----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 04:27:04]------------------------- 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 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.586232995000000 -3.852188724999999 0.000000000000000 b 5.586232995000000 3.852188724999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.827649840000000 Atomic positions (fractional): *1 Cs 0.48375694996457 0.19350366260851 0.75000000000000 132.905 2 Cs 0.19350366260851 0.48375694996457 0.25000000000000 132.905 3 Cs 0.51624305003543 0.80649633739149 0.25000000000000 132.905 4 Cs 0.80649633739149 0.51624305003543 0.75000000000000 132.905 *5 Sn 0.91546931323462 0.08453068676538 0.25000000000000 118.710 6 Sn 0.08453068676538 0.91546931323462 0.75000000000000 118.710 *7 O 0.12014536960714 0.12014536960714 0.00000000000000 15.999 8 O 0.12014536960714 0.12014536960714 0.50000000000000 15.999 *9 O 0.33807630996784 0.66192369003216 0.75000000000000 15.999 10 O 0.66192369003216 0.33807630996784 0.25000000000000 15.999 11 O 0.87985463039286 0.87985463039286 0.00000000000000 15.999 12 O 0.87985463039286 0.87985463039286 0.50000000000000 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 11.172465989999999 0.000000000000000 0.000000000000000 b 0.000000000000000 7.704377449999998 0.000000000000000 c 0.000000000000000 0.000000000000000 5.827649840000000 Atomic positions (fractional): *1 Cs 0.33863030628654 0.85487335632197 0.75000000000000 132.905 > 1 2 Cs 0.33863030628654 0.14512664367803 0.25000000000000 132.905 > 2 3 Cs 0.66136969371346 0.14512664367803 0.25000000000000 132.905 > 3 4 Cs 0.66136969371346 0.85487335632197 0.75000000000000 132.905 > 4 5 Cs 0.83863030628654 0.35487335632197 0.75000000000000 132.905 > 1 6 Cs 0.83863030628654 0.64512664367803 0.25000000000000 132.905 > 2 7 Cs 0.16136969371346 0.64512664367803 0.25000000000000 132.905 > 3 8 Cs 0.16136969371346 0.35487335632197 0.75000000000000 132.905 > 4 *9 Sn 0.50000000000000 0.58453068676538 0.25000000000000 118.710 > 5 10 Sn 0.50000000000000 0.41546931323462 0.75000000000000 118.710 > 6 11 Sn 0.00000000000000 0.08453068676538 0.25000000000000 118.710 > 5 12 Sn 0.00000000000000 0.91546931323462 0.75000000000000 118.710 > 6 *13 O 0.12014536960714 0.00000000000000 0.00000000000000 15.999 > 7 14 O 0.12014536960714 0.00000000000000 0.50000000000000 15.999 > 8 *15 O 0.50000000000000 0.16192369003216 0.75000000000000 15.999 > 9 16 O 0.50000000000000 0.83807630996784 0.25000000000000 15.999 > 10 17 O 0.87985463039286 0.00000000000000 0.00000000000000 15.999 > 11 18 O 0.87985463039286 0.00000000000000 0.50000000000000 15.999 > 12 19 O 0.62014536960714 0.50000000000000 0.00000000000000 15.999 > 7 20 O 0.62014536960714 0.50000000000000 0.50000000000000 15.999 > 8 21 O 0.00000000000000 0.66192369003216 0.75000000000000 15.999 > 9 22 O 0.00000000000000 0.33807630996784 0.25000000000000 15.999 > 10 23 O 0.37985463039286 0.50000000000000 0.00000000000000 15.999 > 11 24 O 0.37985463039286 0.50000000000000 0.50000000000000 15.999 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.172465989999999 0.000000000000000 0.000000000000000 b 0.000000000000000 15.408754899999996 0.000000000000000 c 0.000000000000000 0.000000000000000 11.655299680000001 Atomic positions (fractional): *1 Cs 0.33863030628654 0.42743667816099 0.37500000000000 132.905 > 1 2 Cs 0.33863030628654 0.92743667816099 0.37500000000000 132.905 > 1 3 Cs 0.33863030628654 0.42743667816099 0.87500000000000 132.905 > 1 4 Cs 0.33863030628654 0.92743667816099 0.87500000000000 132.905 > 1 5 Cs 0.33863030628654 0.07256332183901 0.12500000000000 132.905 > 2 6 Cs 0.33863030628654 0.57256332183901 0.12500000000000 132.905 > 2 7 Cs 0.33863030628654 0.07256332183901 0.62500000000000 132.905 > 2 8 Cs 0.33863030628654 0.57256332183901 0.62500000000000 132.905 > 2 9 Cs 0.66136969371346 0.07256332183901 0.12500000000000 132.905 > 3 10 Cs 0.66136969371346 0.57256332183901 0.12500000000000 132.905 > 3 11 Cs 0.66136969371346 0.07256332183901 0.62500000000000 132.905 > 3 12 Cs 0.66136969371346 0.57256332183901 0.62500000000000 132.905 > 3 13 Cs 0.66136969371346 0.42743667816099 0.37500000000000 132.905 > 4 14 Cs 0.66136969371346 0.92743667816099 0.37500000000000 132.905 > 4 15 Cs 0.66136969371346 0.42743667816099 0.87500000000000 132.905 > 4 16 Cs 0.66136969371346 0.92743667816099 0.87500000000000 132.905 > 4 17 Cs 0.83863030628654 0.17743667816099 0.37500000000000 132.905 > 1 18 Cs 0.83863030628654 0.67743667816099 0.37500000000000 132.905 > 1 19 Cs 0.83863030628654 0.17743667816099 0.87500000000000 132.905 > 1 20 Cs 0.83863030628654 0.67743667816099 0.87500000000000 132.905 > 1 21 Cs 0.83863030628654 0.32256332183901 0.12500000000000 132.905 > 2 22 Cs 0.83863030628654 0.82256332183901 0.12500000000000 132.905 > 2 23 Cs 0.83863030628654 0.32256332183901 0.62500000000000 132.905 > 2 24 Cs 0.83863030628654 0.82256332183901 0.62500000000000 132.905 > 2 25 Cs 0.16136969371346 0.32256332183901 0.12500000000000 132.905 > 3 26 Cs 0.16136969371346 0.82256332183901 0.12500000000000 132.905 > 3 27 Cs 0.16136969371346 0.32256332183901 0.62500000000000 132.905 > 3 28 Cs 0.16136969371346 0.82256332183901 0.62500000000000 132.905 > 3 29 Cs 0.16136969371346 0.17743667816099 0.37500000000000 132.905 > 4 30 Cs 0.16136969371346 0.67743667816099 0.37500000000000 132.905 > 4 31 Cs 0.16136969371346 0.17743667816099 0.87500000000000 132.905 > 4 32 Cs 0.16136969371346 0.67743667816099 0.87500000000000 132.905 > 4 *33 Sn 0.50000000000000 0.29226534338269 0.12500000000000 118.710 > 5 34 Sn 0.50000000000000 0.79226534338269 0.12500000000000 118.710 > 5 35 Sn 0.50000000000000 0.29226534338269 0.62500000000000 118.710 > 5 36 Sn 0.50000000000000 0.79226534338269 0.62500000000000 118.710 > 5 37 Sn 0.50000000000000 0.20773465661731 0.37500000000000 118.710 > 6 38 Sn 0.50000000000000 0.70773465661731 0.37500000000000 118.710 > 6 39 Sn 0.50000000000000 0.20773465661731 0.87500000000000 118.710 > 6 40 Sn 0.50000000000000 0.70773465661731 0.87500000000000 118.710 > 6 41 Sn 0.00000000000000 0.04226534338269 0.12500000000000 118.710 > 5 42 Sn 0.00000000000000 0.54226534338269 0.12500000000000 118.710 > 5 43 Sn 0.00000000000000 0.04226534338269 0.62500000000000 118.710 > 5 44 Sn 0.00000000000000 0.54226534338269 0.62500000000000 118.710 > 5 45 Sn 0.00000000000000 0.45773465661731 0.37500000000000 118.710 > 6 46 Sn 0.00000000000000 0.95773465661731 0.37500000000000 118.710 > 6 47 Sn 0.00000000000000 0.45773465661731 0.87500000000000 118.710 > 6 48 Sn 0.00000000000000 0.95773465661731 0.87500000000000 118.710 > 6 *49 O 0.12014536960714 0.00000000000000 0.00000000000000 15.999 > 7 50 O 0.12014536960714 0.50000000000000 0.00000000000000 15.999 > 7 51 O 0.12014536960714 0.00000000000000 0.50000000000000 15.999 > 7 52 O 0.12014536960714 0.50000000000000 0.50000000000000 15.999 > 7 53 O 0.12014536960714 0.00000000000000 0.25000000000000 15.999 > 8 54 O 0.12014536960714 0.50000000000000 0.25000000000000 15.999 > 8 55 O 0.12014536960714 0.00000000000000 0.75000000000000 15.999 > 8 56 O 0.12014536960714 0.50000000000000 0.75000000000000 15.999 > 8 *57 O 0.50000000000000 0.08096184501608 0.37500000000000 15.999 > 9 58 O 0.50000000000000 0.58096184501608 0.37500000000000 15.999 > 9 59 O 0.50000000000000 0.08096184501608 0.87500000000000 15.999 > 9 60 O 0.50000000000000 0.58096184501608 0.87500000000000 15.999 > 9 61 O 0.50000000000000 0.41903815498392 0.12500000000000 15.999 > 10 62 O 0.50000000000000 0.91903815498392 0.12500000000000 15.999 > 10 63 O 0.50000000000000 0.41903815498392 0.62500000000000 15.999 > 10 64 O 0.50000000000000 0.91903815498392 0.62500000000000 15.999 > 10 65 O 0.87985463039286 0.00000000000000 0.00000000000000 15.999 > 11 66 O 0.87985463039286 0.50000000000000 0.00000000000000 15.999 > 11 67 O 0.87985463039286 0.00000000000000 0.50000000000000 15.999 > 11 68 O 0.87985463039286 0.50000000000000 0.50000000000000 15.999 > 11 69 O 0.87985463039286 0.00000000000000 0.25000000000000 15.999 > 12 70 O 0.87985463039286 0.50000000000000 0.25000000000000 15.999 > 12 71 O 0.87985463039286 0.00000000000000 0.75000000000000 15.999 > 12 72 O 0.87985463039286 0.50000000000000 0.75000000000000 15.999 > 12 73 O 0.62014536960714 0.25000000000000 0.00000000000000 15.999 > 7 74 O 0.62014536960714 0.75000000000000 0.00000000000000 15.999 > 7 75 O 0.62014536960714 0.25000000000000 0.50000000000000 15.999 > 7 76 O 0.62014536960714 0.75000000000000 0.50000000000000 15.999 > 7 77 O 0.62014536960714 0.25000000000000 0.25000000000000 15.999 > 8 78 O 0.62014536960714 0.75000000000000 0.25000000000000 15.999 > 8 79 O 0.62014536960714 0.25000000000000 0.75000000000000 15.999 > 8 80 O 0.62014536960714 0.75000000000000 0.75000000000000 15.999 > 8 81 O 0.00000000000000 0.33096184501608 0.37500000000000 15.999 > 9 82 O 0.00000000000000 0.83096184501608 0.37500000000000 15.999 > 9 83 O 0.00000000000000 0.33096184501608 0.87500000000000 15.999 > 9 84 O 0.00000000000000 0.83096184501608 0.87500000000000 15.999 > 9 85 O 0.00000000000000 0.16903815498392 0.12500000000000 15.999 > 10 86 O 0.00000000000000 0.66903815498392 0.12500000000000 15.999 > 10 87 O 0.00000000000000 0.16903815498392 0.62500000000000 15.999 > 10 88 O 0.00000000000000 0.66903815498392 0.62500000000000 15.999 > 10 89 O 0.37985463039286 0.25000000000000 0.00000000000000 15.999 > 11 90 O 0.37985463039286 0.75000000000000 0.00000000000000 15.999 > 11 91 O 0.37985463039286 0.25000000000000 0.50000000000000 15.999 > 11 92 O 0.37985463039286 0.75000000000000 0.50000000000000 15.999 > 11 93 O 0.37985463039286 0.25000000000000 0.25000000000000 15.999 > 12 94 O 0.37985463039286 0.75000000000000 0.25000000000000 15.999 > 12 95 O 0.37985463039286 0.25000000000000 0.75000000000000 15.999 > 12 96 O 0.37985463039286 0.75000000000000 0.75000000000000 15.999 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5510812 0.0000000 0.0000000 0.0000000 3.6260266 0.0000000 0.0000000 0.0000000 3.8600272 -------------------------- Born effective charges -------------------------- 1 Cs 1.4242645 -0.1390516 0.0000000 -0.0518793 1.5001212 0.0000000 0.0000000 0.0000000 1.2589687 2 Cs 1.4242645 0.1390516 0.0000000 0.0518793 1.5001212 0.0000000 0.0000000 0.0000000 1.2589687 3 Cs 1.4242645 -0.1390516 0.0000000 -0.0518793 1.5001212 0.0000000 0.0000000 0.0000000 1.2589687 4 Cs 1.4242645 0.1390516 0.0000000 0.0518793 1.5001212 0.0000000 0.0000000 0.0000000 1.2589687 5 Sn 2.5990552 0.0000000 0.0000000 0.0000000 2.9452445 0.0000000 0.0000000 0.0000000 4.1936824 6 Sn 2.5990552 0.0000000 0.0000000 0.0000000 2.9452445 0.0000000 0.0000000 0.0000000 4.1936824 7 O -1.9358444 0.0000000 0.0000000 0.0000000 -1.7037477 -0.3205404 0.0000000 -0.3986693 -2.4685209 8 O -1.9358444 0.0000000 0.0000000 0.0000000 -1.7037477 0.3205404 0.0000000 0.3986693 -2.4685209 9 O -1.5758954 0.0000000 0.0000000 0.0000000 -2.5379915 0.0000000 0.0000000 0.0000000 -1.7745779 10 O -1.5758954 0.0000000 0.0000000 0.0000000 -2.5379915 0.0000000 0.0000000 0.0000000 -1.7745779 11 O -1.9358444 0.0000000 0.0000000 0.0000000 -1.7037477 -0.3205404 0.0000000 -0.3986693 -2.4685209 12 O -1.9358444 0.0000000 0.0000000 0.0000000 -1.7037477 0.3205404 0.0000000 0.3986693 -2.4685209 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 6336/6336 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 750 Number of blocks in projector: 750 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 148 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 126 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 126 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 126 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 124 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 100 Use standard eigh solver. Tree of FC basis block matrices: - (750, 734), data: False |-- (100, 100), data: True |-- (124, 122), data: True |-- (126, 122), data: True |-- (126, 122), data: True |-- (126, 122), data: True |-- (148, 146), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 240 - Time: 0.575 Solver_block: 200 / 240 - Time: 0.583 Solver_block: 240 / 240 - Time: 0.280 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.452 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 288/288 Permutation basis: 6336/6336 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 750 Number of blocks in projector: 750 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 148 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 126 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 126 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 126 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 124 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 100 Use standard eigh solver. Tree of FC basis block matrices: - (750, 734), data: False |-- (100, 100), data: True |-- (124, 122), data: True |-- (126, 122), data: True |-- (126, 122), data: True |-- (126, 122), data: True |-- (148, 146), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 04:27:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 04:27:14]------------------------- 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 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.586232995000000 -3.852188724999999 0.000000000000000 b 5.586232995000000 3.852188724999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.827649840000000 Atomic positions (fractional): 1 Cs 0.48375694996457 0.19350366260851 0.75000000000000 132.905 2 Cs 0.19350366260851 0.48375694996457 0.25000000000000 132.905 3 Cs 0.51624305003543 0.80649633739149 0.25000000000000 132.905 4 Cs 0.80649633739149 0.51624305003543 0.75000000000000 132.905 5 Sn 0.91546931323462 0.08453068676538 0.25000000000000 118.710 6 Sn 0.08453068676538 0.91546931323462 0.75000000000000 118.710 7 O 0.12014536960714 0.12014536960714 0.00000000000000 15.999 8 O 0.12014536960714 0.12014536960714 0.50000000000000 15.999 9 O 0.33807630996784 0.66192369003216 0.75000000000000 15.999 10 O 0.66192369003216 0.33807630996784 0.25000000000000 15.999 11 O 0.87985463039286 0.87985463039286 0.00000000000000 15.999 12 O 0.87985463039286 0.87985463039286 0.50000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.172465989999999 0.000000000000000 0.000000000000000 b 0.000000000000000 15.408754899999996 0.000000000000000 c 0.000000000000000 0.000000000000000 11.655299680000001 Atomic positions (fractional): 1 Cs 0.33863030628654 0.42743667816099 0.37500000000000 132.905 > 1 2 Cs 0.33863030628654 0.92743667816099 0.37500000000000 132.905 > 1 3 Cs 0.33863030628654 0.42743667816099 0.87500000000000 132.905 > 1 4 Cs 0.33863030628654 0.92743667816099 0.87500000000000 132.905 > 1 5 Cs 0.33863030628654 0.07256332183901 0.12500000000000 132.905 > 5 6 Cs 0.33863030628654 0.57256332183901 0.12500000000000 132.905 > 5 7 Cs 0.33863030628654 0.07256332183901 0.62500000000000 132.905 > 5 8 Cs 0.33863030628654 0.57256332183901 0.62500000000000 132.905 > 5 9 Cs 0.66136969371346 0.07256332183901 0.12500000000000 132.905 > 9 10 Cs 0.66136969371346 0.57256332183901 0.12500000000000 132.905 > 9 11 Cs 0.66136969371346 0.07256332183901 0.62500000000000 132.905 > 9 12 Cs 0.66136969371346 0.57256332183901 0.62500000000000 132.905 > 9 13 Cs 0.66136969371346 0.42743667816099 0.37500000000000 132.905 > 13 14 Cs 0.66136969371346 0.92743667816099 0.37500000000000 132.905 > 13 15 Cs 0.66136969371346 0.42743667816099 0.87500000000000 132.905 > 13 16 Cs 0.66136969371346 0.92743667816099 0.87500000000000 132.905 > 13 17 Cs 0.83863030628654 0.17743667816099 0.37500000000000 132.905 > 1 18 Cs 0.83863030628654 0.67743667816099 0.37500000000000 132.905 > 1 19 Cs 0.83863030628654 0.17743667816099 0.87500000000000 132.905 > 1 20 Cs 0.83863030628654 0.67743667816099 0.87500000000000 132.905 > 1 21 Cs 0.83863030628654 0.32256332183901 0.12500000000000 132.905 > 5 22 Cs 0.83863030628654 0.82256332183901 0.12500000000000 132.905 > 5 23 Cs 0.83863030628654 0.32256332183901 0.62500000000000 132.905 > 5 24 Cs 0.83863030628654 0.82256332183901 0.62500000000000 132.905 > 5 25 Cs 0.16136969371346 0.32256332183901 0.12500000000000 132.905 > 9 26 Cs 0.16136969371346 0.82256332183901 0.12500000000000 132.905 > 9 27 Cs 0.16136969371346 0.32256332183901 0.62500000000000 132.905 > 9 28 Cs 0.16136969371346 0.82256332183901 0.62500000000000 132.905 > 9 29 Cs 0.16136969371346 0.17743667816099 0.37500000000000 132.905 > 13 30 Cs 0.16136969371346 0.67743667816099 0.37500000000000 132.905 > 13 31 Cs 0.16136969371346 0.17743667816099 0.87500000000000 132.905 > 13 32 Cs 0.16136969371346 0.67743667816099 0.87500000000000 132.905 > 13 33 Sn 0.50000000000000 0.29226534338269 0.12500000000000 118.710 > 33 34 Sn 0.50000000000000 0.79226534338269 0.12500000000000 118.710 > 33 35 Sn 0.50000000000000 0.29226534338269 0.62500000000000 118.710 > 33 36 Sn 0.50000000000000 0.79226534338269 0.62500000000000 118.710 > 33 37 Sn 0.50000000000000 0.20773465661731 0.37500000000000 118.710 > 37 38 Sn 0.50000000000000 0.70773465661731 0.37500000000000 118.710 > 37 39 Sn 0.50000000000000 0.20773465661731 0.87500000000000 118.710 > 37 40 Sn 0.50000000000000 0.70773465661731 0.87500000000000 118.710 > 37 41 Sn 0.00000000000000 0.04226534338269 0.12500000000000 118.710 > 33 42 Sn 0.00000000000000 0.54226534338269 0.12500000000000 118.710 > 33 43 Sn 0.00000000000000 0.04226534338269 0.62500000000000 118.710 > 33 44 Sn 0.00000000000000 0.54226534338269 0.62500000000000 118.710 > 33 45 Sn 0.00000000000000 0.45773465661731 0.37500000000000 118.710 > 37 46 Sn 0.00000000000000 0.95773465661731 0.37500000000000 118.710 > 37 47 Sn 0.00000000000000 0.45773465661731 0.87500000000000 118.710 > 37 48 Sn 0.00000000000000 0.95773465661731 0.87500000000000 118.710 > 37 49 O 0.12014536960714 0.00000000000000 0.00000000000000 15.999 > 49 50 O 0.12014536960714 0.50000000000000 0.00000000000000 15.999 > 49 51 O 0.12014536960714 0.00000000000000 0.50000000000000 15.999 > 49 52 O 0.12014536960714 0.50000000000000 0.50000000000000 15.999 > 49 53 O 0.12014536960714 0.00000000000000 0.25000000000000 15.999 > 53 54 O 0.12014536960714 0.50000000000000 0.25000000000000 15.999 > 53 55 O 0.12014536960714 0.00000000000000 0.75000000000000 15.999 > 53 56 O 0.12014536960714 0.50000000000000 0.75000000000000 15.999 > 53 57 O 0.50000000000000 0.08096184501608 0.37500000000000 15.999 > 57 58 O 0.50000000000000 0.58096184501608 0.37500000000000 15.999 > 57 59 O 0.50000000000000 0.08096184501608 0.87500000000000 15.999 > 57 60 O 0.50000000000000 0.58096184501608 0.87500000000000 15.999 > 57 61 O 0.50000000000000 0.41903815498392 0.12500000000000 15.999 > 61 62 O 0.50000000000000 0.91903815498392 0.12500000000000 15.999 > 61 63 O 0.50000000000000 0.41903815498392 0.62500000000000 15.999 > 61 64 O 0.50000000000000 0.91903815498392 0.62500000000000 15.999 > 61 65 O 0.87985463039286 0.00000000000000 0.00000000000000 15.999 > 65 66 O 0.87985463039286 0.50000000000000 0.00000000000000 15.999 > 65 67 O 0.87985463039286 0.00000000000000 0.50000000000000 15.999 > 65 68 O 0.87985463039286 0.50000000000000 0.50000000000000 15.999 > 65 69 O 0.87985463039286 0.00000000000000 0.25000000000000 15.999 > 69 70 O 0.87985463039286 0.50000000000000 0.25000000000000 15.999 > 69 71 O 0.87985463039286 0.00000000000000 0.75000000000000 15.999 > 69 72 O 0.87985463039286 0.50000000000000 0.75000000000000 15.999 > 69 73 O 0.62014536960714 0.25000000000000 0.00000000000000 15.999 > 49 74 O 0.62014536960714 0.75000000000000 0.00000000000000 15.999 > 49 75 O 0.62014536960714 0.25000000000000 0.50000000000000 15.999 > 49 76 O 0.62014536960714 0.75000000000000 0.50000000000000 15.999 > 49 77 O 0.62014536960714 0.25000000000000 0.25000000000000 15.999 > 53 78 O 0.62014536960714 0.75000000000000 0.25000000000000 15.999 > 53 79 O 0.62014536960714 0.25000000000000 0.75000000000000 15.999 > 53 80 O 0.62014536960714 0.75000000000000 0.75000000000000 15.999 > 53 81 O 0.00000000000000 0.33096184501608 0.37500000000000 15.999 > 57 82 O 0.00000000000000 0.83096184501608 0.37500000000000 15.999 > 57 83 O 0.00000000000000 0.33096184501608 0.87500000000000 15.999 > 57 84 O 0.00000000000000 0.83096184501608 0.87500000000000 15.999 > 57 85 O 0.00000000000000 0.16903815498392 0.12500000000000 15.999 > 61 86 O 0.00000000000000 0.66903815498392 0.12500000000000 15.999 > 61 87 O 0.00000000000000 0.16903815498392 0.62500000000000 15.999 > 61 88 O 0.00000000000000 0.66903815498392 0.62500000000000 15.999 > 61 89 O 0.37985463039286 0.25000000000000 0.00000000000000 15.999 > 65 90 O 0.37985463039286 0.75000000000000 0.00000000000000 15.999 > 65 91 O 0.37985463039286 0.25000000000000 0.50000000000000 15.999 > 65 92 O 0.37985463039286 0.75000000000000 0.50000000000000 15.999 > 65 93 O 0.37985463039286 0.25000000000000 0.25000000000000 15.999 > 69 94 O 0.37985463039286 0.75000000000000 0.25000000000000 15.999 > 69 95 O 0.37985463039286 0.25000000000000 0.75000000000000 15.999 > 69 96 O 0.37985463039286 0.75000000000000 0.75000000000000 15.999 > 69 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5510812 0.0000000 0.0000000 0.0000000 3.6260266 0.0000000 0.0000000 0.0000000 3.8600272 -------------------------- Born effective charges -------------------------- 1 Cs 1.4242645 -0.1390516 0.0000000 -0.0518793 1.5001212 0.0000000 0.0000000 0.0000000 1.2589687 2 Cs 1.4242645 0.1390516 0.0000000 0.0518793 1.5001212 0.0000000 0.0000000 0.0000000 1.2589687 3 Cs 1.4242645 -0.1390516 0.0000000 -0.0518793 1.5001212 0.0000000 0.0000000 0.0000000 1.2589687 4 Cs 1.4242645 0.1390516 0.0000000 0.0518793 1.5001212 0.0000000 0.0000000 0.0000000 1.2589687 5 Sn 2.5990552 0.0000000 0.0000000 0.0000000 2.9452445 0.0000000 0.0000000 0.0000000 4.1936824 6 Sn 2.5990552 0.0000000 0.0000000 0.0000000 2.9452445 0.0000000 0.0000000 0.0000000 4.1936824 7 O -1.9358444 0.0000000 0.0000000 0.0000000 -1.7037477 -0.3205404 0.0000000 -0.3986693 -2.4685209 8 O -1.9358444 0.0000000 0.0000000 0.0000000 -1.7037477 0.3205404 0.0000000 0.3986693 -2.4685209 9 O -1.5758954 0.0000000 0.0000000 0.0000000 -2.5379915 0.0000000 0.0000000 0.0000000 -1.7745779 10 O -1.5758954 0.0000000 0.0000000 0.0000000 -2.5379915 0.0000000 0.0000000 0.0000000 -1.7745779 11 O -1.9358444 0.0000000 0.0000000 0.0000000 -1.7037477 -0.3205404 0.0000000 -0.3986693 -2.4685209 12 O -1.9358444 0.0000000 0.0000000 0.0000000 -1.7037477 0.3205404 0.0000000 0.3986693 -2.4685209 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000002 (zyz) 0.00000002 (zyz) 0.00000002 (zzy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (xy) -0.00000001 (xy) 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 2026-01-09 04:27:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 04:27:24]------------------------- 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 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.586232995000000 -3.852188724999999 0.000000000000000 b 5.586232995000000 3.852188724999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.827649840000000 Atomic positions (fractional): 1 Cs 0.48375694996457 0.19350366260851 0.75000000000000 132.905 2 Cs 0.19350366260851 0.48375694996457 0.25000000000000 132.905 3 Cs 0.51624305003543 0.80649633739149 0.25000000000000 132.905 4 Cs 0.80649633739149 0.51624305003543 0.75000000000000 132.905 5 Sn 0.91546931323462 0.08453068676538 0.25000000000000 118.710 6 Sn 0.08453068676538 0.91546931323462 0.75000000000000 118.710 7 O 0.12014536960714 0.12014536960714 0.00000000000000 15.999 8 O 0.12014536960714 0.12014536960714 0.50000000000000 15.999 9 O 0.33807630996784 0.66192369003216 0.75000000000000 15.999 10 O 0.66192369003216 0.33807630996784 0.25000000000000 15.999 11 O 0.87985463039286 0.87985463039286 0.00000000000000 15.999 12 O 0.87985463039286 0.87985463039286 0.50000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.172465989999999 0.000000000000000 0.000000000000000 b 0.000000000000000 15.408754899999996 0.000000000000000 c 0.000000000000000 0.000000000000000 11.655299680000001 Atomic positions (fractional): 1 Cs 0.33863030628654 0.42743667816099 0.37500000000000 132.905 > 1 2 Cs 0.33863030628654 0.92743667816099 0.37500000000000 132.905 > 1 3 Cs 0.33863030628654 0.42743667816099 0.87500000000000 132.905 > 1 4 Cs 0.33863030628654 0.92743667816099 0.87500000000000 132.905 > 1 5 Cs 0.33863030628654 0.07256332183901 0.12500000000000 132.905 > 5 6 Cs 0.33863030628654 0.57256332183901 0.12500000000000 132.905 > 5 7 Cs 0.33863030628654 0.07256332183901 0.62500000000000 132.905 > 5 8 Cs 0.33863030628654 0.57256332183901 0.62500000000000 132.905 > 5 9 Cs 0.66136969371346 0.07256332183901 0.12500000000000 132.905 > 9 10 Cs 0.66136969371346 0.57256332183901 0.12500000000000 132.905 > 9 11 Cs 0.66136969371346 0.07256332183901 0.62500000000000 132.905 > 9 12 Cs 0.66136969371346 0.57256332183901 0.62500000000000 132.905 > 9 13 Cs 0.66136969371346 0.42743667816099 0.37500000000000 132.905 > 13 14 Cs 0.66136969371346 0.92743667816099 0.37500000000000 132.905 > 13 15 Cs 0.66136969371346 0.42743667816099 0.87500000000000 132.905 > 13 16 Cs 0.66136969371346 0.92743667816099 0.87500000000000 132.905 > 13 17 Cs 0.83863030628654 0.17743667816099 0.37500000000000 132.905 > 1 18 Cs 0.83863030628654 0.67743667816099 0.37500000000000 132.905 > 1 19 Cs 0.83863030628654 0.17743667816099 0.87500000000000 132.905 > 1 20 Cs 0.83863030628654 0.67743667816099 0.87500000000000 132.905 > 1 21 Cs 0.83863030628654 0.32256332183901 0.12500000000000 132.905 > 5 22 Cs 0.83863030628654 0.82256332183901 0.12500000000000 132.905 > 5 23 Cs 0.83863030628654 0.32256332183901 0.62500000000000 132.905 > 5 24 Cs 0.83863030628654 0.82256332183901 0.62500000000000 132.905 > 5 25 Cs 0.16136969371346 0.32256332183901 0.12500000000000 132.905 > 9 26 Cs 0.16136969371346 0.82256332183901 0.12500000000000 132.905 > 9 27 Cs 0.16136969371346 0.32256332183901 0.62500000000000 132.905 > 9 28 Cs 0.16136969371346 0.82256332183901 0.62500000000000 132.905 > 9 29 Cs 0.16136969371346 0.17743667816099 0.37500000000000 132.905 > 13 30 Cs 0.16136969371346 0.67743667816099 0.37500000000000 132.905 > 13 31 Cs 0.16136969371346 0.17743667816099 0.87500000000000 132.905 > 13 32 Cs 0.16136969371346 0.67743667816099 0.87500000000000 132.905 > 13 33 Sn 0.50000000000000 0.29226534338269 0.12500000000000 118.710 > 33 34 Sn 0.50000000000000 0.79226534338269 0.12500000000000 118.710 > 33 35 Sn 0.50000000000000 0.29226534338269 0.62500000000000 118.710 > 33 36 Sn 0.50000000000000 0.79226534338269 0.62500000000000 118.710 > 33 37 Sn 0.50000000000000 0.20773465661731 0.37500000000000 118.710 > 37 38 Sn 0.50000000000000 0.70773465661731 0.37500000000000 118.710 > 37 39 Sn 0.50000000000000 0.20773465661731 0.87500000000000 118.710 > 37 40 Sn 0.50000000000000 0.70773465661731 0.87500000000000 118.710 > 37 41 Sn 0.00000000000000 0.04226534338269 0.12500000000000 118.710 > 33 42 Sn 0.00000000000000 0.54226534338269 0.12500000000000 118.710 > 33 43 Sn 0.00000000000000 0.04226534338269 0.62500000000000 118.710 > 33 44 Sn 0.00000000000000 0.54226534338269 0.62500000000000 118.710 > 33 45 Sn 0.00000000000000 0.45773465661731 0.37500000000000 118.710 > 37 46 Sn 0.00000000000000 0.95773465661731 0.37500000000000 118.710 > 37 47 Sn 0.00000000000000 0.45773465661731 0.87500000000000 118.710 > 37 48 Sn 0.00000000000000 0.95773465661731 0.87500000000000 118.710 > 37 49 O 0.12014536960714 0.00000000000000 0.00000000000000 15.999 > 49 50 O 0.12014536960714 0.50000000000000 0.00000000000000 15.999 > 49 51 O 0.12014536960714 0.00000000000000 0.50000000000000 15.999 > 49 52 O 0.12014536960714 0.50000000000000 0.50000000000000 15.999 > 49 53 O 0.12014536960714 0.00000000000000 0.25000000000000 15.999 > 53 54 O 0.12014536960714 0.50000000000000 0.25000000000000 15.999 > 53 55 O 0.12014536960714 0.00000000000000 0.75000000000000 15.999 > 53 56 O 0.12014536960714 0.50000000000000 0.75000000000000 15.999 > 53 57 O 0.50000000000000 0.08096184501608 0.37500000000000 15.999 > 57 58 O 0.50000000000000 0.58096184501608 0.37500000000000 15.999 > 57 59 O 0.50000000000000 0.08096184501608 0.87500000000000 15.999 > 57 60 O 0.50000000000000 0.58096184501608 0.87500000000000 15.999 > 57 61 O 0.50000000000000 0.41903815498392 0.12500000000000 15.999 > 61 62 O 0.50000000000000 0.91903815498392 0.12500000000000 15.999 > 61 63 O 0.50000000000000 0.41903815498392 0.62500000000000 15.999 > 61 64 O 0.50000000000000 0.91903815498392 0.62500000000000 15.999 > 61 65 O 0.87985463039286 0.00000000000000 0.00000000000000 15.999 > 65 66 O 0.87985463039286 0.50000000000000 0.00000000000000 15.999 > 65 67 O 0.87985463039286 0.00000000000000 0.50000000000000 15.999 > 65 68 O 0.87985463039286 0.50000000000000 0.50000000000000 15.999 > 65 69 O 0.87985463039286 0.00000000000000 0.25000000000000 15.999 > 69 70 O 0.87985463039286 0.50000000000000 0.25000000000000 15.999 > 69 71 O 0.87985463039286 0.00000000000000 0.75000000000000 15.999 > 69 72 O 0.87985463039286 0.50000000000000 0.75000000000000 15.999 > 69 73 O 0.62014536960714 0.25000000000000 0.00000000000000 15.999 > 49 74 O 0.62014536960714 0.75000000000000 0.00000000000000 15.999 > 49 75 O 0.62014536960714 0.25000000000000 0.50000000000000 15.999 > 49 76 O 0.62014536960714 0.75000000000000 0.50000000000000 15.999 > 49 77 O 0.62014536960714 0.25000000000000 0.25000000000000 15.999 > 53 78 O 0.62014536960714 0.75000000000000 0.25000000000000 15.999 > 53 79 O 0.62014536960714 0.25000000000000 0.75000000000000 15.999 > 53 80 O 0.62014536960714 0.75000000000000 0.75000000000000 15.999 > 53 81 O 0.00000000000000 0.33096184501608 0.37500000000000 15.999 > 57 82 O 0.00000000000000 0.83096184501608 0.37500000000000 15.999 > 57 83 O 0.00000000000000 0.33096184501608 0.87500000000000 15.999 > 57 84 O 0.00000000000000 0.83096184501608 0.87500000000000 15.999 > 57 85 O 0.00000000000000 0.16903815498392 0.12500000000000 15.999 > 61 86 O 0.00000000000000 0.66903815498392 0.12500000000000 15.999 > 61 87 O 0.00000000000000 0.16903815498392 0.62500000000000 15.999 > 61 88 O 0.00000000000000 0.66903815498392 0.62500000000000 15.999 > 61 89 O 0.37985463039286 0.25000000000000 0.00000000000000 15.999 > 65 90 O 0.37985463039286 0.75000000000000 0.00000000000000 15.999 > 65 91 O 0.37985463039286 0.25000000000000 0.50000000000000 15.999 > 65 92 O 0.37985463039286 0.75000000000000 0.50000000000000 15.999 > 65 93 O 0.37985463039286 0.25000000000000 0.25000000000000 15.999 > 69 94 O 0.37985463039286 0.75000000000000 0.25000000000000 15.999 > 69 95 O 0.37985463039286 0.25000000000000 0.75000000000000 15.999 > 69 96 O 0.37985463039286 0.75000000000000 0.75000000000000 15.999 > 69 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.5510812 0.0000000 0.0000000 0.0000000 3.6260266 0.0000000 0.0000000 0.0000000 3.8600272 -------------------------- Born effective charges -------------------------- 1 Cs 1.4242645 -0.1390516 0.0000000 -0.0518793 1.5001212 0.0000000 0.0000000 0.0000000 1.2589687 2 Cs 1.4242645 0.1390516 0.0000000 0.0518793 1.5001212 0.0000000 0.0000000 0.0000000 1.2589687 3 Cs 1.4242645 -0.1390516 0.0000000 -0.0518793 1.5001212 0.0000000 0.0000000 0.0000000 1.2589687 4 Cs 1.4242645 0.1390516 0.0000000 0.0518793 1.5001212 0.0000000 0.0000000 0.0000000 1.2589687 5 Sn 2.5990552 0.0000000 0.0000000 0.0000000 2.9452445 0.0000000 0.0000000 0.0000000 4.1936824 6 Sn 2.5990552 0.0000000 0.0000000 0.0000000 2.9452445 0.0000000 0.0000000 0.0000000 4.1936824 7 O -1.9358444 0.0000000 0.0000000 0.0000000 -1.7037477 -0.3205404 0.0000000 -0.3986693 -2.4685209 8 O -1.9358444 0.0000000 0.0000000 0.0000000 -1.7037477 0.3205404 0.0000000 0.3986693 -2.4685209 9 O -1.5758954 0.0000000 0.0000000 0.0000000 -2.5379915 0.0000000 0.0000000 0.0000000 -1.7745779 10 O -1.5758954 0.0000000 0.0000000 0.0000000 -2.5379915 0.0000000 0.0000000 0.0000000 -1.7745779 11 O -1.9358444 0.0000000 0.0000000 0.0000000 -1.7037477 -0.3205404 0.0000000 -0.3986693 -2.4685209 12 O -1.9358444 0.0000000 0.0000000 0.0000000 -1.7037477 0.3205404 0.0000000 0.3986693 -2.4685209 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (zyz) 0.00000002 (zyz) 0.00000002 (zzy) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 8 9 ] 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: 0.66, Number of G-points: 305, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/105) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 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 1.259 ( 0.000 0.000 0.000) 0.000 1.436 ( 0.000 0.000 0.000) 0.000 1.517 ( 0.000 0.000 0.000) 0.000 1.969 ( 0.000 0.000 0.000) 0.000 2.087 ( 0.000 0.000 0.000) 0.000 2.112 ( 0.000 0.000 0.000) 0.000 2.270 ( 0.000 0.000 0.000) 0.000 2.333 ( 0.000 0.000 0.000) 0.000 2.454 ( 0.000 0.000 0.000) 0.000 2.564 ( 0.000 0.000 0.000) 0.000 2.865 ( 0.000 0.000 0.000) 0.000 2.935 ( 0.000 0.000 0.000) 0.000 2.975 ( 0.000 0.000 0.000) 0.000 3.046 ( 0.000 0.000 0.000) 0.000 3.107 ( 0.000 0.000 0.000) 0.000 4.725 ( 0.000 0.000 0.000) 0.000 4.821 ( 0.000 0.000 0.000) 0.000 5.103 ( 0.000 0.000 0.000) 0.000 5.666 ( 0.000 0.000 0.000) 0.000 6.981 ( 0.000 0.000 0.000) 0.000 7.017 ( 0.000 0.000 0.000) 0.000 8.098 ( 0.000 0.000 0.000) 0.000 8.947 ( 0.000 0.000 0.000) 0.000 10.892 ( 0.000 0.000 0.000) 0.000 11.157 ( 0.000 0.000 0.000) 0.000 12.941 ( 0.000 0.000 0.000) 0.000 13.783 ( 0.000 0.000 0.000) 0.000 15.449 ( 0.000 0.000 0.000) 0.000 15.702 ( 0.000 0.000 0.000) 0.000 16.193 ( 0.000 0.000 0.000) 0.000 16.642 ( 0.000 0.000 0.000) 0.000 18.488 ( 0.000 0.000 0.000) 0.000 19.057 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/105) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.367 ( 16.112 -11.294 0.000) 19.676 0.371 ( 1.775 -20.570 0.000) 20.647 0.660 ( 16.564 -28.678 0.000) 33.118 1.338 ( -0.042 -8.852 0.000) 8.852 1.444 ( -1.589 -1.979 0.000) 2.538 1.500 ( 0.276 2.205 0.000) 2.222 1.942 ( 1.596 4.258 0.000) 4.547 2.074 ( 3.857 9.614 0.000) 10.359 2.114 ( 0.142 -0.197 0.000) 0.243 2.276 ( -5.829 1.775 0.000) 6.093 2.383 ( -0.888 -3.259 0.000) 3.378 2.513 ( 0.198 5.486 0.000) 5.489 2.531 ( 3.617 -3.401 0.000) 4.965 2.773 ( -6.444 3.617 0.000) 7.390 3.027 ( -2.337 -3.630 0.000) 4.317 3.054 ( 13.382 4.325 0.000) 14.064 3.077 ( 1.991 -6.010 0.000) 6.332 3.774 ( -6.974 4.744 0.000) 8.435 4.674 ( 0.226 6.393 0.000) 6.397 4.824 ( 1.674 1.029 0.000) 1.965 5.100 ( -0.445 -0.030 0.000) 0.446 5.669 ( 12.442 22.781 0.000) 25.957 6.989 ( 0.034 -0.908 0.000) 0.908 7.162 ( 5.437 -11.492 0.000) 12.713 8.096 ( 0.038 0.276 0.000) 0.278 9.658 ( -43.116 -26.441 0.000) 50.578 10.893 ( 0.102 -0.073 0.000) 0.125 11.158 ( 0.102 -0.002 0.000) 0.102 12.939 ( -0.098 0.108 0.000) 0.146 14.321 ( 61.410 39.235 0.000) 72.874 15.453 ( 0.405 -0.106 0.000) 0.418 15.701 ( -0.106 0.034 0.000) 0.111 16.198 ( 0.252 -0.501 0.000) 0.561 17.061 ( -9.010 -4.063 0.000) 9.884 19.053 ( 0.533 0.844 0.000) 0.999 19.277 ( -40.836 -26.144 0.000) 48.488 ======================= Grid point 2 (3/105) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.698 ( 0.771 -17.912 0.000) 17.929 0.723 ( 15.462 -10.712 0.000) 18.810 1.283 ( 14.126 -25.358 0.000) 29.027 1.451 ( 1.100 4.628 0.000) 4.757 1.463 ( -2.575 -3.868 0.000) 4.646 1.499 ( -0.390 -9.436 0.000) 9.444 1.876 ( 3.642 7.130 0.000) 8.006 1.930 ( -2.670 8.239 0.000) 8.661 2.124 ( -0.347 -1.394 0.000) 1.436 2.175 ( -3.183 4.277 0.000) 5.331 2.417 ( 0.513 6.369 0.000) 6.390 2.441 ( 0.004 -4.382 0.000) 4.382 2.603 ( 0.097 -1.655 0.000) 1.658 2.645 ( -4.404 3.422 0.000) 5.577 3.034 ( -1.593 -1.155 0.000) 1.968 3.115 ( 11.204 5.458 0.000) 12.462 3.272 ( 1.405 -14.193 0.000) 14.263 3.552 ( -11.630 9.086 0.000) 14.759 4.527 ( 0.201 11.896 0.000) 11.898 4.819 ( 1.745 2.078 0.000) 2.714 5.102 ( 0.091 -0.680 0.000) 0.687 5.438 ( 2.515 14.377 0.000) 14.595 7.008 ( 0.051 -1.265 0.000) 1.266 7.428 ( 5.736 -11.894 0.000) 13.205 8.090 ( 0.050 0.401 0.000) 0.404 9.588 ( -21.138 -9.534 0.000) 23.189 10.896 ( 0.147 -0.104 0.000) 0.180 11.160 ( 0.142 -0.001 0.000) 0.142 12.936 ( -0.140 0.154 0.000) 0.208 14.386 ( 26.647 13.900 0.000) 30.055 15.461 ( 0.613 -0.195 0.000) 0.643 15.699 ( -0.149 0.048 0.000) 0.156 16.213 ( 0.418 -0.697 0.000) 0.813 17.016 ( -5.143 -0.382 0.000) 5.157 19.043 ( 1.182 1.389 0.000) 1.824 19.235 ( -19.592 -10.506 0.000) 22.231 ======================= Grid point 3 (4/105) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( -0.449 -14.563 0.000) 14.570 1.058 ( 14.042 -10.182 0.000) 17.345 1.369 ( 2.016 7.521 0.000) 7.786 1.461 ( -4.564 -3.404 0.000) 5.694 1.606 ( -0.903 -4.294 0.000) 4.388 1.637 ( -3.859 5.879 0.000) 7.032 1.828 ( 3.395 3.959 0.000) 5.216 1.901 ( 8.431 -11.713 0.000) 14.432 2.093 ( 0.305 0.062 0.000) 0.311 2.162 ( -0.536 -3.990 0.000) 4.026 2.324 ( 0.575 5.954 0.000) 5.981 2.503 ( -4.708 0.486 0.000) 4.733 2.542 ( 0.039 -2.893 0.000) 2.893 2.641 ( 1.745 -0.101 0.000) 1.748 3.035 ( -0.890 -0.679 0.000) 1.120 3.077 ( 5.613 15.266 0.000) 16.266 3.289 ( -11.065 2.285 0.000) 11.298 3.543 ( 1.137 -16.279 0.000) 16.319 4.306 ( -0.103 14.516 0.000) 14.517 4.801 ( 0.813 1.594 0.000) 1.790 5.122 ( 0.719 -1.062 0.000) 1.282 5.282 ( 0.373 6.751 0.000) 6.761 7.027 ( 0.038 -0.883 0.000) 0.884 7.640 ( 3.609 -6.997 0.000) 7.873 8.085 ( 0.032 0.292 0.000) 0.294 9.510 ( -10.363 -3.224 0.000) 10.853 10.899 ( 0.105 -0.075 0.000) 0.129 11.161 ( 0.099 0.001 0.000) 0.099 12.932 ( -0.100 0.110 0.000) 0.149 14.452 ( 11.540 4.734 0.000) 12.473 15.471 ( 0.466 -0.172 0.000) 0.497 15.696 ( -0.104 0.033 0.000) 0.110 16.227 ( 0.347 -0.484 0.000) 0.596 16.969 ( -2.774 0.425 0.000) 2.806 19.036 ( 1.371 1.216 0.000) 1.833 19.189 ( -9.728 -4.408 0.000) 10.680 ======================= Grid point 4 (5/105) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( 0.000 -0.000 0.000) 0.000 1.287 ( 0.000 0.000 0.000) 0.000 1.360 ( -0.000 0.000 0.000) 0.000 1.363 ( 0.000 -0.000 0.000) 0.000 1.494 ( 0.000 -0.000 0.000) 0.000 1.631 ( 0.000 -0.000 0.000) 0.000 1.815 ( 0.000 -0.000 0.000) 0.000 1.977 ( 0.000 -0.000 0.000) 0.000 2.235 ( 0.000 0.000 0.000) 0.000 2.237 ( -0.000 -0.000 0.000) 0.000 2.274 ( -0.000 0.000 0.000) 0.000 2.394 ( 0.000 -0.000 0.000) 0.000 2.609 ( 0.000 -0.000 0.000) 0.000 2.714 ( 0.000 -0.000 0.000) 0.000 2.837 ( 0.000 -0.000 0.000) 0.000 3.036 ( -0.000 -0.000 0.000) 0.000 3.240 ( 0.000 -0.000 0.000) 0.000 3.730 ( 0.000 -0.000 0.000) 0.000 4.140 ( 0.000 -0.000 0.000) 0.000 4.792 ( 0.000 -0.000 0.000) 0.000 5.140 ( 0.000 -0.000 0.000) 0.000 5.227 ( 0.000 -0.000 0.000) 0.000 7.034 ( 0.000 -0.000 0.000) 0.000 7.719 ( 0.000 -0.000 0.000) 0.000 8.083 ( 0.000 -0.000 0.000) 0.000 9.476 ( 0.000 -0.000 0.000) 0.000 10.900 ( 0.000 -0.000 0.000) 0.000 11.162 ( -0.000 -0.000 0.000) 0.000 12.930 ( 0.000 -0.000 0.000) 0.000 14.480 ( 0.000 -0.000 0.000) 0.000 15.475 ( 0.000 -0.000 0.000) 0.000 15.695 ( 0.000 -0.000 0.000) 0.000 16.233 ( 0.000 -0.000 0.000) 0.000 16.948 ( 0.000 -0.000 0.000) 0.000 19.034 ( 0.000 -0.000 0.000) 0.000 19.169 ( -0.000 -0.000 0.000) 0.000 ======================= Grid point 10 (6/105) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.191 ( 8.287 -0.000 0.000) 8.287 0.338 ( 15.496 -0.000 0.000) 15.496 0.803 ( 34.972 -0.000 0.000) 34.972 1.259 ( -0.016 0.000 0.000) 0.016 1.361 ( -6.790 0.000 0.000) 6.790 1.519 ( 0.161 -0.000 0.000) 0.161 1.942 ( -2.347 0.000 0.000) 2.347 2.119 ( 0.651 -0.000 0.000) 0.651 2.241 ( -3.209 0.000 0.000) 3.209 2.300 ( 3.578 -0.000 0.000) 3.578 2.369 ( 1.856 -0.000 0.000) 1.856 2.514 ( 4.044 -0.000 0.000) 4.044 2.567 ( 0.229 -0.000 0.000) 0.229 2.731 ( -10.632 0.000 0.000) 10.632 2.954 ( -1.573 0.000 0.000) 1.573 3.057 ( 0.778 -0.000 0.000) 0.778 3.068 ( -3.256 0.000 0.000) 3.256 3.804 ( -2.157 0.000 0.000) 2.157 4.731 ( 0.498 -0.000 0.000) 0.498 4.856 ( 2.888 -0.000 0.000) 2.888 5.112 ( 0.769 -0.000 0.000) 0.769 6.174 ( -2.009 0.000 0.000) 2.009 6.953 ( -5.347 0.000 0.000) 5.347 6.981 ( 0.071 -0.000 0.000) 0.071 8.099 ( 0.080 -0.000 0.000) 0.080 8.987 ( 3.322 -0.000 0.000) 3.322 10.894 ( 0.196 -0.000 0.000) 0.196 11.160 ( 0.183 -0.000 0.000) 0.183 12.938 ( -0.193 0.000 0.000) 0.193 15.456 ( 0.547 -0.000 0.000) 0.547 15.597 ( -9.875 0.000 0.000) 9.875 15.699 ( -0.199 0.000 0.000) 0.199 16.269 ( 5.142 -0.000 0.000) 5.142 16.631 ( -0.855 0.000 0.000) 0.855 18.493 ( 0.425 -0.000 0.000) 0.425 19.073 ( 1.348 -0.000 0.000) 1.348 ======================= Grid point 11 (7/105) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.441 ( 4.103 -15.608 0.000) 16.138 0.667 ( 13.221 -14.711 0.000) 19.779 1.245 ( 23.900 -7.338 0.000) 25.001 1.314 ( -4.341 -6.039 0.000) 7.438 1.335 ( -0.303 -8.532 0.000) 8.537 1.511 ( 0.549 1.416 0.000) 1.518 1.908 ( -3.174 0.514 0.000) 3.215 2.113 ( -2.524 10.401 0.000) 10.703 2.120 ( 0.409 0.677 0.000) 0.791 2.273 ( 3.853 6.865 0.000) 7.872 2.393 ( 1.854 -2.301 0.000) 2.955 2.521 ( 0.436 5.223 0.000) 5.241 2.570 ( -2.694 -0.108 0.000) 2.696 2.624 ( -3.109 -1.470 0.000) 3.439 2.974 ( -2.314 -3.291 0.000) 4.023 3.104 ( -4.950 -7.118 0.000) 8.669 3.116 ( 1.531 -6.809 0.000) 6.979 3.669 ( -3.760 11.296 0.000) 11.905 4.684 ( 0.551 6.602 0.000) 6.625 4.883 ( 3.424 1.528 0.000) 3.749 5.111 ( 1.079 0.921 0.000) 1.419 5.808 ( 1.286 26.975 0.000) 27.006 6.990 ( 0.096 -0.895 0.000) 0.901 7.166 ( -5.297 -21.982 0.000) 22.611 8.097 ( 0.097 0.297 0.000) 0.313 9.176 ( -5.261 -14.734 0.000) 15.645 10.897 ( 0.229 -0.039 0.000) 0.232 11.162 ( 0.193 0.027 0.000) 0.195 12.935 ( -0.230 0.072 0.000) 0.241 15.085 ( 10.502 34.068 0.000) 35.650 15.469 ( 0.861 0.011 0.000) 0.861 15.697 ( -0.224 -0.000 0.000) 0.224 16.239 ( 3.575 2.955 0.000) 4.638 16.840 ( -8.108 -12.400 0.000) 14.815 18.718 ( -10.805 -20.783 0.000) 23.424 19.090 ( 2.109 -0.064 0.000) 2.110 ======================= Grid point 12 (8/105) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.725 ( 1.577 -15.165 0.000) 15.247 1.039 ( 13.181 -12.274 0.000) 18.010 1.260 ( -11.343 -6.179 0.000) 12.917 1.476 ( 0.347 -2.903 0.000) 2.924 1.490 ( 0.202 -2.485 0.000) 2.493 1.664 ( 5.825 -2.776 0.000) 6.453 1.861 ( 3.890 -0.675 0.000) 3.949 1.958 ( 3.658 2.783 0.000) 4.596 2.115 ( -0.361 -0.651 0.000) 0.745 2.190 ( 2.427 7.965 0.000) 8.326 2.431 ( 0.623 6.259 0.000) 6.290 2.455 ( 0.995 -1.951 0.000) 2.190 2.514 ( -2.357 0.136 0.000) 2.361 2.652 ( 1.166 -0.783 0.000) 1.405 2.995 ( -1.703 -2.390 0.000) 2.935 3.139 ( -8.363 -5.071 0.000) 9.780 3.306 ( 1.489 -13.756 0.000) 13.836 3.390 ( -2.231 17.012 0.000) 17.157 4.533 ( 0.292 12.372 0.000) 12.376 4.873 ( 2.966 3.991 0.000) 4.972 5.118 ( 0.960 -0.323 0.000) 1.013 5.464 ( 0.043 16.078 0.000) 16.078 7.009 ( 0.095 -1.227 0.000) 1.231 7.434 ( -5.332 -17.407 0.000) 18.205 8.092 ( 0.082 0.446 0.000) 0.454 9.314 ( -3.432 -9.344 0.000) 9.955 10.900 ( 0.179 -0.019 0.000) 0.180 11.163 ( 0.129 0.065 0.000) 0.144 12.932 ( -0.186 0.065 0.000) 0.197 14.782 ( 8.340 18.898 0.000) 20.656 15.478 ( 0.731 0.087 0.000) 0.736 15.695 ( -0.167 -0.035 0.000) 0.171 16.241 ( 2.078 1.063 0.000) 2.334 16.889 ( -5.336 -4.758 0.000) 7.149 18.857 ( -10.458 -12.044 0.000) 15.950 19.130 ( 3.320 -1.156 0.000) 3.516 ======================= Grid point 13 (9/105) ======================= q-point: ( 0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( 0.290 -12.946 0.000) 12.949 1.255 ( -10.942 -8.630 0.000) 13.935 1.337 ( 7.508 -6.346 0.000) 9.830 1.408 ( 1.232 7.967 0.000) 8.062 1.466 ( -7.020 8.994 0.000) 11.409 1.585 ( -0.771 -4.955 0.000) 5.015 1.905 ( 3.449 0.435 0.000) 3.476 2.069 ( 1.089 8.736 0.000) 8.804 2.150 ( -0.433 -4.160 0.000) 4.183 2.221 ( 10.386 -9.310 0.000) 13.948 2.336 ( 0.460 6.161 0.000) 6.178 2.422 ( -0.893 3.138 0.000) 3.263 2.560 ( 0.581 -3.817 0.000) 3.861 2.683 ( 1.924 -1.792 0.000) 2.629 2.960 ( -9.015 12.457 0.000) 15.377 3.016 ( -0.718 -1.850 0.000) 1.985 3.239 ( 1.366 0.722 0.000) 1.546 3.568 ( 0.993 -15.490 0.000) 15.522 4.304 ( -0.098 14.986 0.000) 14.986 4.835 ( 2.160 3.726 0.000) 4.307 5.132 ( -0.083 -0.521 0.000) 0.527 5.279 ( -0.471 6.856 0.000) 6.872 7.028 ( 0.064 -0.817 0.000) 0.819 7.593 ( -6.792 -10.226 0.000) 12.276 8.086 ( 0.048 0.349 0.000) 0.352 9.435 ( 2.690 -6.714 0.000) 7.233 10.901 ( 0.074 0.049 0.000) 0.088 11.162 ( 0.029 0.090 0.000) 0.094 12.930 ( -0.086 -0.018 0.000) 0.088 14.597 ( 1.728 12.030 0.000) 12.153 15.480 ( 0.326 0.349 0.000) 0.477 15.694 ( -0.063 -0.082 0.000) 0.103 16.244 ( 1.041 0.766 0.000) 1.292 16.908 ( -2.359 -3.287 0.000) 4.046 18.908 ( -7.129 -7.128 0.000) 10.081 19.203 ( 5.232 -2.009 0.000) 5.605 ======================= Grid point 14 (10/105) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( -11.718 12.128 0.000) 16.864 1.135 ( 1.556 -3.699 0.000) 4.013 1.265 ( -1.764 5.854 0.000) 6.114 1.329 ( -8.920 -11.212 0.000) 14.327 1.595 ( 7.787 -6.094 0.000) 9.888 1.635 ( 0.296 -1.404 0.000) 1.435 1.902 ( 4.335 8.622 0.000) 9.650 2.008 ( 3.682 0.178 0.000) 3.686 2.148 ( -7.856 12.465 0.000) 14.734 2.227 ( -0.315 -5.375 0.000) 5.384 2.244 ( 0.280 5.449 0.000) 5.457 2.505 ( 4.715 -5.066 0.000) 6.921 2.595 ( 0.223 0.340 0.000) 0.406 2.648 ( -2.494 5.726 0.000) 6.246 2.841 ( -2.700 -5.895 0.000) 6.483 3.037 ( 0.076 -1.075 0.000) 1.078 3.315 ( 5.539 -5.732 0.000) 7.971 3.729 ( -0.091 2.214 0.000) 2.216 4.140 ( 0.028 -0.852 0.000) 0.853 4.807 ( 1.149 1.990 0.000) 2.298 5.126 ( -1.002 0.389 0.000) 1.075 5.223 ( -0.313 -0.157 0.000) 0.350 7.035 ( 0.019 0.073 0.000) 0.075 7.611 ( -7.316 -1.916 0.000) 7.563 8.083 ( 0.012 0.055 0.000) 0.056 9.599 ( 8.421 -5.742 0.000) 10.193 10.900 ( -0.023 0.124 0.000) 0.126 11.161 ( -0.048 0.088 0.000) 0.101 12.931 ( 0.010 -0.129 0.000) 0.129 14.404 ( -5.376 9.642 0.000) 11.040 15.474 ( -0.098 0.561 0.000) 0.570 15.696 ( 0.029 -0.115 0.000) 0.119 16.239 ( 0.351 0.839 0.000) 0.910 16.950 ( 0.112 -3.453 0.000) 3.455 18.943 ( -3.997 -5.025 0.000) 6.421 19.310 ( 7.522 -2.312 0.000) 7.869 ======================= Grid point 15 (11/105) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( -9.665 13.292 0.000) 16.434 0.979 ( 0.463 16.444 0.000) 16.451 1.331 ( -1.082 -8.322 0.000) 8.392 1.416 ( -4.516 -7.571 0.000) 8.816 1.621 ( 0.373 4.251 0.000) 4.267 1.629 ( -1.703 23.789 0.000) 23.850 1.780 ( -0.157 -0.877 0.000) 0.891 1.861 ( 0.178 -0.617 0.000) 0.642 2.169 ( 5.939 -5.015 0.000) 7.773 2.171 ( 0.250 3.777 0.000) 3.785 2.313 ( -0.271 -5.764 0.000) 5.770 2.521 ( 0.046 5.041 0.000) 5.041 2.575 ( -3.388 -1.800 0.000) 3.836 2.667 ( 6.919 -2.175 0.000) 7.252 2.865 ( -10.313 -5.643 0.000) 11.756 3.051 ( 0.430 -0.298 0.000) 0.523 3.523 ( -0.526 16.963 0.000) 16.972 3.525 ( 6.784 -9.583 0.000) 11.741 4.308 ( 0.043 -14.183 0.000) 14.183 4.795 ( 0.080 0.352 0.000) 0.361 5.113 ( -0.060 0.296 0.000) 0.302 5.264 ( -0.878 -5.618 0.000) 5.687 7.026 ( -0.008 0.932 0.000) 0.932 7.502 ( -5.444 6.088 0.000) 8.167 8.085 ( -0.009 -0.249 0.000) 0.250 9.798 ( 10.474 -5.231 0.000) 11.708 10.897 ( -0.053 0.160 0.000) 0.169 11.159 ( -0.061 0.064 0.000) 0.088 12.934 ( 0.046 -0.200 0.000) 0.205 14.163 ( -10.180 9.042 0.000) 13.616 15.462 ( -0.223 0.530 0.000) 0.575 15.698 ( 0.055 -0.116 0.000) 0.129 16.226 ( 0.085 0.960 0.000) 0.964 17.016 ( 1.219 -3.537 0.000) 3.741 18.983 ( -1.555 -3.654 0.000) 3.971 19.442 ( 8.255 -2.721 0.000) 8.692 ======================= Grid point 16 (12/105) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.469 ( 0.000 14.580 0.000) 14.580 0.690 ( 0.000 19.104 0.000) 19.104 1.121 ( 0.000 32.589 0.000) 32.589 1.438 ( -0.000 -5.344 0.000) 5.344 1.455 ( -0.000 -0.636 0.000) 0.636 1.503 ( 0.000 9.899 0.000) 9.899 1.828 ( -0.000 -4.902 0.000) 4.902 1.959 ( -0.000 -7.061 0.000) 7.061 2.128 ( 0.000 1.712 0.000) 1.712 2.288 ( -0.000 -3.652 0.000) 3.652 2.411 ( -0.000 -6.435 0.000) 6.435 2.449 ( 0.000 3.918 0.000) 3.918 2.544 ( 0.000 2.106 0.000) 2.106 2.799 ( -0.000 -3.611 0.000) 3.611 2.835 ( -0.000 -4.602 0.000) 4.602 3.055 ( 0.000 0.237 0.000) 0.237 3.254 ( 0.000 14.772 0.000) 14.772 3.719 ( -0.000 -8.387 0.000) 8.387 4.524 ( -0.000 -11.701 0.000) 11.701 4.798 ( -0.000 -0.779 0.000) 0.779 5.111 ( 0.000 0.239 0.000) 0.239 5.387 ( -0.000 -10.281 0.000) 10.281 7.007 ( 0.000 1.282 0.000) 1.282 7.317 ( 0.000 11.800 0.000) 11.800 8.090 ( -0.000 -0.381 0.000) 0.381 9.965 ( -0.000 -5.106 0.000) 5.106 10.894 ( 0.000 0.138 0.000) 0.138 11.158 ( 0.000 0.029 0.000) 0.029 12.937 ( -0.000 -0.190 0.000) 0.190 13.929 ( 0.000 8.795 0.000) 8.795 15.454 ( 0.000 0.317 0.000) 0.317 15.700 ( -0.000 -0.083 0.000) 0.083 16.211 ( 0.000 0.938 0.000) 0.938 17.080 ( -0.000 -2.945 0.000) 2.945 19.023 ( -0.000 -2.257 0.000) 2.257 19.556 ( -0.000 -3.377 0.000) 3.377 ======================= Grid point 19 (13/105) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.365 ( 7.138 -0.000 0.000) 7.138 0.695 ( 16.210 -0.000 0.000) 16.210 1.144 ( -11.855 0.000 0.000) 11.855 1.255 ( -0.404 0.000 0.000) 0.404 1.522 ( 0.090 -0.000 0.000) 0.090 1.529 ( 27.850 -0.000 0.000) 27.850 1.868 ( -4.354 0.000 0.000) 4.354 2.139 ( 1.015 -0.000 0.000) 1.015 2.143 ( -5.648 0.000 0.000) 5.648 2.359 ( -4.298 0.000 0.000) 4.298 2.421 ( 6.301 -0.000 0.000) 6.301 2.525 ( -3.088 0.000 0.000) 3.088 2.573 ( 0.238 -0.000 0.000) 0.238 2.593 ( 2.615 -0.000 0.000) 2.615 2.915 ( -1.786 0.000 0.000) 1.786 2.982 ( -3.869 0.000 0.000) 3.869 3.075 ( 0.753 -0.000 0.000) 0.753 3.695 ( -7.954 0.000 0.000) 7.954 4.746 ( 0.714 -0.000 0.000) 0.714 4.938 ( 4.051 -0.000 0.000) 4.051 5.134 ( 1.091 -0.000 0.000) 1.091 6.113 ( -3.256 0.000 0.000) 3.256 6.804 ( -7.189 0.000 0.000) 7.189 6.984 ( 0.119 -0.000 0.000) 0.119 8.101 ( 0.120 -0.000 0.000) 0.120 9.077 ( 4.244 -0.000 0.000) 4.244 10.899 ( 0.253 -0.000 0.000) 0.253 11.164 ( 0.183 -0.000 0.000) 0.183 12.933 ( -0.262 0.000 0.000) 0.262 15.358 ( -10.458 0.000 0.000) 10.458 15.471 ( 0.681 -0.000 0.000) 0.681 15.694 ( -0.236 0.000 0.000) 0.236 16.373 ( 3.752 -0.000 0.000) 3.752 16.608 ( -1.134 0.000 0.000) 1.134 18.506 ( 0.688 -0.000 0.000) 0.688 19.111 ( 1.949 -0.000 0.000) 1.949 ======================= Grid point 20 (14/105) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.538 ( 4.174 -10.760 0.000) 11.541 0.967 ( 7.647 -9.896 0.000) 12.506 1.057 ( -5.209 -5.647 0.000) 7.683 1.323 ( -0.746 -8.171 0.000) 8.205 1.522 ( 0.427 0.327 0.000) 0.538 1.706 ( -1.350 3.780 0.000) 4.014 1.863 ( -0.066 -3.572 0.000) 3.573 2.072 ( 8.034 3.747 0.000) 8.865 2.131 ( 0.521 1.889 0.000) 1.960 2.293 ( 0.015 2.989 0.000) 2.989 2.489 ( 5.867 0.348 0.000) 5.878 2.506 ( 0.318 1.211 0.000) 1.252 2.530 ( 0.360 4.849 0.000) 4.863 2.640 ( 1.271 -2.133 0.000) 2.483 2.927 ( -1.735 -3.089 0.000) 3.543 2.980 ( -4.708 -3.965 0.000) 6.156 3.145 ( 1.027 -7.634 0.000) 7.702 3.527 ( -9.583 7.468 0.000) 12.150 4.697 ( 0.560 6.897 0.000) 6.920 4.965 ( 3.546 2.231 0.000) 4.189 5.136 ( 1.040 0.918 0.000) 1.387 5.798 ( -1.409 23.926 0.000) 23.968 6.993 ( 0.116 -0.881 0.000) 0.889 7.001 ( -7.838 -23.819 0.000) 25.076 8.100 ( 0.105 0.323 0.000) 0.340 9.178 ( 2.663 -6.452 0.000) 6.980 10.902 ( 0.203 0.013 0.000) 0.204 11.165 ( 0.118 0.064 0.000) 0.134 12.930 ( -0.219 0.020 0.000) 0.220 15.111 ( -3.740 15.012 0.000) 15.471 15.484 ( 0.496 -0.331 0.000) 0.596 15.692 ( -0.179 -0.048 0.000) 0.186 16.327 ( 3.492 5.547 0.000) 6.555 16.713 ( -3.684 -9.215 0.000) 9.924 18.595 ( -2.277 -9.050 0.000) 9.332 19.142 ( 2.255 -1.136 0.000) 2.525 ======================= Grid point 21 (15/105) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( 1.497 -12.535 0.000) 12.624 0.990 ( -10.535 -7.624 0.000) 13.004 1.327 ( 9.753 -7.005 0.000) 12.008 1.461 ( -0.849 -8.809 0.000) 8.850 1.510 ( 0.856 2.800 0.000) 2.928 1.525 ( -6.422 6.072 0.000) 8.838 1.859 ( -5.437 -3.354 0.000) 6.389 2.110 ( -0.145 0.070 0.000) 0.161 2.158 ( 1.830 1.747 0.000) 2.530 2.306 ( 11.168 1.845 0.000) 11.320 2.442 ( 0.356 6.204 0.000) 6.215 2.477 ( 1.216 2.974 0.000) 3.213 2.549 ( 4.366 -0.431 0.000) 4.387 2.690 ( 3.091 -1.049 0.000) 3.264 2.961 ( -5.779 0.534 0.000) 5.804 2.964 ( -0.992 -3.207 0.000) 3.357 3.295 ( -6.832 6.797 0.000) 9.638 3.334 ( 0.884 -13.704 0.000) 13.733 4.539 ( 0.212 12.852 0.000) 12.854 4.942 ( 2.856 4.828 0.000) 5.609 5.132 ( 0.146 0.581 0.000) 0.599 5.454 ( -0.682 15.968 0.000) 15.983 7.012 ( 0.084 -1.193 0.000) 1.196 7.269 ( -7.191 -18.736 0.000) 20.069 8.094 ( 0.066 0.486 0.000) 0.491 9.334 ( 2.851 -8.913 0.000) 9.358 10.903 ( 0.106 0.070 0.000) 0.128 11.165 ( 0.039 0.126 0.000) 0.132 12.928 ( -0.123 -0.026 0.000) 0.126 14.842 ( -0.686 15.219 0.000) 15.235 15.490 ( 0.346 0.217 0.000) 0.408 15.692 ( -0.088 -0.115 0.000) 0.144 16.290 ( 1.863 3.038 0.000) 3.564 16.798 ( -2.731 -6.302 0.000) 6.868 18.708 ( -3.557 -8.755 0.000) 9.450 19.204 ( 2.825 -3.078 0.000) 4.178 ======================= Grid point 22 (16/105) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( 0.328 -12.200 0.000) 12.204 1.046 ( -5.944 -10.880 0.000) 12.398 1.192 ( -6.865 11.900 0.000) 13.738 1.422 ( 0.194 8.990 0.000) 8.992 1.575 ( -0.189 -5.790 0.000) 5.793 1.620 ( 8.334 -2.466 0.000) 8.691 1.920 ( -2.346 -10.284 0.000) 10.548 2.078 ( 0.259 7.660 0.000) 7.664 2.144 ( -0.143 -4.189 0.000) 4.191 2.298 ( -0.195 9.875 0.000) 9.877 2.343 ( 0.152 6.270 0.000) 6.272 2.476 ( 1.265 -1.409 0.000) 1.894 2.605 ( 3.296 -1.198 0.000) 3.507 2.718 ( 2.625 3.394 0.000) 4.291 2.822 ( -4.604 5.740 0.000) 7.358 3.005 ( -0.254 -2.584 0.000) 2.596 3.250 ( 0.067 -5.426 0.000) 5.426 3.584 ( 0.377 -14.998 0.000) 15.003 4.302 ( -0.039 15.315 0.000) 15.315 4.883 ( 1.578 5.057 0.000) 5.298 5.119 ( -0.725 0.395 0.000) 0.826 5.270 ( -0.258 6.469 0.000) 6.474 7.029 ( 0.034 -0.771 0.000) 0.772 7.440 ( -4.636 -10.442 0.000) 11.424 8.087 ( 0.024 0.386 0.000) 0.387 9.527 ( 3.260 -10.268 0.000) 10.773 10.902 ( 0.021 0.138 0.000) 0.140 11.163 ( -0.008 0.150 0.000) 0.150 12.928 ( -0.032 -0.110 0.000) 0.115 14.586 ( -1.180 15.310 0.000) 15.355 15.485 ( 0.081 0.682 0.000) 0.687 15.694 ( -0.014 -0.162 0.000) 0.163 16.264 ( 0.556 1.810 0.000) 1.894 16.871 ( -0.828 -5.391 0.000) 5.454 18.805 ( -2.185 -7.240 0.000) 7.563 19.302 ( 2.678 -4.862 0.000) 5.550 ======================= Grid point 23 (17/105) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( 0.000 13.908 0.000) 13.908 1.165 ( -0.000 -10.971 0.000) 10.971 1.209 ( -0.000 -12.571 0.000) 12.571 1.232 ( 0.000 13.925 0.000) 13.925 1.640 ( -0.000 -1.896 0.000) 1.896 1.705 ( -0.000 -3.861 0.000) 3.861 1.943 ( 0.000 8.406 0.000) 8.406 2.021 ( 0.000 18.237 0.000) 18.237 2.094 ( -0.000 -6.244 0.000) 6.244 2.223 ( -0.000 -5.302 0.000) 5.302 2.248 ( 0.000 5.409 0.000) 5.409 2.512 ( -0.000 -2.558 0.000) 2.558 2.610 ( 0.000 5.205 0.000) 5.205 2.682 ( -0.000 -1.761 0.000) 1.761 2.758 ( 0.000 0.103 0.000) 0.103 3.038 ( -0.000 -1.525 0.000) 1.525 3.394 ( -0.000 -10.105 0.000) 10.105 3.728 ( 0.000 3.132 0.000) 3.132 4.141 ( -0.000 -1.200 0.000) 1.200 4.825 ( 0.000 2.957 0.000) 2.957 5.111 ( -0.000 -0.036 0.000) 0.036 5.218 ( 0.000 0.183 0.000) 0.183 7.035 ( 0.000 0.103 0.000) 0.103 7.510 ( -0.000 -1.626 0.000) 1.626 8.083 ( 0.000 0.078 0.000) 0.078 9.717 ( -0.000 -9.901 0.000) 9.901 10.899 ( 0.000 0.175 0.000) 0.175 11.160 ( 0.000 0.125 0.000) 0.125 12.931 ( -0.000 -0.182 0.000) 0.182 14.326 ( 0.000 14.991 0.000) 14.991 15.472 ( 0.000 0.781 0.000) 0.781 15.696 ( -0.000 -0.163 0.000) 0.163 16.243 ( 0.000 1.144 0.000) 1.144 16.951 ( -0.000 -4.830 0.000) 4.830 18.897 ( -0.000 -5.623 0.000) 5.623 19.407 ( -0.000 -5.491 0.000) 5.491 ======================= Grid point 28 (18/105) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.499 ( 4.545 -0.000 0.000) 4.545 0.858 ( -9.929 0.000 0.000) 9.929 1.069 ( 14.258 -0.000 0.000) 14.258 1.241 ( -0.748 0.000 0.000) 0.748 1.523 ( 0.011 -0.000 0.000) 0.011 1.731 ( -8.373 0.000 0.000) 8.373 1.734 ( -7.760 0.000 0.000) 7.760 2.160 ( 0.794 -0.000 0.000) 0.794 2.185 ( 3.352 -0.000 0.000) 3.352 2.386 ( 13.092 -0.000 0.000) 13.092 2.545 ( 4.264 -0.000 0.000) 4.264 2.556 ( 5.142 -0.000 0.000) 5.142 2.577 ( 0.098 -0.000 0.000) 0.098 2.625 ( 0.238 -0.000 0.000) 0.238 2.880 ( -1.176 0.000 0.000) 1.176 2.918 ( -1.595 0.000 0.000) 1.595 3.089 ( 0.508 -0.000 0.000) 0.508 3.443 ( -14.276 0.000 0.000) 14.276 4.760 ( 0.511 -0.000 0.000) 0.511 5.019 ( 2.871 -0.000 0.000) 2.871 5.156 ( 0.773 -0.000 0.000) 0.773 6.043 ( -2.618 0.000 0.000) 2.618 6.662 ( -4.896 0.000 0.000) 4.896 6.986 ( 0.098 -0.000 0.000) 0.098 8.104 ( 0.089 -0.000 0.000) 0.089 9.159 ( 2.758 -0.000 0.000) 2.758 10.904 ( 0.162 -0.000 0.000) 0.162 11.167 ( 0.074 -0.000 0.000) 0.074 12.928 ( -0.178 0.000 0.000) 0.178 15.163 ( -6.420 0.000 0.000) 6.420 15.483 ( 0.409 -0.000 0.000) 0.409 15.690 ( -0.135 0.000 0.000) 0.135 16.433 ( 1.675 -0.000 0.000) 1.675 16.586 ( -0.745 0.000 0.000) 0.745 18.521 ( 0.552 -0.000 0.000) 0.552 19.151 ( 1.407 -0.000 0.000) 1.407 ======================= Grid point 29 (19/105) ======================= q-point: ( 0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.610 ( 1.841 -8.085 0.000) 8.292 0.796 ( -6.489 -4.150 0.000) 7.702 1.307 ( -0.511 -8.059 0.000) 8.075 1.315 ( 12.230 -9.889 0.000) 15.728 1.529 ( 0.156 -0.400 0.000) 0.430 1.535 ( -7.432 6.279 0.000) 9.730 1.721 ( -7.662 -3.652 0.000) 8.488 2.141 ( 0.254 2.717 0.000) 2.729 2.186 ( -0.139 0.936 0.000) 0.946 2.466 ( 5.693 3.466 0.000) 6.665 2.536 ( 0.121 4.591 0.000) 4.592 2.542 ( 2.276 3.771 0.000) 4.405 2.603 ( 2.179 0.640 0.000) 2.271 2.728 ( 10.522 -3.031 0.000) 10.950 2.900 ( -0.650 -3.119 0.000) 3.186 2.914 ( -1.443 -0.699 0.000) 1.604 3.161 ( 0.380 -8.033 0.000) 8.042 3.256 ( -12.757 2.507 0.000) 13.001 4.706 ( 0.235 7.106 0.000) 7.110 5.026 ( 1.607 2.271 0.000) 2.782 5.152 ( 0.309 1.224 0.000) 1.262 5.769 ( -0.824 22.117 0.000) 22.132 6.867 ( -3.389 -21.967 0.000) 22.227 6.995 ( 0.054 -0.874 0.000) 0.875 8.101 ( 0.046 0.339 0.000) 0.342 9.232 ( 1.511 -5.935 0.000) 6.124 10.905 ( 0.077 0.051 0.000) 0.092 11.167 ( 0.026 0.088 0.000) 0.092 12.927 ( -0.088 -0.019 0.000) 0.089 15.028 ( -2.392 9.288 0.000) 9.591 15.491 ( 0.170 -0.346 0.000) 0.386 15.689 ( -0.061 -0.081 0.000) 0.101 16.379 ( 1.170 5.381 0.000) 5.507 16.662 ( -1.066 -7.148 0.000) 7.227 18.571 ( -0.358 -5.248 0.000) 5.260 19.180 ( 0.971 -2.082 0.000) 2.297 ======================= Grid point 30 (20/105) ======================= q-point: (-0.38 -0.62 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( -0.000 -11.456 0.000) 11.456 0.856 ( -0.000 -7.905 0.000) 7.905 1.334 ( 0.000 9.939 0.000) 9.939 1.450 ( -0.000 -8.753 0.000) 8.753 1.520 ( 0.000 2.448 0.000) 2.448 1.652 ( -0.000 -16.269 0.000) 16.269 1.683 ( 0.000 0.633 0.000) 0.633 2.108 ( 0.000 0.364 0.000) 0.364 2.159 ( 0.000 2.675 0.000) 2.675 2.428 ( 0.000 5.401 0.000) 5.401 2.446 ( 0.000 6.194 0.000) 6.194 2.494 ( 0.000 2.622 0.000) 2.622 2.612 ( -0.000 -0.200 0.000) 0.200 2.815 ( 0.000 1.700 0.000) 1.700 2.868 ( 0.000 4.801 0.000) 4.801 2.953 ( -0.000 -3.505 0.000) 3.505 3.171 ( -0.000 -2.287 0.000) 2.287 3.344 ( -0.000 -13.713 0.000) 13.713 4.541 ( 0.000 13.052 0.000) 13.052 4.979 ( 0.000 4.749 0.000) 4.749 5.130 ( 0.000 1.336 0.000) 1.336 5.445 ( 0.000 15.776 0.000) 15.776 7.013 ( -0.000 -1.180 0.000) 1.180 7.180 ( -0.000 -18.068 0.000) 18.068 8.095 ( 0.000 0.501 0.000) 0.501 9.373 ( -0.000 -9.863 0.000) 9.863 10.904 ( 0.000 0.109 0.000) 0.109 11.165 ( 0.000 0.150 0.000) 0.150 12.927 ( -0.000 -0.065 0.000) 0.065 14.825 ( 0.000 13.994 0.000) 13.994 15.494 ( 0.000 0.254 0.000) 0.254 15.691 ( -0.000 -0.147 0.000) 0.147 16.312 ( 0.000 3.640 0.000) 3.640 16.767 ( -0.000 -6.575 0.000) 6.575 18.672 ( -0.000 -7.343 0.000) 7.343 19.238 ( -0.000 -4.162 0.000) 4.162 ======================= Grid point 39 (21/105) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.553 ( 0.000 -0.000 0.000) 0.000 0.724 ( 0.000 -0.000 0.000) 0.000 1.231 ( 0.000 -0.000 0.000) 0.000 1.296 ( 0.000 -0.000 0.000) 0.000 1.523 ( 0.000 -0.000 0.000) 0.000 1.588 ( 0.000 -0.000 0.000) 0.000 1.600 ( 0.000 -0.000 0.000) 0.000 2.170 ( 0.000 -0.000 0.000) 0.000 2.193 ( 0.000 -0.000 0.000) 0.000 2.516 ( 0.000 -0.000 0.000) 0.000 2.578 ( 0.000 -0.000 0.000) 0.000 2.606 ( 0.000 -0.000 0.000) 0.000 2.611 ( 0.000 -0.000 0.000) 0.000 2.794 ( 0.000 -0.000 0.000) 0.000 2.867 ( 0.000 -0.000 0.000) 0.000 2.904 ( 0.000 -0.000 0.000) 0.000 3.095 ( 0.000 -0.000 0.000) 0.000 3.172 ( -0.000 0.000 0.000) 0.000 4.766 ( 0.000 -0.000 0.000) 0.000 5.053 ( 0.000 -0.000 0.000) 0.000 5.165 ( 0.000 -0.000 0.000) 0.000 6.011 ( 0.000 -0.000 0.000) 0.000 6.605 ( 0.000 -0.000 0.000) 0.000 6.987 ( 0.000 -0.000 0.000) 0.000 8.105 ( 0.000 -0.000 0.000) 0.000 9.191 ( 0.000 -0.000 0.000) 0.000 10.906 ( 0.000 -0.000 0.000) 0.000 11.168 ( 0.000 -0.000 0.000) 0.000 12.926 ( 0.000 -0.000 0.000) 0.000 15.089 ( 0.000 -0.000 0.000) 0.000 15.488 ( 0.000 -0.000 0.000) 0.000 15.688 ( 0.000 -0.000 0.000) 0.000 16.452 ( 0.000 -0.000 0.000) 0.000 16.577 ( 0.000 -0.000 0.000) 0.000 18.528 ( 0.000 -0.000 0.000) 0.000 19.168 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 69 (22/105) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.091 ( 0.000 0.000 5.986) 5.986 0.421 ( 0.000 0.000 21.743) 21.743 0.816 ( 0.000 0.000 36.367) 36.367 1.408 ( 0.000 0.000 -3.447) 3.447 1.477 ( 0.000 0.000 -3.969) 3.969 1.867 ( 0.000 0.000 -8.582) 8.582 2.118 ( 0.000 0.000 2.951) 2.951 2.125 ( 0.000 0.000 1.746) 1.746 2.277 ( 0.000 0.000 0.735) 0.735 2.289 ( 0.000 0.000 -0.960) 0.960 2.447 ( 0.000 0.000 7.745) 7.745 2.519 ( 0.000 0.000 -4.377) 4.377 2.542 ( 0.000 0.000 7.224) 7.224 2.828 ( 0.000 0.000 -2.443) 2.443 2.925 ( 0.000 0.000 -1.002) 1.002 3.123 ( 0.000 0.000 1.377) 1.377 3.303 ( 0.000 0.000 25.013) 25.013 3.392 ( 0.000 0.000 18.207) 18.207 4.756 ( 0.000 0.000 3.059) 3.059 4.780 ( 0.000 0.000 -4.081) 4.081 5.093 ( 0.000 0.000 -0.982) 0.982 5.609 ( 0.000 0.000 -5.777) 5.777 6.945 ( 0.000 0.000 -7.442) 7.442 7.942 ( 0.000 0.000 -15.359) 15.359 8.211 ( 0.000 0.000 4.915) 4.915 8.983 ( 0.000 0.000 2.860) 2.860 11.113 ( 0.000 0.000 22.577) 22.577 11.260 ( 0.000 0.000 10.463) 10.463 13.723 ( 0.000 0.000 -6.209) 6.209 15.382 ( 0.000 0.000 -7.212) 7.212 15.718 ( 0.000 0.000 1.711) 1.711 15.829 ( 0.000 0.000 3.936) 3.936 16.184 ( 0.000 0.000 -0.880) 0.880 16.633 ( 0.000 0.000 -0.985) 0.985 18.505 ( 0.000 0.000 1.707) 1.707 19.039 ( 0.000 0.000 -1.885) 1.885 ======================= Grid point 70 (23/105) ======================= q-point: ( 0.12 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.406 ( 19.275 -5.315 4.307) 20.453 0.585 ( 9.808 -12.798 10.703) 19.354 0.993 ( 0.415 -18.728 27.649) 33.397 1.359 ( -1.626 3.614 -6.556) 7.661 1.502 ( 0.350 -1.868 -0.019) 1.901 1.806 ( -8.989 8.499 16.287) 20.452 1.889 ( -1.851 3.367 0.436) 3.867 2.083 ( 0.514 6.012 0.935) 6.106 2.142 ( 5.739 7.781 3.328) 10.225 2.257 ( -3.781 2.037 -0.612) 4.338 2.371 ( -0.837 0.896 -1.284) 1.776 2.511 ( -1.849 -0.575 1.387) 2.381 2.602 ( 3.001 -2.204 5.208) 6.403 2.753 ( -5.610 2.989 -1.291) 6.486 2.986 ( 11.050 3.638 -2.476) 11.894 3.210 ( -2.043 -6.272 6.141) 9.013 3.297 ( -1.276 -0.566 24.803) 24.842 3.588 ( 2.618 -6.390 -0.688) 6.940 4.724 ( -0.382 4.540 3.821) 5.946 4.779 ( 1.448 1.117 -4.241) 4.618 5.088 ( -1.401 -0.835 -0.838) 1.834 5.555 ( 6.112 12.206 -7.415) 15.535 7.034 ( -1.982 -10.822 -7.063) 13.074 7.627 ( -4.675 24.919 29.612) 38.983 7.953 ( -0.541 0.465 -13.488) 13.507 9.378 ( -12.663 -26.453 -13.762) 32.396 11.119 ( 0.702 0.008 22.674) 22.685 11.262 ( 0.276 -0.076 10.638) 10.642 13.590 ( -20.429 1.072 18.623) 27.664 14.679 ( 27.004 64.643 37.473) 79.449 15.385 ( 0.415 -0.098 -7.187) 7.200 15.721 ( -0.155 0.035 2.041) 2.047 16.186 ( 0.101 -0.566 -1.329) 1.448 16.940 ( -6.199 -9.449 -10.100) 15.157 18.938 ( -11.457 -26.460 -16.781) 33.362 19.050 ( -1.481 -4.204 -3.353) 5.578 ======================= Grid point 71 (24/105) ======================= q-point: ( 0.25 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( 10.321 -9.216 1.151) 13.884 0.902 ( 9.733 -10.285 8.446) 16.488 1.271 ( -1.082 0.616 -6.451) 6.570 1.366 ( 4.753 -15.801 2.076) 16.631 1.558 ( 1.094 -5.583 7.007) 9.026 1.745 ( -0.251 -5.604 16.452) 17.382 1.855 ( 2.111 3.974 -2.415) 5.107 1.953 ( -1.929 8.328 2.000) 8.780 2.099 ( 1.156 3.588 -2.041) 4.287 2.173 ( -2.169 1.891 2.620) 3.892 2.355 ( 1.789 2.471 -2.943) 4.239 2.518 ( -1.265 -2.497 4.913) 5.655 2.630 ( -6.252 1.978 0.392) 6.569 2.650 ( 1.216 1.061 2.245) 2.765 3.030 ( 10.348 6.504 -6.005) 13.618 3.249 ( -5.521 -1.940 4.275) 7.247 3.311 ( -1.270 -3.274 17.661) 18.006 3.602 ( -2.715 -0.188 9.021) 9.423 4.593 ( -0.806 10.253 5.866) 11.840 4.772 ( 1.732 2.043 -4.439) 5.185 5.095 ( -0.413 -1.272 -0.540) 1.442 5.386 ( 2.117 11.917 -4.687) 12.980 7.155 ( -3.061 -5.142 3.927) 7.158 7.460 ( 4.692 -0.733 9.818) 10.906 7.944 ( -0.234 0.365 -14.603) 14.610 9.504 ( -13.898 -10.786 -6.780) 18.853 11.125 ( 0.465 0.064 22.986) 22.991 11.268 ( 0.380 -0.100 11.049) 11.056 13.366 ( -9.486 3.549 34.008) 35.484 14.377 ( 23.081 19.630 1.725) 30.349 15.393 ( 0.605 -0.201 -7.181) 7.209 15.718 ( -0.205 0.042 1.982) 1.994 16.199 ( 0.338 -0.732 -1.387) 1.604 16.946 ( -4.770 -1.255 -6.874) 8.460 19.013 ( -0.723 -0.604 -3.417) 3.545 19.141 ( -11.805 -11.033 -7.280) 17.723 ======================= Grid point 72 (25/105) ======================= q-point: ( 0.38 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( 4.174 -8.341 -4.408) 10.316 1.126 ( 5.521 -4.292 -3.300) 7.733 1.240 ( 3.915 -0.193 -0.729) 3.987 1.510 ( -2.107 -1.034 0.175) 2.353 1.730 ( -4.044 -1.087 6.936) 8.102 1.774 ( 2.150 4.041 2.227) 5.090 1.840 ( 1.253 -2.753 7.261) 7.866 1.931 ( 4.045 -8.912 3.610) 10.431 2.038 ( -0.239 -0.010 -1.792) 1.808 2.203 ( 2.570 -4.022 5.828) 7.533 2.322 ( 2.856 4.631 -0.629) 5.477 2.515 ( -5.175 2.806 0.744) 5.933 2.571 ( -0.436 -4.709 3.755) 6.038 2.637 ( 0.181 1.706 -0.147) 1.722 2.959 ( 3.139 13.366 -9.316) 16.592 3.176 ( -5.614 0.702 2.064) 6.023 3.321 ( -1.650 -0.764 16.195) 16.297 3.663 ( -0.030 -8.670 10.621) 13.710 4.396 ( -0.769 11.907 8.483) 14.640 4.756 ( 0.939 1.600 -4.452) 4.823 5.115 ( 0.334 -1.064 -0.645) 1.288 5.257 ( 0.379 5.487 -2.122) 5.895 7.170 ( -0.970 -0.889 11.231) 11.308 7.583 ( 3.401 -5.042 -3.591) 7.063 7.936 ( -0.154 0.289 -14.953) 14.957 9.488 ( -8.153 -3.720 -2.477) 9.297 11.128 ( 0.213 0.040 23.075) 23.076 11.273 ( 0.262 -0.065 11.446) 11.449 13.260 ( -2.822 1.715 31.196) 31.370 14.375 ( 10.686 5.969 -7.492) 14.351 15.403 ( 0.457 -0.176 -7.176) 7.193 15.715 ( -0.143 0.029 1.941) 1.946 16.214 ( 0.304 -0.502 -1.415) 1.532 16.908 ( -2.696 0.224 -6.160) 6.728 19.012 ( 0.335 0.358 -2.390) 2.440 19.153 ( -6.999 -4.396 -3.359) 8.922 ======================= Grid point 73 (26/105) ======================= q-point: (-0.50 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( 0.000 -0.000 -9.528) 9.528 1.140 ( 0.000 0.000 -10.009) 10.009 1.374 ( -0.000 0.000 1.076) 1.076 1.449 ( 0.000 -0.000 6.402) 6.402 1.637 ( -0.000 0.000 8.921) 8.921 1.765 ( 0.000 -0.000 -2.845) 2.845 1.896 ( 0.000 -0.000 17.630) 17.630 1.961 ( 0.000 -0.000 -1.837) 1.837 2.180 ( 0.000 0.000 -1.879) 1.879 2.218 ( 0.000 -0.000 0.641) 0.641 2.364 ( -0.000 0.000 4.545) 4.545 2.412 ( 0.000 -0.000 2.660) 2.660 2.612 ( 0.000 0.000 -0.419) 0.419 2.719 ( 0.000 -0.000 2.213) 2.213 2.720 ( -0.000 0.000 -9.975) 9.975 3.143 ( 0.000 -0.000 1.831) 1.831 3.319 ( 0.000 -0.000 16.353) 16.353 3.768 ( 0.000 -0.000 5.008) 5.008 4.266 ( 0.000 -0.000 11.568) 11.568 4.747 ( 0.000 -0.000 -4.430) 4.430 5.128 ( 0.000 -0.000 -1.114) 1.114 5.215 ( 0.000 -0.000 -0.773) 0.773 7.172 ( 0.000 -0.000 11.860) 11.860 7.647 ( 0.000 -0.000 -5.788) 5.788 7.932 ( 0.000 -0.000 -15.112) 15.112 9.469 ( 0.000 -0.000 -1.214) 1.214 11.128 ( 0.000 -0.000 23.070) 23.070 11.275 ( -0.000 -0.000 11.606) 11.606 13.232 ( 0.000 -0.000 29.720) 29.720 14.390 ( 0.000 -0.000 -9.241) 9.241 15.407 ( 0.000 -0.000 -7.176) 7.176 15.714 ( 0.000 -0.000 1.925) 1.925 16.220 ( 0.000 -0.000 -1.424) 1.424 16.890 ( 0.000 -0.000 -6.026) 6.026 19.011 ( 0.000 -0.000 -2.200) 2.200 19.147 ( -0.000 -0.000 -2.207) 2.207 ======================= Grid point 79 (27/105) ======================= q-point: ( 0.12 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.532 ( 9.144 -0.000 16.370) 18.751 0.709 ( 15.367 -0.000 14.571) 21.177 0.859 ( 15.746 -0.000 15.455) 22.063 1.343 ( -5.945 0.000 -2.244) 6.354 1.503 ( 2.232 -0.000 -1.417) 2.644 1.735 ( -14.479 0.000 29.075) 32.481 1.861 ( -0.665 0.000 -7.261) 7.292 2.127 ( -0.086 0.000 0.985) 0.988 2.245 ( -3.065 0.000 -0.135) 3.068 2.308 ( 3.331 -0.000 0.782) 3.421 2.390 ( -0.140 0.000 2.414) 2.419 2.494 ( -0.757 0.000 -3.743) 3.819 2.603 ( 3.356 -0.000 4.690) 5.767 2.698 ( -10.116 0.000 -2.028) 10.317 3.084 ( -3.196 0.000 1.415) 3.495 3.099 ( 3.067 -0.000 6.520) 7.205 3.274 ( -1.436 0.000 24.077) 24.120 3.643 ( 9.669 -0.000 -1.679) 9.813 4.757 ( 0.236 -0.000 2.411) 2.423 4.816 ( 2.930 -0.000 -3.691) 4.712 5.065 ( -0.871 0.000 -2.653) 2.792 5.793 ( 9.619 -0.000 -15.850) 18.541 6.886 ( -4.988 0.000 -6.990) 8.587 7.704 ( -24.772 0.000 33.026) 41.283 7.942 ( -0.012 0.000 -15.479) 15.479 9.020 ( 3.092 -0.000 2.560) 4.014 11.127 ( 0.609 -0.000 23.028) 23.036 11.266 ( 0.522 -0.000 10.885) 10.897 13.410 ( -12.913 0.000 26.358) 29.351 15.388 ( 0.538 -0.000 -7.209) 7.229 15.561 ( -15.013 0.000 -0.384) 15.018 15.715 ( -0.232 0.000 1.673) 1.689 16.217 ( 4.352 -0.000 -3.784) 5.767 16.620 ( -1.040 0.000 -1.237) 1.616 18.510 ( 0.464 -0.000 1.753) 1.813 19.052 ( 1.268 -0.000 -2.014) 2.380 ======================= Grid point 80 (28/105) ======================= q-point: ( 0.25 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.656 ( 7.728 -4.025 11.307) 14.274 0.872 ( 5.182 -10.005 17.867) 21.123 1.203 ( 13.977 -5.937 -3.574) 15.601 1.279 ( -0.702 -3.804 -2.001) 4.355 1.538 ( 3.479 -0.677 3.020) 4.657 1.654 ( -1.808 -3.398 24.270) 24.573 1.860 ( -1.445 -0.936 -4.834) 5.132 2.075 ( -1.810 6.951 -0.694) 7.216 2.176 ( -2.772 1.990 1.855) 3.884 2.258 ( 2.940 8.805 -0.022) 9.283 2.392 ( 2.487 -0.992 -0.294) 2.694 2.485 ( -0.798 0.155 -1.350) 1.576 2.579 ( -6.730 0.713 -0.011) 6.768 2.661 ( 1.137 -1.121 2.920) 3.328 3.100 ( -4.940 -5.123 0.446) 7.130 3.144 ( 1.577 -2.175 3.202) 4.180 3.265 ( -1.741 -1.193 24.161) 24.253 3.654 ( 1.277 5.871 4.185) 7.322 4.716 ( -0.220 5.605 3.089) 6.403 4.837 ( 3.411 1.873 -4.407) 5.879 5.072 ( 0.138 -1.209 -2.765) 3.021 5.679 ( 3.344 18.803 -10.157) 21.631 6.970 ( -3.381 -13.185 -6.492) 15.081 7.455 ( -9.103 1.588 25.250) 26.887 7.943 ( -0.234 -0.029 -15.246) 15.248 9.180 ( -2.653 -12.282 0.085) 12.565 11.131 ( 0.331 0.124 23.334) 23.336 11.273 ( 0.587 0.021 11.340) 11.355 13.299 ( -6.589 0.506 29.290) 30.027 15.045 ( 4.395 32.480 -2.303) 32.856 15.400 ( 0.781 -0.016 -7.208) 7.250 15.714 ( -0.347 -0.092 1.797) 1.833 16.219 ( 3.125 2.087 -2.027) 4.270 16.777 ( -6.451 -11.236 -5.833) 14.209 18.692 ( -6.937 -17.444 -1.857) 18.864 19.071 ( 1.967 -0.228 -1.975) 2.797 ======================= Grid point 81 (29/105) ======================= q-point: ( 0.38 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( 2.217 -7.524 4.697) 9.142 1.117 ( 7.896 -7.856 3.732) 11.747 1.210 ( -4.746 -5.052 -1.054) 7.011 1.436 ( -0.582 -1.243 -2.950) 3.253 1.652 ( 4.144 -5.660 6.731) 9.722 1.771 ( -1.536 -2.395 11.207) 11.562 1.880 ( 5.872 -2.948 2.335) 6.973 1.908 ( 0.424 4.317 -3.141) 5.356 2.120 ( -0.406 5.565 -2.024) 5.935 2.195 ( 3.353 0.372 5.820) 6.727 2.426 ( 4.037 3.109 -1.080) 5.208 2.475 ( -2.289 -1.614 2.023) 3.455 2.521 ( -1.813 -0.102 1.420) 2.305 2.665 ( 0.284 1.444 0.793) 1.672 3.073 ( -8.707 0.453 -4.733) 9.921 3.180 ( 2.997 2.378 -4.080) 5.593 3.273 ( -2.057 -2.112 22.389) 22.582 3.573 ( -0.559 0.232 14.419) 14.432 4.575 ( -0.762 10.609 4.163) 11.422 4.826 ( 2.959 3.777 -4.371) 6.490 5.099 ( 0.496 -1.377 -1.627) 2.188 5.413 ( 0.296 13.907 -4.778) 14.708 7.116 ( -0.802 -6.063 3.571) 7.082 7.446 ( -5.638 -8.834 6.662) 12.418 7.939 ( -0.135 0.245 -15.285) 15.287 9.316 ( -2.171 -8.558 -0.239) 8.832 11.132 ( 0.165 0.161 23.285) 23.286 11.277 ( 0.442 0.123 11.730) 11.739 13.239 ( -3.045 0.345 28.803) 28.966 14.703 ( 6.379 19.104 -7.319) 21.429 15.409 ( 0.673 0.047 -7.238) 7.269 15.712 ( -0.247 -0.095 1.814) 1.833 16.225 ( 1.920 0.851 -1.669) 2.682 16.831 ( -4.787 -4.652 -5.879) 8.895 18.836 ( -8.333 -11.304 -1.734) 14.150 19.110 ( 3.045 -1.183 -2.018) 3.840 ======================= Grid point 82 (30/105) ======================= q-point: ( 0.50 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( -1.130 -6.447 -3.855) 7.596 1.164 ( -2.533 -1.653 -8.613) 9.129 1.368 ( -6.150 3.548 0.536) 7.120 1.412 ( 8.060 -7.977 5.743) 12.711 1.555 ( -8.640 5.271 4.312) 11.001 1.824 ( 1.203 -5.341 13.867) 14.909 1.890 ( 1.806 -0.581 -0.451) 1.951 2.011 ( 0.795 5.953 -3.351) 6.878 2.102 ( 4.784 -5.449 -0.993) 7.319 2.296 ( 4.366 -2.038 7.661) 9.050 2.382 ( 2.132 3.765 2.007) 4.769 2.446 ( 0.280 3.514 2.974) 4.612 2.559 ( -0.745 -4.122 0.204) 4.194 2.653 ( 1.777 -0.812 -3.144) 3.702 2.871 ( -6.555 11.232 -6.505) 14.541 3.161 ( 1.743 1.348 2.196) 3.111 3.288 ( -1.631 -2.362 16.889) 17.131 3.669 ( 0.387 -9.363 10.180) 13.836 4.376 ( -0.862 11.528 7.184) 13.611 4.790 ( 1.998 3.719 -4.483) 6.157 5.120 ( -0.101 -0.780 -1.150) 1.393 5.257 ( -0.254 5.639 -1.785) 5.920 7.166 ( 0.553 -1.268 10.999) 11.086 7.533 ( -6.940 -8.538 -3.785) 11.635 7.934 ( 0.003 0.186 -15.243) 15.244 9.433 ( 2.602 -6.039 -0.732) 6.616 11.130 ( 0.020 0.167 23.115) 23.115 11.278 ( 0.181 0.240 11.834) 11.838 13.218 ( -1.100 -0.610 28.387) 28.415 14.506 ( 1.363 11.923 -9.266) 15.162 15.412 ( 0.282 0.305 -7.233) 7.245 15.712 ( -0.096 -0.140 1.858) 1.866 16.229 ( 0.982 0.657 -1.543) 1.943 16.852 ( -2.089 -3.161 -5.773) 6.906 18.897 ( -6.099 -6.766 -0.998) 9.164 19.177 ( 4.685 -1.742 -2.589) 5.629 ======================= Grid point 83 (31/105) ======================= q-point: (-0.38 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( -5.772 2.759 -9.809) 11.711 1.137 ( -1.051 1.204 -7.450) 7.619 1.244 ( -3.849 4.659 4.062) 7.281 1.397 ( -8.628 -4.615 2.690) 10.147 1.646 ( 5.476 -6.796 3.877) 9.550 1.880 ( 4.229 4.746 5.086) 8.142 1.898 ( 0.625 2.244 11.812) 12.040 1.977 ( 1.415 -3.107 -3.449) 4.853 2.155 ( -4.256 14.421 1.433) 15.104 2.208 ( 0.855 -4.372 1.566) 4.722 2.287 ( -2.170 7.258 2.507) 7.979 2.509 ( 3.555 -3.853 1.068) 5.350 2.600 ( 0.160 -2.584 -0.562) 2.649 2.663 ( -1.434 6.306 3.015) 7.135 2.759 ( -0.456 -6.293 -6.723) 9.220 3.204 ( 4.210 -2.435 5.999) 7.723 3.317 ( -0.063 -2.691 10.889) 11.217 3.768 ( 0.024 1.059 5.162) 5.270 4.264 ( -0.133 -1.730 11.368) 11.499 4.759 ( 0.846 1.958 -4.823) 5.274 5.121 ( -0.508 0.108 -0.485) 0.711 5.211 ( -0.279 0.058 -0.749) 0.802 7.186 ( 1.270 -0.231 13.272) 13.334 7.539 ( -7.654 -2.104 -5.969) 9.932 7.934 ( 0.069 -0.100 -15.007) 15.007 9.574 ( 7.213 -4.285 -2.823) 8.852 11.127 ( -0.129 0.173 22.959) 22.960 11.274 ( -0.053 0.306 11.600) 11.604 13.240 ( 0.606 -2.737 30.310) 30.439 14.319 ( -5.116 9.052 -8.830) 13.641 15.406 ( -0.121 0.525 -7.211) 7.231 15.715 ( 0.033 -0.164 1.935) 1.942 16.225 ( 0.348 0.778 -1.438) 1.672 16.894 ( 0.253 -3.248 -5.839) 6.687 18.933 ( -3.500 -4.611 -0.848) 5.850 19.266 ( 6.503 -1.301 -4.241) 7.872 ======================= Grid point 84 (32/105) ======================= q-point: (-0.25 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.733 ( -8.235 11.242 -2.872) 14.228 1.049 ( -1.044 12.742 2.852) 13.099 1.189 ( -1.445 -5.328 -9.340) 10.850 1.460 ( -2.665 -7.333 1.159) 7.888 1.713 ( -2.177 15.738 8.069) 17.819 1.775 ( 0.359 0.015 -0.657) 0.749 1.852 ( 0.630 6.741 12.577) 14.283 1.895 ( -0.131 1.717 4.829) 5.127 2.104 ( 4.249 -3.966 -2.407) 6.291 2.164 ( -1.329 3.045 -0.419) 3.349 2.289 ( 0.176 -3.968 -1.185) 4.145 2.580 ( 0.223 3.126 5.399) 6.242 2.591 ( -1.230 -3.542 1.393) 4.000 2.662 ( 4.539 -2.108 -0.114) 5.006 2.810 ( -7.006 -5.376 -4.140) 9.754 3.280 ( 1.752 -1.580 19.632) 19.773 3.378 ( 2.598 -0.771 -4.751) 5.470 3.675 ( 0.763 5.959 9.722) 11.429 4.408 ( 0.316 -12.431 9.175) 15.453 4.746 ( -0.080 0.162 -4.888) 4.891 5.113 ( 0.176 0.407 0.112) 0.457 5.242 ( -0.695 -4.566 -1.873) 4.984 7.215 ( 2.896 -1.120 15.536) 15.844 7.434 ( -7.055 4.537 -5.086) 9.810 7.938 ( 0.057 -0.382 -14.669) 14.674 9.712 ( 8.017 -1.153 -7.707) 11.180 11.122 ( -0.236 0.194 22.792) 22.794 11.268 ( -0.132 0.291 11.156) 11.161 13.343 ( 3.735 -8.272 37.529) 38.611 14.095 ( -10.591 7.543 -6.689) 14.622 15.394 ( -0.230 0.513 -7.190) 7.212 15.718 ( 0.071 -0.147 2.012) 2.018 16.213 ( 0.101 0.930 -1.355) 1.646 16.956 ( 1.256 -3.103 -6.160) 7.011 18.970 ( -1.358 -3.177 -1.249) 3.674 19.351 ( 6.568 0.580 -8.241) 10.554 ======================= Grid point 85 (33/105) ======================= q-point: (-0.12 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.467 ( 0.000 13.668 -0.019) 13.668 0.796 ( 0.000 16.463 6.196) 17.591 1.281 ( -0.000 -6.093 -10.602) 12.228 1.340 ( 0.000 22.669 19.463) 29.878 1.524 ( -0.000 -0.305 1.908) 1.932 1.748 ( 0.000 1.413 16.670) 16.730 1.814 ( -0.000 -3.569 -2.106) 4.144 1.974 ( -0.000 -6.577 1.512) 6.748 2.092 ( 0.000 1.447 -2.496) 2.885 2.234 ( -0.000 -4.623 -1.908) 5.001 2.346 ( -0.000 -2.773 -3.240) 4.265 2.540 ( 0.000 1.613 5.741) 5.963 2.605 ( 0.000 0.620 4.928) 4.966 2.757 ( -0.000 -2.996 -2.420) 3.852 2.822 ( -0.000 -5.006 -1.019) 5.109 3.304 ( -0.000 -0.448 24.178) 24.183 3.326 ( 0.000 6.884 3.360) 7.660 3.653 ( 0.000 0.565 1.073) 1.213 4.604 ( -0.000 -10.393 6.443) 12.228 4.752 ( -0.000 -1.036 -4.523) 4.640 5.108 ( 0.000 0.598 -0.190) 0.627 5.348 ( -0.000 -9.229 -3.685) 9.938 7.239 ( 0.000 11.528 -8.062) 14.067 7.333 ( -0.000 -10.505 25.895) 27.945 7.946 ( -0.000 -0.516 -14.283) 14.292 9.731 ( 0.000 7.245 -16.385) 17.915 11.116 ( 0.000 0.195 22.642) 22.643 11.263 ( 0.000 0.199 10.754) 10.756 13.663 ( -0.000 -28.508 57.262) 63.966 13.863 ( 0.000 8.454 -6.763) 10.827 15.386 ( 0.000 0.320 -7.190) 7.197 15.720 ( -0.000 -0.096 2.056) 2.058 16.198 ( 0.000 0.918 -1.296) 1.588 17.006 ( -0.000 -1.409 -7.268) 7.404 19.003 ( -0.000 -1.735 -2.069) 2.700 19.345 ( 0.000 7.581 -16.664) 18.308 ======================= Grid point 88 (34/105) ======================= q-point: ( 0.25 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.735 ( -1.401 0.000 22.643) 22.686 0.793 ( 13.378 -0.000 9.404) 16.352 1.148 ( -10.852 0.000 0.357) 10.858 1.374 ( 11.626 -0.000 -7.744) 13.969 1.561 ( 1.824 -0.000 21.815) 21.892 1.677 ( 12.900 -0.000 11.646) 17.380 1.829 ( -2.558 0.000 -4.135) 4.862 2.124 ( -0.013 0.000 -0.959) 0.959 2.143 ( -6.542 0.000 -0.173) 6.544 2.318 ( -6.398 0.000 -2.621) 6.914 2.407 ( 3.895 -0.000 -2.337) 4.542 2.495 ( 1.521 -0.000 -3.625) 3.931 2.531 ( -1.625 0.000 0.924) 1.869 2.665 ( 1.930 -0.000 3.807) 4.269 3.001 ( -3.707 0.000 1.670) 4.065 3.131 ( 0.543 -0.000 8.514) 8.531 3.230 ( -2.369 0.000 24.495) 24.609 3.703 ( -2.974 0.000 4.529) 5.418 4.766 ( 0.486 -0.000 1.987) 2.045 4.897 ( 3.946 -0.000 -3.923) 5.564 5.063 ( 0.433 -0.000 -5.513) 5.530 5.921 ( 2.178 -0.000 -14.296) 14.461 6.746 ( -6.833 0.000 -6.121) 9.174 7.349 ( -8.858 0.000 28.225) 29.582 7.941 ( -0.017 0.000 -15.762) 15.762 9.105 ( 4.087 -0.000 2.080) 4.586 11.135 ( 0.161 -0.000 23.510) 23.510 11.280 ( 0.623 -0.000 11.836) 11.853 13.246 ( -3.670 0.000 27.833) 28.074 15.258 ( -11.928 0.000 -8.902) 14.884 15.402 ( 0.653 -0.000 -7.231) 7.261 15.709 ( -0.285 0.000 1.581) 1.607 16.320 ( 4.111 -0.000 -4.845) 6.354 16.591 ( -1.375 0.000 -1.812) 2.275 18.524 ( 0.742 -0.000 1.864) 2.006 19.090 ( 1.907 -0.000 -2.179) 2.896 ======================= Grid point 89 (35/105) ======================= q-point: ( 0.38 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( 0.226 -3.243 13.474) 13.860 1.037 ( -4.742 -6.536 5.150) 9.577 1.057 ( 5.624 -7.090 2.399) 9.362 1.447 ( 1.912 -0.498 -5.484) 5.829 1.607 ( 1.242 -3.250 20.844) 21.133 1.743 ( -3.694 2.354 3.170) 5.407 1.869 ( -1.667 -2.718 0.461) 3.222 2.041 ( 8.878 4.619 -2.123) 10.230 2.143 ( 0.199 -0.047 1.348) 1.363 2.251 ( 0.555 1.742 -2.364) 2.989 2.443 ( 0.325 -0.929 -3.787) 3.912 2.504 ( 2.759 1.511 -0.630) 3.208 2.530 ( 2.387 0.984 1.674) 3.077 2.684 ( 0.713 0.091 2.224) 2.337 2.979 ( -4.367 -1.398 0.219) 4.590 3.159 ( -1.448 -3.268 0.242) 3.582 3.220 ( -1.424 -1.577 26.940) 27.023 3.609 ( -4.922 4.200 11.035) 12.792 4.714 ( 0.050 6.708 1.784) 6.941 4.918 ( 3.562 2.501 -4.490) 6.254 5.083 ( 0.571 -1.322 -4.364) 4.596 5.707 ( -0.166 20.436 -8.373) 22.086 6.880 ( -4.555 -18.426 -7.774) 20.511 7.283 ( -5.418 -1.739 22.351) 23.064 7.941 ( -0.036 0.108 -15.764) 15.765 9.200 ( 2.755 -5.827 1.444) 6.605 11.135 ( 0.076 0.113 23.411) 23.411 11.285 ( 0.477 0.145 12.250) 12.260 13.214 ( -2.002 0.108 27.142) 27.216 15.006 ( -4.933 14.268 -10.120) 18.174 15.414 ( 0.461 -0.317 -7.337) 7.359 15.707 ( -0.248 -0.130 1.604) 1.628 16.299 ( 3.327 4.498 -2.816) 6.263 16.672 ( -3.179 -8.033 -4.158) 9.588 18.606 ( -1.715 -8.208 1.160) 8.465 19.120 ( 2.167 -1.113 -2.238) 3.308 ======================= Grid point 90 (36/105) ======================= q-point: ( 0.50 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( -1.150 -6.141 3.705) 7.264 1.010 ( -8.059 -6.254 1.357) 10.291 1.348 ( 6.992 -6.666 2.532) 9.987 1.437 ( 2.585 1.237 -3.639) 4.632 1.558 ( -7.540 4.544 1.454) 8.923 1.734 ( 0.009 -5.323 17.429) 18.224 1.839 ( -3.844 -3.022 -1.985) 5.278 2.096 ( 0.416 2.289 0.072) 2.328 2.113 ( 1.347 1.273 -1.838) 2.611 2.334 ( 9.976 -0.550 4.683) 11.035 2.445 ( 1.074 1.047 -0.940) 1.771 2.507 ( -0.222 1.120 1.906) 2.221 2.547 ( 4.822 1.443 0.404) 5.050 2.684 ( 2.399 1.234 -1.006) 2.879 2.915 ( -4.847 3.489 -3.427) 6.885 3.175 ( -3.644 -1.971 -6.044) 7.327 3.230 ( -1.160 -0.895 25.185) 25.227 3.551 ( -1.355 -3.859 16.458) 16.958 4.562 ( -0.398 11.331 2.514) 11.614 4.894 ( 2.763 4.843 -4.596) 7.226 5.105 ( -0.054 -0.870 -2.338) 2.496 5.409 ( -0.419 14.115 -4.176) 14.726 7.105 ( -0.368 -10.521 -1.091) 10.583 7.285 ( -6.767 -7.246 11.063) 14.855 7.937 ( -0.003 0.217 -15.588) 15.590 9.344 ( 2.787 -8.060 0.380) 8.537 11.133 ( 0.018 0.193 23.197) 23.198 11.285 ( 0.243 0.327 12.353) 12.360 13.198 ( -0.997 -0.256 26.717) 26.737 14.739 ( -1.210 14.561 -10.424) 17.948 15.420 ( 0.293 0.168 -7.365) 7.373 15.708 ( -0.130 -0.208 1.690) 1.708 16.270 ( 1.753 2.681 -2.019) 3.787 16.750 ( -2.365 -5.874 -4.944) 8.034 18.714 ( -3.016 -8.200 0.683) 8.763 19.179 ( 2.631 -2.824 -2.575) 4.639 ======================= Grid point 91 (37/105) ======================= q-point: (-0.38 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( -1.821 -4.259 -5.795) 7.419 1.061 ( -4.201 -7.809 -0.380) 8.876 1.236 ( -4.186 6.950 3.505) 8.838 1.410 ( -1.729 7.329 -1.732) 7.727 1.637 ( 7.814 -4.378 1.750) 9.126 1.824 ( -1.633 -8.822 9.487) 13.057 1.894 ( -0.855 -4.718 3.516) 5.946 2.024 ( 0.857 5.412 -3.017) 6.255 2.132 ( -1.817 -2.231 2.780) 4.001 2.348 ( 2.773 7.943 4.234) 9.419 2.404 ( -0.111 6.474 3.563) 7.391 2.476 ( -1.468 -0.361 0.641) 1.642 2.591 ( 3.404 -1.034 -1.266) 3.776 2.706 ( 2.949 1.215 -1.425) 3.493 2.774 ( -2.762 6.369 -3.342) 7.705 3.194 ( 1.278 -3.661 1.181) 4.053 3.245 ( -1.968 -3.164 17.095) 17.496 3.676 ( 0.155 -9.731 9.923) 13.899 4.362 ( -0.369 11.496 6.134) 13.035 4.831 ( 1.266 5.145 -5.191) 7.418 5.111 ( -0.448 -0.400 -0.735) 0.949 5.252 ( -0.154 5.459 -1.382) 5.634 7.193 ( 1.707 -0.900 14.288) 14.418 7.364 ( -5.977 -9.592 -6.016) 12.803 7.934 ( 0.019 0.134 -15.293) 15.294 9.518 ( 2.974 -8.904 -1.437) 9.497 11.130 ( -0.029 0.260 22.997) 22.998 11.280 ( 0.050 0.444 12.087) 12.096 13.204 ( -0.268 -1.529 27.426) 27.470 14.492 ( -1.205 14.566 -9.709) 17.547 15.415 ( 0.054 0.613 -7.322) 7.348 15.711 ( -0.024 -0.253 1.819) 1.837 16.248 ( 0.528 1.625 -1.666) 2.386 16.821 ( -0.674 -5.093 -5.283) 7.369 18.807 ( -1.920 -6.772 0.314) 7.046 19.266 ( 2.420 -4.121 -3.547) 5.952 ======================= Grid point 92 (38/105) ======================= q-point: (-0.25 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( 0.000 7.586 -7.675) 10.791 1.108 ( -0.000 -2.603 -3.663) 4.494 1.247 ( 0.000 11.159 -0.550) 11.172 1.259 ( -0.000 -11.114 2.936) 11.495 1.729 ( -0.000 -3.452 1.462) 3.749 1.888 ( 0.000 3.330 16.488) 16.821 1.941 ( 0.000 5.446 0.628) 5.482 2.000 ( -0.000 -9.330 -4.557) 10.384 2.069 ( 0.000 12.534 0.738) 12.556 2.247 ( 0.000 0.364 6.157) 6.168 2.270 ( 0.000 8.630 0.624) 8.653 2.504 ( -0.000 -4.069 -0.635) 4.119 2.646 ( -0.000 -2.256 -0.577) 2.329 2.651 ( 0.000 4.037 2.181) 4.588 2.731 ( -0.000 -0.682 -2.479) 2.571 3.260 ( -0.000 -1.955 21.684) 21.772 3.319 ( -0.000 -6.824 -6.393) 9.351 3.768 ( 0.000 1.370 5.328) 5.501 4.263 ( -0.000 -2.451 11.171) 11.437 4.771 ( 0.000 2.826 -5.319) 6.023 5.114 ( -0.000 -0.253 0.203) 0.325 5.207 ( 0.000 0.351 -0.683) 0.768 7.212 ( -0.000 -0.694 17.264) 17.278 7.424 ( -0.000 -1.785 -8.808) 8.987 7.934 ( -0.000 -0.125 -14.956) 14.956 9.675 ( -0.000 -7.382 -4.341) 8.564 11.125 ( 0.000 0.295 22.839) 22.841 11.273 ( 0.000 0.432 11.593) 11.601 13.249 ( -0.000 -4.485 31.040) 31.362 14.244 ( 0.000 14.291 -8.473) 16.614 15.404 ( 0.000 0.730 -7.244) 7.281 15.715 ( -0.000 -0.229 1.944) 1.958 16.230 ( 0.000 1.056 -1.451) 1.794 16.897 ( -0.000 -4.551 -5.656) 7.260 18.893 ( -0.000 -5.143 -0.325) 5.153 19.350 ( -0.000 -3.767 -5.474) 6.645 ======================= Grid point 97 (39/105) ======================= q-point: ( 0.38 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( -1.042 0.000 15.168) 15.204 0.894 ( -9.713 0.000 3.510) 10.327 1.109 ( 13.241 -0.000 4.111) 13.864 1.449 ( 1.031 -0.000 -0.271) 1.066 1.600 ( 1.222 -0.000 23.548) 23.579 1.731 ( -6.284 0.000 -0.457) 6.300 1.745 ( -10.534 0.000 1.541) 10.646 2.126 ( 0.071 -0.000 -3.128) 3.129 2.178 ( 1.473 -0.000 -0.677) 1.621 2.350 ( 16.799 -0.000 -2.127) 16.933 2.440 ( 0.180 -0.000 -8.106) 8.108 2.549 ( 2.066 -0.000 0.411) 2.106 2.568 ( 3.361 -0.000 -0.164) 3.365 2.688 ( 0.290 -0.000 3.164) 3.177 2.940 ( -1.538 0.000 2.007) 2.528 3.094 ( -5.016 0.000 -0.230) 5.022 3.202 ( 0.632 -0.000 28.470) 28.477 3.563 ( -8.098 0.000 14.193) 16.341 4.776 ( 0.371 -0.000 1.581) 1.624 4.976 ( 2.759 -0.000 -4.222) 5.043 5.075 ( 0.515 -0.000 -6.906) 6.925 5.928 ( -0.735 0.000 -10.656) 10.682 6.610 ( -4.724 0.000 -5.497) 7.248 7.233 ( -2.561 0.000 22.424) 22.570 7.941 ( -0.010 0.000 -16.041) 16.041 9.185 ( 2.735 -0.000 1.875) 3.316 11.137 ( 0.026 -0.000 23.375) 23.375 11.291 ( 0.359 -0.000 12.696) 12.701 13.198 ( -1.118 0.000 26.540) 26.563 15.042 ( -6.946 0.000 -12.012) 13.876 15.414 ( 0.379 -0.000 -7.293) 7.303 15.704 ( -0.172 0.000 1.489) 1.499 16.389 ( 2.021 -0.000 -4.371) 4.816 16.565 ( -0.900 0.000 -2.336) 2.504 18.540 ( 0.589 -0.000 1.972) 2.058 19.129 ( 1.387 -0.000 -2.268) 2.658 ======================= Grid point 98 (40/105) ======================= q-point: ( 0.50 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( -0.981 -3.381 9.094) 9.751 0.842 ( -5.353 -4.511 4.942) 8.569 1.317 ( 9.889 -8.120 1.633) 12.900 1.478 ( 1.464 0.551 -2.975) 3.361 1.538 ( -6.454 3.779 2.801) 7.986 1.661 ( -0.032 -3.465 22.101) 22.371 1.717 ( -7.095 -3.817 0.405) 8.067 2.116 ( -0.019 0.981 -0.837) 1.289 2.153 ( -0.557 2.553 -2.707) 3.762 2.441 ( 0.731 0.241 -5.581) 5.634 2.494 ( 6.879 2.193 1.463) 7.367 2.557 ( 4.580 3.509 -0.591) 5.799 2.603 ( 1.915 0.401 0.305) 1.980 2.722 ( 4.873 -2.232 0.014) 5.360 2.917 ( -1.393 1.487 0.485) 2.094 3.051 ( -7.237 -3.640 -5.049) 9.545 3.219 ( 0.433 -0.349 27.197) 27.203 3.485 ( -4.249 -1.068 19.361) 19.850 4.716 ( 0.065 7.332 1.005) 7.401 4.981 ( 1.678 2.396 -4.454) 5.329 5.090 ( 0.085 -0.944 -5.221) 5.307 5.696 ( -0.469 20.128 -7.140) 21.363 6.792 ( -2.497 -20.404 -7.281) 21.808 7.213 ( -1.298 -0.059 20.390) 20.431 7.940 ( -0.004 0.113 -15.979) 15.980 9.254 ( 1.502 -5.376 1.433) 5.763 11.136 ( 0.006 0.113 23.246) 23.246 11.292 ( 0.165 0.225 12.835) 12.838 13.188 ( -0.494 0.042 26.194) 26.199 14.909 ( -2.662 8.664 -12.098) 15.117 15.421 ( 0.154 -0.289 -7.399) 7.406 15.704 ( -0.084 -0.150 1.519) 1.529 16.350 ( 1.166 4.650 -2.999) 5.655 16.627 ( -0.937 -6.376 -3.677) 7.420 18.587 ( -0.260 -4.929 1.733) 5.231 19.157 ( 0.937 -1.944 -2.388) 3.219 ======================= Grid point 99 (41/105) ======================= q-point: (-0.38 -0.62 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( -0.000 -5.838 1.553) 6.041 0.912 ( -0.000 -7.073 4.599) 8.436 1.347 ( 0.000 8.616 1.155) 8.693 1.486 ( 0.000 2.199 -2.973) 3.698 1.589 ( -0.000 -12.927 0.621) 12.942 1.685 ( -0.000 -0.114 0.657) 0.667 1.781 ( -0.000 -7.978 15.738) 17.644 2.099 ( 0.000 3.559 -4.180) 5.490 2.104 ( 0.000 0.077 4.684) 4.684 2.442 ( 0.000 0.546 -2.182) 2.249 2.475 ( 0.000 3.993 4.041) 5.681 2.506 ( 0.000 4.460 0.809) 4.533 2.606 ( 0.000 0.303 -0.228) 0.379 2.783 ( 0.000 1.718 -2.778) 3.266 2.845 ( 0.000 5.440 -1.642) 5.683 3.092 ( -0.000 -6.722 -5.664) 8.790 3.218 ( -0.000 -0.079 25.197) 25.197 3.532 ( -0.000 -6.862 17.152) 18.473 4.557 ( 0.000 11.678 1.897) 11.831 4.930 ( 0.000 5.128 -4.893) 7.088 5.102 ( -0.000 -0.491 -2.445) 2.494 5.403 ( 0.000 13.963 -3.846) 14.483 7.098 ( -0.000 -17.604 -8.392) 19.501 7.204 ( 0.000 0.009 18.576) 18.576 7.937 ( 0.000 0.201 -15.668) 15.669 9.383 ( -0.000 -8.861 0.235) 8.864 11.133 ( 0.000 0.211 23.109) 23.110 11.288 ( 0.000 0.406 12.593) 12.600 13.187 ( -0.000 -0.377 26.173) 26.176 14.716 ( 0.000 13.160 -11.094) 17.213 15.423 ( 0.000 0.213 -7.426) 7.430 15.707 ( -0.000 -0.250 1.652) 1.671 16.291 ( 0.000 3.262 -2.157) 3.910 16.724 ( -0.000 -6.122 -4.572) 7.641 18.683 ( -0.000 -6.915 1.195) 7.018 19.211 ( -0.000 -3.771 -2.808) 4.702 ======================= Grid point 108 (42/105) ======================= q-point: (-0.50 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 97 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( 0.000 -0.000 12.094) 12.094 0.768 ( 0.000 -0.000 4.544) 4.544 1.311 ( 0.000 -0.000 1.499) 1.499 1.475 ( -0.000 0.000 4.653) 4.653 1.566 ( 0.000 -0.000 -2.775) 2.775 1.611 ( 0.000 -0.000 2.296) 2.296 1.631 ( -0.000 0.000 23.947) 23.947 2.126 ( 0.000 -0.000 -4.141) 4.141 2.173 ( 0.000 -0.000 -1.542) 1.542 2.441 ( 0.000 -0.000 -8.830) 8.830 2.540 ( 0.000 -0.000 2.366) 2.366 2.608 ( 0.000 -0.000 -0.374) 0.374 2.689 ( 0.000 -0.000 3.331) 3.331 2.707 ( -0.000 0.000 -3.438) 3.438 2.925 ( 0.000 -0.000 2.050) 2.050 2.956 ( -0.000 0.000 -6.992) 6.992 3.223 ( 0.000 -0.000 28.691) 28.691 3.443 ( 0.000 -0.000 21.342) 21.342 4.780 ( 0.000 -0.000 1.417) 1.417 5.009 ( 0.000 -0.000 -4.363) 4.363 5.082 ( 0.000 -0.000 -7.305) 7.305 5.916 ( 0.000 -0.000 -9.380) 9.380 6.554 ( 0.000 -0.000 -5.296) 5.296 7.207 ( 0.000 -0.000 20.769) 20.769 7.941 ( 0.000 -0.000 -16.156) 16.156 9.217 ( 0.000 -0.000 1.856) 1.856 11.137 ( 0.000 -0.000 23.257) 23.257 11.295 ( 0.000 -0.000 13.026) 13.026 13.186 ( 0.000 -0.000 26.175) 26.175 14.963 ( 0.000 -0.000 -12.850) 12.850 15.419 ( 0.000 -0.000 -7.330) 7.330 15.702 ( 0.000 -0.000 1.450) 1.450 16.411 ( 0.000 -0.000 -4.062) 4.062 16.554 ( 0.000 -0.000 -2.538) 2.538 18.547 ( 0.000 -0.000 2.016) 2.016 19.145 ( 0.000 -0.000 -2.296) 2.296 ======================= Grid point 138 (43/105) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.225 ( 0.000 0.000 7.651) 7.651 0.822 ( 0.000 0.000 20.065) 20.065 1.276 ( 0.000 0.000 -10.758) 10.758 1.321 ( 0.000 0.000 17.032) 17.032 1.390 ( 0.000 0.000 -4.153) 4.153 1.719 ( 0.000 0.000 -5.979) 5.979 2.174 ( 0.000 0.000 3.036) 3.036 2.181 ( 0.000 0.000 3.208) 3.208 2.278 ( 0.000 0.000 -0.819) 0.819 2.296 ( 0.000 0.000 1.070) 1.070 2.416 ( 0.000 0.000 -5.763) 5.763 2.575 ( 0.000 0.000 3.286) 3.286 2.676 ( 0.000 0.000 6.206) 6.206 2.824 ( 0.000 0.000 3.342) 3.342 2.901 ( 0.000 0.000 -1.406) 1.406 3.147 ( 0.000 0.000 0.895) 0.895 3.894 ( 0.000 0.000 34.092) 34.092 3.908 ( 0.000 0.000 35.445) 35.445 4.686 ( 0.000 0.000 -5.001) 5.001 4.833 ( 0.000 0.000 4.778) 4.778 5.075 ( 0.000 0.000 -0.651) 0.651 5.463 ( 0.000 0.000 -8.750) 8.750 6.738 ( 0.000 0.000 -14.065) 14.065 7.551 ( 0.000 0.000 -25.009) 25.009 8.341 ( 0.000 0.000 8.430) 8.430 9.019 ( 0.000 0.000 0.345) 0.345 11.538 ( 0.000 0.000 18.119) 18.119 11.705 ( 0.000 0.000 37.699) 37.699 13.553 ( 0.000 0.000 -11.212) 11.212 15.169 ( 0.000 0.000 -15.315) 15.315 15.765 ( 0.000 0.000 3.104) 3.104 15.929 ( 0.000 0.000 5.957) 5.957 16.164 ( 0.000 0.000 -0.902) 0.902 16.601 ( 0.000 0.000 -2.359) 2.359 18.552 ( 0.000 0.000 3.240) 3.240 18.987 ( 0.000 0.000 -3.483) 3.483 ======================= Grid point 139 (44/105) ======================= q-point: ( 0.12 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.463 ( 22.196 -4.214 2.256) 22.705 0.837 ( 2.734 -2.160 14.885) 15.287 1.193 ( 0.301 7.161 -10.048) 12.342 1.375 ( -6.930 -9.238 7.796) 13.934 1.511 ( 4.645 -8.276 3.842) 10.238 1.731 ( 0.622 -1.267 -5.980) 6.144 2.067 ( -5.180 11.937 3.583) 13.497 2.113 ( -1.074 6.272 2.023) 6.677 2.197 ( 5.322 8.613 2.754) 10.493 2.303 ( 1.038 -0.244 2.336) 2.568 2.339 ( -1.621 3.537 -0.707) 3.955 2.562 ( -3.814 -3.882 2.201) 5.870 2.698 ( 1.068 -0.969 4.531) 4.755 2.753 ( -7.034 1.574 2.040) 7.491 2.950 ( 9.166 4.172 -0.970) 10.118 3.209 ( -3.306 -5.297 -2.814) 6.849 3.882 ( -0.816 0.399 33.658) 33.670 3.939 ( 1.842 -1.046 32.047) 32.117 4.684 ( 1.451 1.457 -5.025) 5.430 4.812 ( -0.509 2.733 5.265) 5.954 5.075 ( -1.649 -1.456 -0.350) 2.227 5.405 ( 2.759 8.290 -7.756) 11.683 6.826 ( -1.287 -10.731 -14.317) 17.939 7.544 ( -0.069 0.647 -24.567) 24.576 8.091 ( -4.464 17.078 17.793) 25.063 9.209 ( -2.913 -16.247 -6.297) 17.667 11.545 ( 0.776 -0.304 18.459) 18.477 11.709 ( 0.628 -0.060 37.539) 37.545 13.602 ( 2.852 -3.732 -8.855) 10.023 15.171 ( 0.133 0.194 -14.947) 14.948 15.341 ( -4.583 44.655 27.605) 52.698 15.776 ( -0.454 0.208 3.802) 3.835 16.149 ( -0.311 -0.485 -2.434) 2.501 16.750 ( -3.504 -8.538 -9.323) 13.118 18.743 ( -2.558 -17.956 -4.326) 18.646 18.995 ( 0.405 -0.869 -3.297) 3.433 ======================= Grid point 140 (45/105) ======================= q-point: ( 0.25 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( 12.484 -1.031 -0.290) 12.530 0.978 ( 5.130 -3.477 1.432) 6.361 1.126 ( 7.279 0.669 -6.358) 9.688 1.423 ( -5.297 -5.443 2.039) 7.864 1.671 ( -1.515 -5.973 1.525) 6.348 1.803 ( 3.734 -5.867 -0.760) 6.995 1.872 ( -0.059 6.160 -0.997) 6.240 1.979 ( -2.561 6.231 1.220) 6.846 2.125 ( 3.782 6.813 4.000) 8.759 2.266 ( -1.062 2.767 0.739) 3.055 2.344 ( 3.169 -1.274 3.174) 4.663 2.605 ( -3.088 -1.797 0.417) 3.597 2.662 ( -5.047 -2.025 5.555) 7.774 2.705 ( 0.370 0.650 3.619) 3.696 2.931 ( 5.800 9.006 -3.158) 11.167 3.192 ( -6.439 -0.284 -4.479) 7.849 3.853 ( -0.477 2.420 30.318) 30.418 3.969 ( 0.499 -1.184 29.727) 29.755 4.665 ( 1.405 2.983 -4.985) 5.977 4.728 ( -0.890 6.240 6.766) 9.247 5.088 ( -1.156 -1.802 -0.247) 2.155 5.297 ( 1.356 6.533 -3.200) 7.400 7.011 ( -0.560 -11.880 -14.427) 18.698 7.534 ( 0.203 0.499 -23.379) 23.385 7.844 ( -1.251 9.022 20.413) 22.353 9.366 ( -6.411 -9.628 -7.849) 13.979 11.562 ( 1.068 -0.409 19.259) 19.293 11.717 ( 0.572 0.012 37.355) 37.360 13.722 ( 3.048 -6.355 -1.157) 7.142 14.673 ( -0.267 31.425 30.275) 43.637 15.183 ( 0.676 -0.167 -15.025) 15.041 15.771 ( -0.391 -0.017 3.542) 3.563 16.160 ( 0.140 -0.791 -2.700) 2.817 16.775 ( -4.114 -1.437 -10.665) 11.521 18.921 ( -3.541 -7.536 -4.851) 9.637 19.034 ( -1.558 -4.685 -4.106) 6.421 ======================= Grid point 141 (46/105) ======================= q-point: ( 0.38 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( 5.187 1.250 -8.158) 9.748 0.980 ( 0.220 1.298 -6.069) 6.210 1.319 ( 9.503 -4.459 4.315) 11.350 1.465 ( 0.881 -3.454 -4.340) 5.616 1.678 ( -2.355 0.447 -6.423) 6.855 1.793 ( -2.537 4.592 -4.407) 6.852 1.908 ( -0.776 -1.850 1.404) 2.448 1.984 ( 1.334 -9.115 5.057) 10.508 2.081 ( 2.430 0.957 3.813) 4.622 2.257 ( 4.563 -0.111 -3.842) 5.966 2.389 ( 2.672 1.444 3.587) 4.700 2.533 ( -4.333 1.581 0.868) 4.693 2.627 ( -2.503 2.705 0.457) 3.713 2.732 ( -3.574 3.109 7.836) 9.157 2.822 ( 3.636 2.922 -1.078) 4.788 3.121 ( -4.036 0.874 -4.550) 6.144 3.802 ( -0.581 2.569 26.763) 26.893 3.997 ( 0.131 -1.849 27.015) 27.078 4.587 ( -1.407 6.202 10.099) 11.935 4.650 ( 1.282 2.669 -5.493) 6.240 5.100 ( -0.558 -0.873 -0.983) 1.428 5.243 ( 0.547 1.672 2.438) 3.007 7.163 ( -0.086 -6.717 -12.991) 14.625 7.535 ( 0.343 -0.140 -24.105) 24.108 7.747 ( 0.272 3.167 18.506) 18.777 9.406 ( -4.772 -3.842 -6.508) 8.937 11.579 ( 0.737 -0.276 20.038) 20.053 11.721 ( 0.269 0.048 37.292) 37.293 13.861 ( 1.036 -7.546 15.203) 17.004 14.294 ( 2.039 17.730 12.655) 21.878 15.193 ( 0.480 -0.184 -15.003) 15.012 15.768 ( -0.249 -0.014 3.507) 3.516 16.174 ( 0.210 -0.538 -2.757) 2.817 16.741 ( -2.572 0.278 -11.241) 11.535 18.959 ( -0.922 -1.537 -2.624) 3.177 19.080 ( -2.721 -3.522 -3.892) 5.912 ======================= Grid point 142 (47/105) ======================= q-point: (-0.50 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( 0.000 -0.000 -11.051) 11.051 0.971 ( -0.000 0.000 -7.388) 7.388 1.401 ( 0.000 0.000 1.619) 1.619 1.535 ( 0.000 -0.000 1.770) 1.770 1.658 ( -0.000 -0.000 -6.552) 6.552 1.703 ( 0.000 0.000 -4.158) 4.158 1.928 ( 0.000 0.000 0.342) 0.342 2.027 ( 0.000 -0.000 -0.820) 0.820 2.220 ( -0.000 0.000 5.645) 5.645 2.282 ( 0.000 -0.000 1.457) 1.457 2.362 ( 0.000 0.000 -5.725) 5.725 2.488 ( 0.000 -0.000 0.772) 0.772 2.581 ( 0.000 -0.000 -1.762) 1.762 2.608 ( -0.000 0.000 2.013) 2.013 2.865 ( 0.000 -0.000 10.709) 10.709 3.088 ( 0.000 0.000 -5.037) 5.037 3.775 ( 0.000 -0.000 25.285) 25.285 4.018 ( 0.000 -0.000 24.275) 24.275 4.517 ( 0.000 -0.000 13.708) 13.708 4.637 ( 0.000 -0.000 -6.741) 6.741 5.104 ( 0.000 -0.000 -1.310) 1.310 5.236 ( 0.000 -0.000 4.560) 4.560 7.218 ( 0.000 -0.000 -11.740) 11.740 7.539 ( 0.000 -0.000 -25.355) 25.355 7.726 ( 0.000 -0.000 17.735) 17.735 9.407 ( 0.000 -0.000 -5.795) 5.795 11.586 ( 0.000 -0.000 20.355) 20.355 11.722 ( 0.000 -0.000 37.277) 37.277 13.954 ( 0.000 -0.000 42.895) 42.895 14.141 ( 0.000 0.000 -16.244) 16.244 15.197 ( 0.000 -0.000 -14.979) 14.979 15.767 ( 0.000 -0.000 3.501) 3.501 16.180 ( 0.000 -0.000 -2.768) 2.768 16.723 ( 0.000 -0.000 -11.470) 11.470 18.966 ( 0.000 -0.000 -2.109) 2.109 19.092 ( 0.000 -0.000 -3.316) 3.316 ======================= Grid point 148 (48/105) ======================= q-point: ( 0.12 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( 27.944 -0.000 -1.416) 27.979 0.867 ( 4.143 -0.000 17.543) 18.025 1.202 ( -6.537 0.000 11.465) 13.198 1.255 ( -2.333 0.000 -7.365) 7.725 1.495 ( 6.088 -0.000 1.543) 6.280 1.724 ( 0.286 -0.000 -5.978) 5.985 2.128 ( -3.243 0.000 8.606) 9.197 2.152 ( -1.570 0.000 1.335) 2.061 2.269 ( -2.713 0.000 5.920) 6.512 2.329 ( 1.738 -0.000 1.101) 2.057 2.400 ( -0.034 0.000 -5.005) 5.005 2.437 ( -5.551 0.000 1.639) 5.788 2.676 ( -9.084 0.000 0.163) 9.085 2.700 ( 1.498 -0.000 4.583) 4.822 3.098 ( 7.929 -0.000 -3.262) 8.574 3.109 ( -3.075 0.000 0.941) 3.216 3.869 ( -0.994 0.000 35.863) 35.877 3.968 ( 3.363 -0.000 30.842) 31.024 4.720 ( 2.810 -0.000 -4.768) 5.534 4.830 ( -0.223 0.000 4.119) 4.125 5.033 ( -2.732 0.000 -0.748) 2.832 5.544 ( 5.535 -0.000 -11.673) 12.919 6.690 ( -4.094 0.000 -13.391) 14.003 7.548 ( -0.242 0.000 -25.147) 25.148 8.142 ( -13.991 0.000 17.057) 22.061 9.048 ( 2.462 -0.000 -0.222) 2.472 11.556 ( 1.483 -0.000 18.905) 18.963 11.718 ( 0.817 -0.000 37.243) 37.252 13.618 ( 4.743 -0.000 -2.219) 5.237 15.176 ( 0.596 -0.000 -15.212) 15.224 15.658 ( -22.160 0.000 10.005) 24.314 15.761 ( -0.300 0.000 3.068) 3.082 16.149 ( 1.692 -0.000 -3.448) 3.841 16.580 ( -1.776 0.000 -3.087) 3.562 18.559 ( 0.565 -0.000 3.315) 3.363 18.999 ( 1.081 -0.000 -3.563) 3.723 ======================= Grid point 149 (49/105) ======================= q-point: ( 0.25 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( 7.661 4.495 8.705) 12.437 1.048 ( 13.483 -0.477 -0.206) 13.493 1.205 ( 1.819 0.168 -1.839) 2.591 1.236 ( -3.808 -9.362 4.921) 11.242 1.600 ( 4.705 -2.557 2.981) 6.129 1.758 ( 2.109 -3.749 -4.587) 6.288 1.986 ( -2.056 9.099 6.054) 11.121 2.065 ( -3.469 7.416 -0.810) 8.227 2.250 ( -2.641 -1.806 4.719) 5.702 2.275 ( -0.300 5.954 3.454) 6.890 2.387 ( 3.533 0.667 0.300) 3.608 2.488 ( -2.371 -7.441 1.114) 7.889 2.586 ( -5.440 0.041 1.114) 5.553 2.715 ( 0.216 0.266 2.636) 2.658 3.095 ( -5.803 -1.684 -1.040) 6.131 3.116 ( 4.067 5.087 -3.698) 7.489 3.861 ( -1.044 -0.042 34.726) 34.742 3.987 ( 1.903 1.467 29.439) 29.537 4.741 ( 3.289 2.409 -4.910) 6.382 4.791 ( -1.192 3.558 4.555) 5.902 5.034 ( -1.555 -2.820 -1.119) 3.409 5.480 ( 2.967 11.948 -9.910) 15.804 6.771 ( -3.486 -13.799 -13.778) 19.809 7.541 ( -0.185 0.352 -24.896) 24.899 7.926 ( -8.825 6.503 21.798) 24.400 9.161 ( -0.135 -8.492 -2.603) 8.883 11.575 ( 1.677 -0.014 19.749) 19.820 11.725 ( 0.519 0.103 37.103) 37.107 13.693 ( 4.398 -2.551 6.935) 8.599 15.114 ( -11.237 23.888 8.781) 27.821 15.199 ( -1.294 3.527 -10.760) 11.397 15.763 ( -0.605 -0.340 3.205) 3.279 16.165 ( 2.060 0.583 -3.458) 4.067 16.646 ( -4.714 -7.102 -7.714) 11.496 18.676 ( -2.514 -11.629 0.492) 11.908 19.018 ( 1.649 -0.609 -3.448) 3.871 ======================= Grid point 150 (50/105) ======================= q-point: ( 0.38 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( 3.774 2.174 2.009) 4.796 1.038 ( 0.180 3.773 -5.286) 6.497 1.334 ( 3.660 -6.157 7.763) 10.563 1.375 ( 2.431 -6.398 -3.895) 7.876 1.648 ( 0.364 -0.687 -4.063) 4.137 1.852 ( -5.282 5.022 -3.043) 7.898 1.862 ( 0.689 1.618 0.392) 1.802 1.938 ( 5.755 -2.314 2.310) 6.619 2.164 ( -1.816 5.117 4.242) 6.891 2.287 ( 2.996 -2.387 0.068) 3.831 2.429 ( 3.965 -0.410 0.577) 4.028 2.530 ( -0.653 1.034 2.072) 2.406 2.602 ( -1.130 -4.151 5.224) 6.767 2.693 ( -1.713 0.335 5.261) 5.543 2.953 ( -4.660 8.749 -5.713) 11.441 3.102 ( -0.269 0.750 -3.903) 3.984 3.830 ( -1.553 2.236 30.553) 30.674 3.984 ( 0.746 0.035 30.172) 30.181 4.670 ( -1.401 6.402 4.030) 7.693 4.737 ( 2.068 4.476 -3.045) 5.795 5.068 ( -0.555 -2.392 -1.517) 2.887 5.322 ( 0.787 7.936 -3.176) 8.585 6.981 ( -2.282 -14.088 -14.230) 20.154 7.537 ( 0.035 0.044 -24.626) 24.626 7.775 ( -4.534 3.195 21.473) 22.178 9.280 ( -0.499 -6.816 -4.037) 7.937 11.590 ( 1.257 0.243 20.492) 20.532 11.726 ( 0.224 0.190 37.113) 37.114 13.786 ( 2.471 -3.967 18.647) 19.224 14.619 ( -4.731 21.699 5.624) 22.910 15.198 ( 0.578 0.023 -14.963) 14.974 15.762 ( -0.398 -0.276 3.293) 3.329 16.178 ( 1.460 0.303 -3.166) 3.500 16.677 ( -3.993 -3.497 -10.087) 11.399 18.810 ( -4.638 -9.290 -0.698) 10.407 19.057 ( 2.409 -1.343 -3.364) 4.350 ======================= Grid point 151 (51/105) ======================= q-point: ( 0.50 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( -1.125 3.976 -5.197) 6.639 1.004 ( 1.817 1.585 -6.924) 7.332 1.380 ( -3.397 -0.554 0.740) 3.521 1.521 ( 2.625 -4.179 4.163) 6.456 1.580 ( -6.756 2.132 -2.103) 7.390 1.741 ( -0.117 0.225 -8.735) 8.739 1.892 ( -0.568 -3.606 -2.898) 4.661 2.057 ( 2.443 2.419 2.164) 4.062 2.143 ( 4.695 -6.198 3.788) 8.649 2.373 ( 4.339 0.735 -3.322) 5.514 2.458 ( 1.142 8.377 3.016) 8.976 2.490 ( 1.909 -1.170 -0.966) 2.439 2.574 ( -1.879 2.210 -1.090) 3.099 2.631 ( -3.003 3.548 4.969) 6.805 2.844 ( -1.120 -0.430 5.721) 5.845 3.096 ( 0.826 -0.550 -5.370) 5.460 3.775 ( -1.565 1.429 26.894) 26.977 4.005 ( 0.525 -1.421 27.288) 27.330 4.551 ( -1.647 5.036 10.212) 11.505 4.680 ( 1.300 4.259 -6.412) 7.807 5.094 ( -0.070 -1.267 -1.533) 1.990 5.252 ( 0.256 2.161 2.907) 3.631 7.143 ( -1.792 -8.222 -13.678) 16.060 7.539 ( -0.010 -0.091 -25.385) 25.385 7.704 ( -3.490 0.390 20.790) 21.084 9.381 ( 2.264 -4.618 -5.244) 7.345 11.594 ( 0.501 0.588 20.715) 20.729 11.725 ( 0.038 0.218 37.179) 37.179 13.876 ( 0.401 -5.289 32.596) 33.025 14.292 ( -2.083 14.760 -7.385) 16.635 15.201 ( 0.188 0.242 -15.020) 15.023 15.763 ( -0.141 -0.290 3.417) 3.432 16.186 ( 0.764 0.349 -3.007) 3.122 16.691 ( -1.635 -2.595 -11.007) 11.426 18.880 ( -3.958 -5.726 -0.499) 6.979 19.113 ( 3.436 -1.329 -3.929) 5.386 ======================= Grid point 152 (52/105) ======================= q-point: (-0.38 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( -4.652 2.806 -10.953) 12.226 1.007 ( 2.333 2.138 -5.883) 6.681 1.312 ( -6.205 5.015 3.269) 8.621 1.407 ( -7.499 -2.436 -1.368) 8.003 1.673 ( 2.673 -3.438 -2.197) 4.878 1.767 ( 1.878 -1.599 -9.416) 9.733 1.932 ( 0.817 0.166 0.904) 1.230 2.060 ( 1.261 -2.407 -0.815) 2.837 2.185 ( -5.276 14.179 2.688) 15.365 2.254 ( 0.068 5.745 -1.325) 5.897 2.343 ( 2.025 -1.291 1.957) 3.098 2.553 ( -0.473 -0.998 -1.301) 1.706 2.592 ( 3.711 -3.493 1.209) 5.238 2.660 ( 2.560 -5.109 0.099) 5.716 2.817 ( -2.435 2.046 10.427) 10.901 3.146 ( 3.675 -2.031 -4.939) 6.483 3.763 ( -0.917 -1.644 25.480) 25.550 4.022 ( 0.308 0.514 24.457) 24.464 4.512 ( -0.377 -2.512 13.513) 13.749 4.638 ( 0.099 1.759 -7.325) 7.534 5.110 ( 0.413 -0.439 -0.701) 0.924 5.233 ( -0.194 0.582 4.637) 4.677 7.203 ( -1.181 -1.192 -13.938) 14.039 7.535 ( -0.413 0.338 -23.729) 23.735 7.681 ( -2.852 -2.047 19.779) 20.089 9.479 ( 4.987 -2.081 -7.446) 9.200 11.583 ( -0.158 0.849 20.288) 20.306 11.720 ( -0.138 0.226 37.303) 37.303 13.961 ( 0.789 -1.186 38.870) 38.896 14.088 ( -3.975 2.864 -11.401) 12.409 15.194 ( -0.195 0.476 -15.065) 15.074 15.768 ( 0.069 -0.266 3.550) 3.561 16.184 ( 0.282 0.587 -2.871) 2.944 16.730 ( 0.521 -2.900 -11.273) 11.652 18.917 ( -2.376 -3.466 -0.617) 4.247 19.168 ( 4.342 0.242 -5.553) 7.053 ======================= Grid point 153 (53/105) ======================= q-point: (-0.25 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.643 ( -6.443 3.827 -6.983) 10.243 0.988 ( 0.863 0.514 -6.618) 6.694 1.110 ( -6.251 8.845 0.088) 10.831 1.465 ( 0.475 -6.224 -0.169) 6.244 1.725 ( 1.648 -0.941 -4.232) 4.638 1.798 ( -1.424 -1.319 -7.436) 7.685 1.894 ( -1.764 8.927 6.474) 11.168 1.955 ( -0.459 2.455 2.405) 3.467 2.086 ( 1.277 4.081 -2.042) 4.739 2.203 ( -0.405 -5.081 -1.012) 5.197 2.354 ( -0.399 2.722 4.528) 5.298 2.614 ( 0.930 -5.324 0.903) 5.480 2.673 ( 1.083 -1.963 1.408) 2.648 2.732 ( -1.065 0.263 2.097) 2.366 2.771 ( -0.330 -2.275 7.346) 7.697 3.230 ( 3.703 -2.510 -6.472) 7.868 3.801 ( -0.333 -3.586 26.940) 27.179 3.998 ( 0.104 2.175 26.792) 26.880 4.609 ( 0.559 -7.570 10.180) 12.699 4.628 ( -0.603 -1.190 -6.010) 6.157 5.116 ( 0.572 0.451 -0.013) 0.728 5.231 ( -0.379 -1.115 2.453) 2.721 7.156 ( -0.427 5.736 -15.218) 16.269 7.524 ( -0.458 -0.036 -20.348) 20.353 7.716 ( -1.346 -5.579 19.058) 19.903 9.537 ( 4.648 2.542 -10.542) 11.798 11.565 ( -0.372 0.903 19.453) 19.478 11.714 ( -0.256 0.247 37.474) 37.476 13.834 ( -1.028 10.105 -8.612) 13.317 14.235 ( -2.093 -19.782 40.332) 44.971 15.183 ( -0.276 0.510 -15.139) 15.150 15.773 ( 0.132 -0.197 3.657) 3.665 16.174 ( 0.115 0.812 -2.731) 2.851 16.789 ( 1.321 -2.701 -11.180) 11.577 18.941 ( -0.874 -1.689 -1.499) 2.422 19.183 ( 3.645 4.219 -8.327) 10.021 ======================= Grid point 154 (54/105) ======================= q-point: (-0.12 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.471 ( 0.000 10.021 0.186) 10.023 0.911 ( 0.000 8.830 6.782) 11.134 1.064 ( -0.000 -7.158 -11.408) 13.468 1.526 ( 0.000 1.648 -1.692) 2.362 1.673 ( 0.000 14.141 11.467) 18.206 1.740 ( 0.000 0.162 -4.910) 4.913 1.870 ( -0.000 -10.546 0.483) 10.557 2.006 ( -0.000 -6.229 1.664) 6.448 2.075 ( -0.000 -2.786 0.574) 2.845 2.289 ( -0.000 -3.154 -2.334) 3.924 2.310 ( 0.000 0.355 4.891) 4.904 2.635 ( 0.000 3.468 1.811) 3.912 2.692 ( -0.000 -1.754 3.721) 4.114 2.783 ( -0.000 -1.921 6.651) 6.923 2.802 ( -0.000 -5.096 -0.993) 5.192 3.278 ( 0.000 0.176 -5.835) 5.838 3.856 ( -0.000 -2.917 30.054) 30.195 3.963 ( 0.000 2.192 29.714) 29.794 4.646 ( -0.000 -1.980 -5.907) 6.230 4.740 ( -0.000 -6.594 7.640) 10.092 5.106 ( 0.000 1.177 -0.049) 1.178 5.276 ( -0.000 -5.154 -2.436) 5.701 7.016 ( 0.000 10.824 -15.159) 18.626 7.531 ( -0.000 -0.885 -22.363) 22.381 7.851 ( -0.000 -12.420 21.142) 24.520 9.465 ( 0.000 10.469 -12.067) 15.975 11.549 ( 0.000 0.689 18.691) 18.704 11.708 ( 0.000 0.220 37.628) 37.629 13.679 ( 0.000 7.560 -12.127) 14.290 14.667 ( -0.000 -35.599 45.070) 57.434 15.174 ( 0.000 0.357 -15.227) 15.231 15.776 ( -0.000 -0.125 3.716) 3.718 16.161 ( 0.000 0.804 -2.571) 2.694 16.827 ( -0.000 -0.141 -10.987) 10.988 18.944 ( 0.000 1.898 -3.919) 4.354 19.086 ( 0.000 10.311 -9.251) 13.853 ======================= Grid point 157 (55/105) ======================= q-point: ( 0.25 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 7.865 -0.000 11.070) 13.580 1.067 ( -5.254 0.000 11.994) 13.095 1.155 ( -6.366 0.000 0.980) 6.441 1.228 ( 12.595 -0.000 -6.475) 14.162 1.712 ( 14.103 -0.000 2.675) 14.355 1.726 ( -0.160 0.000 -5.783) 5.785 2.074 ( -2.248 0.000 10.822) 11.053 2.117 ( -1.566 0.000 0.155) 1.574 2.155 ( -5.810 0.000 7.364) 9.380 2.292 ( -7.659 0.000 0.664) 7.688 2.312 ( -2.051 0.000 -6.405) 6.726 2.471 ( 4.836 -0.000 0.387) 4.851 2.558 ( -0.031 0.000 1.540) 1.540 2.721 ( 0.325 -0.000 1.827) 1.855 3.033 ( -3.192 0.000 1.498) 3.526 3.172 ( -1.170 0.000 -2.557) 2.812 3.848 ( -0.786 0.000 36.431) 36.440 4.023 ( 1.019 -0.000 28.726) 28.744 4.794 ( 2.937 -0.000 -2.732) 4.011 4.829 ( 0.593 -0.000 0.941) 1.112 4.980 ( -1.796 0.000 -2.684) 3.229 5.649 ( 3.243 -0.000 -13.765) 14.142 6.573 ( -5.856 0.000 -11.970) 13.325 7.541 ( -0.324 0.000 -25.460) 25.462 7.861 ( -9.674 0.000 24.426) 26.272 9.119 ( 3.565 -0.000 -1.254) 3.779 11.596 ( 1.816 -0.000 20.603) 20.683 11.730 ( 0.233 -0.000 36.973) 36.974 13.726 ( 4.480 -0.000 15.535) 16.168 15.146 ( -20.972 0.000 1.763) 21.046 15.191 ( 0.662 -0.000 -15.042) 15.057 15.753 ( -0.370 0.000 2.994) 3.016 16.216 ( 3.444 -0.000 -5.696) 6.656 16.532 ( -2.320 0.000 -4.727) 5.266 18.576 ( 0.883 -0.000 3.494) 3.604 19.032 ( 1.737 -0.000 -3.811) 4.188 ======================= Grid point 158 (56/105) ======================= q-point: ( 0.38 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( 0.235 4.033 9.468) 10.293 1.050 ( -4.895 0.855 0.199) 4.973 1.227 ( 4.158 -9.523 9.672) 14.196 1.341 ( 3.668 -1.686 -4.643) 6.152 1.683 ( -0.599 3.220 -3.840) 5.047 1.834 ( -4.919 0.780 -1.427) 5.181 1.951 ( -2.194 7.424 3.795) 8.621 2.032 ( 9.560 2.541 1.203) 9.965 2.188 ( -2.787 3.157 1.153) 4.366 2.246 ( 2.898 -6.170 2.323) 7.202 2.396 ( -1.884 -8.144 -1.325) 8.463 2.521 ( 3.678 -0.694 4.085) 5.540 2.573 ( 2.343 -0.192 2.329) 3.309 2.708 ( -0.566 1.820 0.571) 1.989 2.982 ( -3.763 2.858 0.043) 4.725 3.118 ( -3.771 1.835 -3.600) 5.527 3.838 ( -0.841 0.683 34.641) 34.658 4.009 ( -0.100 1.634 30.463) 30.507 4.761 ( -1.071 5.984 2.793) 6.690 4.821 ( 3.291 2.225 -4.780) 6.215 5.010 ( -0.693 -3.828 -2.883) 4.842 5.523 ( 0.905 14.254 -9.804) 17.324 6.679 ( -4.384 -16.753 -13.260) 21.811 7.537 ( -0.201 0.062 -25.329) 25.330 7.756 ( -5.680 1.816 24.891) 25.595 9.198 ( 2.705 -4.574 -2.280) 5.782 11.611 ( 1.403 0.379 21.329) 21.378 11.731 ( 0.045 0.103 36.957) 36.957 13.781 ( 3.329 -1.101 24.879) 25.125 14.815 ( -12.786 13.159 -4.620) 18.921 15.202 ( 0.368 -0.273 -15.004) 15.011 15.752 ( -0.344 -0.303 3.048) 3.082 16.225 ( 2.689 2.343 -4.793) 5.974 16.560 ( -2.854 -5.090 -7.616) 9.595 18.642 ( -0.677 -6.396 2.668) 6.963 19.061 ( 1.904 -1.136 -3.870) 4.460 ======================= Grid point 159 (57/105) ======================= q-point: ( 0.50 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( -2.320 3.057 3.951) 5.508 1.019 ( -1.119 -0.549 -0.289) 1.280 1.358 ( -0.458 1.618 -1.932) 2.561 1.449 ( 5.903 -10.054 4.517) 12.503 1.562 ( -8.736 5.295 -1.044) 10.268 1.739 ( -2.099 1.276 -6.124) 6.599 1.853 ( -1.543 1.201 -2.340) 3.049 2.082 ( -3.135 0.689 0.555) 3.257 2.189 ( 10.744 0.824 3.061) 11.202 2.393 ( 5.554 -4.390 -2.778) 7.605 2.469 ( -0.935 -2.162 -3.411) 4.145 2.564 ( 2.131 1.509 9.898) 10.236 2.619 ( 1.580 -1.719 7.123) 7.496 2.647 ( 0.063 4.820 -1.808) 5.148 2.863 ( -2.333 4.981 -1.059) 5.601 3.065 ( -3.901 -1.418 -5.565) 6.943 3.794 ( -1.321 2.821 30.323) 30.483 3.996 ( 0.283 -0.258 31.389) 31.392 4.636 ( -1.238 7.166 5.106) 8.886 4.786 ( 1.900 5.725 -6.147) 8.612 5.059 ( -0.300 -2.784 -2.283) 3.613 5.333 ( 0.233 8.213 -2.291) 8.530 6.915 ( -3.086 -15.814 -14.702) 21.812 7.536 ( -0.062 -0.142 -25.398) 25.399 7.680 ( -3.219 1.461 24.495) 24.748 9.317 ( 2.523 -6.253 -3.905) 7.792 11.613 ( 0.700 0.867 21.546) 21.575 11.728 ( 0.001 0.191 36.984) 36.984 13.830 ( 1.470 -1.775 33.987) 34.065 14.492 ( -5.468 13.811 -11.693) 18.904 15.206 ( 0.183 0.117 -15.106) 15.107 15.755 ( -0.180 -0.434 3.216) 3.250 16.214 ( 1.375 1.730 -3.883) 4.468 16.611 ( -1.856 -4.525 -9.677) 10.843 18.738 ( -1.869 -6.827 1.845) 7.315 19.112 ( 2.128 -2.370 -4.210) 5.279 ======================= Grid point 160 (58/105) ======================= q-point: (-0.38 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( -2.189 6.047 -4.404) 7.794 1.036 ( 0.697 -1.956 -1.841) 2.775 1.300 ( -2.176 2.311 3.144) 4.468 1.372 ( -5.868 6.616 -1.874) 9.039 1.652 ( 5.181 -5.248 -1.657) 7.559 1.734 ( -1.619 -2.530 -7.441) 8.024 1.885 ( 0.152 -6.193 -4.661) 7.752 2.032 ( -2.257 1.239 1.901) 3.200 2.278 ( 4.025 2.396 1.016) 4.793 2.416 ( -0.735 6.342 1.757) 6.622 2.419 ( 0.309 5.914 -2.268) 6.341 2.510 ( -2.048 1.978 3.108) 4.215 2.622 ( 4.252 0.925 -5.424) 6.954 2.639 ( 1.425 -0.760 5.351) 5.590 2.816 ( -0.867 0.620 7.514) 7.589 3.106 ( -0.125 -5.863 -5.403) 7.973 3.745 ( -0.863 1.077 27.082) 27.117 4.016 ( 0.296 -1.327 27.621) 27.654 4.522 ( -0.715 4.500 10.093) 11.074 4.701 ( 0.512 5.425 -7.880) 9.581 5.094 ( 0.065 -1.752 -1.027) 2.032 5.256 ( 0.048 2.494 3.286) 4.126 7.098 ( -1.558 -9.584 -15.506) 18.295 7.536 ( -0.126 0.158 -24.902) 24.903 7.638 ( -1.707 0.145 23.936) 23.998 9.449 ( 2.340 -6.255 -6.248) 9.145 11.600 ( 0.136 1.176 21.095) 21.129 11.724 ( -0.027 0.308 37.115) 37.117 13.882 ( 0.112 -4.000 40.342) 40.540 14.236 ( -1.914 13.091 -15.767) 20.582 15.202 ( -0.011 0.515 -15.149) 15.157 15.762 ( -0.027 -0.465 3.427) 3.458 16.200 ( 0.406 1.094 -3.352) 3.550 16.670 ( -0.404 -4.309 -10.621) 11.469 18.820 ( -1.314 -5.569 1.161) 5.838 19.179 ( 1.808 -2.729 -5.268) 6.203 ======================= Grid point 161 (59/105) ======================= q-point: (-0.25 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.675 ( 0.000 5.007 -10.160) 11.327 1.041 ( 0.000 3.489 -3.607) 5.018 1.220 ( 0.000 8.092 -1.670) 8.263 1.316 ( -0.000 -7.517 3.436) 8.265 1.721 ( -0.000 -1.327 -2.337) 2.687 1.771 ( -0.000 -2.084 -11.948) 12.128 1.979 ( 0.000 2.665 2.732) 3.816 2.015 ( -0.000 -3.198 -4.765) 5.739 2.141 ( 0.000 6.903 4.850) 8.437 2.244 ( 0.000 11.783 -3.021) 12.164 2.421 ( 0.000 4.115 4.129) 5.829 2.492 ( -0.000 -6.797 -0.506) 6.816 2.666 ( -0.000 -1.439 4.229) 4.467 2.676 ( -0.000 -3.273 -2.976) 4.424 2.794 ( 0.000 1.574 10.324) 10.443 3.196 ( -0.000 -4.176 -5.828) 7.170 3.749 ( -0.000 -2.084 25.850) 25.934 4.026 ( 0.000 0.703 24.620) 24.630 4.507 ( -0.000 -3.471 13.351) 13.795 4.639 ( 0.000 2.402 -7.952) 8.307 5.116 ( -0.000 -0.745 -0.116) 0.754 5.231 ( 0.000 0.857 4.732) 4.809 7.184 ( -0.000 -1.952 -16.033) 16.151 7.527 ( 0.000 0.642 -19.820) 19.831 7.645 ( -0.000 -2.321 19.334) 19.473 9.549 ( -0.000 -3.620 -9.024) 9.723 11.581 ( 0.000 1.197 20.221) 20.256 11.718 ( 0.000 0.369 37.336) 37.338 13.988 ( -0.000 -9.766 43.175) 44.266 14.016 ( 0.000 12.512 -14.856) 19.423 15.192 ( 0.000 0.665 -15.150) 15.164 15.769 ( -0.000 -0.374 3.599) 3.618 16.188 ( 0.000 0.780 -2.967) 3.068 16.738 ( -0.000 -4.075 -11.079) 11.804 18.890 ( -0.000 -3.859 0.100) 3.861 19.224 ( -0.000 -0.954 -7.034) 7.098 ======================= Grid point 166 (60/105) ======================= q-point: ( 0.38 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( -2.984 0.000 12.501) 12.852 0.979 ( -7.033 0.000 5.045) 8.655 1.218 ( 9.030 -0.000 6.924) 11.379 1.377 ( 3.830 -0.000 -4.518) 5.923 1.707 ( -1.857 0.000 -2.276) 2.937 1.728 ( -12.197 0.000 -1.334) 12.269 2.072 ( -2.435 0.000 -1.665) 2.950 2.075 ( 1.544 -0.000 16.183) 16.256 2.168 ( -1.441 0.000 1.187) 1.867 2.274 ( -1.038 0.000 -8.908) 8.968 2.318 ( 17.423 -0.000 -1.345) 17.475 2.565 ( 3.032 -0.000 -0.177) 3.037 2.590 ( 1.687 -0.000 3.890) 4.240 2.721 ( -0.157 0.000 0.196) 0.251 2.982 ( -1.283 0.000 2.172) 2.522 3.058 ( -8.727 0.000 -2.875) 9.189 3.840 ( 0.174 -0.000 35.755) 35.755 4.012 ( -1.580 0.000 32.140) 32.179 4.815 ( 0.058 -0.000 2.253) 2.253 4.879 ( 2.389 -0.000 -5.300) 5.813 4.954 ( -0.662 0.000 -4.928) 4.972 5.689 ( 0.664 -0.000 -13.217) 13.234 6.454 ( -4.182 0.000 -10.773) 11.556 7.535 ( -0.219 0.000 -25.752) 25.752 7.716 ( -3.698 0.000 26.222) 26.481 9.192 ( 2.572 -0.000 -1.887) 3.190 11.629 ( 1.091 -0.000 22.038) 22.065 11.731 ( -0.067 0.000 36.906) 36.906 13.811 ( 3.039 -0.000 32.161) 32.304 14.769 ( -12.173 0.000 -12.815) 17.675 15.203 ( 0.333 -0.000 -14.994) 14.997 15.746 ( -0.224 0.000 2.947) 2.955 16.282 ( 2.166 -0.000 -6.525) 6.875 16.487 ( -1.498 0.000 -6.195) 6.373 18.594 ( 0.686 -0.000 3.671) 3.734 19.068 ( 1.301 -0.000 -4.015) 4.220 ======================= Grid point 167 (61/105) ======================= q-point: ( 0.50 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( -3.369 1.815 7.911) 8.788 0.979 ( -1.394 -2.309 8.741) 9.148 1.363 ( 5.328 -5.948 2.799) 8.462 1.414 ( 4.114 0.617 -3.360) 5.348 1.545 ( -8.747 4.459 -0.724) 9.845 1.710 ( -2.959 -1.659 -0.536) 3.434 1.902 ( -1.675 7.715 0.583) 7.916 2.098 ( -0.787 4.015 -2.916) 5.024 2.237 ( 2.524 -7.175 8.252) 11.223 2.330 ( -1.696 -5.921 -4.439) 7.592 2.505 ( 12.469 1.559 -1.934) 12.714 2.578 ( 1.242 0.142 5.410) 5.552 2.623 ( 1.336 -1.014 1.974) 2.590 2.712 ( 1.937 1.063 -1.329) 2.578 2.918 ( -4.203 3.759 -1.522) 5.841 2.973 ( -6.168 -0.893 -1.614) 6.438 3.828 ( -0.095 2.022 33.309) 33.370 3.993 ( -0.762 0.008 33.980) 33.988 4.744 ( -0.362 6.807 1.988) 7.101 4.878 ( 1.510 2.719 -5.655) 6.454 4.998 ( -0.337 -4.090 -3.820) 5.606 5.531 ( 0.051 14.712 -8.934) 17.212 6.600 ( -2.114 -17.636 -12.646) 21.804 7.533 ( -0.089 -0.081 -25.663) 25.663 7.676 ( -1.620 1.226 26.035) 26.114 9.250 ( 1.421 -4.217 -2.585) 5.146 11.633 ( 0.498 0.657 22.297) 22.312 11.730 ( -0.040 0.043 36.875) 36.875 13.838 ( 1.507 0.032 38.443) 38.473 14.602 ( -5.374 7.342 -18.249) 20.391 15.207 ( 0.115 -0.168 -15.087) 15.089 15.747 ( -0.111 -0.313 3.019) 3.037 16.268 ( 1.038 2.930 -5.442) 6.267 16.518 ( -0.892 -4.460 -7.920) 9.133 18.636 ( -0.041 -4.153 3.324) 5.320 19.094 ( 0.837 -1.688 -4.151) 4.558 ======================= Grid point 168 (62/105) ======================= q-point: (-0.38 -0.62 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( 0.000 1.935 3.882) 4.337 1.003 ( -0.000 -1.496 4.807) 5.035 1.370 ( 0.000 5.849 1.191) 5.969 1.422 ( 0.000 3.436 -3.497) 4.902 1.553 ( -0.000 -10.026 -2.958) 10.453 1.705 ( 0.000 0.027 0.465) 0.466 1.824 ( 0.000 0.236 -4.581) 4.587 2.041 ( 0.000 1.892 -1.172) 2.226 2.344 ( -0.000 -1.474 4.785) 5.007 2.385 ( -0.000 -2.953 -3.297) 4.426 2.496 ( 0.000 4.259 -1.673) 4.576 2.573 ( 0.000 2.413 9.673) 9.970 2.641 ( -0.000 -0.242 3.739) 3.747 2.710 ( 0.000 4.230 -4.865) 6.447 2.839 ( 0.000 2.955 1.824) 3.473 2.982 ( -0.000 -6.518 -5.503) 8.530 3.779 ( 0.000 3.262 30.018) 30.195 3.998 ( -0.000 -0.867 32.271) 32.283 4.622 ( 0.000 7.459 4.927) 8.940 4.809 ( 0.000 6.488 -7.249) 9.728 5.055 ( -0.000 -3.048 -2.206) 3.763 5.335 ( 0.000 8.160 -1.851) 8.367 6.874 ( -0.000 -16.206 -14.657) 21.851 7.535 ( -0.000 -0.166 -25.659) 25.660 7.644 ( 0.000 1.474 25.651) 25.693 9.351 ( -0.000 -6.748 -4.217) 7.958 11.621 ( 0.000 1.118 21.943) 21.972 11.728 ( 0.000 0.175 36.916) 36.917 13.848 ( -0.000 -0.764 40.718) 40.726 14.423 ( 0.000 11.108 -18.865) 21.893 15.208 ( 0.000 0.182 -15.183) 15.184 15.753 ( -0.000 -0.492 3.213) 3.251 16.230 ( 0.000 2.235 -4.222) 4.777 16.591 ( -0.000 -4.862 -9.499) 10.671 18.718 ( -0.000 -5.843 2.498) 6.355 19.138 ( -0.000 -2.999 -4.586) 5.479 ======================= Grid point 177 (63/105) ======================= q-point: (-0.50 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 97 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( 0.000 -0.000 7.741) 7.741 0.939 ( 0.000 -0.000 12.902) 12.902 1.347 ( 0.000 -0.000 2.009) 2.009 1.464 ( -0.000 0.000 -2.324) 2.324 1.516 ( 0.000 -0.000 -2.396) 2.396 1.666 ( 0.000 -0.000 3.064) 3.064 2.037 ( 0.000 -0.000 -4.398) 4.398 2.091 ( 0.000 -0.000 16.472) 16.472 2.146 ( 0.000 -0.000 -1.260) 1.260 2.264 ( 0.000 -0.000 -9.264) 9.264 2.599 ( 0.000 -0.000 -0.467) 0.467 2.608 ( 0.000 -0.000 4.955) 4.955 2.649 ( -0.000 0.000 -2.790) 2.790 2.719 ( 0.000 -0.000 -0.163) 0.163 2.854 ( -0.000 0.000 -3.382) 3.382 2.970 ( 0.000 -0.000 2.291) 2.291 3.847 ( 0.000 -0.000 34.210) 34.210 3.986 ( 0.000 -0.000 35.440) 35.440 4.815 ( 0.000 -0.000 2.034) 2.034 4.907 ( 0.000 -0.000 -5.629) 5.629 4.947 ( 0.000 -0.000 -5.784) 5.784 5.694 ( 0.000 -0.000 -12.644) 12.644 6.405 ( 0.000 -0.000 -10.325) 10.325 7.532 ( 0.000 -0.000 -25.868) 25.868 7.678 ( -0.000 0.000 26.495) 26.495 9.222 ( 0.000 -0.000 -2.050) 2.050 11.642 ( 0.000 -0.000 22.559) 22.559 11.730 ( 0.000 -0.000 36.880) 36.880 13.849 ( 0.000 -0.000 40.890) 40.890 14.627 ( 0.000 -0.000 -21.349) 21.349 15.206 ( 0.000 -0.000 -15.012) 15.012 15.744 ( 0.000 -0.000 2.937) 2.937 16.306 ( 0.000 -0.000 -6.628) 6.628 16.469 ( 0.000 -0.000 -6.750) 6.750 18.603 ( 0.000 -0.000 3.742) 3.742 19.084 ( 0.000 -0.000 -4.086) 4.086 ======================= Grid point 207 (64/105) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.368 ( 0.000 0.000 7.251) 7.251 1.021 ( 0.000 0.000 -14.931) 14.931 1.176 ( 0.000 0.000 16.762) 16.762 1.354 ( 0.000 0.000 0.886) 0.886 1.524 ( 0.000 0.000 5.697) 5.697 1.629 ( 0.000 0.000 -4.234) 4.234 2.229 ( 0.000 0.000 2.449) 2.449 2.231 ( 0.000 0.000 2.015) 2.015 2.244 ( 0.000 0.000 -2.688) 2.688 2.268 ( 0.000 0.000 -4.668) 4.668 2.366 ( 0.000 0.000 1.557) 1.557 2.563 ( 0.000 0.000 -3.032) 3.032 2.769 ( 0.000 0.000 3.555) 3.555 2.874 ( 0.000 0.000 -1.374) 1.374 2.933 ( 0.000 0.000 6.413) 6.413 3.149 ( 0.000 0.000 -0.802) 0.802 4.492 ( 0.000 0.000 24.984) 24.984 4.618 ( 0.000 0.000 -1.577) 1.577 4.675 ( 0.000 0.000 41.785) 41.785 4.926 ( 0.000 0.000 4.579) 4.579 5.078 ( 0.000 0.000 2.021) 2.021 5.334 ( 0.000 0.000 -1.666) 1.666 6.415 ( 0.000 0.000 -19.688) 19.688 7.004 ( 0.000 0.000 -32.156) 32.156 8.520 ( 0.000 0.000 10.004) 10.004 8.986 ( 0.000 0.000 -3.862) 3.862 11.926 ( 0.000 0.000 21.876) 21.876 12.453 ( 0.000 0.000 36.215) 36.215 13.335 ( 0.000 0.000 -8.560) 8.560 14.790 ( 0.000 0.000 -24.492) 24.492 15.833 ( 0.000 0.000 3.937) 3.937 16.011 ( 0.000 0.000 1.139) 1.139 16.184 ( 0.000 0.000 4.258) 4.258 16.539 ( 0.000 0.000 -4.229) 4.229 18.626 ( 0.000 0.000 4.409) 4.409 18.909 ( 0.000 0.000 -4.595) 4.595 ======================= Grid point 208 (65/105) ======================= q-point: ( 0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.504 ( 15.684 -2.158 2.299) 15.998 0.976 ( 2.010 5.127 -11.674) 12.908 1.125 ( 1.123 5.275 14.087) 15.084 1.396 ( -0.958 -4.741 0.432) 4.856 1.603 ( 0.750 -6.077 1.611) 6.331 1.644 ( 1.063 -1.636 -3.754) 4.231 2.092 ( -5.474 7.897 1.084) 9.670 2.157 ( -2.335 6.877 2.115) 7.564 2.242 ( 5.816 5.722 1.212) 8.249 2.303 ( 2.794 2.621 0.722) 3.899 2.347 ( -0.406 -0.341 -0.454) 0.698 2.541 ( -2.788 -1.912 -3.797) 5.084 2.769 ( -0.236 0.279 2.641) 2.666 2.804 ( -6.630 0.981 1.765) 6.930 2.965 ( 4.805 2.552 2.679) 6.064 3.155 ( -2.408 -0.964 -2.821) 3.832 4.426 ( 0.247 6.670 18.597) 19.759 4.626 ( 1.426 1.896 0.520) 2.429 4.673 ( 0.414 0.374 40.572) 40.576 4.918 ( -0.809 0.719 6.128) 6.222 5.080 ( -1.460 -1.215 1.537) 2.444 5.326 ( 1.090 0.804 2.902) 3.202 6.497 ( -0.920 -9.777 -20.021) 22.299 6.999 ( -0.168 0.334 -32.158) 32.160 8.401 ( -2.472 9.101 15.126) 17.825 9.082 ( -0.979 -8.955 -7.722) 11.865 11.941 ( 1.535 -0.674 22.331) 22.394 12.454 ( 0.046 -0.057 36.148) 36.148 13.398 ( 6.177 -3.084 -8.927) 11.286 14.795 ( 0.511 -0.239 -24.331) 24.337 15.751 ( -3.896 18.147 14.563) 23.592 15.877 ( -2.420 5.004 8.075) 9.804 16.098 ( -1.310 0.819 -2.520) 2.955 16.579 ( -2.936 -2.770 -9.076) 9.934 18.722 ( -0.505 -9.939 1.221) 10.027 18.924 ( 0.423 -1.469 -4.082) 4.359 ======================= Grid point 209 (66/105) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.658 ( 11.183 4.440 -3.211) 12.453 0.951 ( 6.211 4.847 -6.256) 10.060 1.107 ( 4.746 -2.658 5.784) 7.940 1.449 ( -2.007 -2.976 1.105) 3.755 1.626 ( -1.526 1.775 -3.607) 4.300 1.712 ( 2.831 0.191 -6.775) 7.345 1.960 ( -1.846 0.001 6.747) 6.996 2.009 ( -2.285 5.009 2.037) 5.871 2.192 ( 3.544 5.708 2.380) 7.127 2.248 ( 0.122 5.914 -0.372) 5.927 2.374 ( 2.960 -0.688 -0.295) 3.053 2.570 ( -3.069 -2.866 -3.773) 5.645 2.717 ( -4.717 1.134 1.519) 5.083 2.769 ( 1.615 -0.240 0.977) 1.903 2.928 ( 0.326 5.648 2.119) 6.041 3.107 ( -4.593 1.440 -4.134) 6.345 4.308 ( -0.016 7.575 14.648) 16.491 4.576 ( 1.686 5.410 -2.348) 6.133 4.675 ( 0.684 0.170 38.219) 38.225 4.875 ( -1.594 2.968 9.346) 9.935 5.081 ( -2.010 -1.242 -0.095) 2.365 5.357 ( 0.909 -3.103 12.017) 12.444 6.670 ( -0.240 -11.084 -20.852) 23.616 6.992 ( -0.172 0.320 -32.242) 32.244 8.247 ( -1.364 6.347 20.654) 21.650 9.189 ( -3.015 -6.480 -11.093) 13.196 11.976 ( 2.117 -0.918 23.411) 23.525 12.455 ( 0.037 -0.067 36.112) 36.112 13.554 ( 9.045 -4.890 -10.172) 14.464 14.807 ( 0.681 -0.319 -23.805) 23.817 15.298 ( -7.725 22.423 30.912) 38.962 15.850 ( -0.718 -0.082 4.660) 4.716 16.097 ( -0.074 -0.737 -3.865) 3.935 16.545 ( -4.095 1.124 -13.549) 14.199 18.862 ( -1.758 -7.522 -1.327) 7.838 18.964 ( 0.207 -2.934 -3.426) 4.515 ======================= Grid point 210 (67/105) ======================= q-point: ( 0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.653 ( 6.907 6.048 -4.919) 10.415 0.905 ( 0.193 4.360 -3.309) 5.477 1.309 ( 9.933 -7.999 -4.923) 13.671 1.446 ( -0.183 0.714 2.589) 2.692 1.541 ( -2.501 3.480 -6.760) 8.004 1.696 ( -0.900 3.377 -4.551) 5.739 1.930 ( -2.065 -1.633 0.935) 2.794 2.053 ( 0.433 -2.534 2.547) 3.619 2.158 ( 3.864 4.506 -4.086) 7.206 2.182 ( 2.978 -1.389 3.181) 4.574 2.401 ( 0.679 0.883 -0.116) 1.120 2.525 ( -4.469 1.927 -1.451) 5.078 2.647 ( -1.946 2.424 1.748) 3.566 2.760 ( -1.320 7.082 1.465) 7.351 2.884 ( 1.701 -3.923 0.074) 4.277 3.033 ( -4.036 1.299 -4.193) 5.963 4.196 ( -0.364 5.311 13.095) 14.136 4.517 ( 1.039 3.268 -4.642) 5.771 4.682 ( 0.569 -0.143 37.968) 37.973 4.801 ( -1.439 3.304 11.858) 12.393 5.079 ( -1.316 -0.854 -1.001) 1.861 5.421 ( 0.592 -2.967 17.179) 17.444 6.819 ( 0.210 -6.623 -21.625) 22.618 6.986 ( -0.091 0.150 -32.433) 32.434 8.167 ( -0.326 2.699 22.948) 23.108 9.230 ( -2.550 -2.906 -11.945) 12.555 12.010 ( 1.463 -0.627 24.468) 24.520 12.457 ( 0.010 -0.039 36.201) 36.201 13.729 ( 7.222 -4.382 -12.976) 15.483 14.813 ( -0.298 0.829 -18.117) 18.139 14.933 ( -4.986 11.939 32.501) 34.982 15.846 ( -0.397 -0.103 4.558) 4.576 16.109 ( 0.173 -0.550 -3.951) 3.993 16.480 ( -2.778 1.489 -16.332) 16.633 18.924 ( -0.852 -2.579 -0.908) 2.864 19.011 ( -0.686 -2.672 -3.319) 4.315 ======================= Grid point 211 (68/105) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.646 ( 0.000 -0.000 -4.996) 4.996 0.857 ( -0.000 0.000 -4.943) 4.943 1.428 ( 0.000 0.000 0.697) 0.697 1.467 ( -0.000 -0.000 -6.911) 6.911 1.547 ( 0.000 -0.000 -9.004) 9.004 1.591 ( 0.000 0.000 -1.690) 1.690 1.970 ( 0.000 0.000 3.268) 3.268 2.004 ( 0.000 -0.000 -0.616) 0.616 2.197 ( 0.000 0.000 -7.086) 7.086 2.258 ( 0.000 -0.000 -3.640) 3.640 2.369 ( 0.000 -0.000 5.853) 5.853 2.462 ( -0.000 -0.000 -1.163) 1.163 2.619 ( 0.000 -0.000 4.542) 4.542 2.666 ( 0.000 0.000 3.398) 3.398 2.962 ( -0.000 -0.000 -0.620) 0.620 2.978 ( 0.000 -0.000 -6.261) 6.261 4.148 ( 0.000 -0.000 12.739) 12.739 4.497 ( 0.000 -0.000 -5.293) 5.293 4.689 ( 0.000 -0.000 40.072) 40.072 4.760 ( 0.000 -0.000 11.013) 11.013 5.078 ( 0.000 -0.000 -1.273) 1.273 5.450 ( 0.000 -0.000 18.603) 18.603 6.875 ( 0.000 -0.000 -21.924) 21.924 6.985 ( 0.000 -0.000 -32.538) 32.538 8.144 ( 0.000 -0.000 23.464) 23.464 9.238 ( 0.000 -0.000 -11.977) 11.977 12.024 ( 0.000 0.000 24.900) 24.900 12.457 ( 0.000 -0.000 36.263) 36.263 13.815 ( 0.000 -0.000 -15.640) 15.640 14.757 ( 0.000 -0.000 28.356) 28.356 14.848 ( 0.000 -0.000 -10.421) 10.421 15.844 ( 0.000 -0.000 4.546) 4.546 16.115 ( 0.000 -0.000 -3.920) 3.920 16.450 ( 0.000 -0.000 -17.319) 17.319 18.939 ( 0.000 -0.000 -0.576) 0.576 19.029 ( 0.000 -0.000 -3.171) 3.171 ======================= Grid point 217 (69/105) ======================= q-point: ( 0.12 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( 20.537 -0.000 -1.719) 20.609 1.032 ( 1.077 -0.000 -9.300) 9.362 1.218 ( 3.246 -0.000 12.946) 13.347 1.338 ( -1.492 0.000 5.371) 5.574 1.554 ( 3.932 -0.000 3.372) 5.180 1.640 ( 0.600 -0.000 -3.307) 3.361 2.145 ( -3.183 0.000 -2.008) 3.764 2.155 ( -3.190 0.000 -1.635) 3.585 2.304 ( -3.121 0.000 -1.906) 3.657 2.377 ( 5.454 -0.000 0.959) 5.538 2.381 ( 4.812 -0.000 2.117) 5.257 2.453 ( -7.315 0.000 0.859) 7.365 2.711 ( -9.664 0.000 2.894) 10.088 2.763 ( -0.862 0.000 1.977) 2.156 3.054 ( 5.082 -0.000 -0.891) 5.159 3.114 ( -2.682 0.000 -0.457) 2.721 4.495 ( 0.006 -0.000 25.665) 25.665 4.654 ( 2.947 -0.000 -1.558) 3.333 4.685 ( 0.932 -0.000 41.067) 41.078 4.911 ( -1.195 0.000 4.004) 4.178 5.041 ( -2.926 0.000 2.625) 3.931 5.371 ( 2.805 -0.000 -3.921) 4.821 6.380 ( -2.994 0.000 -18.987) 19.221 6.999 ( -0.372 0.000 -32.171) 32.173 8.430 ( -6.806 0.000 13.749) 15.341 9.001 ( 1.374 -0.000 -4.744) 4.939 11.961 ( 2.903 -0.000 22.886) 23.069 12.454 ( 0.059 -0.000 35.792) 35.792 13.473 ( 11.006 -0.000 -8.280) 13.773 14.802 ( 0.934 -0.000 -24.118) 24.136 15.829 ( -0.303 0.000 3.984) 3.995 15.889 ( -16.747 0.000 12.761) 21.054 16.084 ( -1.214 0.000 -3.145) 3.371 16.497 ( -3.544 0.000 -5.800) 6.797 18.634 ( 0.688 -0.000 4.482) 4.534 18.920 ( 0.948 -0.000 -4.644) 4.740 ======================= Grid point 218 (70/105) ======================= q-point: ( 0.25 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( 11.929 5.031 -3.928) 13.530 1.076 ( 6.534 -1.833 -8.402) 10.800 1.166 ( 2.212 6.235 10.734) 12.609 1.377 ( 0.414 -4.147 6.425) 7.658 1.624 ( -0.043 0.040 -0.315) 0.320 1.706 ( 5.627 -5.684 -2.101) 8.270 1.999 ( -2.763 7.902 0.325) 8.378 2.089 ( -3.513 7.595 2.133) 8.636 2.227 ( -4.533 0.625 -2.500) 5.214 2.367 ( 0.527 2.167 -0.900) 2.405 2.392 ( -0.248 1.268 1.705) 2.139 2.508 ( 3.290 -3.216 0.422) 4.621 2.629 ( -6.469 -2.888 3.174) 7.763 2.753 ( -1.443 -0.784 0.987) 1.916 3.048 ( 0.325 5.670 -1.965) 6.010 3.079 ( -2.203 0.848 -1.351) 2.720 4.427 ( -0.369 6.751 20.472) 21.560 4.677 ( 2.580 2.930 6.611) 7.677 4.693 ( 1.504 0.435 32.613) 32.650 4.885 ( -1.976 1.217 6.079) 6.506 5.028 ( -2.770 -2.037 0.833) 3.538 5.363 ( 1.951 2.586 0.866) 3.353 6.455 ( -2.794 -12.029 -19.230) 22.854 6.993 ( -0.393 0.178 -32.200) 32.203 8.308 ( -5.060 4.593 18.355) 19.585 9.068 ( 0.371 -5.177 -7.199) 8.875 11.999 ( 3.253 -0.129 23.965) 24.185 12.455 ( 0.032 -0.044 35.704) 35.704 13.623 ( 12.403 -1.743 -8.408) 15.085 14.814 ( 1.001 -0.074 -23.649) 23.670 15.499 ( -17.778 17.028 22.339) 33.242 15.835 ( -0.936 -0.597 4.292) 4.433 16.090 ( 0.932 -0.326 -4.296) 4.408 16.478 ( -5.232 -2.117 -10.205) 11.662 18.709 ( -0.456 -7.249 2.786) 7.780 18.943 ( 1.317 -1.291 -4.306) 4.684 ======================= Grid point 219 (71/105) ======================= q-point: ( 0.38 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( 7.384 7.859 -2.159) 10.998 1.020 ( 0.172 7.969 1.556) 8.121 1.274 ( 5.250 -6.577 -4.797) 9.687 1.455 ( 3.872 -2.397 3.587) 5.797 1.576 ( -2.761 3.646 -2.506) 5.215 1.738 ( -2.611 4.715 -6.440) 8.398 1.907 ( -4.189 3.272 3.468) 6.346 2.018 ( 5.987 -4.037 5.584) 9.128 2.192 ( -0.039 0.733 -2.322) 2.435 2.281 ( -1.163 5.308 1.301) 5.587 2.404 ( -1.148 -2.511 -3.046) 4.111 2.524 ( 0.478 3.103 -2.772) 4.188 2.644 ( -0.294 -0.558 2.371) 2.453 2.810 ( 1.267 -6.811 2.360) 7.319 2.890 ( -3.419 10.143 -0.483) 10.715 3.030 ( -1.885 2.499 -3.392) 4.616 4.296 ( -1.122 7.722 16.004) 17.805 4.618 ( 1.870 6.533 -0.549) 6.817 4.696 ( 1.105 0.768 35.009) 35.034 4.825 ( -2.678 2.687 9.814) 10.521 5.038 ( -1.490 -2.190 -1.381) 2.987 5.380 ( 0.986 -2.378 11.349) 11.637 6.644 ( -2.149 -13.051 -20.460) 24.364 6.987 ( -0.261 0.103 -32.321) 32.323 8.201 ( -2.521 3.175 21.891) 22.263 9.151 ( 0.164 -4.563 -9.604) 10.634 12.030 ( 2.427 0.320 24.926) 25.046 12.456 ( 0.014 -0.053 35.914) 35.914 13.781 ( 10.053 -1.342 -10.531) 14.621 14.822 ( 0.385 0.370 -21.858) 21.865 15.058 ( -12.557 14.089 30.261) 35.664 15.835 ( -0.487 -0.496 4.356) 4.411 16.106 ( 0.849 -0.298 -4.273) 4.367 16.444 ( -4.240 -0.858 -14.545) 15.175 18.815 ( -1.929 -6.858 1.267) 7.236 18.987 ( 1.657 -1.886 -3.833) 4.582 ======================= Grid point 220 (72/105) ======================= q-point: ( 0.50 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( 1.980 11.305 -1.732) 11.607 0.915 ( 2.017 4.644 -2.920) 5.845 1.385 ( -1.140 -3.803 -0.833) 4.057 1.478 ( -3.365 3.568 -6.308) 7.991 1.550 ( 5.860 -2.328 -3.118) 7.035 1.599 ( -6.416 4.163 -3.939) 8.602 1.882 ( -2.246 -4.614 2.009) 5.511 2.083 ( 2.135 5.203 1.705) 5.877 2.194 ( -0.442 -1.915 -1.442) 2.437 2.280 ( 4.706 -1.219 -2.709) 5.565 2.411 ( 0.695 5.836 -4.883) 7.641 2.454 ( -1.546 -1.731 -1.967) 3.042 2.650 ( 1.013 3.427 6.566) 7.475 2.690 ( -1.687 4.427 2.754) 5.480 2.936 ( -0.189 -1.928 1.119) 2.237 2.983 ( 0.993 -1.452 -6.242) 6.485 4.177 ( -1.155 4.498 13.879) 14.635 4.538 ( 0.717 4.571 -5.033) 6.836 4.696 ( 0.589 0.489 38.393) 38.401 4.759 ( -2.062 1.436 11.422) 11.695 5.063 ( -0.043 -1.835 -1.503) 2.372 5.432 ( 0.314 -2.321 16.763) 16.926 6.796 ( -2.122 -8.041 -21.392) 22.952 6.984 ( -0.119 -0.021 -32.484) 32.484 8.146 ( -1.339 1.133 23.742) 23.807 9.222 ( 1.677 -3.001 -11.457) 11.961 12.039 ( 0.950 1.044 25.227) 25.266 12.457 ( 0.019 -0.026 36.190) 36.190 13.856 ( 3.441 2.612 -14.863) 15.478 14.765 ( -3.921 3.452 25.925) 26.446 14.852 ( -1.431 1.314 -9.810) 10.001 15.840 ( -0.114 -0.450 4.511) 4.535 16.116 ( 0.335 -0.043 -4.229) 4.242 16.428 ( -1.531 -1.497 -16.782) 16.918 18.883 ( -1.966 -4.326 0.896) 4.836 19.036 ( 2.090 -1.332 -3.966) 4.677 ======================= Grid point 221 (73/105) ======================= q-point: (-0.38 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.585 ( -4.102 6.909 -4.370) 9.146 0.903 ( 3.002 1.890 -5.575) 6.608 1.320 ( -9.024 6.487 -3.136) 11.548 1.415 ( -1.238 -2.364 3.646) 4.518 1.531 ( 0.827 -0.402 -10.206) 10.247 1.647 ( 1.261 -3.318 -4.041) 5.378 1.964 ( -0.886 -4.529 2.114) 5.077 2.021 ( 0.827 1.026 -1.992) 2.388 2.144 ( -2.458 5.860 -4.518) 7.797 2.220 ( -2.674 7.150 -3.591) 8.437 2.407 ( 3.252 -1.785 4.645) 5.945 2.517 ( 2.318 -1.536 -0.937) 2.934 2.602 ( 0.104 -3.891 1.106) 4.046 2.721 ( 2.165 -1.142 3.971) 4.665 2.901 ( -1.377 1.058 -1.320) 2.181 3.061 ( 3.549 -1.734 -4.015) 5.632 4.140 ( -0.572 -1.162 12.922) 12.986 4.493 ( -0.240 1.154 -6.283) 6.393 4.687 ( -0.148 0.874 39.582) 39.592 4.755 ( -0.377 -2.674 12.166) 12.462 5.091 ( 0.921 -0.912 -1.099) 1.699 5.447 ( -0.193 0.615 18.419) 18.430 6.850 ( -1.810 -1.275 -21.732) 21.845 6.984 ( -0.020 -0.133 -32.509) 32.509 8.132 ( -0.813 -0.974 24.555) 24.588 9.282 ( 3.081 -0.804 -13.241) 13.618 12.019 ( -0.349 1.659 24.698) 24.757 12.457 ( 0.012 0.023 36.368) 36.368 13.766 ( -3.355 7.444 -14.740) 16.850 14.777 ( 1.465 -5.879 27.309) 27.973 14.839 ( -0.760 -1.096 -9.862) 9.952 15.847 ( 0.180 -0.351 4.673) 4.690 16.116 ( 0.031 0.292 -4.252) 4.262 16.462 ( 0.801 -2.956 -17.031) 17.304 18.916 ( -1.213 -1.993 0.550) 2.397 19.068 ( 2.353 0.761 -4.753) 5.358 ======================= Grid point 222 (74/105) ======================= q-point: (-0.25 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.502 ( -5.171 -2.345 -5.410) 7.842 0.873 ( -2.177 2.431 -6.669) 7.425 1.128 ( -3.890 5.698 2.385) 7.300 1.471 ( 1.057 -3.412 1.060) 3.726 1.588 ( 1.363 -4.332 -9.230) 10.286 1.678 ( -1.194 -0.603 -4.169) 4.378 1.967 ( 1.230 0.504 0.846) 1.575 2.016 ( -2.696 2.112 2.464) 4.219 2.059 ( -2.502 -0.768 0.056) 2.618 2.184 ( 1.060 -4.668 -0.639) 4.829 2.388 ( -0.190 4.251 1.463) 4.500 2.618 ( 2.982 -4.984 -0.424) 5.824 2.693 ( 0.633 -2.912 0.101) 2.982 2.717 ( -2.073 -0.891 -1.211) 2.561 2.902 ( 1.298 -0.610 3.540) 3.819 3.123 ( 2.860 -1.729 -4.603) 5.688 4.195 ( -0.246 -5.771 12.760) 14.007 4.497 ( -0.566 -2.293 -5.826) 6.287 4.673 ( -0.206 0.493 38.763) 38.767 4.821 ( 0.411 -4.754 12.035) 12.946 5.110 ( 1.028 0.094 -0.354) 1.091 5.409 ( -0.332 3.435 17.250) 17.592 6.801 ( -0.835 5.297 -21.536) 22.194 6.988 ( 0.029 -0.273 -32.359) 32.360 8.164 ( -0.250 -3.998 23.957) 24.290 9.302 ( 2.540 2.779 -14.315) 14.802 11.983 ( -0.756 1.845 23.634) 23.718 12.456 ( -0.010 0.072 36.442) 36.442 13.587 ( -4.064 8.221 -11.944) 15.059 14.810 ( -0.192 0.598 -23.686) 23.694 15.018 ( 2.095 -17.397 37.843) 41.703 15.854 ( 0.256 -0.221 4.815) 4.827 16.109 ( 0.063 0.554 -4.111) 4.149 16.533 ( 1.471 -3.775 -15.799) 16.310 18.921 ( -0.377 0.338 -0.445) 0.674 19.051 ( 1.605 4.417 -5.500) 7.235 ======================= Grid point 223 (75/105) ======================= q-point: (-0.12 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.469 ( 0.000 2.910 0.075) 2.911 0.864 ( -0.000 -4.792 -9.648) 10.772 1.069 ( -0.000 -0.429 9.795) 9.804 1.481 ( 0.000 3.582 -1.694) 3.963 1.657 ( 0.000 1.287 -3.820) 4.031 1.658 ( -0.000 -0.943 -7.712) 7.770 2.022 ( -0.000 -4.690 11.742) 12.644 2.037 ( -0.000 -7.374 1.511) 7.527 2.088 ( -0.000 -5.738 0.315) 5.747 2.259 ( -0.000 -1.825 -0.463) 1.883 2.342 ( -0.000 -0.401 -0.777) 0.875 2.607 ( 0.000 4.772 -4.291) 6.418 2.742 ( -0.000 -3.790 1.684) 4.148 2.787 ( -0.000 -4.654 -0.596) 4.692 2.918 ( -0.000 -0.503 5.795) 5.817 3.169 ( -0.000 -1.287 -5.050) 5.212 4.306 ( -0.000 -7.532 14.061) 15.951 4.555 ( -0.000 -4.834 -3.292) 5.849 4.667 ( 0.000 0.011 39.546) 39.546 4.893 ( -0.000 -3.190 9.172) 9.711 5.107 ( 0.000 1.013 0.575) 1.164 5.345 ( 0.000 3.440 12.327) 12.798 6.669 ( 0.000 9.936 -20.948) 23.184 6.994 ( -0.000 -0.419 -32.197) 32.199 8.261 ( -0.000 -8.059 20.721) 22.233 9.235 ( 0.000 7.434 -12.810) 14.811 11.950 ( 0.000 1.456 22.646) 22.693 12.455 ( 0.000 0.090 36.407) 36.407 13.440 ( 0.000 6.309 -10.078) 11.890 14.799 ( 0.000 0.513 -24.259) 24.265 15.384 ( -0.000 -25.052 30.975) 39.837 15.860 ( -0.000 -0.341 5.049) 5.060 16.101 ( 0.000 0.400 -3.709) 3.730 16.596 ( -0.000 -2.256 -13.261) 13.452 18.880 ( 0.000 6.062 -2.101) 6.416 18.968 ( 0.000 5.145 -4.217) 6.652 ======================= Grid point 226 (76/105) ======================= q-point: ( 0.25 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( 9.683 -0.000 -5.918) 11.348 1.064 ( 1.419 -0.000 -3.093) 3.403 1.297 ( 3.412 -0.000 11.559) 12.052 1.300 ( -1.234 0.000 8.621) 8.709 1.638 ( -0.684 0.000 -3.044) 3.120 1.733 ( 9.596 -0.000 -0.464) 9.607 2.079 ( -2.285 0.000 -1.628) 2.806 2.109 ( -0.879 0.000 -1.962) 2.150 2.210 ( -4.676 0.000 -2.974) 5.541 2.239 ( -7.180 0.000 -0.768) 7.221 2.441 ( -6.557 0.000 9.394) 11.456 2.491 ( 4.102 -0.000 1.495) 4.366 2.579 ( 3.268 -0.000 0.591) 3.321 2.727 ( -1.871 0.000 -1.299) 2.278 3.054 ( -2.347 0.000 0.709) 2.452 3.106 ( -0.880 0.000 -3.109) 3.231 4.484 ( -1.002 0.000 26.663) 26.682 4.713 ( 1.366 -0.000 40.115) 40.139 4.731 ( 3.480 -0.000 -1.910) 3.969 4.880 ( -1.331 0.000 2.776) 3.079 4.965 ( -3.510 0.000 2.066) 4.073 5.436 ( 2.610 -0.000 -6.375) 6.889 6.293 ( -4.439 0.000 -17.309) 17.869 6.989 ( -0.488 0.000 -32.195) 32.199 8.279 ( -5.681 0.000 19.600) 20.406 9.046 ( 2.475 -0.000 -6.494) 6.950 12.037 ( 3.461 -0.000 24.955) 25.194 12.455 ( -0.000 0.000 35.586) 35.586 13.757 ( 13.232 -0.000 -7.347) 15.135 14.825 ( 0.993 -0.000 -23.331) 23.352 15.394 ( -23.953 0.000 21.084) 31.910 15.822 ( -0.347 0.000 4.108) 4.122 16.108 ( 2.008 -0.000 -5.546) 5.899 16.400 ( -4.565 0.000 -9.327) 10.384 18.654 ( 1.056 -0.000 4.656) 4.775 18.949 ( 1.519 -0.000 -4.839) 5.072 ======================= Grid point 227 (77/105) ======================= q-point: ( 0.38 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( 4.456 4.250 -0.221) 6.162 1.119 ( -1.681 4.656 4.295) 6.554 1.257 ( 4.807 -0.803 0.214) 4.878 1.415 ( 0.996 -5.878 7.108) 9.277 1.607 ( -0.238 2.770 -3.036) 4.117 1.764 ( -6.207 2.882 -5.777) 8.956 1.971 ( -3.154 10.022 1.128) 10.567 2.064 ( 5.488 0.147 2.119) 5.885 2.181 ( 3.531 -3.287 -1.125) 4.954 2.294 ( -3.823 -1.528 1.591) 4.414 2.336 ( -2.959 -0.171 -3.549) 4.624 2.589 ( 1.274 -1.721 -0.865) 2.309 2.617 ( 3.900 -1.763 2.991) 5.221 2.724 ( -0.385 -2.638 1.248) 2.944 2.983 ( -3.054 5.882 0.228) 6.632 3.055 ( -3.022 2.468 -2.520) 4.645 4.407 ( -1.275 6.873 21.990) 23.074 4.716 ( 1.333 1.497 36.933) 36.988 4.744 ( 2.264 3.288 0.500) 4.024 4.837 ( -2.114 2.358 5.706) 6.525 4.973 ( -1.870 -3.518 -0.941) 4.094 5.402 ( 1.370 4.040 -0.055) 4.266 6.380 ( -3.549 -13.938 -17.988) 23.031 6.984 ( -0.376 0.000 -32.235) 32.237 8.209 ( -3.339 1.865 22.122) 22.450 9.101 ( 2.138 -3.043 -8.005) 8.827 12.068 ( 2.649 0.590 25.797) 25.939 12.455 ( -0.012 -0.057 35.785) 35.785 13.898 ( 11.506 0.449 -8.715) 14.441 14.833 ( 0.517 0.309 -22.386) 22.394 15.064 ( -18.982 7.782 26.460) 33.482 15.822 ( -0.316 -0.464 4.243) 4.280 16.124 ( 1.653 0.648 -5.596) 5.871 16.371 ( -3.943 -1.934 -12.598) 13.342 18.706 ( 0.168 -4.586 3.975) 6.071 18.977 ( 1.545 -1.401 -4.750) 5.188 ======================= Grid point 228 (78/105) ======================= q-point: ( 0.50 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( -1.261 10.319 4.826) 11.461 1.017 ( 4.225 4.312 0.471) 6.055 1.330 ( 1.561 -2.069 -0.763) 2.702 1.484 ( -2.714 -0.785 -2.776) 3.961 1.543 ( -4.468 1.495 0.474) 4.736 1.625 ( -0.493 3.698 -5.785) 6.884 1.824 ( -2.941 2.489 1.409) 4.103 2.122 ( -2.990 -3.352 3.210) 5.521 2.214 ( 3.615 5.365 -0.164) 6.471 2.326 ( 8.501 -1.965 -4.024) 9.608 2.364 ( -2.296 -4.084 -5.548) 7.261 2.547 ( 1.621 6.632 -5.208) 8.587 2.682 ( 1.965 -1.534 2.984) 3.888 2.782 ( -2.205 5.876 6.273) 8.873 2.872 ( 0.910 -4.918 -0.282) 5.009 2.975 ( -3.455 2.428 -3.010) 5.186 4.266 ( -1.267 7.776 17.125) 18.851 4.655 ( 1.319 7.709 -2.803) 8.308 4.717 ( 0.636 1.256 35.328) 35.356 4.767 ( -2.193 2.628 10.064) 10.630 5.018 ( -0.340 -3.420 -1.916) 3.935 5.397 ( 0.520 -1.694 10.764) 10.908 6.584 ( -2.685 -13.988 -19.662) 24.279 6.981 ( -0.192 -0.082 -32.356) 32.356 8.152 ( -1.550 1.660 24.108) 24.214 9.183 ( 1.966 -4.106 -10.144) 11.118 12.074 ( 1.322 1.494 26.012) 26.088 12.456 ( 0.009 -0.077 36.088) 36.088 13.969 ( 6.268 4.245 -13.981) 15.899 14.766 ( -8.234 4.403 28.837) 30.310 14.851 ( -1.701 0.739 -15.648) 15.757 15.829 ( -0.132 -0.654 4.442) 4.492 16.126 ( 0.666 0.643 -5.239) 5.320 16.374 ( -1.941 -2.570 -15.457) 15.789 18.785 ( -0.763 -5.216 3.091) 6.111 19.025 ( 1.493 -2.257 -4.751) 5.468 ======================= Grid point 229 (79/105) ======================= q-point: (-0.38 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( -1.500 14.535 0.824) 14.636 0.995 ( 3.462 3.722 -2.638) 5.727 1.318 ( -4.671 3.606 -1.587) 6.111 1.383 ( -2.266 1.516 3.369) 4.334 1.527 ( -0.510 -0.940 -8.920) 8.984 1.635 ( 2.004 -0.481 -4.278) 4.748 1.834 ( -1.668 -6.347 0.031) 6.563 2.091 ( -0.899 3.317 3.695) 5.046 2.190 ( 0.316 3.000 -7.827) 8.388 2.360 ( 1.634 4.800 -2.952) 5.867 2.383 ( -1.022 1.670 -2.931) 3.525 2.516 ( 3.875 -3.393 -4.778) 7.026 2.622 ( -1.187 8.028 5.949) 10.062 2.728 ( 1.550 -1.257 4.365) 4.799 2.905 ( -1.126 1.325 -0.032) 1.739 3.020 ( 0.999 -6.958 -3.194) 7.721 4.155 ( -0.636 3.966 14.578) 15.121 4.548 ( 0.228 5.587 -7.175) 9.097 4.705 ( 0.119 1.221 41.135) 41.153 4.722 ( -0.920 0.003 10.038) 10.081 5.069 ( 0.304 -2.638 -1.549) 3.074 5.435 ( 0.051 -1.856 16.293) 16.398 6.747 ( -1.548 -8.646 -20.856) 22.630 6.982 ( -0.057 -0.137 -32.481) 32.482 8.121 ( -0.627 0.627 25.358) 25.374 9.270 ( 1.627 -3.757 -12.547) 13.198 12.051 ( 0.242 2.193 25.478) 25.574 12.457 ( 0.014 -0.027 36.337) 36.337 13.887 ( 0.099 9.280 -16.253) 18.716 14.698 ( -1.534 -3.097 40.537) 40.684 14.836 ( -0.323 0.612 -22.642) 22.652 15.839 ( 0.024 -0.667 4.647) 4.694 16.121 ( 0.100 0.378 -4.985) 5.000 16.411 ( -0.235 -3.404 -16.651) 16.997 18.853 ( -0.658 -4.100 2.333) 4.763 19.076 ( 1.125 -1.901 -5.239) 5.686 ======================= Grid point 230 (80/105) ======================= q-point: (-0.25 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.526 ( 0.000 9.533 -3.632) 10.201 0.947 ( 0.000 5.337 -6.903) 8.725 1.198 ( 0.000 5.775 -0.259) 5.781 1.397 ( -0.000 -3.988 4.969) 6.371 1.545 ( -0.000 -1.717 -11.356) 11.485 1.658 ( -0.000 -1.162 -3.776) 3.951 1.945 ( -0.000 -6.497 -1.705) 6.717 2.020 ( 0.000 4.214 1.356) 4.427 2.142 ( 0.000 0.858 -3.807) 3.902 2.170 ( 0.000 11.626 -4.385) 12.426 2.490 ( 0.000 7.082 4.900) 8.612 2.493 ( -0.000 -8.714 0.804) 8.751 2.623 ( -0.000 -5.905 -2.681) 6.485 2.736 ( 0.000 1.462 2.141) 2.593 2.897 ( -0.000 -0.571 1.165) 1.297 3.106 ( -0.000 -2.879 -3.952) 4.890 4.132 ( -0.000 -1.476 13.131) 13.213 4.490 ( 0.000 1.658 -7.260) 7.447 4.684 ( 0.000 1.011 38.684) 38.697 4.750 ( -0.000 -3.578 13.729) 14.187 5.105 ( -0.000 -1.386 -0.947) 1.679 5.445 ( 0.000 0.872 18.234) 18.255 6.824 ( -0.000 -1.755 -21.492) 21.564 6.984 ( -0.000 -0.187 -32.485) 32.486 8.121 ( -0.000 -1.194 25.547) 25.575 9.326 ( -0.000 -1.446 -14.459) 14.531 12.014 ( 0.000 2.346 24.496) 24.608 12.457 ( 0.000 0.039 36.482) 36.482 13.719 ( 0.000 10.207 -13.956) 17.290 14.803 ( -0.000 -10.160 40.801) 42.047 14.822 ( 0.000 0.810 -23.720) 23.734 15.849 ( -0.000 -0.505 4.801) 4.828 16.116 ( 0.000 0.327 -4.552) 4.564 16.473 ( -0.000 -4.123 -16.767) 17.266 18.902 ( -0.000 -2.223 1.230) 2.541 19.099 ( 0.000 0.391 -5.896) 5.909 ======================= Grid point 235 (81/105) ======================= q-point: ( 0.38 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( -0.913 0.000 4.347) 4.442 1.170 ( 1.280 -0.000 6.454) 6.580 1.314 ( 2.859 -0.000 -0.027) 2.859 1.355 ( 1.678 -0.000 7.069) 7.265 1.648 ( 2.250 -0.000 -3.547) 4.200 1.679 ( -11.368 0.000 -3.663) 11.943 2.076 ( -4.768 0.000 1.768) 5.085 2.119 ( -1.122 0.000 -6.568) 6.663 2.122 ( 0.347 -0.000 -1.772) 1.805 2.253 ( 1.839 -0.000 -0.993) 2.090 2.346 ( 8.183 -0.000 5.176) 9.683 2.559 ( 2.360 -0.000 -0.685) 2.457 2.670 ( 2.994 -0.000 3.168) 4.358 2.701 ( -0.668 0.000 -1.901) 2.015 3.010 ( -7.456 0.000 -1.553) 7.616 3.015 ( -1.117 0.000 1.131) 1.589 4.457 ( -1.162 0.000 26.484) 26.509 4.738 ( 0.735 -0.000 41.279) 41.286 4.794 ( 2.020 -0.000 -2.812) 3.463 4.858 ( -0.652 0.000 1.842) 1.954 4.900 ( -2.057 0.000 -0.234) 2.070 5.479 ( 1.204 -0.000 -6.749) 6.855 6.202 ( -3.231 0.000 -15.607) 15.938 6.979 ( -0.322 0.000 -32.199) 32.201 8.191 ( -2.275 0.000 23.097) 23.209 9.100 ( 2.059 -0.000 -7.792) 8.060 12.101 ( 2.023 -0.000 26.566) 26.642 12.454 ( -0.031 0.000 35.888) 35.888 14.035 ( 11.223 -0.000 -9.951) 14.999 14.842 ( 0.438 -0.000 -22.771) 22.776 14.905 ( -18.476 0.000 28.751) 34.175 15.816 ( -0.175 0.000 4.272) 4.275 16.152 ( 1.587 -0.000 -6.882) 7.063 16.313 ( -2.893 0.000 -12.451) 12.782 18.676 ( 0.806 -0.000 4.832) 4.899 18.980 ( 1.162 -0.000 -5.058) 5.189 ======================= Grid point 236 (82/105) ======================= q-point: ( 0.50 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( -1.837 2.911 7.719) 8.452 1.147 ( 2.429 3.583 8.230) 9.299 1.355 ( 4.480 0.395 -2.089) 4.959 1.407 ( -0.511 -3.994 1.110) 4.177 1.516 ( -9.256 3.590 -2.295) 10.190 1.677 ( 2.338 0.995 -3.300) 4.165 1.899 ( -3.029 9.467 0.939) 9.984 2.065 ( -1.464 0.678 0.313) 1.644 2.227 ( -0.434 -6.214 -3.289) 7.044 2.278 ( -1.589 -1.940 -5.187) 5.761 2.473 ( 12.163 2.626 -0.621) 12.458 2.624 ( 2.031 -2.621 -0.975) 3.456 2.663 ( 0.660 0.672 -1.102) 1.449 2.733 ( -0.193 -4.351 3.072) 5.330 2.884 ( -6.519 4.220 0.621) 7.790 2.981 ( -1.521 2.586 0.954) 3.148 4.382 ( -0.715 6.986 22.284) 23.364 4.738 ( 0.467 0.789 40.953) 40.963 4.780 ( 1.017 4.452 -1.789) 4.904 4.800 ( -1.083 3.552 2.390) 4.416 4.947 ( -0.508 -4.576 -1.731) 4.919 5.422 ( 0.442 4.584 0.004) 4.605 6.317 ( -1.668 -14.442 -16.923) 22.310 6.977 ( -0.151 -0.101 -32.239) 32.240 8.162 ( -0.924 1.203 24.195) 24.243 9.142 ( 1.165 -2.796 -8.786) 9.293 12.109 ( 0.927 1.079 26.792) 26.829 12.455 ( -0.011 -0.089 36.073) 36.073 14.115 ( 6.845 3.890 -16.432) 18.221 14.711 ( -9.979 1.909 36.757) 38.136 14.846 ( -0.061 -0.028 -22.389) 22.389 15.818 ( -0.077 -0.467 4.383) 4.409 16.151 ( 0.626 1.382 -6.680) 6.850 16.312 ( -1.274 -2.493 -14.112) 14.387 18.711 ( 0.184 -3.251 4.492) 5.549 19.004 ( 0.691 -1.607 -5.078) 5.371 ======================= Grid point 237 (83/105) ======================= q-point: (-0.38 -0.62 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( 0.000 8.352 5.867) 10.206 1.090 ( 0.000 5.477 3.899) 6.723 1.361 ( 0.000 3.706 -2.517) 4.480 1.394 ( 0.000 2.022 1.555) 2.551 1.479 ( -0.000 -4.281 -4.949) 6.544 1.665 ( 0.000 2.030 -4.674) 5.096 1.778 ( 0.000 1.987 1.246) 2.345 2.074 ( -0.000 -2.478 4.326) 4.985 2.255 ( 0.000 2.953 -9.362) 9.816 2.327 ( -0.000 -5.148 -2.675) 5.801 2.454 ( 0.000 5.168 -2.341) 5.673 2.602 ( 0.000 6.773 -6.157) 9.154 2.694 ( -0.000 -1.892 1.880) 2.667 2.754 ( 0.000 6.291 6.597) 9.116 2.871 ( -0.000 -10.538 -2.108) 10.747 2.925 ( 0.000 2.258 1.862) 2.927 4.250 ( 0.000 7.752 17.511) 19.150 4.671 ( 0.000 8.678 -6.842) 11.051 4.724 ( 0.000 1.194 36.356) 36.376 4.740 ( 0.000 2.429 12.224) 12.463 5.016 ( -0.000 -3.976 -1.958) 4.432 5.403 ( -0.000 -1.408 10.538) 10.631 6.550 ( -0.000 -14.074 -19.163) 23.777 6.979 ( -0.000 -0.151 -32.357) 32.358 8.135 ( 0.000 1.404 25.083) 25.123 9.210 ( -0.000 -4.350 -10.638) 11.493 12.088 ( 0.000 1.967 26.345) 26.418 12.456 ( -0.000 -0.095 36.225) 36.225 14.044 ( 0.000 8.647 -18.793) 20.687 14.652 ( -0.000 -0.788 41.659) 41.666 14.843 ( 0.000 0.364 -23.078) 23.081 15.828 ( -0.000 -0.720 4.528) 4.585 16.133 ( 0.000 1.023 -5.943) 6.030 16.354 ( -0.000 -3.268 -15.575) 15.914 18.777 ( -0.000 -4.567 3.659) 5.852 19.044 ( -0.000 -2.537 -5.162) 5.752 ======================= Grid point 246 (84/105) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 97 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( -0.000 0.000 9.156) 9.156 1.177 ( 0.000 -0.000 12.027) 12.027 1.374 ( 0.000 -0.000 0.546) 0.546 1.413 ( 0.000 -0.000 -2.693) 2.693 1.466 ( 0.000 -0.000 -3.198) 3.198 1.698 ( 0.000 -0.000 -0.877) 0.877 1.990 ( 0.000 -0.000 0.011) 0.011 2.114 ( 0.000 -0.000 -5.491) 5.491 2.124 ( 0.000 -0.000 -1.084) 1.084 2.219 ( 0.000 -0.000 -0.593) 0.593 2.594 ( 0.000 -0.000 0.035) 0.035 2.604 ( -0.000 0.000 -1.752) 1.752 2.676 ( 0.000 -0.000 -0.002) 0.002 2.689 ( 0.000 -0.000 -2.747) 2.747 2.859 ( -0.000 0.000 4.363) 4.363 3.003 ( 0.000 -0.000 1.009) 1.009 4.442 ( 0.000 -0.000 26.050) 26.050 4.745 ( 0.000 -0.000 42.347) 42.347 4.817 ( 0.000 -0.000 -3.340) 3.340 4.851 ( 0.000 -0.000 1.541) 1.541 4.877 ( 0.000 -0.000 -1.458) 1.458 5.491 ( 0.000 -0.000 -6.543) 6.543 6.163 ( 0.000 -0.000 -14.879) 14.879 6.976 ( 0.000 -0.000 -32.194) 32.194 8.167 ( 0.000 -0.000 24.180) 24.180 9.125 ( 0.000 -0.000 -8.218) 8.218 12.124 ( 0.000 -0.000 27.112) 27.112 12.454 ( 0.000 -0.000 36.089) 36.089 14.200 ( 0.000 -0.000 -21.430) 21.430 14.655 ( -0.000 0.000 41.705) 41.705 14.846 ( 0.000 -0.000 -22.623) 22.623 15.814 ( 0.000 -0.000 4.359) 4.359 16.171 ( 0.000 -0.000 -7.345) 7.345 16.280 ( 0.000 -0.000 -13.619) 13.619 18.686 ( 0.000 -0.000 4.905) 4.905 18.994 ( 0.000 -0.000 -5.146) 5.146 ======================= Grid point 276 (85/105) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.520 ( 0.000 0.000 9.422) 9.422 0.741 ( 0.000 0.000 -13.656) 13.656 1.422 ( 0.000 0.000 5.637) 5.637 1.443 ( 0.000 0.000 10.612) 10.612 1.537 ( 0.000 0.000 -5.690) 5.690 1.562 ( 0.000 0.000 -1.834) 1.834 2.191 ( 0.000 0.000 -2.156) 2.156 2.191 ( 0.000 0.000 -2.444) 2.444 2.258 ( 0.000 0.000 0.778) 0.778 2.259 ( 0.000 0.000 0.692) 0.692 2.419 ( 0.000 0.000 3.533) 3.533 2.492 ( 0.000 0.000 -3.990) 3.990 2.818 ( 0.000 0.000 1.865) 1.865 2.848 ( 0.000 0.000 -1.384) 1.384 3.042 ( 0.000 0.000 4.805) 4.805 3.115 ( 0.000 0.000 -2.843) 2.843 4.637 ( 0.000 0.000 3.420) 3.420 4.705 ( 0.000 0.000 -0.932) 0.932 4.998 ( 0.000 0.000 2.829) 2.829 5.027 ( 0.000 0.000 0.202) 0.202 5.538 ( 0.000 0.000 21.678) 21.678 5.558 ( 0.000 0.000 41.948) 41.948 5.996 ( 0.000 0.000 -23.936) 23.936 6.331 ( 0.000 0.000 -38.264) 38.264 8.710 ( 0.000 0.000 9.648) 9.648 8.876 ( 0.000 0.000 -7.492) 7.492 12.347 ( 0.000 0.000 21.586) 21.586 12.698 ( 0.000 0.000 -11.725) 11.725 13.567 ( 0.000 0.000 33.156) 33.156 14.236 ( 0.000 0.000 -33.306) 33.306 15.910 ( 0.000 0.000 4.054) 4.054 15.982 ( 0.000 0.000 -3.170) 3.170 16.307 ( 0.000 0.000 7.367) 7.367 16.439 ( 0.000 0.000 -6.233) 6.233 18.717 ( 0.000 0.000 5.062) 5.062 18.815 ( 0.000 0.000 -5.128) 5.128 ======================= Grid point 277 (86/105) ======================= q-point: ( 0.12 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.578 ( 8.929 0.192 6.253) 10.902 0.749 ( 4.689 2.070 -11.211) 12.327 1.372 ( -0.440 6.604 11.137) 12.956 1.447 ( 0.396 -1.898 4.130) 4.562 1.557 ( 1.531 0.684 -4.883) 5.163 1.563 ( 1.955 -0.167 -5.470) 5.811 2.135 ( -5.181 0.573 3.052) 6.040 2.176 ( -3.449 3.672 -0.593) 5.072 2.258 ( 3.655 2.209 1.448) 4.509 2.301 ( 3.652 -1.903 -2.373) 4.753 2.363 ( 0.360 5.725 3.455) 6.697 2.449 ( -1.380 2.278 -5.202) 5.845 2.802 ( -1.397 1.126 1.033) 2.071 2.814 ( -3.086 1.523 -0.245) 3.450 3.032 ( 0.201 1.736 3.756) 4.143 3.098 ( -1.588 1.229 -3.187) 3.767 4.572 ( 1.235 7.691 3.786) 8.661 4.645 ( 1.170 7.670 -2.440) 8.133 4.989 ( -1.187 0.265 3.741) 3.933 5.032 ( -1.220 -1.162 -0.690) 1.821 5.553 ( -0.180 0.412 41.848) 41.851 5.602 ( -0.016 -7.169 23.165) 24.249 6.071 ( -0.501 -8.778 -24.230) 25.775 6.326 ( -0.124 0.382 -38.248) 38.250 8.673 ( -1.290 2.613 13.369) 13.683 8.905 ( -0.768 -3.128 -10.839) 11.308 12.371 ( 2.359 -1.110 21.984) 22.138 12.721 ( 2.154 -1.158 -10.782) 11.056 13.594 ( 2.902 -1.170 31.361) 31.517 14.246 ( 1.059 -0.450 -32.904) 32.924 15.906 ( -0.111 0.847 5.099) 5.170 15.984 ( 0.159 0.041 -2.258) 2.264 16.166 ( -5.700 10.427 11.753) 16.713 16.391 ( -3.844 3.811 -10.870) 12.143 18.770 ( 0.096 -5.536 3.412) 6.504 18.844 ( 0.326 -2.957 -4.185) 5.134 ======================= Grid point 278 (87/105) ======================= q-point: ( 0.25 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.656 ( 9.614 4.348 3.921) 11.257 0.791 ( 8.621 2.367 -9.077) 12.740 1.266 ( -0.126 4.631 9.529) 10.595 1.429 ( -1.732 3.344 -5.730) 6.857 1.570 ( 3.254 0.137 0.182) 3.262 1.616 ( 2.589 -1.448 -3.402) 4.514 2.034 ( -2.137 7.643 2.083) 8.205 2.056 ( -0.708 4.266 0.703) 4.381 2.226 ( -3.522 1.692 2.695) 4.746 2.265 ( 1.525 6.853 0.069) 7.021 2.374 ( 3.272 -2.168 2.083) 4.444 2.468 ( -0.420 -4.190 -6.321) 7.595 2.742 ( -2.897 2.322 1.206) 3.903 2.764 ( -0.009 2.204 -0.985) 2.414 2.978 ( -2.221 3.588 2.922) 5.133 3.038 ( -3.458 2.433 -3.275) 5.348 4.449 ( 1.025 8.342 3.711) 9.188 4.517 ( 1.409 8.615 -3.501) 9.405 4.965 ( -1.796 0.487 5.036) 5.369 5.032 ( -1.896 -0.907 -1.947) 2.865 5.541 ( -0.274 0.747 42.014) 42.022 5.738 ( 0.275 -8.397 24.981) 26.356 6.230 ( 0.023 -9.873 -24.928) 26.812 6.318 ( -0.100 0.458 -38.170) 38.173 8.620 ( -1.234 1.844 18.301) 18.435 8.939 ( -1.635 -2.548 -15.029) 15.330 12.426 ( 3.235 -1.519 22.895) 23.172 12.772 ( 2.648 -1.478 -8.188) 8.731 13.664 ( 4.603 -1.905 26.572) 27.035 14.271 ( 1.583 -0.681 -31.853) 31.899 15.810 ( -4.400 10.738 21.164) 24.137 15.954 ( -1.954 1.162 7.000) 7.360 16.015 ( -0.751 0.324 -4.324) 4.401 16.251 ( -5.337 5.906 -17.381) 19.117 18.864 ( -0.455 -5.485 1.302) 5.656 18.904 ( 0.171 -3.718 -2.743) 4.623 ======================= Grid point 279 (88/105) ======================= q-point: ( 0.38 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.659 ( 7.012 5.876 5.319) 10.582 0.802 ( 3.840 5.572 -7.763) 10.298 1.270 ( 3.595 -2.882 2.063) 5.048 1.368 ( 0.108 1.521 -7.130) 7.292 1.551 ( -1.277 4.052 4.024) 5.851 1.622 ( -0.922 3.202 -3.517) 4.845 1.959 ( 0.221 -0.667 2.510) 2.606 2.029 ( 2.982 -0.407 -4.514) 5.425 2.140 ( -0.433 5.841 2.999) 6.581 2.198 ( 2.721 4.506 -2.114) 5.673 2.431 ( -2.373 -3.398 3.081) 5.164 2.488 ( -4.128 -1.033 -2.482) 4.926 2.695 ( 1.433 1.436 3.351) 3.918 2.765 ( 3.631 0.646 -2.916) 4.701 2.880 ( -3.984 2.878 2.618) 5.568 2.956 ( -4.107 2.132 -4.234) 6.272 4.343 ( 0.311 5.226 4.443) 6.867 4.421 ( 0.827 4.559 -4.453) 6.426 4.938 ( -1.231 0.543 6.090) 6.237 5.023 ( -1.313 -0.388 -2.866) 3.176 5.527 ( -0.155 0.571 42.410) 42.414 5.855 ( 0.292 -5.076 25.874) 26.369 6.310 ( -0.030 0.284 -38.054) 38.055 6.364 ( 0.256 -5.863 -25.631) 26.294 8.588 ( -0.682 0.767 20.901) 20.926 8.952 ( -1.322 -1.248 -17.045) 17.141 12.480 ( 2.223 -1.043 23.738) 23.864 12.818 ( 1.620 -0.942 -5.279) 5.602 13.743 ( 3.671 -1.568 21.108) 21.482 14.298 ( 1.189 -0.519 -30.662) 30.689 15.587 ( -4.367 7.870 30.858) 32.144 15.938 ( -0.753 -0.054 4.910) 4.968 16.020 ( 0.734 -0.240 -6.394) 6.440 16.114 ( -4.066 3.681 -21.100) 21.801 18.925 ( -0.398 -2.657 0.921) 2.840 18.957 ( -0.206 -2.495 -2.310) 3.406 ======================= Grid point 280 (89/105) ======================= q-point: (-0.50 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( 0.000 -0.000 4.517) 4.517 0.759 ( -0.000 0.000 -5.842) 5.842 1.360 ( -0.000 0.000 -3.345) 3.345 1.368 ( 0.000 -0.000 -4.309) 4.309 1.491 ( 0.000 -0.000 1.893) 1.893 1.543 ( 0.000 -0.000 -3.079) 3.079 2.017 ( 0.000 -0.000 1.923) 1.923 2.042 ( 0.000 0.000 3.180) 3.180 2.092 ( 0.000 0.000 -2.658) 2.658 2.162 ( 0.000 -0.000 -5.712) 5.712 2.442 ( 0.000 -0.000 1.856) 1.856 2.456 ( -0.000 -0.000 -0.051) 0.051 2.734 ( 0.000 -0.000 6.287) 6.287 2.738 ( 0.000 -0.000 4.035) 4.035 2.864 ( -0.000 -0.000 -4.856) 4.856 2.892 ( 0.000 -0.000 -5.490) 5.490 4.300 ( 0.000 -0.000 5.027) 5.027 4.389 ( 0.000 -0.000 -4.983) 4.983 4.926 ( 0.000 -0.000 6.546) 6.546 5.018 ( 0.000 -0.000 -3.217) 3.217 5.521 ( 0.000 -0.000 42.595) 42.595 5.899 ( 0.000 -0.000 26.094) 26.094 6.307 ( 0.000 -0.000 -38.000) 38.000 6.415 ( 0.000 -0.000 -25.895) 25.895 8.579 ( 0.000 -0.000 21.607) 21.607 8.955 ( 0.000 -0.000 -17.541) 17.541 12.502 ( 0.000 -0.000 24.067) 24.067 12.835 ( 0.000 -0.000 -4.022) 4.022 13.779 ( 0.000 -0.000 18.608) 18.608 14.310 ( 0.000 -0.000 -30.118) 30.118 15.495 ( 0.000 -0.000 33.410) 33.410 15.933 ( 0.000 -0.000 3.849) 3.849 16.033 ( 0.000 -0.000 -4.671) 4.671 16.055 ( 0.000 -0.000 -23.623) 23.623 18.944 ( 0.000 -0.000 1.011) 1.011 18.976 ( 0.000 -0.000 -2.276) 2.276 ======================= Grid point 286 (90/105) ======================= q-point: ( 0.12 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( 13.172 -0.000 2.883) 13.483 0.831 ( 6.877 -0.000 -9.410) 11.655 1.442 ( 0.880 -0.000 5.074) 5.150 1.443 ( 0.397 -0.000 7.885) 7.895 1.580 ( 3.124 -0.000 -2.642) 4.092 1.586 ( 3.192 -0.000 -0.620) 3.252 2.103 ( -3.854 0.000 -1.616) 4.179 2.107 ( -3.828 0.000 -2.122) 4.377 2.304 ( -2.715 0.000 1.417) 3.063 2.345 ( -1.025 0.000 -2.588) 2.783 2.426 ( 4.087 -0.000 2.195) 4.639 2.457 ( 1.995 -0.000 -0.829) 2.161 2.759 ( -7.456 0.000 1.795) 7.669 2.778 ( -3.846 0.000 -0.245) 3.853 3.062 ( 1.309 -0.000 1.417) 1.929 3.094 ( -1.397 0.000 -1.566) 2.099 4.671 ( 2.698 -0.000 3.178) 4.169 4.729 ( 1.764 -0.000 0.074) 1.766 4.974 ( -1.974 0.000 2.462) 3.156 5.001 ( -2.165 0.000 -0.155) 2.171 5.534 ( -0.340 0.000 21.456) 21.459 5.557 ( -0.068 0.000 40.882) 40.882 5.974 ( -1.844 0.000 -23.213) 23.286 6.327 ( -0.284 0.000 -38.157) 38.158 8.673 ( -2.772 0.000 11.717) 12.041 8.871 ( -0.279 0.000 -8.802) 8.807 12.401 ( 4.371 -0.000 22.379) 22.802 12.746 ( 3.701 -0.000 -9.208) 9.924 13.633 ( 5.576 -0.000 28.778) 29.313 14.260 ( 1.968 -0.000 -32.273) 32.333 15.909 ( -0.086 0.000 4.298) 4.299 15.987 ( 0.437 -0.000 -3.354) 3.382 16.157 ( -12.407 0.000 11.239) 16.741 16.356 ( -6.963 0.000 -9.037) 11.408 18.726 ( 0.789 -0.000 5.111) 5.172 18.825 ( 0.863 -0.000 -5.165) 5.237 ======================= Grid point 287 (91/105) ======================= q-point: ( 0.25 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.833 ( 11.096 2.740 1.038) 11.477 0.917 ( 8.955 0.035 -7.225) 11.506 1.365 ( -0.034 7.011 9.064) 11.460 1.457 ( 0.600 0.907 0.737) 1.314 1.613 ( 1.726 0.237 -0.519) 1.818 1.637 ( 4.227 0.341 -3.911) 5.768 2.054 ( -1.526 -1.588 4.396) 4.917 2.114 ( -1.498 2.032 -0.749) 2.633 2.200 ( -6.085 2.947 1.212) 6.869 2.281 ( -4.696 0.633 -5.834) 7.516 2.444 ( 2.987 3.813 2.786) 5.588 2.491 ( 4.340 2.396 -1.961) 5.331 2.692 ( -5.598 -2.229 3.170) 6.808 2.743 ( -3.431 -1.679 -1.936) 4.283 3.036 ( -0.517 4.249 0.457) 4.304 3.054 ( -1.608 2.769 -1.182) 3.414 4.613 ( 1.857 9.059 4.296) 10.196 4.683 ( 1.835 7.977 -2.156) 8.464 4.944 ( -2.495 0.241 3.232) 4.090 4.986 ( -2.538 -1.303 -1.310) 3.139 5.549 ( -0.155 0.487 41.855) 41.858 5.600 ( -0.147 -7.541 21.526) 22.809 6.047 ( -1.680 -10.294 -23.090) 25.337 6.321 ( -0.286 0.243 -38.023) 38.025 8.629 ( -2.173 1.346 15.296) 15.508 8.887 ( -0.398 -1.965 -11.675) 11.846 12.458 ( 4.795 -0.325 23.168) 23.661 12.793 ( 3.602 -0.439 -6.232) 7.212 13.710 ( 6.781 -0.492 23.698) 24.654 14.286 ( 2.250 -0.185 -31.075) 31.157 15.885 ( -5.268 5.243 12.733) 14.744 15.943 ( -7.084 2.552 11.071) 13.389 16.005 ( -0.657 -0.276 -4.259) 4.319 16.245 ( -8.253 2.715 -14.453) 16.864 18.776 ( 0.476 -4.377 4.056) 5.986 18.858 ( 0.969 -2.485 -4.513) 5.242 ======================= Grid point 288 (92/105) ======================= q-point: ( 0.38 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( 8.686 6.760 3.410) 11.523 0.972 ( 5.943 6.228 -6.214) 10.617 1.285 ( 1.912 1.690 5.828) 6.362 1.418 ( 0.702 3.861 -6.419) 7.524 1.586 ( -2.215 2.677 2.644) 4.366 1.643 ( -1.949 1.527 -3.490) 4.280 1.993 ( -1.855 5.207 5.432) 7.749 2.095 ( 3.945 2.348 -3.514) 5.782 2.153 ( -0.830 -2.777 4.722) 5.541 2.265 ( -1.002 -0.840 -4.903) 5.074 2.380 ( -3.679 1.498 2.415) 4.649 2.451 ( -1.615 3.816 -4.271) 5.951 2.705 ( 0.958 -1.722 3.796) 4.277 2.781 ( 1.879 -3.566 -3.720) 5.485 2.922 ( -2.586 6.695 2.776) 7.695 2.975 ( -1.946 4.241 -2.652) 5.366 4.466 ( 0.250 9.412 4.743) 10.543 4.546 ( 0.913 9.351 -4.136) 10.265 4.918 ( -2.133 -0.364 4.860) 5.320 4.988 ( -1.710 -1.741 -2.524) 3.511 5.537 ( 0.021 0.730 42.110) 42.116 5.740 ( -0.181 -8.698 23.737) 25.281 6.216 ( -1.373 -11.149 -24.076) 26.568 6.314 ( -0.195 0.292 -37.910) 37.912 8.593 ( -0.972 0.840 18.975) 19.018 8.917 ( -0.056 -1.928 -14.832) 14.956 12.507 ( 3.492 0.259 23.878) 24.133 12.833 ( 2.374 -0.102 -3.550) 4.272 13.784 ( 5.320 0.237 18.666) 19.411 14.311 ( 1.655 0.047 -29.942) 29.988 15.641 ( -9.348 7.606 28.134) 30.606 15.924 ( -0.572 -0.576 4.804) 4.872 16.018 ( 0.539 -0.675 -4.983) 5.057 16.111 ( -6.204 2.792 -20.568) 21.663 18.854 ( -0.264 -4.689 2.736) 5.435 18.915 ( 0.821 -3.001 -3.573) 4.737 ======================= Grid point 289 (93/105) ======================= q-point: ( 0.50 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( 3.817 12.101 3.591) 13.187 0.863 ( 2.414 9.231 -3.252) 10.080 1.343 ( 2.245 -3.127 -1.624) 4.178 1.373 ( -1.153 2.401 -4.386) 5.131 1.509 ( -1.457 2.703 0.784) 3.169 1.550 ( -3.756 2.723 -2.659) 5.347 1.954 ( -1.977 -2.241 5.184) 5.984 2.069 ( -1.310 1.434 -6.190) 6.487 2.157 ( 2.560 6.648 3.843) 8.095 2.250 ( 2.271 6.038 -4.410) 7.814 2.366 ( -1.884 -4.646 1.550) 5.247 2.412 ( -1.833 -4.789 -2.515) 5.711 2.752 ( 1.026 0.101 4.137) 4.264 2.777 ( -0.335 4.889 5.085) 7.062 2.870 ( 0.528 0.053 -4.414) 4.446 2.902 ( 1.464 0.074 -3.960) 4.222 4.340 ( -0.445 5.323 5.199) 7.454 4.431 ( -0.004 5.186 -5.007) 7.208 4.910 ( -1.168 -0.966 6.420) 6.596 5.003 ( -0.429 -1.565 -3.384) 3.753 5.527 ( 0.190 0.584 42.414) 42.418 5.853 ( -0.460 -5.197 25.147) 25.683 6.308 ( -0.112 0.185 -38.002) 38.003 6.349 ( -1.511 -6.801 -25.054) 26.005 8.579 ( -0.075 0.141 21.356) 21.357 8.948 ( 0.900 -1.357 -17.097) 17.174 12.521 ( 1.274 1.368 24.163) 24.235 12.846 ( 0.841 0.715 -2.884) 3.089 13.806 ( 1.561 2.082 16.941) 17.140 14.318 ( 0.463 0.620 -29.684) 29.694 15.486 ( -4.006 1.633 32.920) 33.203 15.928 ( -0.192 -0.464 3.490) 3.526 16.016 ( -2.436 0.009 -11.018) 11.284 16.056 ( 0.502 -0.508 -16.598) 16.614 18.913 ( -0.427 -2.973 2.227) 3.739 18.966 ( 0.845 -1.917 -3.266) 3.880 ======================= Grid point 290 (94/105) ======================= q-point: (-0.38 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.612 ( -2.440 8.160 6.544) 10.740 0.771 ( 0.483 4.664 -8.456) 9.669 1.282 ( -4.285 3.805 0.630) 5.765 1.358 ( -0.845 0.680 -7.069) 7.152 1.496 ( 0.429 -3.190 4.282) 5.357 1.573 ( 1.134 -3.406 -3.829) 5.248 1.994 ( -1.742 -3.892 0.949) 4.368 2.014 ( -0.871 2.863 0.426) 3.022 2.078 ( -1.065 3.102 -0.767) 3.368 2.134 ( -2.444 3.522 -4.716) 6.373 2.475 ( 2.767 -5.408 2.413) 6.536 2.506 ( 3.571 -3.329 -0.886) 4.962 2.658 ( -3.110 2.480 4.635) 6.108 2.746 ( -2.533 3.260 -3.100) 5.163 2.889 ( 3.838 -2.018 2.966) 5.253 2.977 ( 4.035 -1.970 -4.960) 6.691 4.293 ( -0.521 -0.184 4.956) 4.986 4.381 ( -0.579 0.530 -5.004) 5.066 4.925 ( -0.026 -1.723 7.144) 7.349 5.027 ( 0.628 -1.210 -3.504) 3.760 5.524 ( 0.245 0.032 42.506) 42.507 5.891 ( -0.598 -0.116 25.952) 25.959 6.306 ( -0.059 -0.092 -38.253) 38.253 6.395 ( -1.379 -0.841 -25.554) 25.605 8.584 ( 0.409 -0.476 22.493) 22.502 8.978 ( 1.620 -0.365 -18.529) 18.603 12.493 ( -0.652 2.410 23.866) 23.996 12.828 ( -0.493 1.706 -4.706) 5.030 13.755 ( -1.638 3.598 20.127) 20.512 14.302 ( -0.530 1.141 -30.519) 30.545 15.501 ( 0.438 -5.595 32.944) 33.418 15.940 ( 0.472 -0.741 3.964) 4.060 16.004 ( -1.101 -0.901 -10.899) 10.992 16.094 ( 1.868 -2.568 -17.161) 17.453 18.940 ( -0.176 -0.648 1.957) 2.069 18.991 ( 0.916 0.334 -3.365) 3.504 ======================= Grid point 291 (95/105) ======================= q-point: (-0.25 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.515 ( -4.477 -1.139 6.955) 8.349 0.703 ( -3.531 1.603 -10.748) 11.426 1.220 ( -0.797 -0.695 7.174) 7.251 1.385 ( 1.179 -3.804 -9.515) 10.315 1.538 ( -1.678 -1.102 3.506) 4.040 1.609 ( -0.910 -0.253 -3.541) 3.665 1.977 ( 1.218 -0.419 0.684) 1.458 2.002 ( 0.371 -0.686 -1.806) 1.967 2.104 ( -3.130 -7.747 3.006) 8.880 2.157 ( -0.488 -7.117 -2.365) 7.516 2.459 ( 0.580 7.982 5.873) 9.927 2.575 ( 3.205 4.072 -4.921) 7.147 2.682 ( -2.649 -4.614 -0.545) 5.348 2.689 ( -0.360 -5.289 -0.952) 5.386 2.966 ( 2.522 -2.258 3.875) 5.146 3.044 ( 2.688 -1.603 -4.076) 5.139 4.331 ( -0.467 -4.981 3.875) 6.328 4.401 ( -0.649 -4.006 -4.146) 5.802 4.960 ( 0.585 -1.834 6.632) 6.906 5.051 ( 0.862 -0.496 -2.806) 2.977 5.532 ( 0.191 -0.597 42.250) 42.255 5.845 ( -0.383 4.876 26.153) 26.607 6.310 ( 0.008 -0.398 -38.407) 38.410 6.348 ( -0.711 4.994 -25.589) 26.081 8.603 ( 0.463 -1.278 21.846) 21.888 8.989 ( 1.289 1.184 -18.461) 18.544 12.437 ( -1.218 2.820 23.091) 23.294 12.784 ( -1.015 2.415 -7.869) 8.293 13.672 ( -1.990 3.624 25.861) 26.190 14.274 ( -0.677 1.249 -31.789) 31.820 15.657 ( 1.632 -11.264 28.617) 30.797 15.956 ( 0.586 -0.491 6.085) 6.133 16.011 ( -0.119 -0.630 -7.164) 7.192 16.188 ( 1.951 -6.155 -19.576) 20.613 18.928 ( 0.027 2.029 1.251) 2.383 18.970 ( 0.557 3.322 -3.143) 4.606 ======================= Grid point 292 (96/105) ======================= q-point: (-0.12 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.518 ( -0.000 -1.451 5.913) 6.088 0.679 ( -0.000 -2.080 -9.847) 10.064 1.273 ( -0.000 -5.413 11.147) 12.392 1.481 ( -0.000 -5.643 -10.400) 11.832 1.497 ( 0.000 3.290 3.312) 4.668 1.579 ( 0.000 2.163 -4.499) 4.992 2.062 ( -0.000 -8.115 1.217) 8.206 2.082 ( -0.000 -7.513 -0.802) 7.556 2.223 ( -0.000 -8.654 7.212) 11.265 2.273 ( -0.000 -3.597 1.098) 3.761 2.325 ( 0.000 5.959 2.063) 6.306 2.475 ( 0.000 6.311 -9.001) 10.993 2.764 ( -0.000 -4.571 0.789) 4.639 2.777 ( -0.000 -4.457 -0.577) 4.495 3.009 ( -0.000 -1.507 4.197) 4.460 3.086 ( -0.000 -1.638 -3.957) 4.283 4.435 ( -0.000 -7.806 3.303) 8.476 4.499 ( -0.000 -8.247 -3.325) 8.892 4.987 ( -0.000 -0.902 5.359) 5.434 5.056 ( 0.000 0.636 -1.698) 1.814 5.545 ( -0.000 -0.754 41.878) 41.885 5.734 ( 0.000 8.133 25.389) 26.659 6.227 ( 0.000 9.111 -25.148) 26.747 6.319 ( -0.000 -0.568 -38.377) 38.381 8.636 ( -0.000 -2.367 18.509) 18.660 8.963 ( 0.000 2.883 -15.733) 15.995 12.386 ( 0.000 2.304 22.282) 22.401 12.738 ( 0.000 2.246 -10.303) 10.545 13.608 ( 0.000 2.546 30.319) 30.426 14.252 ( 0.000 0.946 -32.720) 32.733 15.849 ( -0.000 -8.397 15.527) 17.653 15.974 ( -0.000 -1.275 4.245) 4.432 16.040 ( -0.000 -4.968 2.637) 5.625 16.316 ( -0.000 -7.289 -16.262) 17.820 18.869 ( 0.000 5.508 0.810) 5.568 18.904 ( 0.000 4.417 -2.649) 5.150 ======================= Grid point 295 (97/105) ======================= q-point: ( 0.25 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( 10.274 -0.000 -1.933) 10.454 0.996 ( 7.084 -0.000 -2.908) 7.657 1.439 ( -0.700 0.000 5.541) 5.585 1.471 ( 2.108 -0.000 4.272) 4.764 1.618 ( -1.277 0.000 1.753) 2.169 1.692 ( 2.806 -0.000 -3.798) 4.722 2.052 ( 0.225 -0.000 -1.004) 1.029 2.057 ( -0.529 0.000 -1.985) 2.054 2.198 ( -4.407 0.000 0.572) 4.444 2.216 ( -5.405 0.000 -1.248) 5.547 2.523 ( 1.736 -0.000 1.752) 2.466 2.543 ( -6.257 0.000 0.702) 6.296 2.603 ( 3.260 -0.000 3.375) 4.692 2.677 ( -2.841 0.000 -3.617) 4.600 3.062 ( -1.585 0.000 0.216) 1.600 3.069 ( -1.167 0.000 -0.872) 1.457 4.736 ( 2.586 -0.000 2.191) 3.390 4.762 ( 0.822 -0.000 2.670) 2.794 4.923 ( -2.294 0.000 1.551) 2.769 4.941 ( -2.890 0.000 -0.411) 2.919 5.528 ( -0.036 0.000 18.781) 18.781 5.555 ( -0.018 0.000 39.951) 39.951 5.921 ( -2.661 0.000 -21.244) 21.410 6.320 ( -0.339 0.000 -37.868) 37.869 8.615 ( -1.996 0.000 15.646) 15.773 8.874 ( 0.672 -0.000 -11.443) 11.463 12.513 ( 4.959 -0.000 23.683) 24.197 12.831 ( 3.340 -0.000 -3.062) 4.531 13.789 ( 7.461 -0.000 18.687) 20.121 14.312 ( 2.304 -0.000 -29.768) 29.857 15.815 ( -16.050 0.000 21.134) 26.538 15.907 ( -0.079 0.000 4.841) 4.842 16.005 ( 0.836 -0.000 -5.254) 5.320 16.167 ( -8.871 0.000 -15.324) 17.707 18.750 ( 1.206 -0.000 5.246) 5.383 18.851 ( 1.343 -0.000 -5.302) 5.469 ======================= Grid point 296 (98/105) ======================= q-point: ( 0.38 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( 7.712 3.143 1.396) 8.444 1.093 ( 6.342 0.716 -3.661) 7.358 1.371 ( 0.474 5.817 8.262) 10.116 1.484 ( 1.399 1.933 -1.330) 2.732 1.581 ( -3.938 0.754 0.746) 4.078 1.643 ( -5.394 3.455 -5.568) 8.487 2.038 ( -4.086 2.721 6.027) 7.773 2.110 ( 2.726 -0.140 2.580) 3.756 2.149 ( 2.416 -5.471 -2.464) 6.469 2.188 ( -2.161 0.877 -7.570) 7.921 2.402 ( -3.342 4.765 5.906) 8.291 2.517 ( -0.930 3.267 -5.628) 6.573 2.672 ( 1.954 -3.396 2.880) 4.862 2.721 ( 1.398 -4.612 -1.814) 5.149 2.997 ( -2.354 4.967 1.240) 5.635 3.022 ( -1.994 3.187 -1.295) 3.976 4.639 ( 0.364 10.568 5.416) 11.881 4.714 ( 0.787 8.345 -2.552) 8.762 4.890 ( -2.068 0.160 2.957) 3.612 4.935 ( -1.817 -2.099 -1.792) 3.304 5.549 ( 0.142 0.479 41.776) 41.779 5.597 ( -0.157 -7.440 18.806) 20.225 6.001 ( -2.186 -11.359 -21.270) 24.211 6.315 ( -0.252 0.128 -37.734) 37.735 8.593 ( -0.890 0.482 18.099) 18.128 8.895 ( 0.951 -1.292 -13.456) 13.551 12.558 ( 3.705 0.693 24.154) 24.446 12.861 ( 2.320 0.234 -0.540) 2.393 13.860 ( 5.835 0.984 14.034) 15.231 14.333 ( 1.653 0.254 -28.645) 28.694 15.611 ( -12.492 3.781 27.294) 30.254 15.911 ( -0.234 -0.471 4.734) 4.763 16.016 ( 0.409 -0.131 -5.672) 5.688 16.067 ( -6.469 0.753 -19.255) 20.326 18.790 ( 0.746 -3.122 4.739) 5.724 18.884 ( 1.168 -2.054 -4.994) 5.525 ======================= Grid point 297 (99/105) ======================= q-point: ( 0.50 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( 6.283 8.836 1.598) 10.959 1.046 ( 1.214 10.053 1.428) 10.226 1.339 ( 2.473 -0.193 2.448) 3.485 1.417 ( -2.719 4.780 -4.162) 6.897 1.526 ( -5.224 2.230 -1.928) 5.998 1.535 ( -1.181 0.687 -2.107) 2.511 1.923 ( -3.723 2.911 8.009) 9.299 2.093 ( -2.390 3.942 -8.567) 9.728 2.214 ( -2.135 -5.767 3.361) 7.008 2.283 ( 1.178 -7.447 -3.561) 8.338 2.326 ( 5.175 5.966 4.044) 8.873 2.433 ( 1.847 7.773 -6.318) 10.186 2.739 ( 0.489 -2.919 3.355) 4.474 2.813 ( -0.677 -3.599 -4.183) 5.560 2.884 ( -0.152 4.477 4.201) 6.141 2.943 ( -0.676 3.607 -1.890) 4.128 4.462 ( -0.397 10.025 5.774) 11.576 4.556 ( 0.085 9.911 -4.922) 11.066 4.878 ( -1.378 -0.951 5.459) 5.710 4.961 ( -0.678 -2.647 -3.326) 4.304 5.541 ( 0.246 0.699 42.019) 42.025 5.732 ( -0.417 -8.522 22.184) 23.768 6.176 ( -1.802 -11.605 -22.814) 25.660 6.310 ( -0.142 0.197 -37.832) 37.833 8.582 ( -0.077 0.241 20.681) 20.682 8.933 ( 1.100 -1.844 -15.961) 16.105 12.568 ( 1.783 1.939 24.374) 24.515 12.872 ( 1.123 0.921 -0.148) 1.460 13.874 ( 2.473 3.181 12.670) 13.295 14.337 ( 0.661 0.863 -28.545) 28.566 15.455 ( -6.247 1.661 32.412) 33.050 15.915 ( -0.556 -0.571 1.761) 1.933 15.986 ( -2.910 0.129 -14.665) 14.951 16.048 ( 0.473 -0.966 -10.837) 10.890 18.853 ( 0.114 -3.784 4.005) 5.510 18.936 ( 0.831 -2.745 -4.570) 5.396 ======================= Grid point 298 (100/105) ======================= q-point: (-0.38 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( -0.152 16.033 5.497) 16.950 0.925 ( 2.102 10.656 -4.923) 11.925 1.302 ( -3.059 3.965 0.839) 5.078 1.367 ( -0.167 1.160 -5.781) 5.899 1.467 ( -0.685 -0.674 3.869) 3.986 1.549 ( 1.181 -1.348 -4.532) 4.874 1.888 ( -2.547 -3.124 5.309) 6.666 2.022 ( -1.605 0.929 -8.297) 8.502 2.174 ( -0.492 7.440 4.382) 8.649 2.270 ( -0.484 10.468 -5.540) 11.853 2.381 ( 1.951 -6.536 2.091) 7.135 2.438 ( 2.503 -6.441 -3.557) 7.772 2.717 ( -1.401 5.372 4.298) 7.021 2.780 ( -0.980 2.179 -1.011) 2.594 2.893 ( 1.586 -1.177 2.009) 2.817 2.961 ( 1.795 -3.783 -3.615) 5.532 4.330 ( -0.345 5.378 5.622) 7.788 4.426 ( -0.209 5.643 -5.388) 7.805 4.890 ( -0.500 -1.905 7.369) 7.628 5.000 ( 0.035 -2.451 -4.099) 4.776 5.532 ( 0.179 0.592 42.307) 42.312 5.841 ( -0.392 -5.099 24.396) 24.926 6.306 ( -0.059 0.077 -38.067) 38.067 6.314 ( -1.108 -7.055 -24.354) 25.379 8.582 ( 0.179 -0.190 22.659) 22.661 8.975 ( 0.913 -1.712 -18.257) 18.360 12.537 ( 0.260 3.042 24.197) 24.389 12.856 ( 0.173 1.816 -2.145) 2.816 13.818 ( -0.061 4.925 15.989) 16.731 14.321 ( -0.036 1.448 -29.564) 29.600 15.425 ( -1.382 -2.943 33.898) 34.054 15.923 ( -0.218 -1.295 -1.949) 2.350 15.976 ( -0.789 -1.008 -10.819) 10.894 16.075 ( 0.624 -1.553 -12.062) 12.178 18.909 ( -0.062 -2.808 3.438) 4.439 18.984 ( 0.509 -1.989 -4.429) 4.881 ======================= Grid point 299 (101/105) ======================= q-point: (-0.25 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( 0.000 11.404 8.205) 14.049 0.773 ( 0.000 8.294 -10.802) 13.619 1.228 ( 0.000 2.539 3.910) 4.662 1.351 ( -0.000 -0.615 -8.664) 8.686 1.497 ( -0.000 -2.440 5.179) 5.725 1.585 ( -0.000 -1.974 -4.051) 4.507 1.960 ( -0.000 -6.857 3.071) 7.513 2.042 ( 0.000 6.826 1.474) 6.983 2.046 ( -0.000 -4.630 -5.381) 7.099 2.090 ( 0.000 9.509 -3.645) 10.184 2.524 ( -0.000 -8.831 2.280) 9.121 2.572 ( -0.000 -7.678 -2.642) 8.120 2.598 ( 0.000 7.734 6.040) 9.813 2.707 ( 0.000 5.665 -4.736) 7.384 2.941 ( -0.000 -2.617 4.100) 4.864 3.028 ( -0.000 -2.586 -4.461) 5.156 4.285 ( -0.000 -0.148 4.893) 4.896 4.373 ( 0.000 0.806 -5.036) 5.100 4.925 ( -0.000 -2.492 7.743) 8.134 5.036 ( -0.000 -1.777 -3.781) 4.178 5.528 ( 0.000 0.032 42.417) 42.417 5.882 ( -0.000 -0.129 25.775) 25.775 6.306 ( -0.000 -0.128 -38.490) 38.490 6.376 ( -0.000 -1.122 -25.200) 25.225 8.590 ( -0.000 -0.656 23.341) 23.351 9.001 ( -0.000 -0.631 -19.485) 19.495 12.484 ( 0.000 3.424 23.658) 23.905 12.821 ( 0.000 2.504 -5.388) 5.941 13.732 ( 0.000 4.944 21.625) 22.183 14.295 ( 0.000 1.590 -30.904) 30.945 15.507 ( -0.000 -7.700 32.496) 33.396 15.946 ( -0.000 -1.196 3.961) 4.138 15.992 ( -0.000 -1.376 -10.979) 11.065 16.117 ( -0.000 -3.453 -16.734) 17.087 18.938 ( -0.000 -0.736 2.627) 2.728 19.003 ( 0.000 0.259 -4.181) 4.189 ======================= Grid point 304 (102/105) ======================= q-point: ( 0.38 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( 5.537 -0.000 2.478) 6.066 1.178 ( 7.848 -0.000 -2.158) 8.140 1.425 ( -0.485 0.000 8.262) 8.277 1.479 ( -5.242 0.000 5.843) 7.850 1.567 ( 1.499 -0.000 -5.451) 5.654 1.592 ( -9.602 0.000 -5.332) 10.983 2.045 ( -0.875 0.000 -0.503) 1.009 2.077 ( 0.490 -0.000 -2.743) 2.786 2.132 ( -2.832 0.000 3.537) 4.531 2.202 ( -0.095 0.000 -3.504) 3.505 2.440 ( 3.039 -0.000 4.749) 5.638 2.523 ( 1.886 -0.000 -3.427) 3.911 2.675 ( -0.134 0.000 -0.161) 0.210 2.688 ( 1.407 -0.000 -0.723) 1.582 3.008 ( -3.832 0.000 0.883) 3.932 3.023 ( -1.665 0.000 -0.330) 1.697 4.763 ( -0.549 0.000 5.185) 5.214 4.776 ( 0.993 -0.000 0.584) 1.152 4.882 ( -1.200 0.000 0.675) 1.377 4.887 ( -1.722 0.000 -0.040) 1.722 5.532 ( 0.264 -0.000 14.572) 14.575 5.556 ( 0.033 -0.000 40.375) 40.375 5.868 ( -1.828 0.000 -18.921) 19.009 6.313 ( -0.195 0.000 -37.532) 37.532 8.589 ( -0.412 0.000 18.579) 18.584 8.896 ( 1.075 -0.000 -13.519) 13.561 12.602 ( 2.777 -0.000 24.407) 24.564 12.887 ( 1.643 -0.000 1.979) 2.572 13.930 ( 4.617 -0.000 9.475) 10.540 14.352 ( 1.151 -0.000 -27.451) 27.475 15.505 ( -10.452 0.000 29.871) 31.647 15.904 ( -0.404 0.000 3.628) 3.651 16.002 ( -5.113 0.000 -19.211) 19.880 16.025 ( 0.781 -0.000 -6.297) 6.345 18.775 ( 0.917 -0.000 5.397) 5.474 18.879 ( 1.027 -0.000 -5.473) 5.568 ======================= Grid point 305 (103/105) ======================= q-point: ( 0.50 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( 3.123 3.627 5.518) 7.305 1.231 ( 6.661 5.122 -0.639) 8.427 1.379 ( -0.005 2.056 4.394) 4.851 1.421 ( -5.762 1.477 0.922) 6.019 1.469 ( -6.691 0.368 -0.921) 6.764 1.571 ( 1.768 2.127 -7.384) 7.885 1.974 ( -1.461 6.357 6.828) 9.443 2.105 ( -1.328 -2.305 2.175) 3.436 2.132 ( -1.289 -0.194 -7.210) 7.326 2.174 ( -1.811 -3.314 -3.398) 5.080 2.490 ( 8.013 3.487 2.430) 9.070 2.559 ( 4.362 2.738 -4.333) 6.730 2.675 ( -1.972 -3.307 1.686) 4.203 2.717 ( -2.969 -4.139 -2.535) 5.689 2.943 ( -1.737 3.048 3.402) 4.887 2.984 ( -0.858 2.559 -0.898) 2.844 4.637 ( -0.238 10.909 6.464) 12.683 4.722 ( 0.095 8.653 -3.407) 9.301 4.858 ( -0.778 0.168 3.181) 3.279 4.909 ( -0.545 -2.717 -2.155) 3.511 5.552 ( 0.133 0.394 41.677) 41.679 5.594 ( -0.045 -6.982 16.813) 18.205 5.962 ( -1.014 -11.423 -19.828) 22.905 6.311 ( -0.091 0.085 -37.527) 37.527 8.585 ( -0.040 0.205 19.928) 19.929 8.917 ( 0.680 -1.244 -14.760) 14.828 12.614 ( 1.253 1.381 24.545) 24.615 12.896 ( 0.745 0.586 2.563) 2.733 13.949 ( 2.001 2.473 7.885) 8.502 14.356 ( 0.463 0.586 -27.235) 27.245 15.408 ( -4.846 0.638 33.074) 33.433 15.900 ( -0.748 -0.307 -2.054) 2.207 15.960 ( -1.783 0.033 -14.235) 14.346 16.039 ( 0.395 -0.750 -7.677) 7.724 18.804 ( 0.372 -2.449 5.127) 5.694 18.904 ( 0.534 -1.869 -5.329) 5.672 ======================= Grid point 306 (104/105) ======================= q-point: (-0.38 -0.62 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( 0.000 11.701 5.597) 12.970 1.124 ( 0.000 11.465 -1.035) 11.511 1.339 ( 0.000 2.708 0.530) 2.759 1.385 ( 0.000 0.319 -4.108) 4.120 1.445 ( -0.000 -0.948 4.232) 4.336 1.552 ( 0.000 0.893 -6.422) 6.484 1.872 ( 0.000 3.354 7.886) 8.570 2.055 ( 0.000 4.188 -10.741) 11.529 2.177 ( -0.000 -5.004 5.734) 7.610 2.271 ( -0.000 -6.552 -3.791) 7.569 2.432 ( 0.000 7.539 0.756) 7.577 2.491 ( 0.000 7.998 -5.027) 9.447 2.729 ( -0.000 -3.029 2.086) 3.678 2.777 ( -0.000 -3.235 -2.635) 4.172 2.892 ( 0.000 1.312 3.753) 3.976 2.942 ( 0.000 1.318 -0.984) 1.645 4.456 ( 0.000 10.140 6.196) 11.883 4.556 ( 0.000 10.112 -5.258) 11.397 4.861 ( -0.000 -1.119 5.904) 6.009 4.954 ( -0.000 -3.027 -3.770) 4.835 5.544 ( 0.000 0.677 41.959) 41.964 5.726 ( -0.000 -8.307 21.456) 23.008 6.153 ( -0.000 -11.554 -22.182) 25.011 6.309 ( 0.000 0.172 -37.822) 37.822 8.582 ( 0.000 0.078 21.538) 21.538 8.948 ( -0.000 -1.976 -16.637) 16.754 12.587 ( 0.000 2.621 24.483) 24.623 12.884 ( 0.000 1.303 0.875) 1.569 13.899 ( 0.000 4.616 10.780) 11.727 14.344 ( 0.000 1.210 -28.199) 28.225 15.384 ( -0.000 -0.814 34.200) 34.209 15.903 ( -0.000 -0.802 -6.893) 6.940 15.958 ( -0.000 -0.655 -8.697) 8.722 16.057 ( -0.000 -1.160 -9.306) 9.378 18.855 ( -0.000 -3.446 4.471) 5.645 18.946 ( -0.000 -2.708 -4.989) 5.676 ======================= Grid point 315 (105/105) ======================= q-point: (-0.50 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 97 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( -0.000 0.000 8.507) 8.507 1.351 ( 0.000 -0.000 -1.533) 1.533 1.371 ( 0.000 -0.000 -0.443) 0.443 1.375 ( -0.000 0.000 -1.083) 1.083 1.428 ( 0.000 -0.000 6.666) 6.666 1.605 ( 0.000 -0.000 -8.335) 8.335 2.041 ( -0.000 0.000 4.906) 4.906 2.075 ( 0.000 -0.000 0.674) 0.674 2.101 ( 0.000 -0.000 -1.429) 1.429 2.149 ( -0.000 0.000 -5.584) 5.584 2.592 ( -0.000 0.000 0.690) 0.690 2.605 ( 0.000 -0.000 1.223) 1.223 2.629 ( 0.000 -0.000 -2.967) 2.967 2.641 ( 0.000 -0.000 -2.411) 2.411 2.952 ( -0.000 0.000 4.067) 4.067 3.002 ( 0.000 -0.000 -1.242) 1.242 4.753 ( 0.000 -0.000 6.133) 6.133 4.786 ( 0.000 -0.000 -0.285) 0.285 4.868 ( 0.000 -0.000 0.223) 0.223 4.869 ( 0.000 -0.000 0.349) 0.349 5.536 ( 0.000 -0.000 11.910) 11.910 5.556 ( 0.000 -0.000 41.553) 41.553 5.847 ( 0.000 -0.000 -17.847) 17.847 6.311 ( 0.000 -0.000 -37.379) 37.379 8.586 ( 0.000 -0.000 19.599) 19.599 8.910 ( 0.000 -0.000 -14.249) 14.249 12.633 ( 0.000 -0.000 24.600) 24.600 12.905 ( 0.000 -0.000 3.678) 3.678 13.983 ( 0.000 -0.000 5.669) 5.669 14.364 ( 0.000 -0.000 -26.619) 26.619 15.384 ( 0.000 -0.000 33.769) 33.769 15.892 ( 0.000 -0.000 -4.503) 4.503 15.950 ( 0.000 -0.000 -12.976) 12.976 16.035 ( 0.000 -0.000 -6.771) 6.771 18.786 ( 0.000 -0.000 5.463) 5.463 18.891 ( 0.000 -0.000 -5.549) 5.549 =================== 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 3/20736 10.0 33.610 33.168 26.244 0.000 0.000 -0.000 3/20736 20.0 6.273 7.021 6.664 0.000 0.000 -0.000 3/20736 30.0 2.954 3.513 3.663 0.000 0.000 -0.000 3/20736 40.0 1.924 2.392 2.834 0.000 0.000 -0.000 3/20736 50.0 1.443 1.868 2.638 0.000 0.000 -0.000 3/20736 60.0 1.166 1.568 2.671 0.000 0.000 -0.000 3/20736 70.0 0.986 1.373 2.771 0.000 0.000 -0.000 3/20736 80.0 0.860 1.233 2.869 0.000 0.000 -0.000 3/20736 90.0 0.766 1.127 2.941 0.000 0.000 -0.000 3/20736 100.0 0.694 1.042 2.983 0.000 0.000 -0.000 3/20736 110.0 0.636 0.973 2.998 0.000 0.000 -0.000 3/20736 120.0 0.589 0.915 2.991 0.000 0.000 -0.000 3/20736 130.0 0.550 0.865 2.968 0.000 0.000 -0.000 3/20736 140.0 0.518 0.822 2.932 0.000 0.000 -0.000 3/20736 150.0 0.490 0.785 2.888 0.000 0.000 -0.000 3/20736 160.0 0.465 0.752 2.837 0.000 0.000 -0.000 3/20736 170.0 0.444 0.722 2.781 0.000 0.000 -0.000 3/20736 180.0 0.425 0.695 2.723 0.000 0.000 -0.000 3/20736 190.0 0.408 0.671 2.663 0.000 0.000 -0.000 3/20736 200.0 0.392 0.649 2.603 0.000 0.000 -0.000 3/20736 210.0 0.378 0.628 2.543 0.000 0.000 -0.000 3/20736 220.0 0.365 0.609 2.483 0.000 0.000 -0.000 3/20736 230.0 0.353 0.592 2.424 0.000 0.000 -0.000 3/20736 240.0 0.342 0.575 2.367 0.000 0.000 -0.000 3/20736 250.0 0.332 0.559 2.310 0.000 0.000 -0.000 3/20736 260.0 0.322 0.545 2.256 0.000 0.000 -0.000 3/20736 270.0 0.313 0.531 2.202 0.000 0.000 -0.000 3/20736 280.0 0.305 0.518 2.151 0.000 0.000 -0.000 3/20736 290.0 0.297 0.505 2.101 0.000 0.000 -0.000 3/20736 300.0 0.289 0.493 2.053 0.000 0.000 -0.000 3/20736 310.0 0.282 0.482 2.006 0.000 0.000 -0.000 3/20736 320.0 0.275 0.471 1.962 0.000 0.000 -0.000 3/20736 330.0 0.269 0.461 1.918 0.000 0.000 -0.000 3/20736 340.0 0.262 0.451 1.876 0.000 0.000 -0.000 3/20736 350.0 0.257 0.441 1.836 0.000 0.000 -0.000 3/20736 360.0 0.251 0.432 1.797 0.000 0.000 -0.000 3/20736 370.0 0.245 0.423 1.760 0.000 0.000 -0.000 3/20736 380.0 0.240 0.415 1.723 0.000 0.000 -0.000 3/20736 390.0 0.235 0.407 1.688 0.000 0.000 -0.000 3/20736 400.0 0.230 0.399 1.655 0.000 0.000 -0.000 3/20736 410.0 0.226 0.391 1.622 0.000 0.000 -0.000 3/20736 420.0 0.221 0.384 1.591 0.000 0.000 -0.000 3/20736 430.0 0.217 0.377 1.560 0.000 0.000 -0.000 3/20736 440.0 0.213 0.370 1.531 0.000 0.000 -0.000 3/20736 450.0 0.209 0.364 1.503 0.000 0.000 -0.000 3/20736 460.0 0.205 0.357 1.475 0.000 0.000 -0.000 3/20736 470.0 0.202 0.351 1.449 0.000 0.000 -0.000 3/20736 480.0 0.198 0.345 1.423 0.000 0.000 -0.000 3/20736 490.0 0.195 0.339 1.398 0.000 0.000 -0.000 3/20736 500.0 0.191 0.334 1.374 0.000 0.000 -0.000 3/20736 510.0 0.188 0.328 1.351 0.000 0.000 -0.000 3/20736 520.0 0.185 0.323 1.329 0.000 0.000 -0.000 3/20736 530.0 0.182 0.318 1.307 0.000 0.000 -0.000 3/20736 540.0 0.179 0.313 1.285 0.000 0.000 -0.000 3/20736 550.0 0.176 0.308 1.265 0.000 0.000 -0.000 3/20736 560.0 0.173 0.304 1.245 0.000 0.000 -0.000 3/20736 570.0 0.171 0.299 1.226 0.000 0.000 -0.000 3/20736 580.0 0.168 0.295 1.207 0.000 0.000 -0.000 3/20736 590.0 0.166 0.291 1.189 0.000 0.000 -0.000 3/20736 600.0 0.163 0.287 1.171 0.000 0.000 -0.000 3/20736 610.0 0.161 0.283 1.154 0.000 0.000 -0.000 3/20736 620.0 0.158 0.279 1.137 0.000 0.000 -0.000 3/20736 630.0 0.156 0.275 1.121 0.000 0.000 -0.000 3/20736 640.0 0.154 0.271 1.105 0.000 0.000 -0.000 3/20736 650.0 0.152 0.267 1.089 0.000 0.000 -0.000 3/20736 660.0 0.150 0.264 1.074 0.000 0.000 -0.000 3/20736 670.0 0.148 0.260 1.060 0.000 0.000 -0.000 3/20736 680.0 0.146 0.257 1.046 0.000 0.000 -0.000 3/20736 690.0 0.144 0.254 1.032 0.000 0.000 -0.000 3/20736 700.0 0.142 0.251 1.018 0.000 0.000 -0.000 3/20736 710.0 0.140 0.248 1.005 0.000 0.000 -0.000 3/20736 720.0 0.139 0.244 0.992 0.000 0.000 -0.000 3/20736 730.0 0.137 0.242 0.980 0.000 0.000 -0.000 3/20736 740.0 0.135 0.239 0.967 0.000 0.000 -0.000 3/20736 750.0 0.133 0.236 0.955 0.000 0.000 -0.000 3/20736 760.0 0.132 0.233 0.944 0.000 0.000 -0.000 3/20736 770.0 0.130 0.230 0.932 0.000 0.000 -0.000 3/20736 780.0 0.129 0.228 0.921 0.000 0.000 -0.000 3/20736 790.0 0.127 0.225 0.910 0.000 0.000 -0.000 3/20736 800.0 0.126 0.223 0.900 0.000 0.000 -0.000 3/20736 810.0 0.124 0.220 0.889 0.000 0.000 -0.000 3/20736 820.0 0.123 0.218 0.879 0.000 0.000 -0.000 3/20736 830.0 0.122 0.215 0.869 0.000 0.000 -0.000 3/20736 840.0 0.120 0.213 0.860 0.000 0.000 -0.000 3/20736 850.0 0.119 0.211 0.850 0.000 0.000 -0.000 3/20736 860.0 0.118 0.208 0.841 0.000 0.000 -0.000 3/20736 870.0 0.116 0.206 0.832 0.000 0.000 -0.000 3/20736 880.0 0.115 0.204 0.823 0.000 0.000 -0.000 3/20736 890.0 0.114 0.202 0.814 0.000 0.000 -0.000 3/20736 900.0 0.113 0.200 0.806 0.000 0.000 -0.000 3/20736 910.0 0.112 0.198 0.797 0.000 0.000 -0.000 3/20736 920.0 0.110 0.196 0.789 0.000 0.000 -0.000 3/20736 930.0 0.109 0.194 0.781 0.000 0.000 -0.000 3/20736 940.0 0.108 0.192 0.773 0.000 0.000 -0.000 3/20736 950.0 0.107 0.190 0.765 0.000 0.000 -0.000 3/20736 960.0 0.106 0.189 0.758 0.000 0.000 -0.000 3/20736 970.0 0.105 0.187 0.750 0.000 0.000 -0.000 3/20736 980.0 0.104 0.185 0.743 0.000 0.000 -0.000 3/20736 990.0 0.103 0.183 0.736 0.000 0.000 -0.000 3/20736 1000.0 0.102 0.182 0.729 0.000 0.000 -0.000 3/20736 Thermal conductivity related properties were written into "kappa-m889.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 04:28:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|