) 21.716 11.332 ( -2.290 -3.298 -0.488) 4.045 12.019 ( 3.197 0.411 2.619) 4.153 12.329 ( -4.887 -3.523 -2.056) 6.366 14.858 ( 8.223 14.774 0.018) 16.908 15.159 ( 4.559 5.967 0.289) 7.515 15.209 ( 3.073 3.004 -0.164) 4.301 15.532 ( -0.337 2.581 -1.623) 3.067 15.698 ( -2.328 -0.835 0.693) 2.568 15.918 ( 3.615 4.810 -0.065) 6.017 16.068 ( -3.139 -5.420 0.593) 6.291 16.312 ( -1.475 -1.430 0.398) 2.093 16.464 ( -6.299 -12.807 0.441) 14.279 16.668 ( 3.749 2.724 2.335) 5.189 16.941 ( 0.472 1.541 -1.006) 1.900 17.288 ( -0.021 2.633 -2.687) 3.762 17.414 ( 2.041 4.379 -1.115) 4.958 17.819 ( 4.582 8.039 0.381) 9.261 18.033 ( -1.452 -5.063 2.032) 5.645 18.050 ( -2.255 -5.419 0.217) 5.874 18.372 ( -1.926 -0.452 1.342) 2.390 18.548 ( -6.291 -10.919 -1.925) 12.748 ======================= Grid point 265 (94/116) ======================= q-point: (-0.20 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.778 ( 2.955 5.118 0.000) 5.910 3.061 ( -6.451 -11.173 0.000) 12.901 3.503 ( 3.224 5.583 0.000) 6.447 3.921 ( 5.373 9.307 0.000) 10.747 4.103 ( 4.283 7.418 -0.000) 8.566 4.900 ( -10.499 -18.185 0.000) 20.998 5.026 ( 6.905 11.959 0.000) 13.810 5.755 ( 2.040 3.533 0.000) 4.079 5.906 ( 6.697 11.600 0.000) 13.395 6.465 ( -9.076 -15.720 0.000) 18.152 6.553 ( 7.634 13.223 -0.000) 15.268 7.031 ( 2.826 4.896 -0.000) 5.653 7.174 ( -5.018 -8.692 0.000) 10.037 7.516 ( 4.714 8.166 0.000) 9.429 7.946 ( -5.308 -9.194 -0.000) 10.617 8.842 ( -0.798 -1.383 0.000) 1.597 9.923 ( 6.990 12.106 0.000) 13.979 10.019 ( -9.771 -16.923 -0.000) 19.541 11.266 ( -1.781 -3.085 0.000) 3.562 12.103 ( 2.436 4.219 0.000) 4.872 12.201 ( -3.487 -6.040 0.000) 6.974 15.096 ( 5.892 10.205 0.000) 11.783 15.286 ( 3.106 5.379 0.000) 6.212 15.289 ( 2.426 4.202 0.000) 4.852 15.594 ( 3.737 6.472 0.000) 7.474 15.622 ( -3.157 -5.468 0.000) 6.314 15.928 ( -5.648 -9.783 0.000) 11.297 16.013 ( 2.683 4.647 0.000) 5.366 16.261 ( -3.694 -6.399 0.000) 7.389 16.297 ( -1.208 -2.092 0.000) 2.415 16.764 ( 2.013 3.487 0.000) 4.026 16.949 ( 0.452 0.782 0.000) 0.903 17.303 ( 0.794 1.376 0.000) 1.588 17.490 ( 2.399 4.154 0.000) 4.797 17.902 ( -1.026 -1.777 0.000) 2.052 17.958 ( -2.488 -4.310 -0.000) 4.977 18.019 ( 1.516 2.626 -0.000) 3.032 18.351 ( -0.633 -1.096 0.000) 1.266 18.359 ( -4.307 -7.460 -0.000) 8.614 ======================= Grid point 274 (95/116) ======================= q-point: (-0.40 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.326 ( -0.000 1.008 11.025) 11.071 2.620 ( -0.000 -6.265 3.397) 7.126 3.446 ( -0.000 -10.389 -4.579) 11.353 4.099 ( 0.000 7.980 -7.263) 10.790 4.257 ( 0.000 32.491 0.127) 32.491 4.515 ( 0.000 7.414 -3.495) 8.197 5.464 ( -0.000 1.533 3.995) 4.279 5.469 ( 0.000 14.786 6.548) 16.171 5.672 ( 0.000 17.539 -0.046) 17.539 6.058 ( -0.000 -4.358 -2.109) 4.842 6.650 ( 0.000 9.795 3.461) 10.388 6.834 ( -0.000 -23.364 -10.542) 25.632 7.433 ( -0.000 -6.749 1.761) 6.975 7.678 ( -0.000 -8.858 3.271) 9.442 8.216 ( -0.000 -7.246 -1.071) 7.325 8.828 ( -0.000 -1.602 -0.244) 1.621 9.607 ( 0.000 18.975 0.939) 18.999 10.486 ( -0.000 -21.738 -0.872) 21.755 11.372 ( -0.000 -3.116 -1.584) 3.495 11.963 ( -0.000 -2.214 3.610) 4.235 12.420 ( 0.000 -1.940 -2.821) 3.424 14.708 ( 0.000 16.429 0.292) 16.432 15.068 ( 0.000 2.993 1.643) 3.414 15.152 ( 0.000 2.870 0.383) 2.895 15.571 ( 0.000 3.323 -3.262) 4.657 15.739 ( 0.000 0.797 -1.823) 1.990 15.834 ( 0.000 6.005 2.588) 6.539 16.111 ( -0.000 -4.193 1.333) 4.400 16.356 ( -0.000 -0.112 0.169) 0.203 16.550 ( -0.000 -6.248 3.509) 7.166 16.630 ( -0.000 -7.413 4.708) 8.781 16.920 ( 0.000 3.840 -4.201) 5.692 17.308 ( 0.000 3.368 -3.569) 4.907 17.357 ( 0.000 3.060 -1.934) 3.620 17.733 ( 0.000 8.616 -0.223) 8.619 18.046 ( -0.000 -6.664 2.366) 7.072 18.099 ( -0.000 -4.418 2.488) 5.071 18.417 ( 0.000 0.765 0.136) 0.777 18.661 ( -0.000 -12.967 -3.388) 13.403 ======================= Grid point 275 (96/116) ======================= q-point: (-0.30 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.547 ( 11.550 -5.118 5.203) 13.663 2.637 ( 16.665 -7.946 5.519) 19.270 3.315 ( -3.907 -4.092 -4.737) 7.379 4.099 ( -2.059 7.693 -5.341) 9.589 4.337 ( -14.467 14.668 -2.992) 20.818 4.702 ( 10.620 14.075 -0.431) 17.638 5.416 ( -13.223 -2.994 5.292) 14.554 5.670 ( 2.301 5.862 10.361) 12.125 5.752 ( -0.771 11.210 1.184) 11.298 6.184 ( 12.697 8.815 -2.416) 15.644 6.567 ( 3.064 -22.525 -8.625) 24.314 6.814 ( 4.046 12.837 1.893) 13.592 7.381 ( -1.833 -2.991 0.229) 3.516 7.569 ( -6.056 -5.967 2.635) 8.901 8.125 ( -3.490 -5.569 -0.748) 6.615 8.813 ( 1.267 -2.761 -1.043) 3.212 9.769 ( 1.551 11.031 -1.590) 11.252 10.269 ( -3.729 -15.278 0.193) 15.728 11.320 ( -1.098 -3.307 -2.155) 4.097 11.979 ( 2.306 -2.251 2.254) 3.933 12.365 ( -3.300 -0.502 -2.388) 4.105 14.885 ( 4.557 11.720 1.619) 12.679 15.145 ( 3.767 4.196 2.522) 6.177 15.200 ( 1.807 2.996 1.199) 3.698 15.555 ( -1.823 0.937 -2.236) 3.033 15.724 ( -1.072 0.175 -1.623) 1.953 15.923 ( 1.968 5.626 1.976) 6.280 16.071 ( -1.642 -3.628 0.745) 4.052 16.341 ( -2.100 -0.021 0.784) 2.242 16.431 ( -3.539 -10.789 -0.708) 11.377 16.672 ( 1.934 0.669 7.878) 8.140 16.930 ( 0.934 1.636 -3.480) 3.957 17.298 ( -0.876 2.257 -3.024) 3.874 17.403 ( 2.664 3.526 -1.463) 4.655 17.801 ( 2.176 2.785 -2.650) 4.418 17.997 ( 0.297 -6.330 0.931) 6.405 18.089 ( -2.016 0.593 5.396) 5.791 18.402 ( -1.679 -1.130 -0.252) 2.039 18.503 ( -2.930 -8.391 -5.321) 10.359 ======================= Grid point 285 (97/116) ======================= q-point: (-0.30 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.397 ( -0.000 -8.124 10.102) 12.963 2.435 ( -0.000 -16.992 -0.612) 17.003 3.318 ( 0.000 4.920 -4.562) 6.710 4.135 ( 0.000 5.269 -5.442) 7.575 4.551 ( 0.000 1.787 -4.812) 5.133 4.674 ( 0.000 5.554 2.429) 6.061 5.587 ( -0.000 2.362 8.927) 9.234 5.775 ( -0.000 -0.455 10.667) 10.677 5.935 ( 0.000 9.822 2.905) 10.243 6.097 ( 0.000 14.537 1.835) 14.653 6.261 ( -0.000 -16.879 -11.168) 20.239 6.933 ( 0.000 13.691 1.224) 13.745 7.370 ( 0.000 0.650 -2.989) 3.059 7.578 ( -0.000 -5.429 1.704) 5.690 8.118 ( -0.000 -2.658 0.625) 2.730 8.761 ( -0.000 -3.832 -1.779) 4.225 9.741 ( -0.000 -11.880 -4.355) 12.653 10.256 ( 0.000 6.280 1.600) 6.481 11.281 ( 0.000 -3.046 -3.074) 4.328 11.943 ( -0.000 -3.848 1.481) 4.123 12.384 ( 0.000 1.871 -2.169) 2.865 14.942 ( 0.000 4.882 2.774) 5.615 15.169 ( -0.000 3.512 4.191) 5.468 15.221 ( 0.000 2.466 1.798) 3.052 15.562 ( 0.000 -0.431 -2.189) 2.231 15.720 ( 0.000 0.644 -2.442) 2.525 15.975 ( 0.000 4.443 2.488) 5.092 16.061 ( -0.000 -2.565 0.686) 2.655 16.373 ( 0.000 1.133 0.860) 1.423 16.377 ( -0.000 -4.584 -1.754) 4.909 16.718 ( -0.000 -1.377 11.489) 11.571 16.903 ( 0.000 1.059 -5.395) 5.498 17.309 ( 0.000 1.055 -2.033) 2.291 17.397 ( 0.000 3.562 -1.312) 3.796 17.774 ( 0.000 -0.643 -3.871) 3.924 17.934 ( -0.000 -6.950 0.250) 6.955 18.162 ( -0.000 2.054 5.834) 6.185 18.367 ( -0.000 -8.079 -0.680) 8.108 18.463 ( 0.000 3.975 -7.110) 8.145 ======================= Grid point 342 (98/116) ======================= q-point: ( 0.30 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( -0.000 0.000 17.652) 17.652 1.134 ( -0.000 0.000 17.652) 17.652 2.427 ( -0.000 0.000 30.889) 30.889 3.838 ( 0.000 -0.000 -1.165) 1.165 4.327 ( 0.000 -0.000 -4.731) 4.731 4.327 ( 0.000 -0.000 -4.731) 4.731 4.810 ( 0.000 -0.000 -22.810) 22.810 4.810 ( 0.000 -0.000 -22.810) 22.810 5.588 ( 0.000 -0.000 -7.867) 7.867 6.616 ( 0.000 -0.000 -9.361) 9.361 6.616 ( 0.000 -0.000 -9.361) 9.361 7.871 ( 0.000 -0.000 -8.003) 8.003 7.993 ( -0.000 0.000 9.797) 9.797 7.993 ( -0.000 0.000 9.797) 9.797 8.599 ( -0.000 0.000 7.586) 7.586 8.599 ( -0.000 0.000 7.586) 7.586 8.944 ( 0.000 -0.000 -7.498) 7.498 11.426 ( -0.000 0.000 1.202) 1.202 11.426 ( -0.000 0.000 1.202) 1.202 11.896 ( -0.000 0.000 15.877) 15.877 12.891 ( 0.000 -0.000 -6.972) 6.972 13.769 ( 0.000 -0.000 -2.550) 2.550 15.026 ( 0.000 -0.000 -5.198) 5.198 15.242 ( 0.000 -0.000 -6.645) 6.645 15.242 ( 0.000 -0.000 -6.645) 6.645 15.575 ( 0.000 -0.000 -0.241) 0.241 15.575 ( -0.000 -0.000 -0.241) 0.241 16.330 ( -0.000 0.000 1.565) 1.565 16.450 ( 0.000 -0.000 -1.257) 1.257 16.450 ( 0.000 -0.000 -1.257) 1.257 16.672 ( -0.000 0.000 0.725) 0.725 16.672 ( -0.000 0.000 0.725) 0.725 17.266 ( 0.000 -0.000 -2.712) 2.712 17.266 ( 0.000 -0.000 -2.712) 2.712 17.491 ( -0.000 0.000 3.436) 3.436 18.161 ( -0.000 0.000 8.721) 8.721 18.161 ( -0.000 0.000 8.721) 8.721 18.401 ( -0.000 0.000 0.686) 0.686 19.530 ( -0.000 0.000 2.498) 2.498 ======================= Grid point 343 (99/116) ======================= q-point: ( 0.40 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( 28.964 16.722 15.047) 36.674 1.574 ( 21.688 12.522 11.631) 27.612 2.620 ( 1.138 0.657 23.982) 24.018 3.809 ( -1.723 -0.995 -3.090) 3.675 4.241 ( -4.692 -2.709 -4.280) 6.904 4.327 ( -0.510 -0.294 -1.751) 1.847 4.672 ( 7.762 4.481 -19.380) 21.352 4.852 ( 12.101 6.987 -21.470) 25.617 5.533 ( -0.264 -0.152 -6.424) 6.431 6.541 ( -0.340 -0.196 -7.242) 7.252 6.561 ( -1.450 -0.837 -8.634) 8.795 7.648 ( -13.681 -7.899 -3.020) 16.084 7.983 ( -5.811 -3.355 9.302) 11.470 8.060 ( -1.234 -0.712 7.614) 7.746 8.662 ( 1.741 1.005 4.990) 5.380 8.707 ( 5.749 3.319 5.961) 8.922 8.835 ( -5.629 -3.250 -5.683) 8.634 11.365 ( -6.310 -3.643 1.088) 7.367 11.443 ( 0.445 0.257 0.837) 0.982 11.950 ( -3.924 -2.266 15.324) 15.980 12.775 ( -5.443 -3.142 -5.990) 8.682 13.837 ( 7.797 4.502 -2.418) 9.322 14.999 ( 0.610 0.352 -4.509) 4.563 15.222 ( 0.954 0.551 -6.389) 6.483 15.258 ( 4.799 2.771 -5.740) 7.978 15.577 ( 1.055 0.609 0.209) 1.236 15.619 ( 3.613 2.086 -1.056) 4.304 16.325 ( -1.302 -0.751 1.406) 2.058 16.424 ( -1.252 -0.723 -0.888) 1.697 16.524 ( 7.034 4.061 -3.632) 8.897 16.666 ( 0.067 0.039 0.920) 0.923 16.747 ( 4.950 2.858 -0.612) 5.749 17.240 ( -0.036 -0.021 -1.696) 1.696 17.293 ( 2.622 1.514 -1.737) 3.491 17.472 ( -3.315 -1.914 2.343) 4.488 18.192 ( -1.316 -0.760 8.106) 8.248 18.217 ( -0.735 -0.424 7.047) 7.098 18.400 ( -0.498 -0.288 0.207) 0.612 19.435 ( -9.851 -5.687 3.259) 11.832 ======================= Grid point 344 (100/116) ======================= q-point: ( 0.50 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.117 ( 22.047 12.729 4.227) 25.807 2.285 ( 24.238 13.994 16.131) 32.303 2.856 ( 15.270 8.816 8.887) 19.746 3.753 ( 0.035 0.020 -4.222) 4.223 4.040 ( -12.225 -7.058 -2.477) 14.332 4.274 ( -2.102 -1.214 -0.319) 2.448 4.885 ( 18.869 10.894 -10.722) 24.284 5.048 ( 17.797 10.275 -16.953) 26.641 5.508 ( 1.729 0.998 -5.172) 5.544 6.438 ( -4.860 -2.806 -7.904) 9.693 6.511 ( 1.535 0.886 -4.847) 5.161 7.339 ( -14.301 -8.257 2.102) 16.647 7.851 ( -11.907 -6.875 8.110) 15.963 8.027 ( -5.399 -3.117 4.224) 7.531 8.628 ( -8.503 -4.909 -3.138) 10.307 8.745 ( 1.588 0.917 2.517) 3.113 8.928 ( 11.529 6.656 4.473) 14.044 11.172 ( -12.175 -7.029 0.820) 14.082 11.442 ( -1.250 -0.722 0.840) 1.670 11.958 ( -3.311 -1.912 12.152) 12.739 12.618 ( -5.668 -3.273 -4.606) 8.004 14.060 ( 14.136 8.162 -2.314) 16.486 14.998 ( 1.832 1.058 -3.441) 4.039 15.202 ( 1.060 0.612 -5.810) 5.937 15.335 ( 4.946 2.855 -2.876) 6.394 15.616 ( 1.999 1.154 0.879) 2.470 15.703 ( 4.826 2.787 -1.912) 5.892 16.290 ( -2.903 -1.676 1.042) 3.510 16.391 ( -1.178 -0.680 -0.611) 1.491 16.661 ( 8.130 4.694 -6.365) 11.342 16.688 ( 1.295 0.748 1.796) 2.337 16.839 ( 3.269 1.888 -1.548) 4.080 17.243 ( 1.085 0.627 -0.692) 1.431 17.303 ( -3.731 -2.154 1.703) 4.632 17.444 ( 3.090 1.784 -1.140) 3.746 18.211 ( -1.439 -0.831 6.556) 6.763 18.220 ( -2.688 -1.552 4.873) 5.778 18.378 ( -1.507 -0.870 -0.159) 1.747 19.186 ( -14.869 -8.584 3.925) 17.612 ======================= Grid point 345 (101/116) ======================= q-point: ( 0.60 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.489 ( 11.650 6.726 -5.180) 14.416 2.612 ( 2.528 1.460 11.370) 11.739 3.465 ( 26.265 15.164 -0.994) 30.345 3.744 ( -6.596 -3.808 0.803) 7.659 3.804 ( 6.275 3.623 0.369) 7.255 4.276 ( 1.767 1.020 3.877) 4.382 5.264 ( 21.196 12.237 -7.715) 25.662 5.360 ( 18.061 10.427 -8.769) 22.623 5.540 ( 4.513 2.606 -5.455) 7.544 6.255 ( -7.640 -4.411 -6.429) 10.916 6.553 ( 4.856 2.804 -2.949) 6.336 7.044 ( -16.541 -9.550 5.085) 19.765 7.608 ( -13.777 -7.954 6.063) 17.024 7.898 ( -7.860 -4.538 1.024) 9.133 8.414 ( -8.728 -5.039 -3.319) 10.610 8.794 ( 0.710 0.410 2.899) 3.013 9.244 ( 15.285 8.825 2.929) 17.891 10.862 ( -16.979 -9.803 0.529) 19.613 11.401 ( -3.215 -1.856 1.463) 3.991 11.974 ( -1.113 -0.643 6.893) 7.012 12.479 ( -4.912 -2.836 -2.666) 6.267 14.389 ( 17.229 9.947 -2.181) 20.013 15.035 ( 3.402 1.964 -2.344) 4.575 15.193 ( 1.430 0.826 -5.127) 5.386 15.430 ( 4.673 2.698 -0.074) 5.396 15.664 ( 1.532 0.885 1.677) 2.438 15.793 ( 4.779 2.759 -2.163) 5.928 16.216 ( -4.123 -2.380 0.278) 4.769 16.370 ( -0.454 -0.262 -0.547) 0.758 16.746 ( 2.433 1.405 3.328) 4.355 16.747 ( 1.453 0.839 -6.958) 7.158 16.827 ( -2.361 -1.363 -1.689) 3.207 17.230 ( -1.364 -0.788 0.279) 1.600 17.275 ( 1.986 1.146 0.210) 2.302 17.564 ( 7.170 4.139 -0.013) 8.279 18.167 ( -4.538 -2.620 2.551) 5.828 18.208 ( -1.717 -0.991 1.936) 2.771 18.347 ( -1.514 -0.874 2.311) 2.897 18.879 ( -15.590 -9.001 3.773) 18.393 ======================= Grid point 346 (102/116) ======================= q-point: (-0.30 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.549 ( 0.034 0.020 -10.804) 10.805 2.649 ( -3.746 -2.163 0.679) 4.379 3.348 ( -10.902 -6.294 4.584) 13.397 3.980 ( 7.069 4.082 4.299) 9.226 4.276 ( 29.410 16.980 -1.367) 33.988 4.405 ( 6.252 3.610 6.815) 9.928 5.569 ( 4.937 2.851 -6.156) 8.391 5.650 ( 19.001 10.970 -10.262) 24.222 5.710 ( 13.978 8.070 -3.993) 16.627 6.052 ( -7.216 -4.166 -2.244) 8.630 6.598 ( -14.135 -8.161 8.466) 18.387 6.749 ( 0.578 0.334 -2.266) 2.362 7.410 ( -7.063 -4.078 4.636) 9.381 7.725 ( -7.654 -4.419 -1.264) 8.928 8.228 ( -6.521 -3.765 -2.571) 7.956 8.803 ( -1.518 -0.876 2.187) 2.803 9.596 ( 14.858 8.578 2.246) 17.302 10.475 ( -18.238 -10.529 0.110) 21.059 11.335 ( -3.740 -2.159 2.141) 4.820 11.987 ( -0.833 -0.481 1.588) 1.857 12.386 ( -2.600 -1.501 0.254) 3.013 14.732 ( 15.088 8.711 -2.167) 17.557 15.106 ( 4.256 2.457 -2.004) 5.307 15.197 ( 1.885 1.089 -4.173) 4.707 15.522 ( 3.026 1.747 1.583) 3.836 15.698 ( 0.389 0.225 2.312) 2.355 15.883 ( 5.079 2.932 -2.194) 6.262 16.129 ( -3.673 -2.121 -0.485) 4.269 16.364 ( 0.290 0.167 -0.666) 0.745 16.568 ( -11.824 -6.826 0.557) 13.664 16.799 ( 1.089 0.629 -10.734) 10.807 16.829 ( 2.539 1.466 4.819) 5.640 17.256 ( 2.379 1.374 1.107) 2.962 17.328 ( 2.597 1.499 0.927) 3.139 17.711 ( 4.918 2.839 1.982) 6.015 18.064 ( -5.859 -3.383 0.567) 6.789 18.171 ( -0.275 -0.159 -4.121) 4.133 18.362 ( 0.575 0.332 5.671) 5.710 18.591 ( -13.088 -7.556 3.415) 15.494 ======================= Grid point 353 (103/116) ======================= q-point: ( 0.40 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( -0.000 12.354 16.236) 20.402 1.820 ( 0.000 38.306 9.702) 39.516 2.756 ( -0.000 -2.044 19.392) 19.500 3.813 ( 0.000 0.593 -3.339) 3.391 4.263 ( -0.000 -6.913 -1.223) 7.021 4.278 ( 0.000 2.948 -3.642) 4.686 4.538 ( 0.000 10.812 -18.360) 21.307 4.716 ( 0.000 12.221 -17.501) 21.345 5.490 ( 0.000 -0.867 -5.118) 5.190 6.460 ( 0.000 -4.281 -5.453) 6.933 6.550 ( 0.000 2.270 -7.343) 7.686 7.635 ( -0.000 -11.755 -4.424) 12.560 8.060 ( -0.000 -4.646 8.265) 9.481 8.088 ( -0.000 -4.606 6.931) 8.322 8.699 ( -0.000 0.985 3.597) 3.730 8.719 ( 0.000 5.822 4.293) 7.234 8.807 ( 0.000 -5.170 -4.557) 6.892 11.378 ( -0.000 -6.990 0.979) 7.058 11.445 ( -0.000 0.414 0.794) 0.896 12.046 ( -0.000 -5.227 14.545) 15.456 12.736 ( 0.000 -4.976 -6.856) 8.472 13.822 ( 0.000 8.861 -2.048) 9.095 14.971 ( 0.000 0.777 -3.816) 3.895 15.146 ( 0.000 -0.929 -4.240) 4.340 15.266 ( 0.000 8.779 -6.399) 10.864 15.577 ( 0.000 1.140 0.335) 1.188 15.607 ( 0.000 2.873 -0.625) 2.940 16.330 ( -0.000 -2.108 1.275) 2.464 16.428 ( 0.000 -1.015 -1.087) 1.487 16.463 ( 0.000 1.990 -1.157) 2.301 16.716 ( 0.000 3.178 -0.616) 3.237 16.723 ( 0.000 6.032 -0.443) 6.048 17.252 ( 0.000 2.113 -0.585) 2.192 17.262 ( 0.000 1.721 -2.138) 2.744 17.489 ( -0.000 -3.928 2.051) 4.431 18.229 ( -0.000 -2.709 6.862) 7.377 18.270 ( -0.000 -0.105 5.682) 5.682 18.401 ( -0.000 -0.830 0.396) 0.919 19.460 ( -0.000 -10.137 2.532) 10.449 ======================= Grid point 354 (104/116) ======================= q-point: ( 0.50 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.894 ( 25.567 15.454 11.761) 32.106 2.311 ( 8.428 35.145 7.621) 36.936 2.835 ( 1.441 -1.437 8.751) 8.984 3.779 ( -1.985 4.184 -4.553) 6.495 4.132 ( -5.496 -7.771 -0.701) 9.544 4.249 ( -2.141 -1.594 -3.309) 4.251 4.697 ( 11.505 17.595 -8.426) 22.648 4.836 ( 11.287 16.716 -13.648) 24.353 5.461 ( 0.882 -0.212 -3.620) 3.731 6.381 ( -0.763 -5.840 -4.224) 7.248 6.512 ( -1.135 2.492 -5.409) 6.063 7.440 ( -7.626 -10.137 -0.787) 12.710 7.989 ( -7.186 -7.832 6.697) 12.563 8.055 ( -1.914 -8.654 3.746) 9.622 8.651 ( -4.235 -8.455 -2.099) 9.686 8.762 ( 0.184 2.866 1.436) 3.211 8.876 ( 6.752 9.156 3.085) 11.787 11.249 ( -6.503 -10.333 0.712) 12.230 11.452 ( -0.202 -0.311 0.461) 0.591 12.056 ( -2.658 -5.544 11.773) 13.282 12.620 ( -3.120 -4.262 -5.591) 7.692 13.969 ( 7.312 12.491 -1.722) 14.576 14.967 ( 0.959 1.547 -2.759) 3.305 15.137 ( 2.105 -0.625 -3.340) 3.997 15.319 ( 1.232 8.055 -4.408) 9.265 15.608 ( 1.317 2.056 0.967) 2.626 15.658 ( 3.081 3.634 -1.332) 4.947 16.306 ( -1.041 -3.060 1.051) 3.399 16.399 ( -1.107 -1.118 -0.443) 1.635 16.521 ( 5.230 0.801 -1.597) 5.527 16.738 ( -0.130 5.351 -0.505) 5.377 16.806 ( 2.634 4.697 -1.638) 5.629 17.248 ( -0.554 1.995 -0.494) 2.128 17.310 ( 1.850 0.739 0.131) 1.996 17.440 ( -1.549 -1.824 0.157) 2.398 18.237 ( -0.587 -3.484 5.334) 6.398 18.279 ( -1.655 -1.443 3.139) 3.830 18.389 ( -0.826 -0.954 0.778) 1.483 19.299 ( -8.147 -12.574 2.480) 15.187 ======================= Grid point 355 (105/116) ======================= q-point: ( 0.60 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.466 ( 12.002 22.399 0.057) 25.412 2.680 ( 0.736 6.619 10.569) 12.492 3.041 ( 25.352 6.913 -2.077) 26.360 3.805 ( -1.390 0.304 -0.705) 1.588 3.942 ( -9.608 7.665 -0.369) 12.297 4.218 ( 4.973 -4.571 0.329) 6.762 5.044 ( 16.365 16.338 -4.832) 23.624 5.169 ( 15.410 19.048 -6.752) 25.414 5.471 ( 2.674 1.262 -3.304) 4.434 6.253 ( -4.110 -7.180 -3.703) 9.064 6.522 ( 2.030 4.379 -2.495) 5.433 7.215 ( -10.827 -8.078 2.362) 13.713 7.778 ( -12.835 -9.757 4.583) 16.761 7.919 ( -4.048 -12.009 0.316) 12.677 8.463 ( -6.891 -8.101 -1.994) 10.820 8.810 ( 0.761 2.114 1.937) 2.966 9.136 ( 11.238 11.429 1.783) 16.128 10.994 ( -11.948 -13.121 0.514) 17.754 11.431 ( -1.787 -1.587 0.619) 2.469 12.033 ( -2.260 -3.293 6.520) 7.647 12.498 ( -3.702 -3.704 -3.012) 6.042 14.249 ( 12.529 14.478 -1.385) 19.197 14.998 ( 2.313 2.742 -1.655) 3.950 15.148 ( 1.699 0.782 -3.136) 3.651 15.396 ( 3.063 4.927 -0.972) 5.882 15.660 ( 1.627 1.865 1.473) 2.880 15.743 ( 3.912 4.286 -1.902) 6.107 16.248 ( -2.901 -3.642 0.362) 4.671 16.370 ( -0.803 -1.101 -0.169) 1.373 16.602 ( 6.038 -0.335 -2.546) 6.561 16.797 ( 0.054 5.135 -0.271) 5.143 16.837 ( -0.333 -1.138 -0.653) 1.354 17.258 ( -2.024 -2.232 1.131) 3.218 17.278 ( -0.359 1.978 -0.602) 2.099 17.506 ( 5.614 6.145 -0.377) 8.332 18.208 ( -2.304 -3.966 2.673) 5.309 18.233 ( -2.671 -3.174 0.345) 4.162 18.375 ( -1.018 -0.580 2.121) 2.423 19.027 ( -12.135 -12.747 2.309) 17.751 ======================= Grid point 356 (106/116) ======================= q-point: ( 0.70 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.626 ( -4.966 12.320 -7.270) 15.143 2.731 ( -5.853 10.220 -1.391) 11.859 3.449 ( -0.687 -7.746 4.011) 8.750 3.744 ( 22.127 -0.177 3.065) 22.339 4.087 ( 5.737 8.519 2.411) 10.550 4.384 ( 11.522 10.855 2.263) 15.991 5.423 ( 15.741 13.403 -4.931) 21.254 5.447 ( 6.290 0.742 -4.074) 7.531 5.582 ( 9.185 11.326 -3.404) 14.974 6.110 ( -3.730 -1.921 -0.680) 4.250 6.626 ( 5.660 7.560 -1.935) 9.641 6.941 ( -17.905 -9.294 6.086) 21.071 7.516 ( -10.139 -7.257 1.632) 12.575 7.732 ( -3.950 -12.052 -1.841) 12.815 8.271 ( -6.636 -7.069 -1.037) 9.751 8.836 ( -0.899 0.787 1.436) 1.869 9.458 ( 14.076 11.579 0.720) 18.241 10.641 ( -15.882 -14.521 0.472) 21.525 11.378 ( -2.895 -2.598 1.253) 4.087 12.013 ( -1.393 -0.297 0.938) 1.705 12.402 ( -2.484 -3.854 0.239) 4.592 14.593 ( 13.730 14.072 -1.144) 19.693 15.068 ( 3.224 4.088 -1.146) 5.331 15.165 ( 1.269 2.271 -2.754) 3.788 15.489 ( 3.916 1.905 1.419) 4.580 15.704 ( 0.985 0.531 1.686) 2.023 15.832 ( 3.661 4.608 -1.898) 6.183 16.158 ( -3.620 -3.636 -0.492) 5.154 16.351 ( 0.001 -1.302 -0.340) 1.345 16.645 ( -2.465 -2.467 -4.024) 5.325 16.697 ( -2.183 -7.040 -0.261) 7.375 16.875 ( 0.529 4.518 0.753) 4.611 17.242 ( 1.259 0.910 1.104) 1.906 17.328 ( 1.854 3.439 0.958) 4.022 17.671 ( 6.277 6.852 0.525) 9.307 18.120 ( -4.867 -3.807 -0.093) 6.180 18.153 ( -2.217 -3.803 -1.954) 4.816 18.380 ( 0.374 -0.592 2.973) 3.054 18.731 ( -12.036 -11.087 2.393) 16.539 ======================= Grid point 364 (107/116) ======================= q-point: ( 0.50 0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( -0.000 16.097 13.613) 21.081 2.664 ( 0.000 34.979 8.735) 36.053 2.851 ( 0.000 3.134 -0.569) 3.185 3.802 ( 0.000 5.886 -6.268) 8.599 4.015 ( -0.000 -14.258 -1.884) 14.382 4.321 ( 0.000 3.782 -1.312) 4.003 4.770 ( 0.000 25.392 -3.759) 25.669 4.816 ( 0.000 17.931 -8.668) 19.916 5.434 ( 0.000 -0.040 -1.632) 1.632 6.315 ( -0.000 -6.194 -1.761) 6.439 6.504 ( 0.000 1.661 -4.464) 4.763 7.392 ( -0.000 -10.423 -1.550) 10.538 7.975 ( -0.000 -14.190 2.180) 14.357 8.019 ( -0.000 -8.860 4.886) 10.118 8.585 ( -0.000 -10.363 -1.408) 10.458 8.794 ( 0.000 2.786 0.490) 2.828 8.944 ( 0.000 13.196 2.817) 13.494 11.192 ( -0.000 -13.885 0.181) 13.886 11.453 ( -0.000 -0.546 0.189) 0.578 12.086 ( -0.000 -7.105 8.972) 11.445 12.570 ( 0.000 -4.011 -4.896) 6.329 14.034 ( 0.000 15.953 -1.139) 15.994 14.961 ( 0.000 2.150 -1.728) 2.758 15.102 ( 0.000 0.123 -1.168) 1.175 15.361 ( 0.000 8.793 -4.700) 9.970 15.632 ( 0.000 3.594 1.620) 3.942 15.657 ( 0.000 3.521 -1.058) 3.676 16.286 ( -0.000 -4.312 1.195) 4.474 16.391 ( -0.000 -1.388 -0.699) 1.554 16.501 ( -0.000 2.216 1.854) 2.889 16.770 ( 0.000 4.350 -2.103) 4.832 16.829 ( 0.000 5.155 -1.345) 5.327 17.272 ( 0.000 2.138 -1.865) 2.837 17.298 ( -0.000 -0.816 1.820) 1.995 17.439 ( 0.000 0.800 -0.564) 0.979 18.237 ( -0.000 -4.386 4.218) 6.086 18.282 ( -0.000 -3.484 0.941) 3.609 18.398 ( -0.000 -0.304 1.152) 1.191 19.244 ( -0.000 -15.349 1.117) 15.389 ======================= Grid point 365 (108/116) ======================= q-point: ( 0.60 0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.337 ( 23.507 13.793 11.062) 29.414 2.786 ( 0.504 -5.343 4.178) 6.801 3.050 ( -5.952 36.833 -5.465) 37.709 3.809 ( -1.497 -3.807 -0.904) 4.190 3.972 ( 10.346 1.402 -3.487) 11.007 4.244 ( -10.199 4.165 -2.077) 11.210 5.003 ( 7.305 20.369 -0.955) 21.661 5.122 ( 11.408 23.614 -2.010) 26.302 5.440 ( 0.944 1.239 -0.281) 1.583 6.225 ( -2.596 -7.155 -0.850) 7.659 6.515 ( 1.734 3.499 -1.696) 4.257 7.253 ( -3.761 -9.894 -1.479) 10.688 7.820 ( -1.794 -16.810 0.291) 16.908 7.891 ( -8.078 -10.622 3.129) 13.707 8.452 ( -3.353 -10.054 -0.832) 10.631 8.826 ( 0.781 2.091 0.350) 2.260 9.137 ( 5.133 15.237 1.544) 16.152 11.001 ( -5.846 -16.683 -0.112) 17.678 11.438 ( -0.747 -1.743 -0.073) 1.898 12.058 ( -1.211 -5.184 4.384) 6.896 12.491 ( -2.064 -3.792 -2.621) 5.051 14.241 ( 6.403 17.860 -0.546) 18.981 14.988 ( 1.402 3.209 -0.646) 3.561 15.117 ( 1.475 0.955 -0.153) 1.764 15.412 ( 0.461 6.635 -2.624) 7.150 15.674 ( 0.267 2.880 0.767) 2.992 15.720 ( 3.125 4.793 -0.305) 5.730 16.243 ( -1.001 -4.862 0.839) 5.034 16.371 ( -0.650 -1.378 -0.164) 1.532 16.551 ( 1.333 2.364 2.223) 3.507 16.815 ( 2.157 3.710 -1.694) 4.614 16.837 ( -1.553 -0.732 -0.677) 1.845 17.264 ( -1.099 -2.636 0.397) 2.883 17.290 ( 0.390 1.901 -1.634) 2.537 17.500 ( 2.932 7.882 0.111) 8.410 18.209 ( -0.950 -5.066 2.481) 5.720 18.233 ( -1.690 -4.693 0.021) 4.988 18.395 ( -0.741 -0.110 0.548) 0.928 19.048 ( -6.002 -15.914 0.138) 17.009 ======================= Grid point 366 (109/116) ======================= q-point: (-0.30 -0.50 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.683 ( 0.364 0.631 0.000) 0.729 3.054 ( 14.889 25.789 0.000) 29.779 3.147 ( 5.000 8.660 0.000) 10.000 3.648 ( -6.877 -11.911 0.000) 13.754 4.111 ( -1.727 -2.991 0.000) 3.453 4.324 ( 12.995 22.508 0.000) 25.990 5.341 ( 10.726 18.578 0.000) 21.452 5.383 ( 0.634 1.099 0.000) 1.269 5.554 ( 7.414 12.841 0.000) 14.827 6.128 ( -0.780 -1.352 -0.000) 1.561 6.608 ( 4.026 6.973 0.000) 8.051 7.076 ( -5.937 -10.283 0.000) 11.874 7.623 ( -8.381 -14.517 -0.000) 16.763 7.638 ( -6.347 -10.993 0.000) 12.693 8.289 ( -5.275 -9.137 0.000) 10.551 8.854 ( 0.500 0.866 0.000) 1.000 9.396 ( 8.719 15.101 0.000) 17.437 10.705 ( -10.463 -18.122 0.000) 20.926 11.394 ( -1.801 -3.119 0.000) 3.602 12.028 ( -0.540 -0.935 0.000) 1.080 12.403 ( -2.711 -4.695 0.000) 5.421 14.544 ( 10.208 17.681 0.000) 20.416 15.058 ( 2.777 4.810 0.000) 5.554 15.158 ( 1.457 2.524 0.000) 2.914 15.468 ( 1.912 3.312 0.000) 3.824 15.702 ( 0.494 0.856 0.000) 0.988 15.821 ( 3.185 5.517 0.000) 6.370 16.169 ( -2.854 -4.943 0.000) 5.707 16.343 ( -0.946 -1.639 0.000) 1.892 16.612 ( 1.924 3.333 0.000) 3.848 16.705 ( -6.323 -10.951 0.000) 12.646 16.893 ( 2.051 3.553 0.000) 4.103 17.243 ( 0.471 0.816 0.000) 0.943 17.333 ( 2.047 3.546 0.000) 4.094 17.653 ( 5.318 9.210 0.000) 10.635 18.143 ( -2.785 -4.824 0.000) 5.570 18.145 ( -3.010 -5.213 0.000) 6.020 18.383 ( -0.365 -0.633 0.000) 0.731 18.787 ( -8.281 -14.343 0.000) 16.562 ======================= Grid point 376 (110/116) ======================= q-point: (-0.40 -0.40 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.313 ( -0.000 9.446 11.839) 15.145 2.739 ( -0.000 -5.425 -0.241) 5.430 3.479 ( 0.000 34.515 -3.405) 34.683 3.741 ( -0.000 -7.820 0.836) 7.865 3.873 ( 0.000 10.086 -6.206) 11.842 4.363 ( 0.000 4.941 -4.139) 6.445 5.151 ( 0.000 21.495 2.882) 21.688 5.254 ( 0.000 24.982 2.062) 25.067 5.459 ( -0.000 2.718 2.512) 3.701 6.181 ( -0.000 -7.849 1.090) 7.925 6.526 ( 0.000 4.920 -0.104) 4.922 7.142 ( -0.000 -14.950 -4.890) 15.729 7.670 ( -0.000 -16.926 -0.421) 16.931 7.883 ( -0.000 -10.356 2.521) 10.659 8.380 ( -0.000 -10.230 0.077) 10.230 8.831 ( 0.000 0.971 -0.825) 1.274 9.263 ( 0.000 17.921 0.842) 17.941 10.874 ( -0.000 -19.685 -0.625) 19.695 11.421 ( -0.000 -2.655 -0.736) 2.755 12.039 ( -0.000 -4.399 1.411) 4.620 12.460 ( -0.000 -3.682 -1.487) 3.971 14.363 ( 0.000 19.466 0.306) 19.469 15.007 ( 0.000 3.736 0.452) 3.763 15.122 ( -0.000 1.407 1.850) 2.325 15.455 ( 0.000 6.475 -2.758) 7.038 15.698 ( 0.000 2.430 -1.640) 2.932 15.746 ( 0.000 5.338 2.526) 5.905 16.209 ( -0.000 -5.181 0.971) 5.272 16.365 ( -0.000 -0.805 -0.048) 0.807 16.604 ( -0.000 2.541 6.545) 7.021 16.815 ( 0.000 4.321 -3.539) 5.585 16.818 ( -0.000 -6.403 -0.074) 6.403 17.251 ( 0.000 -0.962 -1.478) 1.763 17.293 ( 0.000 2.567 -1.524) 2.985 17.560 ( 0.000 9.378 0.478) 9.390 18.178 ( -0.000 -5.899 1.461) 6.078 18.203 ( -0.000 -5.032 0.822) 5.099 18.400 ( 0.000 0.219 -1.413) 1.430 18.934 ( -0.000 -17.137 -1.735) 17.224 ======================= Grid point 457 (111/116) ======================= q-point: ( 0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( -0.000 0.000 12.074) 12.074 1.437 ( -0.000 0.000 12.074) 12.074 2.910 ( -0.000 0.000 17.185) 17.185 3.818 ( 0.000 -0.000 -0.735) 0.735 4.225 ( 0.000 -0.000 -5.791) 5.791 4.225 ( 0.000 -0.000 -5.791) 5.791 4.435 ( 0.000 -0.000 -13.056) 13.056 4.435 ( 0.000 -0.000 -13.056) 13.056 5.468 ( 0.000 -0.000 -4.015) 4.015 6.478 ( 0.000 -0.000 -4.626) 4.626 6.478 ( 0.000 -0.000 -4.626) 4.626 7.710 ( 0.000 -0.000 -7.173) 7.173 8.164 ( -0.000 0.000 6.950) 6.950 8.164 ( -0.000 0.000 6.950) 6.950 8.691 ( -0.000 0.000 2.172) 2.172 8.691 ( -0.000 0.000 2.172) 2.172 8.838 ( 0.000 -0.000 -3.311) 3.311 11.449 ( -0.000 0.000 0.955) 0.955 11.449 ( -0.000 0.000 0.955) 0.955 12.196 ( -0.000 0.000 13.957) 13.957 12.733 ( 0.000 -0.000 -8.869) 8.869 13.727 ( 0.000 -0.000 -1.550) 1.550 14.941 ( 0.000 -0.000 -3.105) 3.105 15.135 ( 0.000 -0.000 -3.907) 3.907 15.135 ( 0.000 -0.000 -3.907) 3.907 15.570 ( 0.000 -0.000 -0.190) 0.190 15.570 ( 0.000 -0.000 -0.190) 0.190 16.354 ( -0.000 0.000 0.854) 0.854 16.429 ( 0.000 -0.000 -0.772) 0.772 16.429 ( 0.000 -0.000 -0.772) 0.772 16.678 ( 0.000 -0.000 -0.007) 0.007 16.678 ( -0.000 -0.000 -0.007) 0.007 17.229 ( 0.000 -0.000 -1.138) 1.138 17.229 ( 0.000 -0.000 -1.138) 1.138 17.546 ( -0.000 0.000 2.048) 2.048 18.301 ( -0.000 0.000 5.055) 5.055 18.301 ( -0.000 0.000 5.055) 5.055 18.411 ( -0.000 0.000 0.385) 0.385 19.572 ( -0.000 0.000 1.577) 1.577 ======================= Grid point 458 (112/116) ======================= q-point: ( 0.50 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( 16.692 9.637 3.426) 19.576 1.807 ( 27.842 16.075 11.161) 34.032 2.956 ( -3.827 -2.209 9.562) 10.533 3.751 ( -3.758 -2.170 -2.173) 4.853 4.174 ( -2.805 -1.619 -1.687) 3.652 4.305 ( -1.922 -1.110 -2.229) 3.145 4.393 ( 15.197 8.774 -5.924) 18.521 4.504 ( 11.541 6.663 -12.929) 18.568 5.443 ( -0.067 -0.039 -2.568) 2.569 6.435 ( -2.291 -1.323 -4.077) 4.860 6.448 ( 0.217 0.125 -2.224) 2.238 7.574 ( -8.140 -4.700 -3.132) 9.907 8.136 ( -5.987 -3.457 5.470) 8.815 8.175 ( -3.319 -1.916 3.455) 5.160 8.722 ( 1.738 1.004 1.490) 2.500 8.756 ( -5.514 -3.183 -2.219) 6.742 8.772 ( 6.256 3.612 1.126) 7.311 11.384 ( -6.409 -3.700 0.763) 7.439 11.457 ( 0.092 0.053 0.447) 0.459 12.222 ( -5.149 -2.973 11.218) 12.696 12.637 ( -3.155 -1.821 -7.184) 8.055 13.801 ( 7.646 4.414 -1.120) 8.899 14.932 ( 0.836 0.482 -2.054) 2.270 15.123 ( 0.542 0.313 -3.314) 3.372 15.178 ( 5.578 3.220 -2.134) 6.785 15.583 ( 1.570 0.907 0.435) 1.865 15.601 ( 2.646 1.528 -0.852) 3.172 16.345 ( -1.325 -0.765 0.554) 1.627 16.412 ( -1.060 -0.612 -0.331) 1.268 16.472 ( 4.196 2.422 -1.715) 5.139 16.681 ( 0.831 0.480 0.773) 1.232 16.731 ( 4.066 2.348 -0.835) 4.769 17.223 ( 0.412 0.238 -0.113) 0.488 17.266 ( 3.405 1.966 -1.060) 4.072 17.510 ( -4.259 -2.459 1.260) 5.077 18.310 ( -1.345 -0.777 3.629) 3.947 18.317 ( -1.463 -0.845 2.799) 3.269 18.406 ( -0.703 -0.406 0.419) 0.913 19.483 ( -8.804 -5.083 1.479) 10.273 ======================= Grid point 459 (113/116) ======================= q-point: ( 0.60 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( 16.616 9.593 -5.925) 20.080 2.580 ( 30.979 17.886 12.791) 37.990 2.914 ( 1.717 0.991 -2.788) 3.421 3.718 ( 2.267 1.309 1.365) 2.952 4.005 ( -11.541 -6.663 -0.824) 13.351 4.290 ( 0.813 0.469 1.631) 1.882 4.752 ( 19.376 11.187 -2.163) 22.478 4.806 ( 21.393 12.351 -7.195) 25.729 5.438 ( 1.008 0.582 -1.909) 2.236 6.329 ( -5.246 -3.029 -3.150) 6.827 6.461 ( 1.864 1.076 -0.149) 2.158 7.364 ( -10.363 -5.983 1.041) 12.012 7.967 ( -12.547 -7.244 3.214) 14.840 8.070 ( -7.202 -4.158 -0.133) 8.317 8.579 ( -8.949 -5.167 -1.126) 10.395 8.786 ( 2.475 1.429 1.294) 3.137 8.971 ( 11.676 6.741 0.169) 13.484 11.187 ( -12.288 -7.095 0.588) 14.201 11.453 ( -0.861 -0.497 0.233) 1.021 12.142 ( -6.388 -3.688 4.566) 8.675 12.533 ( -3.393 -1.959 -2.386) 4.587 14.030 ( 13.906 8.029 -0.694) 16.073 14.953 ( 2.087 1.205 -0.970) 2.598 15.117 ( 0.709 0.409 -2.639) 2.763 15.310 ( 6.675 3.854 0.527) 7.726 15.636 ( 2.595 1.498 1.100) 3.192 15.666 ( 4.115 2.376 -1.826) 5.090 16.299 ( -3.245 -1.874 -0.118) 3.749 16.385 ( -1.172 -0.677 -0.020) 1.353 16.559 ( 4.914 2.837 -4.029) 6.959 16.727 ( 2.548 1.471 2.107) 3.619 16.819 ( 3.704 2.139 -0.332) 4.290 17.245 ( 1.454 0.840 0.810) 1.864 17.319 ( -1.598 -0.923 -0.177) 1.854 17.434 ( 1.042 0.601 -0.035) 1.203 18.275 ( -3.468 -2.002 0.478) 4.033 18.282 ( -2.884 -1.665 1.074) 3.499 18.395 ( -0.626 -0.362 1.297) 1.485 19.240 ( -14.031 -8.101 1.488) 16.270 ======================= Grid point 469 (114/116) ======================= q-point: ( 0.50 0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( 0.000 14.089 8.931) 16.681 1.926 ( 0.000 34.751 -0.061) 34.751 2.998 ( -0.000 -6.386 5.078) 8.159 3.751 ( -0.000 -3.055 -2.249) 3.794 4.208 ( -0.000 -6.443 -4.955) 8.129 4.242 ( 0.000 5.376 0.815) 5.437 4.354 ( 0.000 15.104 1.578) 15.186 4.454 ( 0.000 12.619 -8.754) 15.358 5.429 ( 0.000 -0.342 -1.110) 1.162 6.400 ( -0.000 -3.563 -0.578) 3.610 6.452 ( 0.000 1.130 -2.604) 2.839 7.561 ( -0.000 -7.994 -2.006) 8.242 8.177 ( -0.000 -6.331 1.526) 6.512 8.179 ( -0.000 -5.103 3.208) 6.028 8.731 ( -0.000 -0.518 0.299) 0.598 8.750 ( -0.000 -3.520 -1.325) 3.761 8.769 ( 0.000 6.944 1.185) 7.044 11.391 ( -0.000 -7.258 0.192) 7.260 11.458 ( -0.000 0.019 0.374) 0.374 12.282 ( -0.000 -6.988 7.318) 10.119 12.597 ( 0.000 -2.362 -5.311) 5.813 13.795 ( 0.000 8.778 -0.558) 8.796 14.922 ( 0.000 0.999 -1.041) 1.443 15.097 ( 0.000 -0.083 -0.645) 0.650 15.179 ( 0.000 7.416 -2.280) 7.759 15.586 ( 0.000 2.065 0.621) 2.156 15.594 ( 0.000 2.418 -0.620) 2.496 16.347 ( -0.000 -1.749 0.400) 1.794 16.412 ( -0.000 -1.096 -0.416) 1.172 16.453 ( 0.000 2.988 0.208) 2.995 16.699 ( 0.000 2.104 -0.972) 2.317 16.720 ( 0.000 4.683 0.203) 4.687 17.232 ( 0.000 1.114 -1.006) 1.501 17.251 ( 0.000 3.485 0.413) 3.509 17.517 ( -0.000 -4.875 0.571) 4.908 18.322 ( -0.000 -2.341 2.317) 3.294 18.335 ( -0.000 -1.517 0.949) 1.790 18.410 ( -0.000 -0.453 0.259) 0.522 19.491 ( -0.000 -9.773 0.620) 9.793 ======================= Grid point 470 (115/116) ======================= q-point: (-0.40 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( 12.737 22.061 0.000) 25.474 2.383 ( 18.048 31.260 0.000) 36.097 2.917 ( -3.797 -6.577 0.000) 7.594 3.727 ( 1.216 2.106 0.000) 2.432 4.126 ( -4.490 -7.777 -0.000) 8.980 4.210 ( -0.919 -1.592 0.000) 1.838 4.631 ( 10.377 17.973 -0.000) 20.754 4.683 ( 12.266 21.246 0.000) 24.533 5.426 ( 0.163 0.283 0.000) 0.327 6.340 ( -2.856 -4.948 0.000) 5.713 6.458 ( 0.982 1.701 0.000) 1.964 7.427 ( -5.169 -8.954 0.000) 10.339 8.065 ( -5.366 -9.293 0.000) 10.731 8.088 ( -4.960 -8.591 0.000) 9.921 8.625 ( -4.872 -8.439 0.000) 9.744 8.778 ( 1.630 2.823 0.000) 3.260 8.904 ( 5.877 10.179 0.000) 11.754 11.257 ( -6.180 -10.705 0.000) 12.361 11.457 ( -0.247 -0.428 0.000) 0.494 12.197 ( -4.201 -7.276 0.000) 8.402 12.543 ( -1.573 -2.724 -0.000) 3.146 13.952 ( 7.194 12.460 0.000) 14.387 14.939 ( 1.024 1.773 0.000) 2.047 15.103 ( 0.348 0.602 0.000) 0.695 15.274 ( 3.973 6.882 0.000) 7.947 15.624 ( 1.447 2.506 0.000) 2.894 15.638 ( 2.155 3.733 -0.000) 4.311 16.316 ( -1.539 -2.666 0.000) 3.079 16.395 ( -0.681 -1.179 0.000) 1.361 16.504 ( 1.808 3.132 0.000) 3.617 16.733 ( 2.006 3.474 0.000) 4.012 16.788 ( 2.405 4.165 0.000) 4.810 17.243 ( 0.817 1.416 0.000) 1.635 17.311 ( 1.612 2.793 0.000) 3.225 17.444 ( -2.158 -3.738 0.000) 4.316 18.294 ( -1.738 -3.010 0.000) 3.475 18.302 ( -1.648 -2.854 0.000) 3.296 18.403 ( -0.282 -0.488 0.000) 0.564 19.324 ( -7.380 -12.783 0.000) 14.761 ======================= Grid point 580 (116/116) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 58 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( -0.000 0.000 0.000) 0.000 1.565 ( -0.000 0.000 0.000) 0.000 3.082 ( -0.000 0.000 0.000) 0.000 3.811 ( -0.000 0.000 0.000) 0.000 4.142 ( -0.000 0.000 0.000) 0.000 4.142 ( -0.000 0.000 0.000) 0.000 4.320 ( -0.000 0.000 0.000) 0.000 4.320 ( -0.000 0.000 0.000) 0.000 5.429 ( -0.000 0.000 0.000) 0.000 6.432 ( -0.000 0.000 0.000) 0.000 6.432 ( -0.000 0.000 0.000) 0.000 7.632 ( -0.000 0.000 0.000) 0.000 8.239 ( -0.000 0.000 0.000) 0.000 8.239 ( -0.000 0.000 0.000) 0.000 8.708 ( -0.000 0.000 0.000) 0.000 8.708 ( -0.000 0.000 0.000) 0.000 8.807 ( -0.000 0.000 0.000) 0.000 11.459 ( -0.000 0.000 0.000) 0.000 11.459 ( -0.000 0.000 0.000) 0.000 12.385 ( -0.000 0.000 0.000) 0.000 12.595 ( 0.000 -0.000 -0.000) 0.000 13.711 ( -0.000 0.000 0.000) 0.000 14.910 ( -0.000 0.000 0.000) 0.000 15.095 ( -0.000 0.000 0.000) 0.000 15.095 ( -0.000 0.000 0.000) 0.000 15.568 ( -0.000 0.000 0.000) 0.000 15.568 ( -0.000 0.000 0.000) 0.000 16.363 ( -0.000 0.000 0.000) 0.000 16.421 ( -0.000 0.000 0.000) 0.000 16.421 ( -0.000 0.000 0.000) 0.000 16.677 ( -0.000 0.000 0.000) 0.000 16.677 ( -0.000 0.000 0.000) 0.000 17.218 ( -0.000 0.000 0.000) 0.000 17.218 ( -0.000 0.000 0.000) 0.000 17.567 ( -0.000 0.000 0.000) 0.000 18.352 ( -0.000 0.000 0.000) 0.000 18.352 ( -0.000 0.000 0.000) 0.000 18.415 ( -0.000 0.000 0.000) 0.000 19.588 ( -0.000 0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/39000 10.0 4735.595 4735.595 7235.384 0.000 -0.000 0.000 3/39000 20.0 4297.818 4297.818 2485.758 0.000 -0.000 0.000 3/39000 30.0 2528.478 2528.478 1135.807 0.000 -0.000 0.000 3/39000 40.0 1420.213 1420.213 576.925 0.000 -0.000 0.000 3/39000 50.0 847.291 847.291 324.687 0.000 -0.000 0.000 3/39000 60.0 550.200 550.200 202.243 0.000 -0.000 0.000 3/39000 70.0 385.661 385.661 137.450 0.000 -0.000 0.000 3/39000 80.0 287.307 287.307 100.117 0.000 -0.000 0.000 3/39000 90.0 224.294 224.294 76.906 0.000 -0.000 0.000 3/39000 100.0 181.511 181.511 61.516 0.000 -0.000 0.000 3/39000 110.0 151.057 151.057 50.760 0.000 -0.000 0.000 3/39000 120.0 128.536 128.536 42.916 0.000 -0.000 0.000 3/39000 130.0 111.359 111.359 36.996 0.000 -0.000 0.000 3/39000 140.0 97.920 97.920 32.402 0.000 -0.000 0.000 3/39000 150.0 87.181 87.181 28.753 0.000 -0.000 0.000 3/39000 160.0 78.444 78.444 25.800 0.000 -0.000 0.000 3/39000 170.0 71.225 71.225 23.369 0.000 -0.000 0.000 3/39000 180.0 65.180 65.180 21.340 0.000 -0.000 0.000 3/39000 190.0 60.056 60.056 19.626 0.000 -0.000 0.000 3/39000 200.0 55.667 55.667 18.161 0.000 -0.000 0.000 3/39000 210.0 51.871 51.871 16.898 0.000 -0.000 0.000 3/39000 220.0 48.560 48.560 15.798 0.000 -0.000 0.000 3/39000 230.0 45.650 45.650 14.833 0.000 -0.000 0.000 3/39000 240.0 43.074 43.074 13.981 0.000 -0.000 0.000 3/39000 250.0 40.778 40.778 13.223 0.000 -0.000 0.000 3/39000 260.0 38.720 38.720 12.544 0.000 -0.000 0.000 3/39000 270.0 36.865 36.865 11.934 0.000 -0.000 0.000 3/39000 280.0 35.186 35.186 11.382 0.000 -0.000 0.000 3/39000 290.0 33.657 33.657 10.880 0.000 -0.000 0.000 3/39000 300.0 32.261 32.261 10.422 0.000 -0.000 0.000 3/39000 310.0 30.980 30.980 10.003 0.000 -0.000 0.000 3/39000 320.0 29.801 29.801 9.617 0.000 -0.000 0.000 3/39000 330.0 28.712 28.712 9.262 0.000 -0.000 0.000 3/39000 340.0 27.703 27.703 8.932 0.000 -0.000 0.000 3/39000 350.0 26.766 26.766 8.627 0.000 -0.000 0.000 3/39000 360.0 25.892 25.892 8.342 0.000 -0.000 0.000 3/39000 370.0 25.076 25.076 8.076 0.000 -0.000 0.000 3/39000 380.0 24.312 24.312 7.828 0.000 -0.000 0.000 3/39000 390.0 23.595 23.595 7.595 0.000 -0.000 0.000 3/39000 400.0 22.921 22.921 7.376 0.000 -0.000 0.000 3/39000 410.0 22.286 22.286 7.170 0.000 -0.000 0.000 3/39000 420.0 21.687 21.687 6.975 0.000 -0.000 0.000 3/39000 430.0 21.120 21.120 6.792 0.000 -0.000 0.000 3/39000 440.0 20.583 20.583 6.618 0.000 -0.000 0.000 3/39000 450.0 20.074 20.074 6.453 0.000 -0.000 0.000 3/39000 460.0 19.590 19.590 6.296 0.000 -0.000 0.000 3/39000 470.0 19.130 19.130 6.147 0.000 -0.000 0.000 3/39000 480.0 18.692 18.692 6.006 0.000 -0.000 0.000 3/39000 490.0 18.275 18.275 5.871 0.000 -0.000 0.000 3/39000 500.0 17.876 17.876 5.742 0.000 -0.000 0.000 3/39000 510.0 17.495 17.495 5.619 0.000 -0.000 0.000 3/39000 520.0 17.130 17.130 5.501 0.000 -0.000 0.000 3/39000 530.0 16.781 16.781 5.388 0.000 -0.000 0.000 3/39000 540.0 16.446 16.446 5.280 0.000 -0.000 0.000 3/39000 550.0 16.124 16.124 5.176 0.000 -0.000 0.000 3/39000 560.0 15.816 15.816 5.077 0.000 -0.000 0.000 3/39000 570.0 15.519 15.519 4.981 0.000 -0.000 0.000 3/39000 580.0 15.233 15.233 4.889 0.000 -0.000 0.000 3/39000 590.0 14.959 14.959 4.800 0.000 -0.000 0.000 3/39000 600.0 14.694 14.694 4.715 0.000 -0.000 0.000 3/39000 610.0 14.438 14.438 4.633 0.000 -0.000 0.000 3/39000 620.0 14.192 14.192 4.553 0.000 -0.000 0.000 3/39000 630.0 13.954 13.954 4.477 0.000 -0.000 0.000 3/39000 640.0 13.724 13.724 4.403 0.000 -0.000 0.000 3/39000 650.0 13.502 13.502 4.331 0.000 -0.000 0.000 3/39000 660.0 13.287 13.287 4.262 0.000 -0.000 0.000 3/39000 670.0 13.079 13.079 4.195 0.000 -0.000 0.000 3/39000 680.0 12.877 12.877 4.130 0.000 -0.000 0.000 3/39000 690.0 12.682 12.682 4.067 0.000 -0.000 0.000 3/39000 700.0 12.493 12.493 4.006 0.000 -0.000 0.000 3/39000 710.0 12.309 12.309 3.947 0.000 -0.000 0.000 3/39000 720.0 12.131 12.131 3.890 0.000 -0.000 0.000 3/39000 730.0 11.958 11.958 3.834 0.000 -0.000 0.000 3/39000 740.0 11.790 11.790 3.780 0.000 -0.000 0.000 3/39000 750.0 11.627 11.627 3.728 0.000 -0.000 0.000 3/39000 760.0 11.468 11.468 3.677 0.000 -0.000 0.000 3/39000 770.0 11.314 11.314 3.627 0.000 -0.000 0.000 3/39000 780.0 11.164 11.164 3.579 0.000 -0.000 0.000 3/39000 790.0 11.018 11.018 3.532 0.000 -0.000 0.000 3/39000 800.0 10.875 10.875 3.486 0.000 -0.000 0.000 3/39000 810.0 10.737 10.737 3.442 0.000 -0.000 0.000 3/39000 820.0 10.602 10.602 3.398 0.000 -0.000 0.000 3/39000 830.0 10.470 10.470 3.356 0.000 -0.000 0.000 3/39000 840.0 10.342 10.342 3.315 0.000 -0.000 0.000 3/39000 850.0 10.216 10.216 3.275 0.000 -0.000 0.000 3/39000 860.0 10.094 10.094 3.235 0.000 -0.000 0.000 3/39000 870.0 9.975 9.975 3.197 0.000 -0.000 0.000 3/39000 880.0 9.859 9.859 3.160 0.000 -0.000 0.000 3/39000 890.0 9.745 9.745 3.123 0.000 -0.000 0.000 3/39000 900.0 9.634 9.634 3.088 0.000 -0.000 0.000 3/39000 910.0 9.525 9.525 3.053 0.000 -0.000 0.000 3/39000 920.0 9.419 9.419 3.019 0.000 -0.000 0.000 3/39000 930.0 9.316 9.316 2.985 0.000 -0.000 0.000 3/39000 940.0 9.214 9.214 2.953 0.000 -0.000 0.000 3/39000 950.0 9.115 9.115 2.921 0.000 -0.000 0.000 3/39000 960.0 9.018 9.018 2.890 0.000 -0.000 0.000 3/39000 970.0 8.923 8.923 2.859 0.000 -0.000 0.000 3/39000 980.0 8.830 8.830 2.830 0.000 -0.000 0.000 3/39000 990.0 8.739 8.739 2.800 0.000 -0.000 0.000 3/39000 1000.0 8.650 8.650 2.772 0.000 -0.000 0.000 3/39000 Thermal conductivity related properties were written into "kappa-m101010.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:59:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|