----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:49:04]------------------------- 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: [2 2 2] Primitive matrix: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-31m (162) Number of symmetry operations in supercell: 96 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.894130300332919 0.000000000000000 0.000000000000000 b -2.447065150166460 4.238441169519472 0.000000000000000 c 0.000000000000000 0.000000000000000 5.009338830000000 Atomic positions (fractional): *1 O 0.37935316144687 0.37935316144687 0.70620536967636 15.999 2 O 0.62064683855313 0.00000000000000 0.70620536967636 15.999 3 O 0.00000000000000 0.62064683855313 0.70620536967636 15.999 4 O 0.37935316144687 0.00000000000000 0.29379463032364 15.999 5 O 0.00000000000000 0.37935316144687 0.29379463032364 15.999 6 O 0.62064683855313 0.62064683855313 0.29379463032364 15.999 *7 As 0.66666666666667 0.33333333333333 0.50000000000000 74.922 8 As 0.33333333333333 0.66666666666667 0.50000000000000 74.922 *9 Hg 0.00000000000000 0.00000000000000 0.00000000000000 200.590 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.894130300332919 0.000000000000000 0.000000000000000 b -2.447065150166460 4.238441169519472 0.000000000000000 c 0.000000000000000 0.000000000000000 5.009338830000000 Atomic positions (fractional): *1 O 0.37935316144687 0.37935316144687 0.70620536967636 15.999 > 1 2 O 0.62064683855313 0.00000000000000 0.70620536967636 15.999 > 2 3 O 0.00000000000000 0.62064683855313 0.70620536967636 15.999 > 3 4 O 0.37935316144687 0.00000000000000 0.29379463032364 15.999 > 4 5 O 0.00000000000000 0.37935316144687 0.29379463032364 15.999 > 5 6 O 0.62064683855313 0.62064683855313 0.29379463032364 15.999 > 6 *7 As 0.66666666666667 0.33333333333333 0.50000000000000 74.922 > 7 8 As 0.33333333333333 0.66666666666667 0.50000000000000 74.922 > 8 *9 Hg 0.00000000000000 0.00000000000000 0.00000000000000 200.590 > 9 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.788260600665838 0.000000000000000 0.000000000000000 b -4.894130300332920 8.476882339038944 0.000000000000000 c 0.000000000000000 0.000000000000000 10.018677660000000 Atomic positions (fractional): *1 O 0.18967658072343 0.18967658072343 0.35310268483818 15.999 > 1 2 O 0.68967658072343 0.18967658072343 0.35310268483818 15.999 > 1 3 O 0.18967658072343 0.68967658072343 0.35310268483818 15.999 > 1 4 O 0.68967658072343 0.68967658072343 0.35310268483818 15.999 > 1 5 O 0.18967658072343 0.18967658072343 0.85310268483818 15.999 > 1 6 O 0.68967658072343 0.18967658072343 0.85310268483818 15.999 > 1 7 O 0.18967658072343 0.68967658072343 0.85310268483818 15.999 > 1 8 O 0.68967658072343 0.68967658072343 0.85310268483818 15.999 > 1 9 O 0.31032341927656 0.00000000000000 0.35310268483818 15.999 > 2 10 O 0.81032341927656 0.00000000000000 0.35310268483818 15.999 > 2 11 O 0.31032341927656 0.50000000000000 0.35310268483818 15.999 > 2 12 O 0.81032341927656 0.50000000000000 0.35310268483818 15.999 > 2 13 O 0.31032341927656 0.00000000000000 0.85310268483818 15.999 > 2 14 O 0.81032341927656 0.00000000000000 0.85310268483818 15.999 > 2 15 O 0.31032341927656 0.50000000000000 0.85310268483818 15.999 > 2 16 O 0.81032341927656 0.50000000000000 0.85310268483818 15.999 > 2 17 O 0.00000000000000 0.31032341927656 0.35310268483818 15.999 > 3 18 O 0.50000000000000 0.31032341927656 0.35310268483818 15.999 > 3 19 O 0.00000000000000 0.81032341927656 0.35310268483818 15.999 > 3 20 O 0.50000000000000 0.81032341927656 0.35310268483818 15.999 > 3 21 O 0.00000000000000 0.31032341927656 0.85310268483818 15.999 > 3 22 O 0.50000000000000 0.31032341927656 0.85310268483818 15.999 > 3 23 O 0.00000000000000 0.81032341927656 0.85310268483818 15.999 > 3 24 O 0.50000000000000 0.81032341927656 0.85310268483818 15.999 > 3 25 O 0.18967658072343 0.00000000000000 0.14689731516182 15.999 > 4 26 O 0.68967658072343 0.00000000000000 0.14689731516182 15.999 > 4 27 O 0.18967658072343 0.50000000000000 0.14689731516182 15.999 > 4 28 O 0.68967658072343 0.50000000000000 0.14689731516182 15.999 > 4 29 O 0.18967658072343 0.00000000000000 0.64689731516182 15.999 > 4 30 O 0.68967658072343 0.00000000000000 0.64689731516182 15.999 > 4 31 O 0.18967658072343 0.50000000000000 0.64689731516182 15.999 > 4 32 O 0.68967658072343 0.50000000000000 0.64689731516182 15.999 > 4 33 O 0.00000000000000 0.18967658072343 0.14689731516182 15.999 > 5 34 O 0.50000000000000 0.18967658072343 0.14689731516182 15.999 > 5 35 O 0.00000000000000 0.68967658072343 0.14689731516182 15.999 > 5 36 O 0.50000000000000 0.68967658072343 0.14689731516182 15.999 > 5 37 O 0.00000000000000 0.18967658072343 0.64689731516182 15.999 > 5 38 O 0.50000000000000 0.18967658072343 0.64689731516182 15.999 > 5 39 O 0.00000000000000 0.68967658072343 0.64689731516182 15.999 > 5 40 O 0.50000000000000 0.68967658072343 0.64689731516182 15.999 > 5 41 O 0.31032341927656 0.31032341927656 0.14689731516182 15.999 > 6 42 O 0.81032341927656 0.31032341927656 0.14689731516182 15.999 > 6 43 O 0.31032341927656 0.81032341927656 0.14689731516182 15.999 > 6 44 O 0.81032341927656 0.81032341927656 0.14689731516182 15.999 > 6 45 O 0.31032341927656 0.31032341927656 0.64689731516182 15.999 > 6 46 O 0.81032341927656 0.31032341927656 0.64689731516182 15.999 > 6 47 O 0.31032341927656 0.81032341927656 0.64689731516182 15.999 > 6 48 O 0.81032341927656 0.81032341927656 0.64689731516182 15.999 > 6 *49 As 0.33333333333333 0.16666666666667 0.25000000000000 74.922 > 7 50 As 0.83333333333333 0.16666666666667 0.25000000000000 74.922 > 7 51 As 0.33333333333333 0.66666666666667 0.25000000000000 74.922 > 7 52 As 0.83333333333333 0.66666666666667 0.25000000000000 74.922 > 7 53 As 0.33333333333333 0.16666666666667 0.75000000000000 74.922 > 7 54 As 0.83333333333333 0.16666666666667 0.75000000000000 74.922 > 7 55 As 0.33333333333333 0.66666666666667 0.75000000000000 74.922 > 7 56 As 0.83333333333333 0.66666666666667 0.75000000000000 74.922 > 7 57 As 0.16666666666667 0.33333333333333 0.25000000000000 74.922 > 8 58 As 0.66666666666667 0.33333333333333 0.25000000000000 74.922 > 8 59 As 0.16666666666667 0.83333333333333 0.25000000000000 74.922 > 8 60 As 0.66666666666667 0.83333333333333 0.25000000000000 74.922 > 8 61 As 0.16666666666667 0.33333333333333 0.75000000000000 74.922 > 8 62 As 0.66666666666667 0.33333333333333 0.75000000000000 74.922 > 8 63 As 0.16666666666667 0.83333333333333 0.75000000000000 74.922 > 8 64 As 0.66666666666667 0.83333333333333 0.75000000000000 74.922 > 8 *65 Hg 0.00000000000000 0.00000000000000 0.00000000000000 200.590 > 9 66 Hg 0.50000000000000 0.00000000000000 0.00000000000000 200.590 > 9 67 Hg 0.00000000000000 0.50000000000000 0.00000000000000 200.590 > 9 68 Hg 0.50000000000000 0.50000000000000 0.00000000000000 200.590 > 9 69 Hg 0.00000000000000 0.00000000000000 0.50000000000000 200.590 > 9 70 Hg 0.50000000000000 0.00000000000000 0.50000000000000 200.590 > 9 71 Hg 0.00000000000000 0.50000000000000 0.50000000000000 200.590 > 9 72 Hg 0.50000000000000 0.50000000000000 0.50000000000000 200.590 > 9 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.0882511 0.0000000 0.0000000 -0.0000000 5.0882511 0.0000000 0.0000000 0.0000000 4.9040128 -------------------------- Born effective charges -------------------------- 1 O -2.2983053 0.3143848 0.3167850 0.3143848 -1.9352850 0.5486877 0.2716282 0.4704738 -1.6516453 2 O -1.7537748 0.0000000 -0.6335700 -0.0000000 -2.4798155 -0.0000000 -0.5432563 -0.0000000 -1.6516453 3 O -2.2983053 -0.3143848 0.3167850 -0.3143848 -1.9352850 -0.5486877 0.2716282 -0.4704738 -1.6516453 4 O -1.7537748 0.0000000 -0.6335700 -0.0000000 -2.4798155 -0.0000000 -0.5432563 -0.0000000 -1.6516453 5 O -2.2983053 -0.3143848 0.3167850 -0.3143848 -1.9352850 -0.5486877 0.2716282 -0.4704738 -1.6516453 6 O -2.2983053 0.3143848 0.3167850 0.3143848 -1.9352850 0.5486877 0.2716282 0.4704738 -1.6516453 7 As 4.9417070 0.0000000 -0.0000000 0.0000000 4.9417070 -0.0000000 0.0000000 0.0000000 3.2187046 8 As 4.9417070 0.0000000 -0.0000000 0.0000000 4.9417070 -0.0000000 0.0000000 0.0000000 3.2187046 9 Hg 2.8173570 0.0000000 -0.0000000 -0.0000000 2.8173570 -0.0000000 0.0000000 0.0000000 3.4724625 ---------------------------------------------------------------------------- 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: 216/216 Permutation basis: 3186/3186 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 298 Number of blocks in projector: 180 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 140 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 106 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 52 Use standard eigh solver. Tree of FC basis block matrices: - (298, 289), data: False |-- (52, 49), data: True |-- (106, 104), data: True |-- (140, 136), data: True ----- Solver_atoms: 1 -- 72 / 72 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 160 - Time: 0.129 Solver_block: 160 / 160 - Time: 0.095 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.229 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 216/216 Permutation basis: 3186/3186 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 298 Number of blocks in projector: 180 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 140 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 106 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 52 Use standard eigh solver. Tree of FC basis block matrices: - (298, 289), data: False |-- (52, 49), data: True |-- (106, 104), data: True |-- (140, 136), 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 2026-01-07 19:49:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:49:09]------------------------- 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): [2 2 2] Primitive matrix: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-31m (162) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.894130300332919 0.000000000000000 0.000000000000000 b -2.447065150166460 4.238441169519472 0.000000000000000 c 0.000000000000000 0.000000000000000 5.009338830000000 Atomic positions (fractional): 1 O 0.37935316144687 0.37935316144687 0.70620536967636 15.999 2 O 0.62064683855313 0.00000000000000 0.70620536967636 15.999 3 O 0.00000000000000 0.62064683855313 0.70620536967636 15.999 4 O 0.37935316144687 0.00000000000000 0.29379463032364 15.999 5 O 0.00000000000000 0.37935316144687 0.29379463032364 15.999 6 O 0.62064683855313 0.62064683855313 0.29379463032364 15.999 7 As 0.66666666666667 0.33333333333333 0.50000000000000 74.922 8 As 0.33333333333333 0.66666666666667 0.50000000000000 74.922 9 Hg 0.00000000000000 0.00000000000000 0.00000000000000 200.590 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.788260600665838 0.000000000000000 0.000000000000000 b -4.894130300332920 8.476882339038944 0.000000000000000 c 0.000000000000000 0.000000000000000 10.018677660000000 Atomic positions (fractional): 1 O 0.18967658072343 0.18967658072343 0.35310268483818 15.999 > 1 2 O 0.68967658072343 0.18967658072343 0.35310268483818 15.999 > 1 3 O 0.18967658072343 0.68967658072343 0.35310268483818 15.999 > 1 4 O 0.68967658072343 0.68967658072343 0.35310268483818 15.999 > 1 5 O 0.18967658072343 0.18967658072343 0.85310268483818 15.999 > 1 6 O 0.68967658072343 0.18967658072343 0.85310268483818 15.999 > 1 7 O 0.18967658072343 0.68967658072343 0.85310268483818 15.999 > 1 8 O 0.68967658072343 0.68967658072343 0.85310268483818 15.999 > 1 9 O 0.31032341927656 0.00000000000000 0.35310268483818 15.999 > 9 10 O 0.81032341927656 0.00000000000000 0.35310268483818 15.999 > 9 11 O 0.31032341927656 0.50000000000000 0.35310268483818 15.999 > 9 12 O 0.81032341927656 0.50000000000000 0.35310268483818 15.999 > 9 13 O 0.31032341927656 0.00000000000000 0.85310268483818 15.999 > 9 14 O 0.81032341927656 0.00000000000000 0.85310268483818 15.999 > 9 15 O 0.31032341927656 0.50000000000000 0.85310268483818 15.999 > 9 16 O 0.81032341927656 0.50000000000000 0.85310268483818 15.999 > 9 17 O 0.00000000000000 0.31032341927656 0.35310268483818 15.999 > 17 18 O 0.50000000000000 0.31032341927656 0.35310268483818 15.999 > 17 19 O 0.00000000000000 0.81032341927656 0.35310268483818 15.999 > 17 20 O 0.50000000000000 0.81032341927656 0.35310268483818 15.999 > 17 21 O 0.00000000000000 0.31032341927656 0.85310268483818 15.999 > 17 22 O 0.50000000000000 0.31032341927656 0.85310268483818 15.999 > 17 23 O 0.00000000000000 0.81032341927656 0.85310268483818 15.999 > 17 24 O 0.50000000000000 0.81032341927656 0.85310268483818 15.999 > 17 25 O 0.18967658072343 0.00000000000000 0.14689731516182 15.999 > 25 26 O 0.68967658072343 0.00000000000000 0.14689731516182 15.999 > 25 27 O 0.18967658072343 0.50000000000000 0.14689731516182 15.999 > 25 28 O 0.68967658072343 0.50000000000000 0.14689731516182 15.999 > 25 29 O 0.18967658072343 0.00000000000000 0.64689731516182 15.999 > 25 30 O 0.68967658072343 0.00000000000000 0.64689731516182 15.999 > 25 31 O 0.18967658072343 0.50000000000000 0.64689731516182 15.999 > 25 32 O 0.68967658072343 0.50000000000000 0.64689731516182 15.999 > 25 33 O 0.00000000000000 0.18967658072343 0.14689731516182 15.999 > 33 34 O 0.50000000000000 0.18967658072343 0.14689731516182 15.999 > 33 35 O 0.00000000000000 0.68967658072343 0.14689731516182 15.999 > 33 36 O 0.50000000000000 0.68967658072343 0.14689731516182 15.999 > 33 37 O 0.00000000000000 0.18967658072343 0.64689731516182 15.999 > 33 38 O 0.50000000000000 0.18967658072343 0.64689731516182 15.999 > 33 39 O 0.00000000000000 0.68967658072343 0.64689731516182 15.999 > 33 40 O 0.50000000000000 0.68967658072343 0.64689731516182 15.999 > 33 41 O 0.31032341927656 0.31032341927656 0.14689731516182 15.999 > 41 42 O 0.81032341927656 0.31032341927656 0.14689731516182 15.999 > 41 43 O 0.31032341927656 0.81032341927656 0.14689731516182 15.999 > 41 44 O 0.81032341927656 0.81032341927656 0.14689731516182 15.999 > 41 45 O 0.31032341927656 0.31032341927656 0.64689731516182 15.999 > 41 46 O 0.81032341927656 0.31032341927656 0.64689731516182 15.999 > 41 47 O 0.31032341927656 0.81032341927656 0.64689731516182 15.999 > 41 48 O 0.81032341927656 0.81032341927656 0.64689731516182 15.999 > 41 49 As 0.33333333333333 0.16666666666667 0.25000000000000 74.922 > 49 50 As 0.83333333333333 0.16666666666667 0.25000000000000 74.922 > 49 51 As 0.33333333333333 0.66666666666667 0.25000000000000 74.922 > 49 52 As 0.83333333333333 0.66666666666667 0.25000000000000 74.922 > 49 53 As 0.33333333333333 0.16666666666667 0.75000000000000 74.922 > 49 54 As 0.83333333333333 0.16666666666667 0.75000000000000 74.922 > 49 55 As 0.33333333333333 0.66666666666667 0.75000000000000 74.922 > 49 56 As 0.83333333333333 0.66666666666667 0.75000000000000 74.922 > 49 57 As 0.16666666666667 0.33333333333333 0.25000000000000 74.922 > 57 58 As 0.66666666666667 0.33333333333333 0.25000000000000 74.922 > 57 59 As 0.16666666666667 0.83333333333333 0.25000000000000 74.922 > 57 60 As 0.66666666666667 0.83333333333333 0.25000000000000 74.922 > 57 61 As 0.16666666666667 0.33333333333333 0.75000000000000 74.922 > 57 62 As 0.66666666666667 0.33333333333333 0.75000000000000 74.922 > 57 63 As 0.16666666666667 0.83333333333333 0.75000000000000 74.922 > 57 64 As 0.66666666666667 0.83333333333333 0.75000000000000 74.922 > 57 65 Hg 0.00000000000000 0.00000000000000 0.00000000000000 200.590 > 65 66 Hg 0.50000000000000 0.00000000000000 0.00000000000000 200.590 > 65 67 Hg 0.00000000000000 0.50000000000000 0.00000000000000 200.590 > 65 68 Hg 0.50000000000000 0.50000000000000 0.00000000000000 200.590 > 65 69 Hg 0.00000000000000 0.00000000000000 0.50000000000000 200.590 > 65 70 Hg 0.50000000000000 0.00000000000000 0.50000000000000 200.590 > 65 71 Hg 0.00000000000000 0.50000000000000 0.50000000000000 200.590 > 65 72 Hg 0.50000000000000 0.50000000000000 0.50000000000000 200.590 > 65 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.0882511 0.0000000 0.0000000 -0.0000000 5.0882511 0.0000000 0.0000000 0.0000000 4.9040128 -------------------------- Born effective charges -------------------------- 1 O -2.2983053 0.3143848 0.3167850 0.3143848 -1.9352850 0.5486877 0.2716282 0.4704738 -1.6516453 2 O -1.7537748 0.0000000 -0.6335700 -0.0000000 -2.4798155 -0.0000000 -0.5432563 -0.0000000 -1.6516453 3 O -2.2983053 -0.3143848 0.3167850 -0.3143848 -1.9352850 -0.5486877 0.2716282 -0.4704738 -1.6516453 4 O -1.7537748 0.0000000 -0.6335700 -0.0000000 -2.4798155 -0.0000000 -0.5432563 -0.0000000 -1.6516453 5 O -2.2983053 -0.3143848 0.3167850 -0.3143848 -1.9352850 -0.5486877 0.2716282 -0.4704738 -1.6516453 6 O -2.2983053 0.3143848 0.3167850 0.3143848 -1.9352850 0.5486877 0.2716282 0.4704738 -1.6516453 7 As 4.9417070 0.0000000 -0.0000000 0.0000000 4.9417070 -0.0000000 0.0000000 0.0000000 3.2187046 8 As 4.9417070 0.0000000 -0.0000000 0.0000000 4.9417070 -0.0000000 0.0000000 0.0000000 3.2187046 9 Hg 2.8173570 0.0000000 -0.0000000 -0.0000000 2.8173570 -0.0000000 0.0000000 0.0000000 3.4724625 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000048 (xxy) 0.00000048 (xxy) 0.00000048 (xyx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000149 (xz) -0.00000149 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:49:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:49:13]------------------------- 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): [2 2 2] Primitive matrix: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-31m (162) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.894130300332919 0.000000000000000 0.000000000000000 b -2.447065150166460 4.238441169519472 0.000000000000000 c 0.000000000000000 0.000000000000000 5.009338830000000 Atomic positions (fractional): 1 O 0.37935316144687 0.37935316144687 0.70620536967636 15.999 2 O 0.62064683855313 0.00000000000000 0.70620536967636 15.999 3 O 0.00000000000000 0.62064683855313 0.70620536967636 15.999 4 O 0.37935316144687 0.00000000000000 0.29379463032364 15.999 5 O 0.00000000000000 0.37935316144687 0.29379463032364 15.999 6 O 0.62064683855313 0.62064683855313 0.29379463032364 15.999 7 As 0.66666666666667 0.33333333333333 0.50000000000000 74.922 8 As 0.33333333333333 0.66666666666667 0.50000000000000 74.922 9 Hg 0.00000000000000 0.00000000000000 0.00000000000000 200.590 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.788260600665838 0.000000000000000 0.000000000000000 b -4.894130300332920 8.476882339038944 0.000000000000000 c 0.000000000000000 0.000000000000000 10.018677660000000 Atomic positions (fractional): 1 O 0.18967658072343 0.18967658072343 0.35310268483818 15.999 > 1 2 O 0.68967658072343 0.18967658072343 0.35310268483818 15.999 > 1 3 O 0.18967658072343 0.68967658072343 0.35310268483818 15.999 > 1 4 O 0.68967658072343 0.68967658072343 0.35310268483818 15.999 > 1 5 O 0.18967658072343 0.18967658072343 0.85310268483818 15.999 > 1 6 O 0.68967658072343 0.18967658072343 0.85310268483818 15.999 > 1 7 O 0.18967658072343 0.68967658072343 0.85310268483818 15.999 > 1 8 O 0.68967658072343 0.68967658072343 0.85310268483818 15.999 > 1 9 O 0.31032341927656 0.00000000000000 0.35310268483818 15.999 > 9 10 O 0.81032341927656 0.00000000000000 0.35310268483818 15.999 > 9 11 O 0.31032341927656 0.50000000000000 0.35310268483818 15.999 > 9 12 O 0.81032341927656 0.50000000000000 0.35310268483818 15.999 > 9 13 O 0.31032341927656 0.00000000000000 0.85310268483818 15.999 > 9 14 O 0.81032341927656 0.00000000000000 0.85310268483818 15.999 > 9 15 O 0.31032341927656 0.50000000000000 0.85310268483818 15.999 > 9 16 O 0.81032341927656 0.50000000000000 0.85310268483818 15.999 > 9 17 O 0.00000000000000 0.31032341927656 0.35310268483818 15.999 > 17 18 O 0.50000000000000 0.31032341927656 0.35310268483818 15.999 > 17 19 O 0.00000000000000 0.81032341927656 0.35310268483818 15.999 > 17 20 O 0.50000000000000 0.81032341927656 0.35310268483818 15.999 > 17 21 O 0.00000000000000 0.31032341927656 0.85310268483818 15.999 > 17 22 O 0.50000000000000 0.31032341927656 0.85310268483818 15.999 > 17 23 O 0.00000000000000 0.81032341927656 0.85310268483818 15.999 > 17 24 O 0.50000000000000 0.81032341927656 0.85310268483818 15.999 > 17 25 O 0.18967658072343 0.00000000000000 0.14689731516182 15.999 > 25 26 O 0.68967658072343 0.00000000000000 0.14689731516182 15.999 > 25 27 O 0.18967658072343 0.50000000000000 0.14689731516182 15.999 > 25 28 O 0.68967658072343 0.50000000000000 0.14689731516182 15.999 > 25 29 O 0.18967658072343 0.00000000000000 0.64689731516182 15.999 > 25 30 O 0.68967658072343 0.00000000000000 0.64689731516182 15.999 > 25 31 O 0.18967658072343 0.50000000000000 0.64689731516182 15.999 > 25 32 O 0.68967658072343 0.50000000000000 0.64689731516182 15.999 > 25 33 O 0.00000000000000 0.18967658072343 0.14689731516182 15.999 > 33 34 O 0.50000000000000 0.18967658072343 0.14689731516182 15.999 > 33 35 O 0.00000000000000 0.68967658072343 0.14689731516182 15.999 > 33 36 O 0.50000000000000 0.68967658072343 0.14689731516182 15.999 > 33 37 O 0.00000000000000 0.18967658072343 0.64689731516182 15.999 > 33 38 O 0.50000000000000 0.18967658072343 0.64689731516182 15.999 > 33 39 O 0.00000000000000 0.68967658072343 0.64689731516182 15.999 > 33 40 O 0.50000000000000 0.68967658072343 0.64689731516182 15.999 > 33 41 O 0.31032341927656 0.31032341927656 0.14689731516182 15.999 > 41 42 O 0.81032341927656 0.31032341927656 0.14689731516182 15.999 > 41 43 O 0.31032341927656 0.81032341927656 0.14689731516182 15.999 > 41 44 O 0.81032341927656 0.81032341927656 0.14689731516182 15.999 > 41 45 O 0.31032341927656 0.31032341927656 0.64689731516182 15.999 > 41 46 O 0.81032341927656 0.31032341927656 0.64689731516182 15.999 > 41 47 O 0.31032341927656 0.81032341927656 0.64689731516182 15.999 > 41 48 O 0.81032341927656 0.81032341927656 0.64689731516182 15.999 > 41 49 As 0.33333333333333 0.16666666666667 0.25000000000000 74.922 > 49 50 As 0.83333333333333 0.16666666666667 0.25000000000000 74.922 > 49 51 As 0.33333333333333 0.66666666666667 0.25000000000000 74.922 > 49 52 As 0.83333333333333 0.66666666666667 0.25000000000000 74.922 > 49 53 As 0.33333333333333 0.16666666666667 0.75000000000000 74.922 > 49 54 As 0.83333333333333 0.16666666666667 0.75000000000000 74.922 > 49 55 As 0.33333333333333 0.66666666666667 0.75000000000000 74.922 > 49 56 As 0.83333333333333 0.66666666666667 0.75000000000000 74.922 > 49 57 As 0.16666666666667 0.33333333333333 0.25000000000000 74.922 > 57 58 As 0.66666666666667 0.33333333333333 0.25000000000000 74.922 > 57 59 As 0.16666666666667 0.83333333333333 0.25000000000000 74.922 > 57 60 As 0.66666666666667 0.83333333333333 0.25000000000000 74.922 > 57 61 As 0.16666666666667 0.33333333333333 0.75000000000000 74.922 > 57 62 As 0.66666666666667 0.33333333333333 0.75000000000000 74.922 > 57 63 As 0.16666666666667 0.83333333333333 0.75000000000000 74.922 > 57 64 As 0.66666666666667 0.83333333333333 0.75000000000000 74.922 > 57 65 Hg 0.00000000000000 0.00000000000000 0.00000000000000 200.590 > 65 66 Hg 0.50000000000000 0.00000000000000 0.00000000000000 200.590 > 65 67 Hg 0.00000000000000 0.50000000000000 0.00000000000000 200.590 > 65 68 Hg 0.50000000000000 0.50000000000000 0.00000000000000 200.590 > 65 69 Hg 0.00000000000000 0.00000000000000 0.50000000000000 200.590 > 65 70 Hg 0.50000000000000 0.00000000000000 0.50000000000000 200.590 > 65 71 Hg 0.00000000000000 0.50000000000000 0.50000000000000 200.590 > 65 72 Hg 0.50000000000000 0.50000000000000 0.50000000000000 200.590 > 65 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.0882511 0.0000000 0.0000000 -0.0000000 5.0882511 0.0000000 0.0000000 0.0000000 4.9040128 -------------------------- Born effective charges -------------------------- 1 O -2.2983053 0.3143848 0.3167850 0.3143848 -1.9352850 0.5486877 0.2716282 0.4704738 -1.6516453 2 O -1.7537748 0.0000000 -0.6335700 -0.0000000 -2.4798155 -0.0000000 -0.5432563 -0.0000000 -1.6516453 3 O -2.2983053 -0.3143848 0.3167850 -0.3143848 -1.9352850 -0.5486877 0.2716282 -0.4704738 -1.6516453 4 O -1.7537748 0.0000000 -0.6335700 -0.0000000 -2.4798155 -0.0000000 -0.5432563 -0.0000000 -1.6516453 5 O -2.2983053 -0.3143848 0.3167850 -0.3143848 -1.9352850 -0.5486877 0.2716282 -0.4704738 -1.6516453 6 O -2.2983053 0.3143848 0.3167850 0.3143848 -1.9352850 0.5486877 0.2716282 0.4704738 -1.6516453 7 As 4.9417070 0.0000000 -0.0000000 0.0000000 4.9417070 -0.0000000 0.0000000 0.0000000 3.2187046 8 As 4.9417070 0.0000000 -0.0000000 0.0000000 4.9417070 -0.0000000 0.0000000 0.0000000 3.2187046 9 Hg 2.8173570 0.0000000 -0.0000000 -0.0000000 2.8173570 -0.0000000 0.0000000 0.0000000 3.4724625 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000048 (xxy) 0.00000048 (xxy) 0.00000048 (xyx) 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 ... [ 12 12 10 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.88, Number of G-points: 315, Lambda: 0.21 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/162) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.938 ( 0.000 0.000 0.000) 0.000 2.938 ( 0.000 0.000 0.000) 0.000 3.194 ( 0.000 0.000 0.000) 0.000 5.640 ( 0.000 0.000 0.000) 0.000 7.423 ( 0.000 0.000 0.000) 0.000 7.423 ( 0.000 0.000 0.000) 0.000 9.495 ( 0.000 0.000 0.000) 0.000 9.930 ( 0.000 0.000 0.000) 0.000 9.930 ( 0.000 0.000 0.000) 0.000 10.640 ( 0.000 0.000 0.000) 0.000 11.512 ( 0.000 0.000 0.000) 0.000 11.512 ( 0.000 0.000 0.000) 0.000 14.806 ( 0.000 0.000 0.000) 0.000 14.806 ( 0.000 0.000 0.000) 0.000 14.977 ( 0.000 0.000 0.000) 0.000 14.977 ( 0.000 0.000 0.000) 0.000 17.199 ( 0.000 0.000 0.000) 0.000 17.199 ( 0.000 0.000 0.000) 0.000 18.132 ( 0.000 0.000 0.000) 0.000 18.322 ( 0.000 0.000 0.000) 0.000 20.057 ( 0.000 0.000 0.000) 0.000 20.909 ( 0.000 0.000 0.000) 0.000 20.987 ( 0.000 0.000 0.000) 0.000 20.987 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/162) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.326 ( 15.630 9.024 0.000) 18.048 0.654 ( 27.698 15.991 0.000) 31.983 1.221 ( 49.790 28.746 0.000) 57.493 2.902 ( -2.913 -1.682 0.000) 3.363 3.124 ( -5.670 -3.273 0.000) 6.547 3.380 ( 6.668 3.850 0.000) 7.700 5.652 ( 0.787 0.454 0.000) 0.909 7.442 ( 1.726 0.997 0.000) 1.993 7.449 ( 1.923 1.110 0.000) 2.220 9.407 ( -7.540 -4.353 0.000) 8.706 9.921 ( -0.628 -0.363 0.000) 0.725 10.546 ( -7.575 -4.373 0.000) 8.747 11.067 ( 1.123 0.648 0.000) 1.296 11.459 ( -3.765 -2.174 0.000) 4.347 11.533 ( 1.684 0.972 0.000) 1.945 14.784 ( -1.543 -0.891 0.000) 1.782 14.806 ( 0.071 0.041 0.000) 0.082 15.094 ( 9.755 5.632 0.000) 11.264 17.118 ( -6.799 -3.925 0.000) 7.850 17.242 ( 4.779 2.759 0.000) 5.519 18.157 ( 1.040 0.600 0.000) 1.200 18.199 ( -9.553 -5.515 0.000) 11.031 20.048 ( -1.745 -1.007 0.000) 2.014 20.190 ( 0.240 0.139 0.000) 0.278 20.908 ( -0.084 -0.048 0.000) 0.096 20.997 ( 0.839 0.485 0.000) 0.969 21.040 ( 4.371 2.524 0.000) 5.048 ======================= Grid point 2 (3/162) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 398 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( 20.295 11.718 0.000) 23.435 1.229 ( 22.220 12.829 0.000) 25.657 2.108 ( 24.812 14.325 0.000) 28.650 2.829 ( -2.862 -1.652 0.000) 3.304 2.971 ( -6.872 -3.967 0.000) 7.935 3.751 ( 29.201 16.859 0.000) 33.719 5.653 ( -1.455 -0.840 0.000) 1.680 7.489 ( 1.253 0.723 0.000) 1.447 7.505 ( 3.936 2.272 0.000) 4.544 9.176 ( -12.006 -6.932 0.000) 13.863 9.907 ( -0.542 -0.313 0.000) 0.626 10.319 ( -12.106 -6.989 0.000) 13.979 10.971 ( -11.191 -6.461 0.000) 12.922 11.435 ( 3.057 1.765 0.000) 3.530 11.584 ( 2.763 1.595 0.000) 3.190 14.744 ( -1.907 -1.101 0.000) 2.202 14.812 ( 0.444 0.256 0.000) 0.512 15.396 ( 16.265 9.390 0.000) 18.781 16.908 ( -11.334 -6.544 0.000) 13.087 17.393 ( 8.252 4.764 0.000) 9.528 17.888 ( -15.354 -8.865 0.000) 17.729 18.200 ( 0.953 0.550 0.000) 1.101 19.952 ( -6.229 -3.596 0.000) 7.193 20.241 ( 3.897 2.250 0.000) 4.500 20.905 ( -0.176 -0.102 0.000) 0.204 21.017 ( 0.734 0.424 0.000) 0.847 21.163 ( 6.007 3.468 0.000) 6.937 ======================= Grid point 3 (4/162) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( 24.385 14.079 0.000) 28.158 1.635 ( 13.398 7.735 0.000) 15.471 2.377 ( 2.725 1.573 0.000) 3.147 2.781 ( -2.887 -1.667 0.000) 3.333 2.869 ( 0.333 0.192 0.000) 0.384 4.669 ( 47.790 27.592 0.000) 55.184 5.547 ( -8.674 -5.008 0.000) 10.016 7.504 ( 0.405 0.234 0.000) 0.468 7.623 ( 6.418 3.705 0.000) 7.410 8.899 ( -11.634 -6.717 0.000) 13.434 9.890 ( -1.188 -0.686 0.000) 1.372 10.006 ( -15.292 -8.829 0.000) 17.657 10.594 ( -20.895 -12.064 0.000) 24.127 11.558 ( 6.655 3.842 0.000) 7.685 11.657 ( 3.663 2.115 0.000) 4.230 14.701 ( -1.813 -1.047 0.000) 2.094 14.827 ( 0.841 0.486 0.000) 0.971 15.792 ( 17.052 9.845 0.000) 19.690 16.626 ( -12.222 -7.057 0.000) 14.113 17.551 ( -13.330 -7.696 0.000) 15.392 17.602 ( 9.868 5.697 0.000) 11.395 18.187 ( -2.315 -1.337 0.000) 2.673 19.788 ( -7.842 -4.528 0.000) 9.055 20.346 ( 5.044 2.912 0.000) 5.824 20.902 ( -0.099 -0.057 0.000) 0.115 21.025 ( -0.128 -0.074 0.000) 0.148 21.295 ( 5.356 3.092 0.000) 6.185 ======================= Grid point 4 (5/162) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 398 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( 11.222 6.479 0.000) 12.958 1.936 ( 19.193 11.081 0.000) 22.162 2.361 ( -2.653 -1.532 0.000) 3.063 2.702 ( -2.994 -1.729 0.000) 3.458 2.990 ( 9.036 5.217 0.000) 10.434 5.237 ( -18.562 -10.717 0.000) 21.433 5.788 ( 49.162 28.383 0.000) 56.767 7.522 ( 1.285 0.742 0.000) 1.483 7.788 ( 7.612 4.395 0.000) 8.790 8.678 ( -7.371 -4.256 0.000) 8.511 9.634 ( -17.321 -10.001 0.000) 20.001 9.844 ( -2.871 -1.658 0.000) 3.316 10.061 ( -25.114 -14.500 0.000) 28.999 11.707 ( 6.032 3.483 0.000) 6.965 11.749 ( 4.341 2.506 0.000) 5.013 14.664 ( -1.359 -0.785 0.000) 1.570 14.847 ( 0.892 0.515 0.000) 1.030 15.976 ( -5.434 -3.137 0.000) 6.275 16.547 ( 10.183 5.879 0.000) 11.759 17.306 ( -8.192 -4.730 0.000) 9.459 17.825 ( 9.382 5.417 0.000) 10.834 18.088 ( -6.399 -3.695 0.000) 7.389 19.610 ( -7.570 -4.371 0.000) 8.741 20.458 ( 4.589 2.650 0.000) 5.299 20.902 ( 0.085 0.049 0.000) 0.098 21.011 ( -0.998 -0.576 0.000) 1.152 21.399 ( 3.717 2.146 0.000) 4.292 ======================= Grid point 5 (6/162) ======================= q-point: ( 0.42 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( 1.817 1.049 0.000) 2.098 2.298 ( -2.342 -1.352 0.000) 2.705 2.387 ( 15.538 8.971 0.000) 17.942 2.652 ( -1.680 -0.970 0.000) 1.940 3.273 ( 16.044 9.263 0.000) 18.526 4.740 ( -23.514 -13.576 0.000) 27.152 6.848 ( 43.001 24.826 0.000) 49.653 7.557 ( 1.503 0.868 0.000) 1.736 7.916 ( 1.300 0.750 0.000) 1.501 8.568 ( -2.634 -1.521 0.000) 3.042 9.224 ( -18.191 -10.502 0.000) 21.005 9.533 ( -18.613 -10.746 0.000) 21.492 9.772 ( -3.000 -1.732 0.000) 3.465 11.818 ( 3.507 2.025 0.000) 4.050 11.841 ( 3.312 1.912 0.000) 3.824 14.641 ( -0.717 -0.414 0.000) 0.828 14.864 ( 0.552 0.318 0.000) 0.637 15.754 ( -9.430 -5.445 0.000) 10.889 16.896 ( 15.796 9.120 0.000) 18.239 17.173 ( -3.674 -2.121 0.000) 4.242 17.908 ( -8.842 -5.105 0.000) 10.209 18.008 ( 6.166 3.560 0.000) 7.120 19.461 ( -5.082 -2.934 0.000) 5.868 20.545 ( 2.864 1.653 0.000) 3.307 20.905 ( 0.215 0.124 0.000) 0.248 20.985 ( -1.149 -0.663 0.000) 1.326 21.463 ( 1.850 1.068 0.000) 2.137 ======================= Grid point 6 (7/162) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.847 ( 0.000 0.000 0.000) 0.000 2.269 ( 0.000 0.000 0.000) 0.000 2.584 ( -0.000 -0.000 0.000) 0.000 2.609 ( 0.000 0.000 0.000) 0.000 3.562 ( -0.000 -0.000 0.000) 0.000 4.370 ( 0.000 0.000 0.000) 0.000 7.576 ( 0.000 0.000 0.000) 0.000 7.606 ( -0.000 -0.000 0.000) 0.000 7.722 ( 0.000 0.000 0.000) 0.000 8.541 ( 0.000 0.000 0.000) 0.000 8.968 ( 0.000 0.000 0.000) 0.000 9.310 ( 0.000 0.000 0.000) 0.000 9.733 ( 0.000 0.000 0.000) 0.000 11.859 ( 0.000 0.000 0.000) 0.000 11.881 ( 0.000 0.000 0.000) 0.000 14.632 ( 0.000 0.000 0.000) 0.000 14.871 ( 0.000 0.000 0.000) 0.000 15.638 ( 0.000 0.000 0.000) 0.000 17.113 ( 0.000 0.000 0.000) 0.000 17.134 ( -0.000 -0.000 0.000) 0.000 17.772 ( 0.000 0.000 0.000) 0.000 18.082 ( 0.000 0.000 0.000) 0.000 19.400 ( 0.000 0.000 0.000) 0.000 20.579 ( 0.000 0.000 0.000) 0.000 20.909 ( 0.000 0.000 0.000) 0.000 20.970 ( 0.000 0.000 0.000) 0.000 21.484 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 14 (8/162) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.620 ( 10.839 18.774 -3.888) 22.025 1.106 ( 14.881 25.774 2.127) 29.837 1.925 ( 19.214 33.280 -0.931) 38.440 2.864 ( -0.900 -1.559 -6.984) 7.213 3.013 ( -4.049 -7.013 -0.226) 8.102 3.579 ( 11.227 19.445 5.201) 23.048 5.660 ( -0.072 -0.124 -0.496) 0.517 7.460 ( 1.260 2.183 1.966) 3.197 7.501 ( 1.418 2.455 -0.362) 2.858 9.254 ( -6.115 -10.592 -0.435) 12.238 9.891 ( -1.397 -2.419 -1.920) 3.389 10.394 ( -6.126 -10.611 0.076) 12.253 11.119 ( 1.246 2.158 2.555) 3.569 11.295 ( -5.994 -10.383 -0.787) 12.014 11.619 ( 3.165 5.482 0.397) 6.343 14.625 ( -3.227 -5.589 0.904) 6.516 15.093 ( 7.785 13.484 1.414) 15.634 15.141 ( 2.835 4.911 -2.716) 6.287 16.981 ( -5.577 -9.660 -5.159) 12.290 17.325 ( 2.624 4.544 5.739) 7.776 17.995 ( -7.225 -12.514 -7.870) 16.454 18.187 ( 0.723 1.253 -0.319) 1.481 20.061 ( 0.054 0.093 0.214) 0.239 20.156 ( -0.848 -1.469 17.419) 17.501 20.907 ( -0.057 -0.100 0.500) 0.513 20.971 ( -0.443 -0.767 6.892) 6.948 21.163 ( 4.106 7.113 -17.735) 19.544 ======================= Grid point 15 (9/162) ======================= q-point: ( 0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( 17.482 20.639 -2.884) 27.201 1.553 ( 11.071 16.953 1.506) 20.304 2.333 ( 6.076 6.613 -0.045) 8.980 2.866 ( -2.714 4.583 -5.134) 7.398 2.889 ( -1.927 -1.287 -1.540) 2.783 4.230 ( 34.186 31.394 3.837) 46.572 5.619 ( -4.000 -2.958 -1.217) 5.122 7.510 ( -0.145 1.632 0.708) 1.785 7.549 ( 4.416 1.456 0.734) 4.707 9.020 ( -9.508 -8.175 -0.458) 12.548 9.829 ( -0.526 -7.564 -2.524) 7.992 10.144 ( -10.515 -10.665 0.055) 14.977 10.913 ( -21.761 -0.743 0.913) 21.793 11.285 ( 12.974 -11.526 1.207) 17.396 11.738 ( 2.076 9.807 1.339) 10.114 14.549 ( 1.845 -8.370 0.899) 8.618 15.102 ( -11.118 16.608 -1.937) 20.079 15.519 ( 22.481 5.276 0.272) 23.094 16.747 ( -10.423 -9.604 -5.652) 15.258 17.329 ( 0.602 -14.243 4.298) 14.890 17.838 ( -4.177 7.544 -5.520) 10.239 18.192 ( -0.387 -1.547 -0.551) 1.687 19.961 ( -11.779 3.657 5.093) 13.343 20.215 ( 9.055 -4.543 8.531) 13.244 20.904 ( -0.208 -0.032 0.884) 0.909 20.971 ( 2.050 -2.828 9.070) 9.719 21.296 ( 2.888 7.629 -16.593) 18.490 ======================= Grid point 16 (10/162) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( 18.663 20.295 -0.902) 27.586 1.807 ( 7.176 7.802 -0.066) 10.601 2.372 ( -1.186 -2.159 1.147) 2.717 2.793 ( -4.174 1.397 -1.541) 4.664 3.019 ( 1.841 18.063 -3.661) 18.522 5.213 ( 40.444 23.885 2.810) 47.054 5.447 ( -7.977 -2.785 -2.920) 8.939 7.497 ( 0.085 -2.055 -1.204) 2.383 7.678 ( 7.610 2.218 2.045) 8.186 8.807 ( -8.916 -1.642 -0.031) 9.066 9.679 ( -5.102 -17.057 -3.223) 18.093 9.861 ( -9.560 -8.991 -0.283) 13.126 10.489 ( -26.697 0.828 1.837) 26.773 11.399 ( 13.493 -11.917 0.869) 18.023 11.878 ( 1.182 12.618 2.316) 12.883 14.513 ( 4.008 -9.500 1.130) 10.372 15.080 ( -10.002 15.611 -2.553) 18.715 15.912 ( 13.925 2.898 -0.476) 14.231 16.491 ( -5.238 -6.623 -3.770) 9.247 17.133 ( 1.497 -22.961 -1.753) 23.077 17.962 ( -0.772 19.271 0.777) 19.302 18.138 ( -2.815 -2.805 -0.309) 3.986 19.776 ( -12.986 2.421 3.360) 13.631 20.332 ( 9.277 -4.276 4.860) 11.312 20.901 ( -0.051 0.003 1.324) 1.325 20.974 ( 1.763 -3.398 8.796) 9.593 21.406 ( 1.671 6.598 -12.966) 14.644 ======================= Grid point 17 (11/162) ======================= q-point: ( 0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( 1.027 3.567 -0.227) 3.718 2.190 ( 16.360 10.279 6.408) 20.356 2.323 ( 0.711 1.421 -4.184) 4.476 2.764 ( -4.205 7.263 -1.451) 8.517 3.272 ( 3.642 24.216 -3.598) 24.751 5.018 ( -22.377 -11.037 -1.482) 24.995 6.281 ( 46.920 20.001 -0.603) 51.009 7.490 ( 3.077 -4.798 -2.081) 6.068 7.816 ( 6.471 -1.675 2.066) 6.996 8.703 ( -6.403 7.148 1.117) 9.661 9.329 ( -12.185 -19.889 -2.972) 23.514 9.625 ( -8.421 -10.874 -1.868) 13.880 10.079 ( -23.878 6.889 3.446) 25.089 11.504 ( 13.033 -13.133 0.263) 18.504 12.013 ( -0.760 13.257 2.958) 13.605 14.495 ( 4.873 -9.671 1.378) 10.916 15.068 ( -8.935 14.641 -3.189) 17.446 15.870 ( -10.126 -6.314 -1.615) 12.042 16.630 ( 19.299 -1.798 -3.206) 19.646 16.988 ( 5.627 -16.725 -2.748) 17.859 17.958 ( -6.656 -5.854 -0.266) 8.868 18.209 ( -2.299 23.277 4.485) 23.816 19.583 ( -11.029 0.835 0.699) 11.083 20.436 ( 7.989 -4.947 3.391) 9.990 20.903 ( 0.165 0.044 1.761) 1.769 20.963 ( 0.822 -3.087 7.281) 7.951 21.481 ( 0.309 5.179 -9.794) 11.084 ======================= Grid point 18 (12/162) ======================= q-point: ( 0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( -0.010 1.015 -0.041) 1.016 2.229 ( 1.085 -5.006 5.434) 7.468 2.558 ( 5.426 6.155 -2.328) 8.529 2.784 ( -7.237 15.342 -0.123) 16.964 3.628 ( 6.260 26.016 -5.534) 27.325 4.506 ( -20.576 -9.972 -1.407) 22.908 7.185 ( 40.560 8.420 -1.450) 41.450 7.500 ( 4.531 -6.988 -2.507) 8.698 7.756 ( -7.290 -16.026 0.496) 17.614 8.711 ( -5.743 13.480 3.488) 15.062 8.975 ( -7.115 -11.370 -1.831) 13.537 9.395 ( -8.863 -0.689 -2.448) 9.221 9.851 ( -10.563 6.625 3.229) 12.880 11.572 ( 10.819 -14.879 -0.056) 18.397 12.098 ( -4.202 11.988 3.229) 13.107 14.487 ( 5.263 -9.493 1.504) 10.958 15.062 ( -8.180 13.808 -3.823) 16.498 15.673 ( -5.362 -2.471 -0.808) 5.959 16.803 ( 14.918 -23.545 -9.034) 29.300 17.075 ( 8.650 3.300 1.949) 9.461 17.770 ( -5.166 -7.005 -0.154) 8.705 18.364 ( -9.032 25.075 7.143) 27.593 19.443 ( -5.226 0.672 -1.688) 5.533 20.498 ( 5.692 -6.458 2.915) 9.089 20.907 ( 0.211 0.003 2.102) 2.113 20.947 ( 0.659 -2.309 6.016) 6.478 21.518 ( -1.179 3.929 -8.062) 9.045 ======================= Grid point 27 (13/162) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 398 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( 15.322 26.538 -2.029) 30.710 1.793 ( 4.012 6.949 0.015) 8.024 2.370 ( -1.003 -1.737 1.286) 2.383 2.829 ( -0.574 -0.995 -1.815) 2.148 3.140 ( 10.734 18.592 -5.653) 22.200 4.939 ( 22.688 39.297 3.274) 45.494 5.515 ( -4.740 -8.210 -2.588) 9.827 7.488 ( -2.233 -3.868 -1.820) 4.823 7.616 ( 3.106 5.379 2.982) 6.890 8.886 ( -2.748 -4.759 0.096) 5.496 9.622 ( -7.787 -13.488 -3.769) 16.025 9.907 ( -7.474 -12.945 -0.338) 14.951 10.841 ( -5.706 -9.882 -0.746) 11.436 11.110 ( -1.711 -2.964 4.232) 5.443 11.932 ( 5.609 9.715 2.657) 11.529 14.426 ( -2.583 -4.474 0.739) 5.218 15.328 ( 2.865 4.963 -2.782) 6.370 15.708 ( 8.359 14.478 -0.568) 16.728 16.529 ( -7.296 -12.637 -8.692) 16.984 16.986 ( -9.447 -16.363 2.966) 19.126 18.085 ( 8.771 15.192 -1.772) 17.631 18.132 ( -2.704 -4.683 -0.562) 5.437 20.040 ( -0.922 -1.596 0.838) 2.025 20.095 ( -1.136 -1.968 12.430) 12.636 20.903 ( -0.048 -0.083 1.754) 1.757 20.935 ( -0.530 -0.917 9.946) 10.003 21.430 ( 3.346 5.796 -16.565) 17.866 ======================= Grid point 28 (14/162) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( -0.047 2.944 -0.896) 3.078 2.049 ( 15.115 17.340 4.819) 23.503 2.323 ( 0.083 0.045 -3.245) 3.247 2.854 ( 1.211 5.929 -3.510) 6.996 3.523 ( 4.472 29.717 -2.701) 30.173 5.255 ( -15.436 -8.005 -3.114) 17.665 5.749 ( 35.014 21.521 0.241) 41.100 7.400 ( -0.703 -7.180 -3.037) 7.827 7.722 ( 3.868 1.468 2.761) 4.974 8.850 ( -2.020 5.748 1.983) 6.407 9.300 ( -9.610 -20.421 -4.232) 22.963 9.666 ( -7.071 -9.186 -1.260) 11.660 10.554 ( -22.151 4.067 1.533) 22.573 11.138 ( 12.341 -14.135 3.142) 19.025 12.111 ( 3.288 10.862 3.589) 11.903 14.363 ( 0.888 -5.834 0.707) 5.944 15.363 ( -7.100 12.330 -2.902) 14.521 15.914 ( 1.375 -2.872 -3.955) 5.077 16.321 ( 2.876 -13.045 -8.798) 15.995 16.796 ( 2.461 -6.799 3.623) 8.088 17.998 ( -5.671 -7.658 -0.313) 9.534 18.400 ( 6.500 21.127 1.167) 22.135 19.850 ( -16.252 4.461 3.317) 17.177 20.184 ( 11.995 -10.400 5.735) 16.880 20.902 ( -0.030 0.019 2.804) 2.805 20.925 ( 0.525 -1.489 9.621) 9.749 21.523 ( 1.343 5.044 -14.075) 15.012 ======================= Grid point 29 (15/162) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 724 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( -0.366 1.311 -0.270) 1.388 2.157 ( 0.346 -5.909 8.195) 10.109 2.529 ( 6.966 9.819 -5.119) 13.083 3.018 ( 2.469 19.848 -3.491) 20.304 3.869 ( 1.675 32.571 -2.782) 32.733 4.821 ( -24.997 -8.019 -3.881) 26.537 6.544 ( 40.314 7.269 -1.730) 41.000 7.340 ( 3.166 -9.356 -4.075) 10.684 7.698 ( -3.373 -11.967 0.957) 12.470 8.888 ( -3.407 5.885 2.378) 7.204 8.979 ( -5.926 -10.490 -0.642) 12.065 9.527 ( -4.109 2.802 -2.654) 5.637 10.213 ( -22.465 6.183 3.261) 23.528 11.210 ( 13.199 -16.682 2.243) 21.390 12.245 ( -0.111 10.097 4.069) 10.886 14.335 ( 2.788 -6.466 0.713) 7.078 15.348 ( -9.052 13.061 -4.445) 16.501 15.757 ( -7.679 -4.699 -2.585) 9.366 16.313 ( 12.773 -23.109 -10.849) 28.546 16.942 ( 11.296 6.537 4.055) 13.667 17.796 ( -7.153 -9.908 0.145) 12.221 18.698 ( 0.893 24.986 4.703) 25.440 19.617 ( -13.970 2.212 -0.110) 14.145 20.267 ( 10.354 -11.872 4.390) 16.353 20.903 ( 0.165 -0.006 3.765) 3.769 20.919 ( 0.392 -1.333 8.516) 8.629 21.576 ( -0.378 4.179 -11.859) 12.580 ======================= Grid point 30 (16/162) ======================= q-point: ( 0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( -0.679 1.176 0.407) 1.418 2.124 ( 3.014 -5.220 6.439) 8.820 2.625 ( -1.008 1.746 -3.721) 4.232 3.173 ( -11.963 20.720 -1.670) 23.984 4.233 ( -17.738 30.724 -6.700) 36.104 4.358 ( 1.408 -2.439 -1.692) 3.286 7.116 ( 11.305 -19.581 -1.374) 22.652 7.304 ( 5.265 -9.118 -4.800) 11.572 7.440 ( 6.301 -10.913 -1.757) 12.724 8.841 ( 1.415 -2.452 -1.118) 3.044 8.922 ( -3.022 5.234 5.348) 8.070 9.546 ( -8.444 14.626 -2.923) 17.140 10.011 ( -5.973 10.346 3.994) 12.596 11.243 ( 10.724 -18.575 1.986) 21.541 12.295 ( -4.546 7.874 4.207) 10.018 14.328 ( 3.718 -6.439 0.707) 7.469 15.329 ( -7.277 12.605 -5.760) 15.653 15.665 ( -0.955 1.655 -0.893) 2.109 16.303 ( 14.116 -24.450 -11.161) 30.359 17.123 ( -0.439 0.761 3.247) 3.364 17.646 ( 3.008 -5.210 0.468) 6.034 18.853 ( -13.090 22.672 7.933) 27.355 19.486 ( -2.389 4.138 -3.395) 5.862 20.298 ( 7.808 -13.523 4.041) 16.130 20.905 ( 0.078 -0.135 4.176) 4.179 20.915 ( 0.559 -0.969 7.915) 7.994 21.593 ( -1.913 3.314 -11.007) 11.654 ======================= Grid point 41 (17/162) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( 0.415 0.719 -0.552) 0.997 2.122 ( -2.450 -4.244 8.940) 10.195 2.518 ( 6.609 11.447 -6.219) 14.608 3.089 ( 10.961 18.985 -5.509) 22.603 4.049 ( 11.908 20.626 -0.077) 23.817 5.059 ( -6.656 -11.528 -5.532) 14.415 6.159 ( 12.565 21.763 -1.513) 25.175 7.259 ( -3.647 -6.317 -4.550) 8.598 7.665 ( -5.558 -9.627 0.956) 11.157 8.946 ( -7.525 -13.033 -3.278) 15.402 8.975 ( 2.364 4.094 4.976) 6.864 9.576 ( 1.482 2.567 -2.288) 3.745 10.567 ( -3.605 -6.243 0.512) 7.227 10.895 ( -4.372 -7.572 5.541) 10.352 12.296 ( 4.413 7.644 4.363) 9.846 14.278 ( -1.724 -2.985 0.329) 3.463 15.545 ( 3.368 5.833 -2.020) 7.032 15.797 ( -4.870 -8.436 -7.739) 12.441 16.041 ( -6.578 -11.393 -9.667) 16.326 16.868 ( 6.226 10.785 5.169) 13.483 17.809 ( -6.532 -11.313 0.193) 13.065 18.810 ( 11.628 20.140 2.246) 23.363 19.915 ( -2.737 -4.741 0.129) 5.476 19.958 ( -3.249 -5.628 6.398) 9.120 20.902 ( 0.006 0.010 4.191) 4.191 20.909 ( -0.216 -0.375 9.409) 9.419 21.601 ( 1.693 2.932 -12.882) 13.319 ======================= Grid point 42 (18/162) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( -0.126 1.918 1.067) 2.198 2.041 ( -0.104 -5.498 5.945) 8.098 2.645 ( 1.249 3.101 -4.717) 5.782 3.493 ( 3.916 26.113 -4.333) 26.758 4.253 ( 1.960 -1.957 -1.285) 3.054 4.864 ( -16.368 16.670 -4.617) 23.814 6.637 ( 25.840 5.027 -3.066) 26.503 7.170 ( 0.912 -6.923 -5.420) 8.839 7.321 ( -11.164 -24.675 -2.515) 27.200 8.827 ( -0.338 -0.312 -0.336) 0.570 8.965 ( -2.093 -2.650 3.951) 5.198 9.782 ( 4.804 20.692 -0.736) 21.255 10.301 ( -19.343 1.822 2.499) 19.588 10.857 ( 11.240 -18.373 4.554) 22.015 12.401 ( 0.022 5.604 4.713) 7.322 14.241 ( 0.799 -3.183 0.091) 3.283 15.554 ( -8.196 7.310 -6.943) 12.993 15.703 ( 0.321 -0.384 -1.882) 1.948 15.907 ( 6.016 -16.610 -10.691) 20.649 17.113 ( 7.043 10.308 3.630) 13.001 17.578 ( -5.068 -12.014 0.984) 13.076 19.169 ( 4.017 22.449 5.640) 23.493 19.657 ( -15.505 1.572 -0.985) 15.616 19.987 ( 10.800 -16.104 3.009) 19.622 20.902 ( 0.086 -0.039 5.752) 5.753 20.905 ( 0.043 -0.315 8.371) 8.377 21.639 ( -0.160 2.175 -11.882) 12.081 ======================= Grid point 54 (19/162) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( -1.823 -3.158 3.377) 4.970 1.950 ( 1.823 3.158 3.377) 4.970 2.674 ( -0.000 -0.000 -4.906) 4.906 3.974 ( -10.671 -18.482 -3.621) 21.646 3.974 ( 10.671 18.482 -3.621) 21.646 5.113 ( -0.000 -0.000 -1.758) 1.758 6.856 ( -9.384 -16.254 -4.193) 19.231 6.856 ( 9.384 16.254 -4.193) 19.231 7.100 ( -0.000 -0.000 -5.867) 5.867 8.882 ( -2.278 -3.945 1.829) 4.909 8.882 ( 2.278 3.945 1.829) 4.909 10.188 ( -8.050 -13.943 0.486) 16.107 10.188 ( 8.050 13.943 0.486) 16.107 10.619 ( -0.000 -0.000 7.296) 7.296 12.458 ( -0.000 -0.000 4.930) 4.930 14.210 ( -0.000 -0.000 -0.169) 0.169 15.671 ( -3.340 -5.785 -10.286) 12.264 15.671 ( 3.340 5.785 -10.286) 12.264 15.724 ( -0.000 -0.000 0.724) 0.724 17.337 ( -6.076 -10.523 2.263) 12.360 17.337 ( 6.076 10.523 2.263) 12.360 19.502 ( -0.000 -0.000 12.059) 12.059 19.694 ( -3.443 -5.963 -2.521) 7.333 19.694 ( 3.443 5.963 -2.521) 7.333 20.902 ( -0.007 -0.013 7.397) 7.397 20.902 ( 0.007 0.013 7.397) 7.397 21.661 ( -0.000 -0.000 -11.755) 11.755 ======================= Grid point 157 (20/162) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.267 ( 0.000 0.000 13.293) 13.293 0.267 ( -0.000 0.000 13.293) 13.293 0.921 ( 0.000 -0.000 45.229) 45.229 2.881 ( 0.000 0.000 -5.733) 5.733 2.881 ( 0.000 -0.000 -5.733) 5.733 4.278 ( 0.000 0.000 -0.653) 0.653 5.652 ( 0.000 0.000 1.109) 1.109 7.387 ( 0.000 -0.000 -3.447) 3.447 7.387 ( 0.000 0.000 -3.447) 3.447 9.539 ( 0.000 0.000 0.895) 0.895 9.950 ( -0.000 0.000 1.959) 1.959 9.950 ( 0.000 -0.000 1.959) 1.959 10.624 ( 0.000 0.000 -1.518) 1.518 11.514 ( 0.000 -0.000 0.142) 0.142 11.514 ( 0.000 -0.000 0.142) 0.142 14.789 ( 0.000 0.000 -1.611) 1.611 14.789 ( 0.000 -0.000 -1.611) 1.611 14.950 ( 0.000 -0.000 -2.735) 2.735 14.950 ( 0.000 0.000 -2.735) 2.735 17.089 ( 0.000 -0.000 -10.247) 10.247 17.089 ( 0.000 0.000 -10.247) 10.247 18.145 ( 0.000 0.000 1.304) 1.304 20.048 ( 0.000 0.000 -0.859) 0.859 20.895 ( 0.000 0.000 -1.287) 1.287 21.041 ( -0.000 -0.000 5.075) 5.075 21.041 ( 0.000 -0.000 5.075) 5.075 21.351 ( 0.000 0.000 2.963) 2.963 ======================= Grid point 158 (21/162) ======================= q-point: ( 0.08 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.673 ( 19.112 12.049 11.600) 25.398 0.759 ( 18.607 10.424 15.812) 26.550 1.396 ( 39.535 21.170 19.671) 48.971 2.828 ( 3.374 -11.501 -7.672) 14.231 3.127 ( 10.839 15.855 -3.000) 19.438 3.642 ( -26.854 -14.517 17.596) 35.235 5.660 ( 0.615 0.015 0.723) 0.950 7.396 ( -0.210 3.525 -4.152) 5.450 7.432 ( 2.861 0.652 -2.176) 3.653 9.427 ( -7.314 -4.861 1.892) 8.984 9.940 ( 0.944 -3.293 1.843) 3.890 10.447 ( -1.979 -0.109 -10.130) 10.322 10.825 ( 16.624 12.973 -12.884) 24.711 11.449 ( -3.958 -3.894 -0.284) 5.559 11.537 ( 1.399 1.855 0.364) 2.352 14.763 ( -7.371 9.483 -2.155) 12.202 14.791 ( 4.412 -7.794 -1.357) 9.058 15.077 ( 12.433 2.145 -1.881) 12.756 16.432 ( 72.292 39.997 -76.813) 112.810 16.998 ( -3.034 -8.974 -10.790) 14.358 17.171 ( 2.214 9.208 -9.318) 13.285 18.167 ( 1.624 0.719 0.864) 1.975 20.051 ( 0.042 0.168 -0.743) 0.763 20.524 ( -30.233 -13.438 9.503) 34.423 20.912 ( -0.708 -0.309 0.665) 1.019 21.011 ( -7.973 7.421 5.259) 12.095 21.397 ( 9.497 -8.676 14.942) 19.717 ======================= Grid point 159 (22/162) ======================= q-point: ( 0.17 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( 16.323 5.343 20.065) 26.412 1.272 ( 19.797 15.660 4.309) 25.607 2.144 ( 21.650 11.092 4.543) 24.747 2.782 ( 4.534 -9.378 -4.540) 11.363 3.141 ( -12.923 -7.854 13.665) 20.382 3.714 ( 29.367 25.154 -2.918) 38.777 5.652 ( -1.244 -1.870 -0.041) 2.246 7.440 ( 0.693 3.798 -4.286) 5.769 7.493 ( 3.475 1.142 -1.746) 4.053 9.201 ( -11.379 -7.333 2.390) 13.746 9.922 ( 0.790 -3.426 1.412) 3.788 10.271 ( -11.356 -6.164 -4.467) 13.671 10.938 ( -9.400 -2.411 -2.945) 10.141 11.417 ( 4.249 2.083 -1.300) 4.907 11.594 ( 2.380 3.137 0.964) 4.054 14.729 ( -5.872 6.776 -1.491) 9.090 14.798 ( 5.182 -7.637 -1.324) 9.324 15.386 ( 16.745 8.976 -1.091) 19.031 16.812 ( -6.283 -11.400 -8.951) 15.797 17.306 ( 9.561 9.934 -12.977) 18.934 17.410 ( 15.036 6.321 -35.416) 38.991 18.194 ( 0.694 -0.093 0.072) 0.704 19.963 ( -14.512 -2.967 1.674) 14.907 20.125 ( -3.126 2.832 -6.053) 7.378 20.899 ( -0.743 0.107 -0.148) 0.765 20.955 ( -5.805 5.740 2.197) 8.455 21.476 ( 9.211 -8.405 15.767) 20.102 ======================= Grid point 160 (23/162) ======================= q-point: ( 0.25 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( 20.156 9.466 11.390) 25.012 1.673 ( 12.634 9.240 3.616) 16.065 2.357 ( 1.439 1.234 -1.633) 2.502 2.807 ( 2.727 -4.905 2.353) 6.085 2.939 ( -0.694 -2.528 6.642) 7.141 4.677 ( 46.248 30.814 0.922) 55.580 5.547 ( -7.241 -6.471 -0.108) 9.712 7.473 ( 0.923 0.471 -3.071) 3.241 7.597 ( 5.389 4.922 -2.539) 7.728 8.930 ( -11.169 -7.022 3.013) 13.533 9.890 ( 0.092 -6.683 -0.200) 6.687 9.975 ( -14.881 -6.463 -2.782) 16.461 10.589 ( -21.623 -9.646 -0.516) 23.682 11.569 ( 8.534 2.841 1.102) 9.061 11.679 ( 1.962 6.772 2.160) 7.374 14.697 ( -5.120 5.883 -0.388) 7.809 14.816 ( 5.492 -7.364 -1.013) 9.242 15.786 ( 17.226 10.226 -0.646) 20.043 16.583 ( -6.492 -10.467 -4.701) 13.184 17.468 ( -2.799 -7.915 -7.918) 11.540 17.544 ( 7.818 10.747 -6.359) 14.732 18.175 ( -2.200 -1.814 -0.776) 2.955 19.727 ( -10.838 -0.641 -6.527) 12.668 20.193 ( 3.392 5.726 -11.072) 12.918 20.890 ( -0.895 1.064 -1.455) 2.013 20.929 ( -3.914 5.508 -0.434) 6.771 21.537 ( 7.236 -7.739 13.732) 17.344 ======================= Grid point 161 (24/162) ======================= q-point: ( 0.33 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( 9.356 5.617 2.227) 11.138 1.956 ( 13.461 8.843 1.168) 16.148 2.355 ( -0.228 0.914 0.256) 0.976 2.731 ( -2.314 -4.108 2.560) 5.365 3.091 ( 13.553 3.285 9.648) 16.958 5.234 ( -16.645 -10.563 -0.204) 19.715 5.808 ( 48.229 27.376 1.883) 55.489 7.498 ( 2.327 -0.707 -2.363) 3.391 7.761 ( 6.470 6.792 -2.590) 9.731 8.712 ( -7.531 -4.100 3.230) 9.163 9.599 ( -15.442 -12.445 -3.269) 20.100 9.831 ( -1.497 -8.792 -1.183) 8.997 10.072 ( -27.621 -6.301 0.913) 28.345 11.727 ( 10.703 -4.802 2.195) 11.935 11.794 ( -1.029 14.419 4.024) 15.005 14.671 ( -4.490 5.492 0.599) 7.120 14.836 ( 5.209 -7.158 -0.969) 8.906 16.006 ( -1.448 -2.550 2.618) 3.931 16.542 ( 11.530 3.198 -1.422) 12.050 17.296 ( -3.213 -12.163 0.055) 12.580 17.781 ( 5.499 13.328 -4.558) 15.121 18.076 ( -6.304 -3.558 -1.024) 7.311 19.552 ( -8.123 -2.637 -6.260) 10.588 20.318 ( 3.758 5.891 -12.722) 14.515 20.890 ( -0.884 1.753 -2.037) 2.829 20.924 ( -3.159 5.434 -1.610) 6.489 21.571 ( 5.401 -7.151 10.928) 14.133 ======================= Grid point 162 (25/162) ======================= q-point: ( 0.42 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( 2.299 1.209 2.438) 3.563 2.147 ( -1.228 5.394 -9.878) 11.322 2.467 ( 9.240 3.669 4.048) 10.735 2.675 ( -1.040 -2.067 2.261) 3.235 3.436 ( 21.258 6.238 14.433) 26.441 4.755 ( -22.501 -15.130 1.555) 27.159 6.853 ( 43.087 23.342 0.514) 49.006 7.535 ( 2.875 -1.337 -2.147) 3.829 7.898 ( 0.690 2.955 -1.850) 3.554 8.596 ( -4.065 0.331 2.799) 4.947 9.200 ( -15.684 -13.289 -2.193) 20.674 9.510 ( -15.549 -14.930 -2.157) 21.664 9.783 ( -7.731 3.966 0.895) 8.735 11.835 ( 9.913 -9.141 2.556) 13.724 11.905 ( -4.400 16.390 5.272) 17.770 14.653 ( -3.834 5.348 1.142) 6.679 14.850 ( 4.633 -7.218 -1.297) 8.675 15.847 ( -6.558 -5.844 8.670) 12.343 16.879 ( 16.951 4.938 -2.877) 17.888 17.164 ( 0.624 -8.899 0.616) 8.942 17.887 ( -7.058 -5.608 -0.987) 9.069 17.985 ( -0.969 14.498 -3.205) 14.879 19.408 ( -4.448 -3.905 -5.415) 8.022 20.419 ( 1.768 4.417 -12.304) 13.192 20.892 ( -1.048 2.048 -1.722) 2.874 20.925 ( -2.865 5.075 -1.658) 6.059 21.584 ( 4.186 -6.567 8.475) 11.510 ======================= Grid point 163 (26/162) ======================= q-point: (-0.50 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( -0.018 0.031 3.215) 3.215 2.147 ( -2.628 4.552 -10.295) 11.559 2.586 ( 1.178 -2.040 0.275) 2.372 2.647 ( -0.318 0.551 3.480) 3.537 3.777 ( 3.424 -5.931 19.128) 20.317 4.360 ( 0.509 -0.882 -0.956) 1.397 7.532 ( 2.684 -4.648 -3.141) 6.219 7.633 ( -1.020 1.766 1.403) 2.475 7.704 ( 0.918 -1.590 -1.756) 2.541 8.569 ( -3.022 5.233 2.735) 6.633 8.950 ( 1.461 -2.530 -1.617) 3.339 9.288 ( 1.602 -2.775 -2.160) 3.864 9.736 ( -2.125 3.680 0.176) 4.253 11.876 ( 6.609 -11.447 2.708) 13.492 11.950 ( -8.363 14.486 5.598) 17.639 14.647 ( -3.179 5.507 1.279) 6.486 14.853 ( 4.253 -7.366 -1.544) 8.645 15.755 ( 0.714 -1.237 11.028) 11.120 17.049 ( 7.685 -13.310 -6.527) 16.698 17.164 ( -1.259 2.181 3.216) 4.085 17.757 ( 0.251 -0.435 -0.646) 0.819 18.060 ( -6.892 11.937 -2.798) 14.064 19.346 ( 1.291 -2.236 -5.247) 5.848 20.456 ( -1.419 2.459 -12.040) 12.371 20.894 ( -1.226 2.123 -1.516) 2.882 20.925 ( -2.766 4.791 -1.396) 5.706 21.587 ( 3.669 -6.355 7.486) 10.483 ======================= Grid point 171 (27/162) ======================= q-point: ( 0.08 0.08 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( 6.994 12.113 21.478) 25.631 1.198 ( 14.739 25.528 7.137) 30.329 1.969 ( 16.789 29.079 6.543) 34.210 2.684 ( -1.801 -3.120 -10.963) 11.540 3.218 ( -7.508 -13.005 16.627) 22.404 3.607 ( 13.486 23.359 -1.905) 27.040 5.653 ( -0.648 -1.122 -0.231) 1.316 7.462 ( 1.739 3.013 -1.796) 3.915 7.465 ( 1.241 2.149 -3.440) 4.242 9.269 ( -6.118 -10.597 1.883) 12.380 9.873 ( -1.991 -3.449 0.174) 3.986 10.343 ( -5.439 -9.420 -4.748) 11.869 11.083 ( 5.055 8.755 -4.908) 11.238 11.285 ( -6.041 -10.463 -0.132) 12.082 11.628 ( 3.787 6.558 0.769) 7.612 14.631 ( -3.153 -5.461 -0.492) 6.325 15.070 ( 2.781 4.816 -4.313) 7.038 15.100 ( 7.911 13.703 -0.858) 15.846 16.805 ( -6.190 -10.722 -11.559) 16.938 17.166 ( 12.660 21.927 -42.504) 49.474 17.388 ( 7.743 13.412 -14.357) 21.117 18.185 ( 0.437 0.758 0.295) 0.923 20.057 ( 0.178 0.308 -0.629) 0.722 20.219 ( -7.825 -13.554 -5.781) 16.684 20.906 ( -0.135 -0.235 0.242) 0.363 21.138 ( 0.717 1.242 9.066) 9.179 21.237 ( -1.046 -1.811 15.284) 15.427 ======================= Grid point 172 (28/162) ======================= q-point: ( 0.17 0.08 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( 15.123 15.505 14.291) 25.949 1.623 ( 9.286 16.195 5.539) 19.473 2.344 ( 5.141 8.172 1.684) 9.800 2.728 ( 5.939 5.479 -7.419) 10.969 2.971 ( -6.670 -8.256 7.275) 12.867 4.307 ( 32.311 34.328 3.890) 47.303 5.592 ( -4.103 -4.514 -1.390) 6.256 7.479 ( -0.848 -0.025 -3.361) 3.466 7.548 ( 4.537 3.966 -1.379) 6.182 9.038 ( -9.039 -8.255 2.324) 12.460 9.791 ( -0.856 -9.604 -1.169) 9.712 10.107 ( -10.067 -10.487 -3.482) 14.948 10.925 ( -21.061 -0.158 0.413) 21.065 11.305 ( 13.185 -8.916 0.609) 15.929 11.779 ( 3.042 11.851 2.672) 12.524 14.560 ( 2.344 -8.289 0.115) 8.615 15.049 ( -10.637 15.367 -3.275) 18.974 15.510 ( 22.423 5.457 -1.363) 23.117 16.579 ( -6.721 -12.226 -10.499) 17.461 17.317 ( 0.621 -7.496 -7.761) 10.808 17.646 ( 5.877 15.755 -10.343) 19.741 18.180 ( -0.866 -1.595 -0.289) 1.838 19.956 ( -12.722 2.279 -7.264) 14.826 20.139 ( 5.595 -1.960 -11.077) 12.564 20.905 ( -0.110 0.495 -0.328) 0.604 21.080 ( -6.819 6.105 5.939) 10.910 21.314 ( 9.552 -6.598 11.903) 16.627 ======================= Grid point 173 (29/162) ======================= q-point: ( 0.25 0.08 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( 15.620 16.786 5.370) 23.550 1.842 ( 7.218 6.236 3.462) 10.148 2.399 ( -1.871 1.578 1.451) 2.845 2.795 ( -4.818 1.434 1.161) 5.159 3.000 ( 7.926 13.820 2.563) 16.137 5.282 ( 43.033 28.772 3.580) 51.890 5.394 ( -12.164 -8.413 -1.906) 14.912 7.450 ( 0.170 -3.504 -3.370) 4.865 7.691 ( 7.016 4.333 -0.903) 8.295 8.835 ( -8.379 -1.309 2.878) 8.956 9.610 ( -5.645 -18.615 -3.462) 19.757 9.829 ( -9.531 -10.219 -2.890) 14.269 10.528 ( -25.374 2.171 2.064) 25.551 11.432 ( 12.762 -10.142 2.293) 16.461 11.953 ( 1.713 14.644 4.929) 15.546 14.535 ( 4.843 -9.866 0.939) 11.031 15.022 ( -9.887 14.878 -2.997) 18.113 15.902 ( 14.957 1.829 -0.568) 15.079 16.379 ( 0.304 -10.721 -7.893) 13.317 17.158 ( -2.456 -15.486 4.604) 16.342 17.915 ( 4.207 20.171 -5.400) 21.301 18.118 ( -3.054 -3.750 -1.058) 4.951 19.750 ( -14.287 2.801 -7.306) 16.289 20.246 ( 7.654 -1.072 -12.046) 14.312 20.912 ( -0.119 1.274 -0.471) 1.363 21.044 ( -4.356 5.305 2.048) 7.163 21.398 ( 7.128 -5.396 8.978) 12.669 ======================= Grid point 174 (30/162) ======================= q-point: ( 0.33 0.08 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( 1.721 3.132 1.571) 3.904 2.158 ( 9.379 10.100 -5.509) 14.843 2.388 ( 3.321 1.644 5.991) 7.045 2.771 ( -3.169 8.277 2.128) 9.115 3.305 ( 8.037 20.235 7.085) 22.896 4.999 ( -21.194 -12.405 -0.361) 24.560 6.287 ( 45.533 19.409 1.269) 49.513 7.431 ( 3.535 -6.736 -3.668) 8.446 7.838 ( 5.672 0.052 -0.050) 5.673 8.746 ( -6.025 8.314 3.206) 10.757 9.255 ( -10.981 -20.606 -4.093) 23.706 9.569 ( -9.239 -11.373 -3.666) 15.105 10.148 ( -23.350 7.215 3.293) 24.660 11.539 ( 12.171 -11.555 3.144) 17.075 12.110 ( -0.817 14.884 6.386) 16.217 14.525 ( 5.673 -10.570 1.406) 12.078 15.004 ( -8.940 13.941 -2.793) 16.795 15.902 ( -6.231 -6.455 4.108) 9.868 16.501 ( 19.711 -12.447 -9.330) 25.110 17.032 ( 2.887 -5.988 7.315) 9.884 17.954 ( -6.736 -5.656 0.187) 8.798 18.215 ( 1.385 23.313 -3.894) 23.677 19.532 ( -12.708 0.337 -6.374) 14.221 20.357 ( 6.853 -2.274 -11.261) 13.377 20.924 ( -0.368 1.822 0.025) 1.859 21.026 ( -3.337 4.225 1.203) 5.516 21.452 ( 4.766 -4.138 5.674) 8.487 ======================= Grid point 175 (31/162) ======================= q-point: ( 0.42 0.08 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( 0.615 1.184 2.856) 3.152 2.207 ( -1.647 0.296 -6.789) 6.992 2.536 ( 4.439 1.882 -0.344) 4.834 2.831 ( -6.568 17.496 4.385) 19.196 3.687 ( 11.296 19.840 11.032) 25.356 4.490 ( -20.479 -11.298 -0.045) 23.389 7.162 ( 38.949 7.443 -0.866) 39.663 7.435 ( 6.330 -9.011 -3.629) 11.595 7.766 ( -8.539 -15.743 0.488) 17.917 8.783 ( -3.424 14.314 3.132) 15.048 8.930 ( -7.221 -9.388 -2.098) 12.028 9.326 ( -8.423 -2.712 -4.384) 9.875 9.914 ( -12.046 7.916 2.875) 14.698 11.608 ( 9.955 -13.362 3.524) 17.032 12.204 ( -4.713 13.298 7.001) 15.750 14.519 ( 5.982 -10.725 1.369) 12.356 14.992 ( -8.039 13.201 -2.534) 15.662 15.756 ( -3.223 -3.263 8.220) 9.413 16.606 ( 15.862 -25.463 -10.253) 31.704 17.150 ( 6.602 4.801 5.761) 9.991 17.772 ( -5.405 -6.053 0.595) 8.137 18.421 ( -7.277 25.614 -1.680) 26.680 19.357 ( -5.753 -1.261 -6.867) 9.047 20.423 ( 4.467 -4.124 -10.589) 12.210 20.933 ( -0.869 2.085 0.393) 2.292 21.014 ( -2.525 3.556 1.741) 4.696 21.479 ( 2.886 -3.613 3.590) 5.854 ======================= Grid point 184 (32/162) ======================= q-point: ( 0.17 0.17 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( 13.681 23.697 7.216) 28.298 1.817 ( 2.539 4.397 2.314) 5.580 2.424 ( -0.182 -0.316 4.132) 4.148 2.847 ( -2.036 -3.527 3.365) 5.283 3.030 ( 13.119 22.722 -5.093) 26.727 5.029 ( 22.119 38.312 5.506) 44.580 5.460 ( -5.456 -9.449 -2.767) 11.257 7.432 ( -2.681 -4.644 -3.739) 6.537 7.646 ( 3.455 5.985 -0.091) 6.911 8.912 ( -2.217 -3.841 2.547) 5.114 9.550 ( -8.697 -15.063 -3.223) 17.690 9.868 ( -7.670 -13.284 -3.424) 15.717 10.854 ( -5.078 -8.795 1.963) 10.344 11.181 ( -1.057 -1.832 2.580) 3.336 12.012 ( 6.638 11.497 5.108) 14.224 14.438 ( -2.550 -4.417 0.425) 5.118 15.263 ( 3.043 5.271 -3.669) 7.107 15.680 ( 7.046 12.205 -2.062) 14.243 16.335 ( -7.124 -12.340 -10.088) 17.458 17.106 ( -6.677 -11.565 8.260) 15.702 17.980 ( 10.328 17.889 -7.946) 22.132 18.121 ( -2.643 -4.578 -0.271) 5.293 20.032 ( -0.776 -1.343 -19.191) 19.253 20.040 ( -1.003 -1.737 -0.715) 2.130 20.919 ( 0.546 0.946 -0.100) 1.097 21.141 ( -0.497 -0.861 9.913) 9.962 21.273 ( 1.758 3.044 2.377) 4.243 ======================= Grid point 185 (33/162) ======================= q-point: ( 0.25 0.17 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( 0.328 2.304 0.871) 2.485 2.075 ( 14.911 18.977 -1.712) 24.195 2.372 ( -1.730 -3.245 6.470) 7.442 2.847 ( 1.736 5.482 3.542) 6.754 3.488 ( 6.944 31.085 -0.571) 31.856 5.196 ( -14.071 -10.954 -2.649) 18.027 5.792 ( 32.086 22.100 3.916) 39.157 7.324 ( -1.168 -8.692 -4.293) 9.764 7.759 ( 3.771 1.845 0.858) 4.285 8.903 ( -1.574 7.819 3.241) 8.609 9.208 ( -9.122 -20.935 -4.606) 23.296 9.613 ( -7.672 -10.237 -3.870) 13.365 10.602 ( -20.061 3.855 3.245) 20.684 11.209 ( 10.866 -12.123 3.618) 16.678 12.219 ( 3.727 12.201 6.860) 14.485 14.376 ( 1.151 -6.370 0.495) 6.492 15.299 ( -7.660 12.510 -3.260) 15.027 15.870 ( 5.493 -4.824 -0.557) 7.332 16.138 ( 2.042 -13.762 -8.919) 16.526 16.958 ( 0.352 -3.341 12.171) 12.627 17.994 ( -5.351 -7.263 0.069) 9.022 18.341 ( 9.085 21.296 -6.536) 24.058 19.823 ( -17.240 4.225 -7.296) 19.191 20.143 ( 11.228 -9.124 -9.620) 17.374 20.940 ( 0.398 1.536 0.899) 1.824 21.106 ( -2.577 0.715 7.529) 7.989 21.356 ( 4.156 1.226 -0.569) 4.370 ======================= Grid point 186 (34/162) ======================= q-point: ( 0.33 0.17 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( 0.819 1.881 1.816) 2.740 2.222 ( -2.145 -3.254 -3.006) 4.922 2.476 ( 6.677 6.089 0.272) 9.041 3.041 ( 5.152 19.357 6.392) 21.027 3.859 ( 1.401 32.353 1.943) 32.441 4.770 ( -22.924 -9.994 -1.124) 25.033 6.543 ( 38.429 7.190 1.640) 39.130 7.243 ( 3.254 -11.219 -5.224) 12.797 7.721 ( -4.531 -13.421 1.402) 14.235 8.860 ( -5.077 -7.791 -4.051) 10.143 9.018 ( -2.366 4.959 3.247) 6.382 9.458 ( -4.464 3.726 -3.992) 7.053 10.284 ( -21.624 6.074 3.705) 22.764 11.277 ( 12.150 -15.096 4.181) 19.824 12.367 ( -0.187 11.079 7.743) 13.518 14.346 ( 3.179 -7.474 0.216) 8.125 15.273 ( -9.351 12.593 -2.408) 15.869 15.784 ( -3.875 -5.079 4.363) 7.736 16.116 ( 12.143 -21.739 -8.474) 26.303 17.066 ( 8.384 5.959 8.515) 13.353 17.804 ( -6.793 -9.080 0.828) 11.370 18.693 ( 5.021 24.410 -4.867) 25.392 19.554 ( -16.884 1.605 -6.702) 18.237 20.227 ( 9.721 -10.662 -8.809) 16.905 20.961 ( -0.030 1.977 1.937) 2.768 21.074 ( -1.968 0.652 6.184) 6.523 21.422 ( 2.270 0.766 -2.039) 3.146 ======================= Grid point 187 (35/162) ======================= q-point: ( 0.42 0.17 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.906 ( -0.810 1.403 2.876) 3.301 2.175 ( 1.642 -2.845 -1.995) 3.843 2.556 ( -0.223 0.386 -2.967) 3.000 3.220 ( -10.888 18.859 6.403) 22.698 4.197 ( -16.124 27.928 3.416) 32.428 4.330 ( 1.404 -2.432 -0.917) 2.954 7.112 ( 11.038 -19.118 1.018) 22.099 7.190 ( 5.933 -10.275 -6.371) 13.467 7.432 ( 6.940 -12.020 1.240) 13.935 8.794 ( 0.954 -1.652 -3.601) 4.075 9.001 ( -1.207 2.091 2.106) 3.203 9.491 ( -10.307 17.852 -2.167) 20.728 10.090 ( -6.140 10.634 3.747) 12.838 11.309 ( 9.852 -17.064 4.352) 20.178 12.421 ( -4.985 8.634 7.988) 12.775 14.336 ( 4.334 -7.506 -0.020) 8.667 15.250 ( -7.097 12.292 -1.489) 14.272 15.723 ( 0.058 -0.100 5.825) 5.826 16.108 ( 13.409 -23.225 -8.053) 28.001 17.215 ( -0.736 1.274 6.126) 6.300 17.663 ( 2.580 -4.468 1.488) 5.370 18.904 ( -12.425 21.521 -2.967) 25.027 19.370 ( -2.115 3.663 -7.952) 9.007 20.258 ( 7.156 -12.394 -8.467) 16.629 20.972 ( -1.059 1.834 2.359) 3.170 21.058 ( -0.623 1.078 5.856) 5.987 21.446 ( 0.084 -0.145 -2.515) 2.520 ======================= Grid point 194 (36/162) ======================= q-point: (-0.08 0.17 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( -7.388 12.796 22.226) 26.689 1.104 ( -14.468 25.060 1.584) 28.980 2.007 ( -16.554 28.673 8.377) 34.152 2.960 ( -0.799 1.384 2.478) 2.949 3.218 ( 4.897 -8.482 15.764) 18.559 3.408 ( -10.184 17.640 -10.901) 23.102 5.670 ( -0.049 0.085 0.467) 0.477 7.388 ( -0.881 1.525 -5.004) 5.305 7.486 ( -1.581 2.738 -1.908) 3.692 9.283 ( 5.898 -10.216 2.346) 12.027 9.945 ( 1.052 -1.822 3.283) 3.899 10.336 ( 5.332 -9.236 -5.322) 11.919 10.996 ( -3.606 6.245 -8.003) 10.772 11.314 ( 5.636 -9.762 1.116) 11.327 11.608 ( -3.117 5.399 -0.522) 6.257 14.599 ( 3.014 -5.220 -1.665) 6.253 15.051 ( -7.594 13.153 -2.622) 15.412 15.175 ( -3.269 5.662 0.575) 6.563 16.986 ( 3.815 -6.608 -4.848) 9.040 17.129 ( -2.606 4.514 -13.374) 14.354 17.335 ( -18.863 32.673 -54.939) 66.646 18.194 ( -0.670 1.161 0.390) 1.396 20.045 ( 12.231 -21.184 7.756) 25.662 20.049 ( 0.117 -0.203 -0.907) 0.937 20.890 ( 2.154 -3.731 -0.883) 4.398 20.900 ( 0.399 -0.691 -0.155) 0.813 21.574 ( -3.470 6.010 15.972) 17.415 ======================= Grid point 198 (37/162) ======================= q-point: ( 0.25 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( 1.084 1.877 1.239) 2.496 2.224 ( -2.721 -4.713 -1.236) 5.580 2.446 ( 5.559 9.628 0.434) 11.126 3.081 ( 11.022 19.091 5.747) 22.781 4.052 ( 12.925 22.387 0.339) 25.853 4.961 ( -7.114 -12.321 -3.809) 14.728 6.188 ( 11.591 20.077 4.188) 23.558 7.152 ( -4.518 -7.825 -5.731) 10.700 7.690 ( -6.542 -11.332 1.613) 13.184 8.862 ( -6.421 -11.121 -5.017) 13.787 9.063 ( 1.891 3.276 3.421) 5.100 9.517 ( 2.538 4.396 -3.371) 6.093 10.607 ( -3.498 -6.058 3.379) 7.769 11.001 ( -3.913 -6.777 4.742) 9.150 12.424 ( 4.810 8.331 7.990) 12.506 14.279 ( -2.048 -3.546 -0.203) 4.100 15.488 ( 3.257 5.641 -3.452) 7.372 15.726 ( -4.677 -8.101 0.351) 9.361 15.900 ( -5.104 -8.840 -4.355) 11.098 17.018 ( 4.646 8.047 9.935) 13.603 17.818 ( -6.012 -10.412 0.834) 12.052 18.761 ( 12.212 21.151 -6.482) 25.269 19.888 ( -3.474 -6.018 -2.555) 7.404 19.919 ( -2.994 -5.187 -11.792) 13.226 20.971 ( 0.935 1.620 2.536) 3.151 21.093 ( -0.793 -1.373 8.411) 8.559 21.408 ( 1.741 3.015 -4.833) 5.957 ======================= Grid point 199 (38/162) ======================= q-point: ( 0.33 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( 0.693 3.206 2.278) 3.993 2.122 ( -1.211 -5.846 1.254) 6.100 2.558 ( 1.375 2.313 -3.728) 4.598 3.492 ( 5.588 24.735 4.773) 25.804 4.246 ( -0.401 -3.382 0.737) 3.485 4.790 ( -14.121 18.178 -2.468) 23.150 6.635 ( 25.151 4.627 2.722) 25.718 7.041 ( 0.812 -8.151 -7.030) 10.795 7.309 ( -12.026 -26.064 1.460) 28.742 8.789 ( 0.671 1.789 -3.460) 3.952 9.004 ( -2.805 -5.569 -0.277) 6.242 9.778 ( 4.765 23.632 0.374) 24.111 10.361 ( -17.310 0.575 3.451) 17.660 10.958 ( 9.619 -16.330 5.079) 19.621 12.537 ( -0.013 6.062 8.458) 10.406 14.233 ( 0.898 -3.903 -0.839) 4.092 15.469 ( -8.271 6.721 -0.912) 10.696 15.694 ( 7.802 -6.802 -0.318) 10.356 15.775 ( -0.486 -8.685 -2.000) 8.926 17.211 ( 5.827 8.554 6.371) 12.154 17.607 ( -4.686 -10.647 2.105) 11.821 19.160 ( 8.148 22.856 -5.791) 24.946 19.584 ( -19.754 1.281 -6.589) 20.864 19.954 ( 11.102 -16.567 -7.099) 21.169 21.000 ( 0.151 1.983 3.901) 4.379 21.066 ( -0.641 -1.092 7.153) 7.264 21.452 ( 0.479 1.618 -5.467) 5.722 ======================= Grid point 205 (39/162) ======================= q-point: (-0.17 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( -12.495 16.587 14.917) 25.569 1.555 ( -12.433 16.490 1.369) 20.698 2.338 ( -3.954 5.235 0.921) 6.625 2.972 ( 5.669 6.361 5.319) 10.044 2.996 ( 3.975 -1.570 7.939) 9.017 4.162 ( -38.951 32.112 -2.442) 50.540 5.636 ( 3.898 -1.933 0.402) 4.370 7.448 ( -3.154 2.464 -4.795) 6.246 7.528 ( -2.023 0.505 -1.773) 2.737 9.054 ( 9.474 -8.178 2.792) 12.823 9.886 ( 1.223 -6.416 2.973) 7.176 10.104 ( 10.260 -9.975 -3.684) 14.776 10.884 ( 20.955 0.945 -1.967) 21.068 11.269 ( -14.193 -13.280 -0.161) 19.438 11.727 ( -2.346 9.233 0.208) 9.529 14.528 ( -1.741 -7.919 -1.195) 8.196 15.123 ( 10.718 18.374 0.103) 21.272 15.505 ( -22.793 4.343 -1.102) 23.229 16.784 ( 12.220 -3.723 -2.222) 12.966 17.214 ( -8.090 -9.048 -6.578) 13.805 17.716 ( -1.624 15.701 -19.686) 25.233 18.194 ( 1.026 -1.155 -0.182) 1.556 19.768 ( 6.201 -5.547 -8.517) 11.906 20.067 ( -4.388 -2.994 -3.952) 6.621 20.837 ( -0.418 -4.218 -3.099) 5.251 20.886 ( 0.222 -1.007 -0.910) 1.375 21.660 ( 0.400 6.748 15.021) 16.472 ======================= Grid point 211 (40/162) ======================= q-point: ( 0.33 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( -2.478 -4.293 2.365) 5.492 2.013 ( 2.478 4.293 2.365) 5.492 2.579 ( -0.000 -0.000 -4.294) 4.294 3.954 ( -10.510 -18.203 2.102) 21.124 3.954 ( 10.510 18.203 2.102) 21.124 5.062 ( -0.000 -0.000 -3.253) 3.253 6.838 ( -9.024 -15.629 2.493) 18.218 6.838 ( 9.024 15.629 2.493) 18.218 6.958 ( -0.000 -0.000 -7.904) 7.904 8.879 ( -3.109 -5.386 -2.135) 6.575 8.879 ( 3.109 5.386 -2.135) 6.575 10.215 ( -8.601 -14.897 2.062) 17.324 10.215 ( 8.601 14.897 2.062) 17.324 10.758 ( -0.000 -0.000 6.119) 6.119 12.598 ( -0.000 -0.000 8.676) 8.676 14.194 ( -0.000 -0.000 -1.296) 1.296 15.556 ( -2.077 -3.597 -1.270) 4.343 15.556 ( 2.077 3.597 -1.270) 4.343 15.738 ( -0.000 -0.000 0.622) 0.622 17.398 ( -5.151 -8.921 4.032) 11.062 17.398 ( 5.151 8.921 4.032) 11.062 19.562 ( -0.000 -0.000 -7.004) 7.004 19.606 ( -4.327 -7.494 -6.088) 10.580 19.606 ( 4.327 7.494 -6.088) 10.580 21.037 ( -0.866 -1.500 5.778) 6.032 21.037 ( 0.866 1.500 5.778) 6.032 21.470 ( -0.000 -0.000 -6.053) 6.053 ======================= Grid point 218 (41/162) ======================= q-point: (-0.25 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( -12.097 14.847 4.485) 19.670 1.836 ( -8.295 8.003 2.304) 11.755 2.363 ( 0.737 0.608 0.796) 1.244 2.863 ( 5.891 2.569 5.181) 8.255 3.129 ( -2.680 18.397 7.194) 19.935 5.181 ( -38.008 23.015 -0.218) 44.434 5.498 ( 3.686 0.298 2.051) 4.229 7.493 ( -0.561 0.364 -1.665) 1.794 7.618 ( -7.986 0.499 -3.731) 8.829 8.834 ( 9.092 -2.932 2.567) 9.892 9.724 ( 8.026 -15.412 0.803) 17.395 9.847 ( 6.759 -8.323 -1.254) 10.795 10.456 ( 28.079 0.729 -1.388) 28.122 11.403 ( -16.042 -13.660 1.383) 21.115 11.865 ( -1.567 11.773 0.998) 11.919 14.492 ( -3.778 -9.129 -0.898) 9.921 15.118 ( 9.838 16.700 1.232) 19.422 15.917 ( -16.459 4.876 -0.078) 17.166 16.551 ( 7.769 -2.841 2.043) 8.520 17.189 ( -6.076 -19.351 3.030) 20.508 17.861 ( 2.781 20.062 -9.996) 22.586 18.127 ( 3.959 -3.924 -0.922) 5.650 19.641 ( 7.164 0.075 -9.577) 11.961 20.150 ( -9.165 -4.439 -10.159) 14.384 20.819 ( -2.119 -4.015 -4.420) 6.336 20.873 ( -0.145 -1.420 -1.555) 2.111 21.700 ( 2.329 6.445 12.823) 14.540 ======================= Grid point 219 (42/162) ======================= q-point: (-0.17 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( -11.022 19.091 6.228) 22.908 1.811 ( -4.894 8.477 1.534) 9.908 2.373 ( -0.128 0.221 1.880) 1.898 2.922 ( 0.208 -0.360 7.124) 7.136 3.247 ( -9.333 16.166 4.893) 19.297 4.909 ( -24.201 41.917 0.522) 48.404 5.555 ( 3.978 -6.891 1.179) 8.044 7.501 ( 1.543 -2.672 -0.642) 3.151 7.536 ( -3.272 5.667 -4.785) 8.107 8.906 ( 3.595 -6.227 2.032) 7.472 9.691 ( 7.618 -13.196 2.857) 15.503 9.881 ( 7.004 -12.131 -2.710) 14.268 10.881 ( 5.673 -9.825 3.038) 11.745 11.024 ( 1.851 -3.206 -4.061) 5.495 11.911 ( -5.381 9.320 0.609) 10.779 14.411 ( 2.481 -4.297 -0.760) 5.019 15.373 ( -2.761 4.783 1.773) 5.800 15.700 ( -10.037 17.385 -1.327) 20.118 16.653 ( 5.601 -9.702 3.024) 11.604 16.991 ( 6.804 -11.785 2.825) 13.898 18.006 ( -8.154 14.123 -10.806) 19.563 18.136 ( 2.763 -4.785 -0.148) 5.528 19.740 ( -0.288 0.498 -17.756) 17.766 20.006 ( 1.297 -2.247 -2.414) 3.544 20.779 ( 0.994 -1.722 -4.964) 5.348 20.865 ( 0.627 -1.085 -1.965) 2.331 21.755 ( -1.858 3.219 13.277) 13.788 ======================= Grid point 231 (43/162) ======================= q-point: (-0.33 0.42 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( -1.645 4.022 1.439) 4.578 2.034 ( -6.074 -0.393 -7.438) 9.611 2.441 ( -5.406 9.638 6.036) 12.592 2.821 ( 6.292 9.478 3.959) 12.046 3.425 ( -7.883 23.660 10.837) 27.192 5.057 ( 22.062 -8.470 2.473) 23.761 6.308 ( -46.764 21.202 2.009) 51.385 7.507 ( -2.533 -2.513 -0.468) 3.599 7.761 ( -7.817 -1.786 -3.303) 8.672 8.702 ( 6.890 3.643 0.981) 7.855 9.363 ( 13.693 -17.178 0.259) 21.970 9.646 ( 6.863 -12.140 0.346) 13.950 10.018 ( 25.136 7.134 -2.546) 26.253 11.531 ( -15.128 -15.015 2.883) 21.508 11.999 ( 0.255 12.292 1.513) 12.388 14.473 ( -4.692 -9.485 -0.773) 10.610 15.117 ( 9.153 15.872 1.577) 18.390 15.970 ( 8.352 -2.801 7.723) 11.716 16.660 ( -17.510 3.195 0.680) 17.812 17.094 ( -5.796 -18.308 6.663) 20.327 17.953 ( 6.067 -3.082 -1.409) 6.949 18.047 ( 4.636 18.235 -10.716) 21.652 19.516 ( 7.760 1.278 -5.828) 9.789 20.264 ( -9.261 -5.648 -12.361) 16.446 20.824 ( -2.768 -3.714 -4.467) 6.435 20.863 ( -0.552 -1.909 -2.197) 2.962 21.712 ( 3.283 6.043 10.582) 12.621 ======================= Grid point 232 (44/162) ======================= q-point: (-0.25 0.42 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( -0.215 5.195 0.175) 5.202 1.942 ( -6.026 2.822 -4.005) 7.767 2.446 ( -5.008 9.075 7.355) 12.709 2.969 ( -1.011 9.164 7.771) 12.058 3.591 ( -5.702 26.155 3.958) 27.060 5.315 ( 14.964 -4.556 2.761) 15.884 5.781 ( -36.498 23.033 3.281) 43.283 7.437 ( 0.294 -5.639 0.417) 5.662 7.656 ( -4.672 2.669 -3.640) 6.496 8.826 ( 3.226 1.968 -0.391) 3.799 9.367 ( 10.461 -20.221 2.287) 22.882 9.664 ( 5.920 -7.898 -1.271) 9.952 10.539 ( 26.102 5.671 -0.066) 26.711 11.098 ( -16.278 -17.030 -0.692) 23.568 12.084 ( -3.339 10.283 0.927) 10.851 14.349 ( -0.705 -5.594 -0.701) 5.682 15.408 ( 6.241 11.802 1.647) 13.452 16.009 ( -5.674 4.137 4.524) 8.353 16.468 ( 0.243 -6.815 5.902) 9.019 16.828 ( -3.433 -13.090 6.676) 15.090 18.000 ( 5.849 -7.818 -0.276) 9.768 18.277 ( -3.461 20.217 -11.268) 23.403 19.695 ( 8.871 4.364 -11.619) 15.256 20.025 ( -9.005 -7.949 -7.866) 14.358 20.763 ( -0.940 -1.692 -5.556) 5.883 20.844 ( 0.329 -1.551 -3.055) 3.442 21.796 ( 0.647 3.485 11.326) 11.867 ======================= Grid point 244 (45/162) ======================= q-point: (-0.42 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( -0.261 0.801 2.668) 2.798 2.054 ( -2.217 -4.883 -10.119) 11.453 2.612 ( -2.160 6.097 2.529) 6.945 2.826 ( 8.732 16.536 3.589) 19.041 3.857 ( -11.527 26.385 15.097) 32.511 4.548 ( 24.128 -8.939 3.130) 25.921 7.218 ( -39.515 9.867 1.717) 40.764 7.525 ( -3.333 -4.544 -0.117) 5.636 7.745 ( 5.213 -13.901 -0.692) 14.862 8.654 ( 6.132 8.188 -2.101) 10.443 8.997 ( 8.217 -11.316 0.351) 13.989 9.423 ( 9.594 1.583 0.495) 9.737 9.791 ( 9.237 5.251 -2.661) 10.953 11.610 ( -12.340 -16.978 3.603) 21.296 12.083 ( 3.630 10.972 1.738) 11.687 14.465 ( -5.188 -9.431 -0.774) 10.791 15.118 ( 8.974 15.559 1.426) 18.018 15.808 ( 5.402 -0.990 12.327) 13.495 16.940 ( -14.034 -12.571 3.783) 19.217 17.081 ( -7.320 -3.322 3.083) 8.610 17.768 ( 5.182 -7.136 -0.407) 8.829 18.156 ( 8.103 20.939 -12.902) 25.896 19.424 ( 4.767 2.771 -3.597) 6.583 20.337 ( -6.553 -7.397 -12.305) 15.782 20.835 ( -2.617 -3.576 -3.560) 5.684 20.854 ( -0.882 -2.255 -3.028) 3.877 21.712 ( 3.482 5.914 9.164) 11.449 ======================= Grid point 245 (46/162) ======================= q-point: (-0.33 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( 0.609 0.747 1.692) 1.947 1.983 ( -1.267 -3.502 -7.971) 8.798 2.631 ( -3.513 7.517 4.440) 9.410 3.136 ( 1.468 22.344 7.391) 23.581 3.958 ( -7.566 27.481 5.717) 29.071 4.917 ( 24.936 -4.906 5.519) 26.006 6.608 ( -39.763 9.650 4.517) 41.166 7.393 ( -3.037 -7.993 1.017) 8.611 7.682 ( 1.163 -7.928 -0.686) 8.042 8.814 ( 3.657 5.659 -3.945) 7.808 9.001 ( 8.574 -16.097 0.759) 18.254 9.560 ( 2.915 3.757 0.687) 4.804 10.159 ( 24.394 6.681 -2.012) 25.372 11.195 ( -15.440 -19.018 0.792) 24.509 12.214 ( -0.143 9.432 1.077) 9.494 14.319 ( -2.509 -6.159 -0.856) 6.706 15.414 ( 7.695 13.646 1.785) 15.768 15.916 ( 8.961 -2.355 12.897) 15.880 16.526 ( -13.160 -18.066 9.533) 24.299 16.909 ( -11.374 3.331 1.313) 11.924 17.792 ( 7.268 -10.291 -0.356) 12.603 18.503 ( 3.057 23.631 -14.408) 27.845 19.569 ( 9.002 3.355 -4.822) 10.749 20.106 ( -9.799 -10.087 -10.425) 17.506 20.771 ( -1.717 -1.741 -5.344) 5.877 20.824 ( -0.110 -1.993 -4.134) 4.590 21.808 ( 1.896 3.780 9.833) 10.704 ======================= Grid point 246 (47/162) ======================= q-point: (-0.25 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.907 ( 0.281 -0.487 2.022) 2.099 1.949 ( 0.761 -1.319 -7.680) 7.829 2.638 ( -4.466 7.736 5.199) 10.335 3.257 ( -11.294 19.562 10.466) 24.895 4.056 ( -10.982 19.022 0.645) 21.974 5.163 ( 5.971 -10.342 4.473) 12.752 6.248 ( -14.302 24.772 7.053) 29.461 7.319 ( 3.124 -5.410 1.279) 6.377 7.650 ( 3.128 -5.418 -0.494) 6.276 8.876 ( -0.915 1.585 -4.693) 5.037 8.990 ( 9.156 -15.859 1.108) 18.346 9.603 ( -1.855 3.213 0.422) 3.734 10.586 ( 4.051 -7.017 2.292) 8.421 10.795 ( 4.622 -8.006 -4.139) 10.129 12.260 ( -4.216 7.302 0.832) 8.472 14.267 ( 1.684 -2.917 -0.801) 3.463 15.571 ( -2.979 5.159 0.769) 6.007 16.023 ( 2.564 -4.440 13.758) 14.682 16.264 ( 5.462 -9.461 11.850) 16.117 16.816 ( -5.563 9.636 0.499) 11.138 17.804 ( 6.797 -11.773 -0.412) 13.600 18.653 ( -10.042 17.394 -13.405) 24.147 19.754 ( 0.886 -1.535 -12.103) 12.232 19.876 ( 2.381 -4.123 -3.718) 6.041 20.747 ( 0.078 -0.135 -6.150) 6.152 20.813 ( 0.881 -1.526 -4.500) 4.833 21.844 ( -0.908 1.573 10.021) 10.185 ======================= Grid point 256 (48/162) ======================= q-point: (-0.42 0.58 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( 0.112 0.193 1.978) 1.991 1.971 ( -1.960 -3.395 -7.811) 8.739 2.694 ( 1.650 2.859 2.926) 4.411 3.251 ( 13.467 23.325 5.256) 27.442 4.392 ( -0.622 -1.078 1.687) 2.097 4.437 ( 14.548 25.198 12.767) 31.774 7.165 ( -10.151 -17.582 3.449) 20.593 7.369 ( -4.832 -8.369 1.398) 9.764 7.492 ( -4.598 -7.964 3.206) 9.739 8.805 ( 3.024 5.237 -6.045) 8.550 8.843 ( -2.321 -4.020 -0.771) 4.705 9.597 ( 7.985 13.831 2.031) 16.099 9.937 ( 5.987 10.369 -3.217) 12.398 11.235 ( -12.185 -21.106 1.199) 24.400 12.263 ( 4.164 7.212 1.110) 8.401 14.311 ( -3.500 -6.063 -0.958) 7.066 15.415 ( 8.080 13.994 1.920) 16.273 15.816 ( 1.178 2.041 14.594) 14.783 16.537 ( -12.572 -21.775 11.704) 27.734 17.083 ( -0.100 -0.173 -0.576) 0.610 17.638 ( -3.238 -5.609 -0.333) 6.485 18.602 ( 12.487 21.628 -16.551) 29.961 19.500 ( 2.843 4.925 -2.011) 6.032 20.141 ( -6.970 -12.073 -10.535) 17.473 20.779 ( -1.208 -2.093 -4.877) 5.443 20.813 ( -1.057 -1.831 -4.864) 5.304 21.810 ( 2.262 3.918 9.274) 10.319 ======================= Grid point 258 (49/162) ======================= q-point: (-0.33 0.58 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.894 ( 0.470 -0.185 0.663) 0.834 1.923 ( -0.332 -2.286 -5.240) 5.727 2.731 ( -0.676 3.110 3.577) 4.788 3.626 ( -0.903 25.488 8.055) 26.745 4.291 ( -5.082 0.989 2.392) 5.703 4.960 ( 15.167 10.959 4.586) 19.265 6.752 ( -23.502 7.498 8.035) 25.945 7.242 ( -0.947 -6.315 1.525) 6.565 7.399 ( 8.952 -20.064 5.059) 22.546 8.807 ( 1.468 -3.377 -2.127) 4.252 8.861 ( 1.875 -1.121 -6.031) 6.414 9.799 ( -5.583 19.065 0.764) 19.880 10.263 ( 23.003 3.246 -1.288) 23.267 10.791 ( -14.157 -21.482 -1.791) 25.790 12.361 ( -0.092 5.245 0.744) 5.298 14.230 ( -0.697 -2.999 -0.982) 3.232 15.631 ( 3.092 7.943 0.637) 8.547 15.892 ( 6.039 0.376 16.684) 17.747 16.172 ( -7.052 -15.323 15.068) 22.618 17.064 ( -7.481 10.711 -1.213) 13.121 17.563 ( 5.172 -12.769 -0.630) 13.791 18.927 ( 0.401 18.390 -17.809) 25.603 19.631 ( 8.532 2.807 -3.484) 9.633 19.884 ( -8.264 -11.743 -6.623) 15.813 20.752 ( -0.669 -0.222 -6.191) 6.231 20.787 ( 0.149 -1.722 -5.657) 5.915 21.863 ( 0.543 1.801 9.288) 9.476 ======================= Grid point 271 (50/162) ======================= q-point: (-0.33 -0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( -0.294 -0.509 -1.921) 2.009 1.896 ( 0.294 0.509 -1.921) 2.009 2.761 ( 0.000 0.000 3.538) 3.538 4.076 ( -9.454 -16.375 6.130) 19.877 4.076 ( 9.454 16.375 6.130) 19.877 5.128 ( 0.000 0.000 -0.370) 0.370 6.994 ( -8.968 -15.532 9.147) 20.133 6.994 ( 8.968 15.532 9.147) 20.133 7.177 ( 0.000 0.000 1.587) 1.587 8.814 ( -1.281 -2.218 -4.677) 5.333 8.814 ( 1.281 2.218 -4.677) 5.333 10.194 ( -7.824 -13.552 0.921) 15.676 10.194 ( 7.824 13.552 0.921) 15.676 10.485 ( 0.000 0.000 -5.681) 5.681 12.413 ( 0.000 0.000 0.611) 0.611 14.200 ( 0.000 0.000 -1.052) 1.052 15.711 ( 0.000 0.000 -0.524) 0.524 15.956 ( -3.368 -5.834 17.596) 18.841 15.956 ( 3.368 5.834 17.596) 18.841 17.303 ( -6.573 -11.385 -1.103) 13.193 17.303 ( 6.573 11.385 -1.103) 13.193 19.142 ( 0.000 0.000 -22.419) 22.419 19.697 ( -2.815 -4.876 -2.343) 6.099 19.697 ( 2.815 4.876 -2.343) 6.099 20.760 ( -0.473 -0.819 -6.392) 6.462 20.760 ( 0.473 0.819 -6.392) 6.462 21.880 ( 0.000 0.000 9.099) 9.099 ======================= Grid point 314 (51/162) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.530 ( 0.000 -0.000 13.060) 13.060 0.530 ( 0.000 -0.000 13.060) 13.060 1.788 ( 0.000 -0.000 41.255) 41.255 2.712 ( 0.000 0.000 -10.951) 10.951 2.712 ( -0.000 -0.000 -10.951) 10.951 4.249 ( 0.000 0.000 -2.554) 2.554 5.681 ( 0.000 0.000 1.781) 1.781 7.296 ( 0.000 -0.000 -5.300) 5.300 7.296 ( 0.000 0.000 -5.300) 5.300 9.565 ( 0.000 0.000 1.637) 1.637 10.001 ( 0.000 0.000 2.999) 2.999 10.001 ( 0.000 0.000 2.999) 2.999 10.582 ( 0.000 0.000 -2.633) 2.633 11.518 ( 0.000 -0.000 0.198) 0.198 11.518 ( 0.000 -0.000 0.198) 0.198 14.746 ( 0.000 0.000 -2.689) 2.689 14.746 ( 0.000 -0.000 -2.689) 2.689 14.862 ( 0.000 -0.000 -6.063) 6.063 14.862 ( 0.000 0.000 -6.063) 6.063 16.837 ( 0.000 0.000 -13.630) 13.630 16.837 ( 0.000 -0.000 -13.630) 13.630 18.181 ( 0.000 0.000 2.158) 2.158 20.025 ( 0.000 0.000 -1.437) 1.437 20.865 ( 0.000 -0.000 -1.488) 1.488 21.166 ( 0.000 0.000 6.859) 6.859 21.166 ( 0.000 0.000 6.859) 6.859 21.425 ( 0.000 0.000 4.190) 4.190 ======================= Grid point 315 (52/162) ======================= q-point: ( 0.08 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( 17.100 21.964 7.915) 28.940 1.066 ( 27.389 7.921 13.381) 31.496 1.960 ( 17.004 7.243 32.683) 37.547 2.613 ( 5.749 -13.763 -13.301) 19.985 3.008 ( 12.698 22.552 -8.528) 27.250 3.888 ( -23.740 -14.537 7.145) 28.739 5.679 ( -0.163 -0.563 1.174) 1.312 7.291 ( -0.804 3.732 -5.881) 7.012 7.361 ( 4.033 0.580 -4.791) 6.290 9.474 ( -6.751 -4.554 2.668) 8.569 9.988 ( 1.776 -5.169 2.747) 6.117 10.255 ( 4.475 6.185 -6.767) 10.202 10.680 ( 10.987 9.438 -4.016) 15.031 11.449 ( -4.053 -4.799 0.201) 6.284 11.546 ( 1.319 2.971 0.484) 3.286 14.706 ( -6.859 9.240 -3.388) 11.996 14.751 ( 4.072 -8.100 -2.706) 9.461 15.012 ( 15.802 0.397 -4.560) 16.452 15.502 ( 45.136 30.798 -27.118) 61.002 16.750 ( -1.583 -9.092 -12.782) 15.765 16.936 ( 2.654 9.762 -13.468) 16.845 18.193 ( 0.904 0.378 1.736) 1.993 20.029 ( 0.237 0.317 -1.330) 1.388 20.664 ( -20.676 -17.452 5.847) 27.681 20.935 ( -3.395 -3.109 1.926) 4.990 21.145 ( -11.320 11.765 7.196) 17.842 21.582 ( 11.834 -4.455 5.809) 13.915 ======================= Grid point 316 (53/162) ======================= q-point: ( 0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 724 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( 16.954 11.514 9.243) 22.482 1.435 ( 11.437 11.425 14.284) 21.572 2.285 ( 7.187 2.056 6.853) 10.141 2.684 ( 17.856 -10.456 -2.748) 20.874 3.346 ( -15.030 -9.227 3.191) 17.922 3.704 ( 30.656 30.099 4.257) 43.173 5.651 ( -1.855 -2.731 -0.128) 3.304 7.333 ( 0.749 4.585 -5.958) 7.555 7.432 ( 3.545 1.121 -4.244) 5.642 9.265 ( -10.445 -6.957 3.821) 13.118 9.959 ( 1.036 -5.855 2.147) 6.322 10.166 ( -10.031 -4.739 -5.379) 12.330 10.872 ( -5.634 1.987 -3.265) 6.808 11.402 ( 5.550 1.454 -0.040) 5.737 11.619 ( 2.673 5.038 1.466) 5.889 14.689 ( -6.189 9.977 -2.268) 11.958 14.761 ( 7.597 -10.710 -2.342) 13.338 15.347 ( 18.089 8.295 -2.920) 20.113 16.507 ( 20.844 7.860 -29.143) 36.682 16.667 ( 17.082 2.713 -18.611) 25.408 17.123 ( 5.251 14.133 -12.097) 19.330 18.204 ( -0.072 -0.371 0.943) 1.016 20.026 ( -5.291 -3.030 1.406) 6.257 20.080 ( -19.268 -12.730 3.937) 23.427 20.896 ( -1.506 0.019 -0.461) 1.575 21.056 ( -10.596 9.271 6.634) 15.564 21.694 ( 8.615 -7.589 6.755) 13.321 ======================= Grid point 317 (54/162) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( 10.006 4.901 8.999) 14.322 1.764 ( 10.135 11.477 5.160) 16.158 2.330 ( 1.729 -0.684 -0.641) 1.967 2.867 ( 5.997 -6.475 3.092) 9.352 3.104 ( 2.082 -2.902 9.266) 9.930 4.713 ( 45.074 32.475 2.845) 55.627 5.541 ( -5.879 -6.723 -0.526) 8.946 7.390 ( 2.083 1.340 -4.864) 5.458 7.526 ( 4.696 4.956 -4.480) 8.166 9.012 ( -10.565 -6.638 4.956) 13.426 9.859 ( -8.614 -11.796 -3.476) 15.015 9.932 ( -5.702 -4.286 -0.479) 7.149 10.573 ( -21.641 -7.218 -1.014) 22.835 11.603 ( 11.569 2.692 2.275) 12.094 11.736 ( 2.046 10.612 3.287) 11.296 14.686 ( -6.635 11.334 -0.705) 13.153 14.791 ( 9.295 -12.843 -1.293) 15.907 15.763 ( 18.518 10.422 -1.788) 21.324 16.430 ( -0.101 -12.063 -10.260) 15.836 17.233 ( 19.145 4.550 -16.651) 25.778 17.367 ( 4.384 17.163 -9.042) 19.889 18.170 ( -2.857 -1.938 0.377) 3.473 19.592 ( -15.288 -8.901 -3.641) 18.061 20.047 ( -0.090 1.550 -3.861) 4.161 20.871 ( -2.009 0.959 -1.126) 2.494 20.984 ( -7.460 7.892 5.002) 11.956 21.737 ( 5.739 -8.235 6.239) 11.819 ======================= Grid point 318 (55/162) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 724 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( 4.988 3.865 -0.815) 6.363 1.970 ( 3.491 6.076 1.187) 7.107 2.395 ( 5.721 2.250 3.653) 7.151 2.787 ( -1.657 -6.058 2.627) 6.808 3.340 ( 17.857 5.045 14.055) 23.278 5.234 ( -13.037 -9.856 0.357) 16.347 5.857 ( 46.111 26.556 2.756) 53.283 7.434 ( 3.358 -1.338 -3.717) 5.185 7.689 ( 6.162 8.214 -4.499) 11.210 8.800 ( -7.947 -3.557 5.436) 10.264 9.518 ( -14.370 -12.831 -4.482) 19.779 9.806 ( -2.102 -14.668 -1.127) 14.860 10.086 ( -27.709 -1.085 0.225) 27.731 11.795 ( 12.476 -5.637 4.436) 14.391 11.892 ( -1.237 18.551 5.400) 19.360 14.684 ( -6.902 11.640 0.543) 13.543 14.816 ( 8.777 -13.694 -0.812) 16.285 16.061 ( 5.161 0.801 2.520) 5.799 16.446 ( 15.314 -3.479 -8.434) 17.826 17.356 ( 0.833 -7.496 5.873) 9.559 17.630 ( 4.406 19.393 -10.604) 22.537 18.064 ( -6.350 -3.631 0.263) 7.320 19.359 ( -6.215 -4.321 -11.764) 13.989 20.078 ( 1.145 3.222 -9.003) 9.631 20.851 ( -2.123 2.467 -1.925) 3.782 20.954 ( -4.883 6.930 3.582) 9.203 21.736 ( 3.916 -8.225 5.194) 10.486 ======================= Grid point 319 (56/162) ======================= q-point: ( 0.42 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( 2.452 3.506 -4.798) 6.429 2.004 ( -3.226 2.615 -0.774) 4.224 2.535 ( 6.527 1.079 2.928) 7.235 2.737 ( 0.183 -1.848 3.797) 4.227 3.756 ( 23.294 7.800 15.530) 29.063 4.810 ( -20.027 -15.709 4.214) 25.800 6.867 ( 41.886 21.827 0.892) 47.240 7.478 ( 3.796 -2.433 -3.317) 5.597 7.844 ( 1.201 4.916 -3.470) 6.136 8.674 ( -5.821 1.717 4.808) 7.743 9.150 ( -12.736 -13.812 -2.494) 18.952 9.458 ( -13.849 -18.328 -2.782) 23.140 9.796 ( -11.215 6.587 0.119) 13.007 11.920 ( 10.472 -8.979 5.615) 14.893 12.029 ( -4.915 18.820 6.672) 20.564 14.679 ( -6.839 11.258 1.256) 13.232 14.821 ( 7.713 -13.595 -1.332) 15.687 16.054 ( 0.503 -4.679 10.653) 11.646 16.743 ( 18.677 -6.169 -10.102) 22.111 17.270 ( -1.269 -2.752 10.534) 10.961 17.854 ( -1.873 16.704 -10.024) 19.571 17.896 ( -7.073 -2.344 1.949) 7.701 19.246 ( -2.176 -4.887 -10.575) 11.851 20.137 ( 1.155 3.636 -13.483) 14.012 20.847 ( -1.991 3.473 -2.762) 4.864 20.947 ( -3.873 6.456 3.006) 8.107 21.718 ( 3.464 -7.801 4.282) 9.549 ======================= Grid point 320 (57/162) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 398 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( -2.724 4.718 -11.043) 12.314 1.965 ( -0.157 0.271 4.854) 4.865 2.596 ( 1.864 -3.228 0.720) 3.796 2.736 ( -0.396 0.685 5.220) 5.280 4.218 ( 3.765 -6.520 22.964) 24.166 4.334 ( 0.866 -1.500 -1.510) 2.298 7.465 ( 3.694 -6.398 -3.381) 8.124 7.651 ( -1.334 2.311 0.300) 2.685 7.657 ( 1.188 -2.058 -2.865) 3.723 8.645 ( -5.255 9.102 4.689) 11.508 8.917 ( 2.816 -4.877 -1.243) 5.767 9.229 ( 3.250 -5.629 -3.638) 7.448 9.735 ( -3.626 6.280 -0.469) 7.266 11.966 ( 6.614 -11.456 5.988) 14.520 12.081 ( -9.501 16.456 7.040) 20.264 14.675 ( -6.366 11.026 1.410) 12.810 14.819 ( 7.536 -13.052 -1.697) 15.167 16.033 ( 2.081 -3.605 15.291) 15.847 16.865 ( 10.988 -19.032 -11.116) 24.628 17.280 ( -2.446 4.237 9.049) 10.287 17.765 ( -0.560 0.970 0.738) 1.342 17.954 ( -8.657 14.995 -7.259) 18.775 19.199 ( 2.332 -4.039 -9.232) 10.343 20.168 ( -1.287 2.229 -14.755) 14.977 20.847 ( -2.135 3.698 -3.102) 5.278 20.946 ( -3.656 6.332 2.880) 7.858 21.708 ( 4.144 -7.178 3.923) 9.170 ======================= Grid point 328 (58/162) ======================= q-point: ( 0.08 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( 7.358 12.744 15.314) 21.238 1.389 ( 14.600 25.289 11.811) 31.499 2.219 ( 9.426 16.326 18.086) 26.125 2.432 ( -1.947 -3.373 -14.092) 14.620 3.433 ( -5.253 -9.098 -3.279) 11.005 3.620 ( 12.642 21.897 9.801) 27.118 5.652 ( -1.429 -2.476 0.153) 2.863 7.368 ( 1.376 2.383 -5.870) 6.483 7.395 ( 2.084 3.609 -4.648) 6.243 9.324 ( -5.770 -9.994 3.465) 12.049 9.896 ( -2.602 -4.507 2.018) 5.582 10.232 ( -4.330 -7.499 -5.615) 10.320 10.979 ( 8.432 14.604 -4.716) 17.511 11.290 ( -5.719 -9.905 0.609) 11.454 11.650 ( 4.428 7.669 1.282) 8.948 14.603 ( -2.697 -4.671 -2.237) 5.839 14.972 ( 3.019 5.229 -5.289) 8.027 15.061 ( 8.078 13.991 -2.822) 16.400 16.329 ( 25.742 44.586 -34.016) 61.707 16.562 ( -5.727 -9.920 -11.792) 16.440 17.153 ( 7.245 12.548 -13.347) 19.700 18.201 ( 0.078 0.135 1.264) 1.273 20.038 ( 0.258 0.447 -1.206) 1.312 20.203 ( -14.863 -25.743 4.443) 30.055 20.910 ( -0.386 -0.669 -0.085) 0.777 21.304 ( 0.966 1.673 6.999) 7.261 21.480 ( -1.319 -2.284 8.806) 9.193 ======================= Grid point 329 (59/162) ======================= q-point: ( 0.17 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( 9.376 9.929 13.813) 19.424 1.769 ( 5.925 13.418 8.737) 17.073 2.378 ( -2.430 11.193 -0.495) 11.465 2.626 ( 18.381 3.338 -0.143) 18.682 3.109 ( -8.174 -11.569 5.485) 15.191 4.392 ( 31.801 37.685 4.685) 49.533 5.567 ( -4.266 -5.912 -1.075) 7.369 7.388 ( -0.339 0.172 -5.375) 5.389 7.491 ( 4.355 4.979 -4.181) 7.825 9.108 ( -8.273 -8.053 4.448) 12.372 9.784 ( -2.250 -11.626 0.448) 11.850 10.019 ( -9.265 -10.227 -4.891) 14.641 10.930 ( -20.512 3.005 0.078) 20.731 11.312 ( 15.418 -7.704 0.311) 17.239 11.840 ( 4.576 14.338 3.219) 15.391 14.553 ( 3.223 -7.541 -0.852) 8.245 14.979 ( -8.945 14.404 -3.563) 17.326 15.464 ( 22.641 5.517 -3.183) 23.520 16.360 ( -5.105 -11.059 -10.580) 16.134 17.037 ( 17.182 19.138 -18.169) 31.490 17.429 ( 7.953 16.850 -12.539) 22.459 18.185 ( -1.332 -1.783 0.757) 2.350 19.744 ( -13.998 -14.193 -6.009) 20.821 20.044 ( 0.445 -0.451 -1.828) 1.935 20.899 ( -0.633 0.363 -0.581) 0.933 21.225 ( -10.887 7.178 7.023) 14.811 21.521 ( 8.916 -8.960 7.904) 14.908 ======================= Grid point 330 (60/162) ======================= q-point: ( 0.25 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( 5.826 9.114 3.423) 11.345 1.929 ( 6.825 4.010 4.629) 9.169 2.436 ( -2.735 8.280 2.675) 9.121 2.816 ( -2.897 3.696 0.811) 4.766 3.134 ( 15.102 8.185 10.197) 19.976 5.316 ( 14.775 14.664 -0.218) 20.818 5.408 ( 15.053 6.333 3.402) 16.682 7.370 ( 0.732 -3.733 -4.459) 5.862 7.644 ( 6.729 6.319 -3.671) 9.934 8.917 ( -7.692 -1.632 5.154) 9.402 9.549 ( -7.902 -19.422 -2.477) 21.114 9.756 ( -8.301 -11.979 -4.041) 15.124 10.566 ( -25.077 4.466 1.534) 25.518 11.484 ( 14.390 -9.279 2.765) 17.344 12.063 ( 2.823 16.986 5.653) 18.124 14.547 ( 5.812 -10.037 0.239) 11.600 14.971 ( -8.736 14.697 -1.953) 17.209 15.883 ( 19.625 2.313 -1.653) 19.830 16.196 ( 0.702 -11.532 -9.220) 14.781 17.281 ( 2.546 0.261 5.782) 6.323 17.745 ( 7.328 20.358 -11.390) 24.452 18.112 ( -3.955 -4.055 0.527) 5.689 19.469 ( -9.499 -2.749 -16.904) 19.584 20.054 ( 2.189 -1.343 -5.510) 6.079 20.897 ( -0.795 1.777 -1.107) 2.239 21.131 ( -7.796 6.599 5.441) 11.572 21.565 ( 6.315 -8.500 6.445) 12.396 ======================= Grid point 331 (61/162) ======================= q-point: ( 0.33 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( 2.255 4.152 -1.125) 4.857 2.068 ( 1.344 3.499 -2.380) 4.439 2.478 ( 2.462 2.358 3.379) 4.800 2.837 ( -3.349 13.861 4.032) 14.819 3.527 ( 15.935 15.063 13.713) 25.862 5.006 ( -18.314 -12.232 1.239) 22.058 6.329 ( 42.887 19.603 2.754) 47.235 7.353 ( 3.947 -7.452 -3.865) 9.277 7.813 ( 5.679 3.110 -2.421) 6.913 8.827 ( -6.065 6.577 4.782) 10.144 9.180 ( -10.347 -19.697 -3.154) 22.472 9.484 ( -9.285 -13.014 -4.541) 16.619 10.202 ( -23.812 8.097 1.905) 25.223 11.620 ( 13.054 -10.963 4.618) 17.662 12.251 ( -0.494 16.551 7.275) 18.086 14.543 ( 6.256 -11.834 0.297) 13.389 14.970 ( -8.440 14.769 -0.492) 17.018 15.999 ( 0.205 -5.213 4.821) 7.103 16.299 ( 19.426 -12.658 -9.740) 25.149 17.260 ( -0.306 -1.040 14.772) 14.812 17.971 ( -6.571 -5.798 1.297) 8.859 18.062 ( 3.851 23.061 -10.930) 25.809 19.309 ( -8.554 -0.580 -15.546) 17.754 20.097 ( 4.387 -1.870 -11.555) 12.500 20.907 ( -1.052 3.188 -1.619) 3.727 21.085 ( -5.114 5.935 4.071) 8.829 21.574 ( 4.324 -7.608 5.021) 10.089 ======================= Grid point 332 (62/162) ======================= q-point: ( 0.42 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.940 ( 3.003 3.173 0.535) 4.401 2.042 ( -4.906 1.186 -6.315) 8.084 2.535 ( 2.546 -1.113 0.429) 2.811 2.930 ( -7.584 20.088 5.140) 22.079 3.979 ( 19.468 15.180 15.065) 28.920 4.524 ( -22.394 -12.742 4.392) 26.137 7.147 ( 33.202 5.360 -0.801) 33.642 7.370 ( 9.955 -8.064 -2.496) 13.052 7.774 ( -8.414 -12.278 0.248) 14.886 8.798 ( -0.360 -2.460 -1.565) 2.938 8.938 ( -7.740 5.764 3.066) 10.126 9.226 ( -8.672 -3.773 -5.411) 10.896 9.957 ( -13.431 9.057 1.312) 16.253 11.702 ( 10.156 -13.059 5.511) 17.437 12.359 ( -5.024 14.465 7.975) 17.265 14.531 ( 6.604 -12.375 -0.218) 14.029 14.972 ( -8.481 14.838 0.371) 17.095 15.963 ( 1.588 -4.386 11.507) 12.417 16.411 ( 14.645 -22.375 -8.703) 28.122 17.317 ( 3.034 4.524 11.386) 12.621 17.798 ( -5.271 -5.021 1.917) 7.528 18.295 ( -5.242 23.692 -10.559) 26.463 19.174 ( -4.223 -2.121 -11.195) 12.152 20.146 ( 3.547 -3.134 -14.715) 15.458 20.919 ( -1.740 3.811 -1.852) 4.581 21.068 ( -3.633 5.505 3.511) 7.472 21.570 ( 3.671 -6.739 4.061) 8.682 ======================= Grid point 341 (63/162) ======================= q-point: ( 0.17 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 398 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( 8.392 14.535 7.172) 18.252 1.875 ( 0.656 1.137 3.029) 3.301 2.523 ( -0.375 -0.650 5.335) 5.387 2.954 ( 16.085 27.860 -2.050) 32.235 2.958 ( -1.285 -2.225 7.618) 8.040 5.148 ( 22.278 38.587 6.090) 44.970 5.412 ( -5.832 -10.101 -1.917) 11.820 7.345 ( -2.506 -4.340 -4.743) 6.900 7.613 ( 4.153 7.193 -3.119) 8.872 8.985 ( -2.104 -3.644 4.624) 6.252 9.503 ( -9.911 -17.167 -1.386) 19.871 9.779 ( -7.775 -13.467 -5.117) 16.371 10.914 ( -4.106 -7.112 3.873) 9.080 11.208 ( -0.194 -0.336 0.078) 0.395 12.123 ( 7.989 13.837 5.644) 16.945 14.443 ( -2.325 -4.026 -0.006) 4.649 15.186 ( 3.348 5.799 -3.854) 7.726 15.635 ( 7.068 12.243 -2.255) 14.316 16.150 ( -5.704 -9.880 -7.945) 13.903 17.263 ( 2.212 3.832 5.711) 7.224 17.780 ( 10.769 18.652 -12.158) 24.732 18.125 ( -2.584 -4.475 0.709) 5.216 19.555 ( -2.967 -5.139 -22.149) 22.930 20.017 ( -1.298 -2.249 -1.539) 3.019 20.913 ( 0.611 1.059 -0.725) 1.421 21.304 ( -0.799 -1.384 5.938) 6.149 21.396 ( -0.606 -1.050 7.324) 7.423 ======================= Grid point 342 (64/162) ======================= q-point: ( 0.25 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( -0.105 2.981 1.162) 3.201 2.030 ( 7.674 7.680 -2.406) 11.120 2.478 ( -1.217 -1.395 3.557) 4.010 3.004 ( 1.735 12.166 11.004) 16.496 3.511 ( 13.348 28.338 3.074) 31.475 5.157 ( -11.900 -11.518 -1.092) 16.597 5.894 ( 29.325 23.521 5.900) 38.052 7.239 ( -1.244 -9.117 -4.011) 10.038 7.753 ( 4.505 4.000 -1.460) 6.199 8.975 ( -2.848 6.342 3.786) 7.916 9.131 ( -8.371 -20.881 -2.724) 22.661 9.519 ( -7.767 -10.857 -5.300) 14.363 10.675 ( -20.830 5.148 3.670) 21.768 11.272 ( 12.624 -11.818 2.535) 17.477 12.367 ( 4.437 13.751 7.457) 16.260 14.381 ( 1.176 -6.947 0.037) 7.046 15.243 ( -5.686 12.297 -2.044) 13.701 15.874 ( 12.610 -2.942 0.273) 12.952 15.989 ( -1.502 -9.013 -5.278) 10.552 17.259 ( -0.852 -1.423 17.116) 17.196 18.006 ( -4.908 -6.781 1.123) 8.446 18.155 ( 10.031 21.097 -11.840) 26.190 19.480 ( -7.096 2.945 -24.629) 25.800 19.978 ( 2.777 -6.486 -5.121) 8.718 20.941 ( 0.475 2.617 -0.794) 2.776 21.228 ( -5.952 2.730 4.906) 8.182 21.430 ( 4.931 -4.528 5.204) 8.479 ======================= Grid point 343 (65/162) ======================= q-point: ( 0.33 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 724 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( 2.049 2.655 1.438) 3.649 2.108 ( -1.934 0.391 -6.332) 6.632 2.491 ( 2.148 0.494 0.833) 2.357 3.228 ( 1.864 22.372 10.276) 24.690 3.946 ( 7.684 25.819 6.461) 27.703 4.782 ( -19.373 -9.675 2.420) 21.790 6.602 ( 34.560 8.739 3.922) 35.862 7.149 ( 3.573 -12.378 -3.765) 13.422 7.753 ( -3.965 -11.050 1.600) 11.848 8.769 ( -5.025 -10.952 -4.497) 12.862 9.062 ( -3.217 1.290 0.562) 3.512 9.385 ( -3.179 9.283 -2.726) 10.184 10.352 ( -22.331 6.530 2.768) 23.431 11.364 ( 12.977 -15.011 4.217) 20.285 12.533 ( -0.086 12.025 8.388) 14.662 14.341 ( 3.134 -8.609 -0.661) 9.185 15.258 ( -7.540 13.970 0.705) 15.891 15.893 ( 0.821 -5.220 4.831) 7.160 15.995 ( 10.642 -16.326 -2.331) 19.627 17.290 ( 3.898 3.228 14.036) 14.920 17.833 ( -6.133 -7.958 2.123) 10.269 18.519 ( 6.302 23.018 -12.291) 26.844 19.329 ( -12.994 2.184 -15.890) 20.642 19.991 ( 6.949 -8.968 -11.843) 16.400 20.975 ( -0.332 3.681 -0.626) 3.749 21.172 ( -3.740 2.452 3.912) 5.942 21.458 ( 3.234 -3.821 3.608) 6.171 ======================= Grid point 344 (66/162) ======================= q-point: ( 0.42 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( -0.253 0.438 3.664) 3.699 2.065 ( -0.736 1.275 -7.857) 7.994 2.516 ( 0.410 -0.710 -0.841) 1.175 3.378 ( -12.443 21.552 7.943) 26.123 4.326 ( 0.356 -0.617 0.607) 0.936 4.360 ( -9.717 16.830 12.111) 22.899 7.065 ( 6.637 -11.496 -5.750) 14.467 7.156 ( 9.422 -16.320 3.308) 19.133 7.490 ( 6.266 -10.852 4.403) 13.282 8.705 ( 1.136 -1.968 -4.967) 5.463 8.994 ( 1.485 -2.572 -2.817) 4.094 9.473 ( -12.544 21.727 0.395) 25.092 10.152 ( -6.542 11.331 2.242) 13.275 11.403 ( 10.000 -17.320 4.715) 20.548 12.593 ( -5.334 9.239 8.649) 13.734 14.324 ( 4.873 -8.440 -1.101) 9.808 15.262 ( -8.150 14.116 2.134) 16.438 15.880 ( 2.416 -4.184 9.535) 10.689 15.990 ( 10.789 -18.687 -3.534) 21.866 17.378 ( -0.664 1.149 10.473) 10.557 17.709 ( 2.069 -3.583 3.065) 5.149 18.732 ( -10.941 18.951 -14.027) 25.992 19.180 ( -2.167 3.754 -10.762) 11.602 20.010 ( 6.029 -10.443 -13.975) 18.458 20.992 ( -2.036 3.527 -0.499) 4.103 21.151 ( -1.560 2.703 3.638) 4.793 21.466 ( 2.105 -3.646 2.946) 5.139 ======================= Grid point 351 (67/162) ======================= q-point: (-0.08 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( -13.419 23.243 3.574) 27.076 1.357 ( -5.959 10.321 17.588) 21.245 2.256 ( -7.157 12.396 14.067) 20.069 2.959 ( -3.199 5.540 -2.649) 6.924 3.163 ( -18.644 32.292 -10.002) 38.605 3.533 ( 9.204 -15.942 12.689) 22.358 5.677 ( 0.405 -0.702 0.191) 0.833 7.275 ( -0.766 1.327 -5.933) 6.127 7.424 ( -1.722 2.982 -4.244) 5.465 9.342 ( 5.473 -9.480 3.354) 11.448 10.013 ( 1.107 -1.917 3.229) 3.915 10.213 ( 3.771 -6.532 -6.163) 9.741 10.858 ( -5.698 9.870 -5.272) 12.557 11.336 ( 5.093 -8.822 1.047) 10.241 11.606 ( -3.400 5.889 0.380) 6.811 14.563 ( 2.557 -4.429 -1.838) 5.435 14.994 ( -7.410 12.835 -3.023) 15.126 15.157 ( -4.176 7.233 -2.580) 8.742 16.315 ( -27.566 47.745 -40.765) 68.565 16.804 ( 2.192 -3.796 -12.435) 13.185 16.909 ( -3.650 6.322 -10.640) 12.903 18.207 ( -0.240 0.416 1.025) 1.132 20.028 ( 0.172 -0.299 -1.205) 1.253 20.268 ( 15.817 -27.396 12.032) 33.845 20.897 ( 1.129 -1.955 -0.195) 2.266 20.934 ( 3.476 -6.020 4.868) 8.486 21.777 ( -3.856 6.678 5.625) 9.545 ======================= Grid point 355 (68/162) ======================= q-point: ( 0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.921 ( 1.281 2.219 1.894) 3.186 2.124 ( 0.303 0.526 -6.667) 6.695 2.475 ( 0.843 1.460 1.325) 2.144 3.302 ( 10.629 18.409 14.549) 25.759 4.062 ( 13.468 23.327 0.679) 26.945 4.920 ( -6.812 -11.799 -0.155) 13.625 6.309 ( 11.600 20.092 7.293) 24.320 7.049 ( -5.241 -9.078 -4.067) 11.244 7.728 ( -5.388 -9.331 2.028) 10.964 8.758 ( -6.635 -11.492 -5.029) 14.191 9.095 ( -1.662 -2.878 -0.557) 3.370 9.460 ( 5.941 10.291 -1.793) 12.017 10.690 ( -3.766 -6.523 4.600) 8.826 11.072 ( -3.415 -5.916 2.156) 7.163 12.594 ( 5.251 9.095 8.505) 13.514 14.270 ( -2.564 -4.440 -0.750) 5.182 15.430 ( 3.658 6.335 -1.726) 7.516 15.789 ( -2.655 -4.599 5.272) 7.483 15.855 ( -2.740 -4.746 -0.528) 5.505 17.269 ( 1.818 3.149 15.291) 15.718 17.847 ( -5.297 -9.174 2.085) 10.797 18.570 ( 12.028 20.833 -12.413) 27.070 19.526 ( -0.383 -0.663 -24.879) 24.890 19.822 ( -4.424 -7.663 -3.849) 9.649 20.997 ( 1.702 2.948 -0.077) 3.405 21.224 ( -1.403 -2.430 4.293) 5.128 21.403 ( 0.580 1.005 3.023) 3.238 ======================= Grid point 356 (69/162) ======================= q-point: ( 0.33 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( 1.696 2.574 1.544) 3.448 2.085 ( -2.027 -2.411 -4.353) 5.373 2.507 ( 0.762 0.816 -1.251) 1.677 3.666 ( 4.610 21.735 11.339) 24.945 4.283 ( -0.640 -0.899 2.856) 3.062 4.772 ( -9.937 13.786 0.727) 17.010 6.728 ( 21.320 6.075 5.342) 22.803 6.918 ( 1.277 -9.561 -3.850) 10.386 7.379 ( -11.213 -24.099 5.374) 27.118 8.696 ( 1.291 2.573 -5.588) 6.286 8.955 ( -3.484 -7.965 -4.261) 9.682 9.796 ( 5.110 25.816 1.267) 26.348 10.430 ( -17.594 0.100 3.134) 17.871 11.044 ( 10.030 -16.239 3.310) 19.372 12.717 ( -0.004 6.457 8.922) 11.014 14.209 ( 0.828 -4.723 -1.536) 5.035 15.497 ( -4.325 9.863 2.988) 11.176 15.719 ( 3.518 -10.483 3.597) 11.628 15.802 ( 1.363 -4.134 3.984) 5.901 17.374 ( 3.901 5.343 10.042) 12.026 17.666 ( -4.010 -8.777 3.769) 10.360 18.955 ( 7.504 20.859 -14.805) 26.657 19.377 ( -15.576 2.431 -13.960) 21.057 19.754 ( 8.188 -14.695 -10.505) 19.833 21.049 ( 0.056 3.736 0.730) 3.807 21.174 ( -1.152 -1.858 3.414) 4.053 21.426 ( 0.871 -0.003 1.874) 2.067 ======================= Grid point 362 (70/162) ======================= q-point: (-0.17 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( -6.462 8.736 11.601) 15.895 1.596 ( -13.482 14.538 2.584) 19.995 2.377 ( 0.116 3.636 2.540) 4.437 3.040 ( 2.454 13.841 2.056) 14.206 3.176 ( 7.022 -6.619 8.317) 12.739 4.161 ( -42.456 34.630 2.898) 54.865 5.632 ( 3.919 -1.968 -0.791) 4.456 7.341 ( -4.245 2.755 -5.517) 7.487 7.471 ( -1.661 0.915 -4.018) 4.443 9.125 ( 8.951 -8.205 4.182) 12.843 9.939 ( 2.515 -6.914 2.127) 7.659 10.013 ( 9.505 -8.759 -4.921) 13.830 10.841 ( 18.420 2.987 -2.017) 18.769 11.282 ( -14.738 -13.237 1.424) 19.860 11.747 ( -3.554 10.182 1.842) 10.940 14.505 ( -1.935 -7.114 -1.005) 7.441 15.108 ( 9.442 20.045 -1.494) 22.207 15.476 ( -22.945 3.866 -1.884) 23.344 16.658 ( 10.214 2.431 -10.326) 14.726 17.034 ( -16.052 4.261 -17.507) 24.131 17.195 ( -16.144 23.378 -20.956) 35.303 18.194 ( 1.529 -1.554 0.327) 2.205 19.756 ( 15.942 -16.146 5.923) 23.451 20.015 ( -0.090 -2.144 -1.738) 2.762 20.845 ( 0.065 -6.676 2.985) 7.313 20.866 ( -0.029 -2.694 -0.661) 2.774 21.859 ( 0.789 5.663 5.466) 7.910 ======================= Grid point 368 (71/162) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( -1.485 -2.571 -0.845) 3.087 2.029 ( 1.485 2.571 -0.845) 3.087 2.515 ( -0.000 -0.000 -1.838) 1.838 4.057 ( -8.626 -14.940 7.700) 18.892 4.057 ( 8.626 14.940 7.700) 18.892 4.991 ( -0.000 -0.000 -3.551) 3.551 6.803 ( -0.000 -0.000 -7.113) 7.113 6.949 ( -8.219 -14.236 8.242) 18.388 6.949 ( 8.219 14.236 8.242) 18.388 8.803 ( -3.587 -6.212 -5.228) 8.876 8.803 ( 3.587 6.212 -5.228) 8.876 10.262 ( -9.244 -16.010 2.383) 18.640 10.262 ( 9.244 16.010 2.383) 18.640 10.850 ( -0.000 -0.000 2.931) 2.931 12.781 ( -0.000 -0.000 9.065) 9.065 14.161 ( -0.000 -0.000 -1.904) 1.904 15.612 ( -0.180 -0.312 6.520) 6.530 15.612 ( 0.180 0.312 6.520) 6.530 15.747 ( -0.000 -0.000 0.262) 0.262 17.502 ( -3.803 -6.586 6.379) 9.926 17.502 ( 3.803 6.586 6.379) 9.926 19.244 ( -0.000 -0.000 -22.935) 22.935 19.463 ( -5.453 -9.445 -7.868) 13.448 19.463 ( 5.453 9.445 -7.868) 13.448 21.119 ( -1.681 -2.911 2.158) 3.995 21.119 ( 1.681 2.911 2.158) 3.995 21.430 ( -0.000 -0.000 1.341) 1.341 ======================= Grid point 375 (72/162) ======================= q-point: (-0.25 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( -4.993 5.813 1.132) 7.746 1.874 ( -6.986 5.869 1.490) 9.245 2.415 ( -0.883 6.545 4.008) 7.725 2.972 ( 9.174 5.259 4.903) 11.656 3.300 ( -8.353 15.697 9.633) 20.222 5.209 ( -34.428 23.783 3.059) 41.955 5.523 ( -1.088 2.298 0.291) 2.559 7.436 ( -2.002 2.656 -3.713) 4.985 7.536 ( -7.354 -0.218 -4.540) 8.645 8.904 ( 8.884 -4.684 4.317) 10.932 9.696 ( 12.786 -11.575 -3.342) 17.568 9.833 ( 2.458 -11.312 -0.232) 11.579 10.435 ( 28.835 1.803 -0.632) 28.898 11.451 ( -18.872 -14.631 3.143) 24.085 11.915 ( -2.699 12.436 3.824) 13.288 14.479 ( -3.982 -8.818 -0.439) 9.686 15.130 ( 9.530 17.729 0.023) 20.128 15.908 ( -19.542 6.005 -0.817) 20.460 16.535 ( 5.381 3.274 -4.585) 7.791 17.230 ( -11.823 -9.135 -0.175) 14.941 17.581 ( -2.530 19.936 -15.706) 25.505 18.116 ( 4.366 -4.266 -0.022) 6.105 19.458 ( 7.885 -3.792 -6.666) 10.999 20.000 ( -2.182 -3.947 -4.740) 6.542 20.797 ( -1.256 -5.247 0.877) 5.466 20.845 ( -1.211 -3.753 -0.491) 3.974 21.875 ( 3.244 5.094 4.748) 7.683 ======================= Grid point 376 (73/162) ======================= q-point: (-0.17 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 398 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( -4.191 7.259 1.540) 8.522 1.845 ( -5.290 9.162 1.658) 10.709 2.444 ( -2.581 4.471 4.679) 6.967 3.092 ( 0.157 -0.272 9.267) 9.273 3.329 ( -8.992 15.574 3.149) 18.257 4.966 ( -25.757 44.612 5.077) 51.763 5.558 ( 3.468 -6.008 -0.943) 7.001 7.438 ( -3.850 6.668 -4.630) 8.984 7.460 ( 1.015 -1.758 -3.449) 4.002 8.963 ( 4.449 -7.706 3.636) 9.612 9.729 ( 8.139 -14.097 0.886) 16.302 9.809 ( 6.414 -11.109 -4.233) 13.508 10.954 ( 5.094 -8.823 4.041) 10.961 10.959 ( 1.564 -2.710 -2.196) 3.823 11.954 ( -6.015 10.419 3.563) 12.547 14.398 ( 2.344 -4.060 -0.465) 4.712 15.397 ( -2.934 5.082 0.452) 5.885 15.663 ( -11.056 19.149 -2.116) 22.212 16.628 ( 2.571 -4.452 -5.780) 7.736 17.053 ( -0.058 0.101 1.606) 1.610 17.667 ( -11.544 19.995 -20.235) 30.701 18.132 ( 2.862 -4.957 -0.038) 5.724 19.514 ( 4.227 -7.322 -4.432) 9.546 19.957 ( 2.060 -3.569 -2.167) 4.656 20.748 ( 1.741 -3.016 1.830) 3.934 20.823 ( 1.218 -2.109 -2.281) 3.337 21.930 ( -1.087 1.882 4.475) 4.975 ======================= Grid point 388 (74/162) ======================= q-point: (-0.33 0.42 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( -2.574 1.327 -5.522) 6.235 1.962 ( -1.346 -0.230 1.308) 1.891 2.545 ( -3.421 9.347 4.294) 10.840 2.910 ( 8.308 12.274 4.696) 15.548 3.664 ( -13.432 19.806 12.068) 26.802 5.114 ( 19.948 -5.518 3.103) 20.929 6.356 ( -45.376 22.713 2.738) 50.817 7.473 ( -2.269 -1.087 -2.851) 3.803 7.689 ( -8.914 -0.421 -3.755) 9.682 8.741 ( 7.250 -0.850 2.874) 7.845 9.342 ( 14.182 -13.115 -2.085) 19.429 9.640 ( 5.631 -14.675 -0.995) 15.750 9.983 ( 26.591 7.820 -0.817) 27.729 11.610 ( -17.393 -16.535 4.726) 24.459 12.068 ( -0.529 12.379 5.236) 13.451 14.463 ( -4.933 -9.818 -0.260) 10.991 15.134 ( 9.716 16.371 0.222) 19.039 16.128 ( -0.034 3.407 6.849) 7.650 16.651 ( -14.149 5.263 -2.719) 15.339 17.249 ( -4.613 -13.522 9.485) 17.150 17.760 ( 1.504 17.654 -14.352) 22.802 17.962 ( 6.997 -6.722 0.166) 9.704 19.355 ( 5.280 2.431 -9.985) 11.554 20.024 ( -5.473 -4.856 -10.078) 12.454 20.780 ( -1.870 -3.904 -1.622) 4.623 20.833 ( -2.299 -4.849 0.445) 5.385 21.859 ( 4.174 5.097 3.961) 7.687 ======================= Grid point 389 (75/162) ======================= q-point: (-0.25 0.42 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.802 ( -1.477 2.013 -5.275) 5.836 1.949 ( -1.298 1.761 2.029) 2.984 2.574 ( -3.971 8.676 5.002) 10.773 3.146 ( 1.029 13.193 9.309) 16.180 3.676 ( -9.989 21.232 4.449) 23.883 5.357 ( 12.797 -3.569 1.215) 13.341 5.874 ( -36.044 27.373 5.828) 45.634 7.412 ( 0.010 -4.810 -2.849) 5.591 7.585 ( -5.650 4.767 -3.183) 8.048 8.836 ( 4.667 -2.284 1.409) 5.383 9.387 ( 11.501 -19.866 -0.310) 22.957 9.623 ( 4.391 -6.822 -2.680) 8.544 10.548 ( 29.258 7.473 0.990) 30.214 11.113 ( -19.917 -19.309 2.130) 27.822 12.145 ( -3.878 10.696 4.930) 12.400 14.336 ( -0.603 -5.777 -0.515) 5.831 15.430 ( 6.316 11.616 0.603) 13.236 16.063 ( -13.688 10.389 0.905) 17.208 16.544 ( 0.638 -2.159 0.597) 2.329 17.030 ( -3.328 -9.681 12.403) 16.082 17.971 ( -1.204 15.713 -14.556) 21.453 17.999 ( 3.982 -4.666 -2.682) 6.695 19.451 ( 2.301 2.473 -11.446) 11.934 19.897 ( -1.469 -6.260 -4.987) 8.137 20.715 ( -0.855 -2.846 0.526) 3.018 20.783 ( 0.491 -2.915 -2.819) 4.084 21.945 ( 1.353 2.334 3.642) 4.533 ======================= Grid point 401 (76/162) ======================= q-point: (-0.42 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( -1.760 -1.565 -8.486) 8.807 1.960 ( 0.024 -0.880 3.662) 3.766 2.652 ( -0.027 5.341 1.507) 5.549 2.914 ( 9.327 17.567 5.021) 20.513 4.135 ( -17.715 21.076 10.760) 29.560 4.654 ( 26.369 -5.920 7.971) 28.176 7.250 ( -36.737 11.649 1.372) 38.564 7.495 ( -2.704 -3.251 -2.742) 5.040 7.726 ( 3.338 -10.107 -1.208) 10.712 8.633 ( 5.424 1.654 0.031) 5.671 8.996 ( 8.577 -10.881 -0.271) 13.857 9.417 ( 10.364 3.738 -1.036) 11.066 9.748 ( 8.824 4.454 -1.522) 10.001 11.705 ( -13.889 -18.932 5.473) 24.110 12.162 ( 3.201 10.641 5.863) 12.564 14.454 ( -5.538 -10.136 -0.349) 11.555 15.127 ( 9.657 16.103 -0.213) 18.778 16.109 ( 3.200 2.950 15.797) 16.386 16.942 ( -12.389 -1.207 -3.826) 13.023 17.194 ( -2.695 -7.216 8.512) 11.480 17.771 ( 4.772 -5.968 1.127) 7.724 17.881 ( 3.849 12.874 -13.685) 19.179 19.304 ( 4.474 4.628 -8.217) 10.439 20.068 ( -5.226 -5.978 -13.084) 15.305 20.778 ( -1.945 -3.370 -3.650) 5.335 20.827 ( -3.041 -5.532 1.544) 6.499 21.842 ( 3.866 5.612 3.493) 7.658 ======================= Grid point 402 (77/162) ======================= q-point: (-0.33 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 724 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( -0.689 0.042 -6.080) 6.119 1.953 ( 0.354 -1.037 2.622) 2.842 2.697 ( -1.364 5.775 2.095) 6.293 3.286 ( 6.066 24.460 7.278) 26.231 4.078 ( -13.021 20.351 5.808) 24.848 5.028 ( 21.189 -2.874 5.136) 21.991 6.715 ( -37.049 13.722 5.825) 39.936 7.376 ( -2.980 -7.607 -2.689) 8.601 7.672 ( -1.093 -3.005 -0.303) 3.211 8.748 ( 5.141 0.668 -2.457) 5.737 9.001 ( 9.505 -17.899 -0.861) 20.284 9.558 ( 1.591 5.403 -0.750) 5.682 10.137 ( 26.331 7.270 -0.114) 27.317 11.238 ( -17.601 -21.177 3.219) 27.724 12.284 ( -0.497 9.343 5.645) 10.927 14.302 ( -2.441 -6.612 -0.896) 7.105 15.431 ( 7.821 13.203 0.234) 15.347 16.199 ( 3.305 3.647 12.919) 13.825 16.649 ( -13.502 -6.265 2.260) 15.055 17.031 ( -6.995 -4.688 11.379) 14.156 17.790 ( 6.848 -10.242 0.668) 12.339 18.161 ( 3.927 20.487 -18.486) 27.872 19.430 ( 4.581 4.561 -9.026) 11.103 19.896 ( -6.015 -7.805 -9.683) 13.814 20.712 ( -1.924 -2.759 -1.239) 3.585 20.751 ( -0.486 -3.671 -2.338) 4.380 21.939 ( 2.296 3.121 3.118) 4.973 ======================= Grid point 403 (78/162) ======================= q-point: (-0.25 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.821 ( -0.350 0.607 -5.151) 5.199 1.951 ( 0.700 -1.212 2.190) 2.599 2.714 ( -2.987 5.173 2.338) 6.415 3.477 ( -10.869 18.825 10.934) 24.332 4.074 ( -10.329 17.890 1.106) 20.687 5.226 ( 5.345 -9.257 1.716) 10.826 6.421 ( -16.012 27.734 9.675) 33.454 7.304 ( 3.045 -5.274 -2.753) 6.683 7.646 ( 0.299 -0.519 0.076) 0.604 8.797 ( 1.341 -2.322 -3.055) 4.065 8.990 ( 10.533 -18.244 -1.103) 21.095 9.598 ( -2.824 4.892 -0.751) 5.698 10.649 ( 4.721 -8.178 3.762) 10.164 10.740 ( 4.562 -7.901 -1.136) 9.194 12.326 ( -4.301 7.450 5.541) 10.233 14.247 ( 1.932 -3.347 -1.059) 4.007 15.582 ( -2.602 4.506 0.361) 5.216 16.264 ( -3.821 6.617 8.077) 11.119 16.470 ( 2.118 -3.669 7.455) 8.575 16.935 ( -1.128 1.953 12.706) 12.904 17.799 ( 6.756 -11.701 0.278) 13.514 18.309 ( -8.299 14.375 -19.472) 25.587 19.512 ( -1.392 2.411 -12.093) 12.410 19.778 ( 2.783 -4.820 -5.498) 7.824 20.679 ( 0.545 -0.944 -0.511) 1.204 20.730 ( 1.427 -2.471 -3.643) 4.628 21.975 ( -0.489 0.846 2.975) 3.131 ======================= Grid point 413 (79/162) ======================= q-point: (-0.42 0.58 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( -0.148 -0.257 -5.957) 5.965 1.942 ( -0.658 -1.140 3.029) 3.303 2.735 ( 1.879 3.254 1.149) 3.929 3.363 ( 14.555 25.209 5.679) 29.658 4.422 ( 0.563 0.976 1.294) 1.716 4.697 ( 9.265 16.047 12.266) 22.221 7.248 ( -7.717 -13.366 4.634) 16.114 7.354 ( -4.811 -8.334 -2.940) 10.062 7.559 ( -2.448 -4.240 3.399) 5.960 8.694 ( 1.916 3.319 -4.769) 6.118 8.817 ( -3.504 -6.069 -1.715) 7.215 9.625 ( 8.262 14.311 0.755) 16.542 9.891 ( 6.230 10.791 -1.201) 12.518 11.285 ( -13.631 -23.610 3.536) 27.491 12.335 ( 3.980 6.893 5.842) 9.873 14.290 ( -3.729 -6.459 -1.120) 7.541 15.428 ( 7.989 13.837 -0.032) 15.978 16.174 ( 2.157 3.737 18.464) 18.962 16.729 ( -8.766 -15.183 6.050) 18.546 17.121 ( -1.055 -1.828 5.412) 5.809 17.644 ( -3.427 -5.935 1.599) 7.038 18.232 ( 10.730 18.586 -19.288) 28.854 19.407 ( 3.206 5.553 -7.168) 9.618 19.915 ( -5.319 -9.213 -11.329) 15.541 20.719 ( -1.462 -2.533 -4.276) 5.180 20.733 ( -2.239 -3.879 0.181) 4.482 21.934 ( 2.143 3.711 2.951) 5.203 ======================= Grid point 415 (80/162) ======================= q-point: (-0.33 0.58 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( -0.229 1.219 -3.321) 3.545 1.920 ( 0.351 -2.247 1.593) 2.777 2.780 ( -0.243 2.780 1.154) 3.020 3.790 ( 2.740 24.859 7.935) 26.238 4.344 ( -7.870 3.465 2.767) 9.034 5.032 ( 11.536 3.852 2.454) 12.407 6.938 ( -19.792 10.790 9.933) 24.634 7.226 ( -0.878 -6.454 -3.017) 7.178 7.509 ( 6.297 -13.714 5.643) 16.112 8.740 ( 2.310 -1.621 -5.716) 6.374 8.750 ( 2.260 -6.564 -3.490) 7.770 9.811 ( -6.546 19.054 0.469) 20.152 10.252 ( 26.034 4.050 0.379) 26.350 10.787 ( -16.512 -24.106 1.280) 29.247 12.428 ( -0.176 5.129 5.758) 7.713 14.204 ( -0.647 -3.364 -1.571) 3.769 15.634 ( 2.792 7.126 -0.002) 7.653 16.264 ( 4.596 2.907 17.960) 18.766 16.464 ( -6.563 -9.553 12.483) 17.034 17.086 ( -6.366 8.310 4.689) 11.470 17.560 ( 4.827 -12.813 0.951) 13.725 18.515 ( 1.481 14.233 -21.803) 26.080 19.517 ( 3.671 4.140 -7.964) 9.698 19.734 ( -4.396 -8.126 -8.208) 12.358 20.673 ( -1.021 -1.264 -1.734) 2.376 20.690 ( 0.334 -2.328 -3.488) 4.207 21.984 ( 0.644 1.493 2.693) 3.146 ======================= Grid point 428 (81/162) ======================= q-point: (-0.33 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( -1.158 -2.005 -0.505) 2.370 1.873 ( 1.158 2.005 -0.505) 2.370 2.807 ( 0.000 0.000 0.934) 0.934 4.203 ( -7.885 -13.657 6.300) 16.982 4.203 ( 7.885 13.657 6.300) 16.982 5.099 ( -0.000 -0.000 -2.375) 2.375 7.157 ( 0.000 0.000 -3.539) 3.539 7.196 ( -7.829 -13.560 10.511) 18.859 7.196 ( 7.829 13.560 10.511) 18.859 8.708 ( -0.473 -0.819 -5.628) 5.707 8.708 ( 0.473 0.819 -5.628) 5.707 10.219 ( -8.032 -13.911 1.463) 16.130 10.219 ( 8.032 13.911 1.463) 16.130 10.410 ( 0.000 0.000 -1.487) 1.487 12.479 ( 0.000 0.000 5.765) 5.765 14.170 ( 0.000 0.000 -1.863) 1.863 15.704 ( 0.000 0.000 -0.130) 0.130 16.328 ( -2.172 -3.762 17.836) 18.357 16.328 ( 2.172 3.762 17.836) 18.357 17.303 ( -6.398 -11.081 1.779) 12.918 17.303 ( 6.398 11.081 1.779) 12.918 18.667 ( 0.000 0.000 -23.817) 23.817 19.601 ( -2.537 -4.394 -7.129) 8.750 19.601 ( 2.537 4.394 -7.129) 8.750 20.664 ( -0.184 -0.319 -2.909) 2.932 20.664 ( 0.184 0.319 -2.909) 2.932 21.999 ( 0.000 0.000 2.573) 2.573 ======================= Grid point 471 (82/162) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( 0.000 0.000 12.714) 12.714 0.788 ( 0.000 -0.000 12.714) 12.714 2.455 ( -0.000 -0.000 -14.346) 14.346 2.455 ( 0.000 0.000 -14.346) 14.346 2.554 ( 0.000 -0.000 35.160) 35.160 4.163 ( 0.000 0.000 -6.449) 6.449 5.718 ( 0.000 0.000 1.766) 1.766 7.190 ( 0.000 0.000 -4.963) 4.963 7.190 ( 0.000 0.000 -4.963) 4.963 9.601 ( 0.000 -0.000 1.939) 1.939 10.061 ( 0.000 -0.000 2.807) 2.807 10.061 ( 0.000 0.000 2.807) 2.807 10.524 ( 0.000 0.000 -2.916) 2.916 11.521 ( 0.000 0.000 0.161) 0.161 11.521 ( 0.000 0.000 0.161) 0.161 14.662 ( 0.000 -0.000 -6.833) 6.833 14.662 ( 0.000 -0.000 -6.833) 6.833 14.741 ( 0.000 -0.000 -4.244) 4.244 14.741 ( 0.000 -0.000 -4.244) 4.244 16.591 ( -0.000 0.000 -10.239) 10.239 16.591 ( 0.000 0.000 -10.239) 10.239 18.226 ( 0.000 -0.000 2.225) 2.225 19.994 ( 0.000 -0.000 -1.503) 1.503 20.839 ( 0.000 0.000 -1.076) 1.076 21.295 ( 0.000 -0.000 5.644) 5.644 21.295 ( 0.000 0.000 5.644) 5.644 21.507 ( 0.000 0.000 3.766) 3.766 ======================= Grid point 472 (83/162) ======================= q-point: ( 0.08 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( 11.959 23.088 8.781) 27.445 1.337 ( 33.355 7.309 14.022) 36.913 2.296 ( 0.298 -10.163 -14.622) 17.810 2.594 ( 7.513 -1.569 21.396) 22.731 2.817 ( 16.768 22.445 -5.301) 28.514 3.949 ( -15.229 -9.004 -0.757) 17.708 5.703 ( -1.232 -1.067 1.186) 2.016 7.179 ( -0.816 3.100 -4.974) 5.918 7.255 ( 4.310 0.479 -5.420) 6.941 9.529 ( -5.837 -3.816 2.684) 7.473 10.043 ( 1.514 -5.094 2.681) 5.952 10.174 ( 0.798 3.881 -2.101) 4.485 10.618 ( 9.204 8.294 -2.523) 12.644 11.455 ( -3.907 -4.666 0.334) 6.095 11.555 ( 1.769 3.396 0.397) 3.849 14.624 ( -2.274 2.953 -4.983) 6.223 14.687 ( 2.047 -3.206 -3.428) 5.120 14.911 ( 17.444 1.470 -4.832) 18.160 15.106 ( 26.302 23.517 -14.958) 38.323 16.524 ( -1.251 -7.776 -9.291) 12.180 16.684 ( 3.786 8.901 -10.752) 14.463 18.231 ( 0.331 0.135 1.964) 1.997 20.001 ( 0.426 0.389 -1.395) 1.509 20.757 ( -10.161 -9.501 3.258) 14.287 20.994 ( -10.623 -10.634 3.790) 15.502 21.276 ( -10.288 10.757 5.583) 15.898 21.667 ( 10.728 -2.368 2.988) 11.385 ======================= Grid point 473 (84/162) ======================= q-point: ( 0.17 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( 13.756 16.835 4.580) 22.218 1.741 ( 6.563 7.457 14.938) 17.940 2.265 ( 6.566 -8.028 -7.352) 12.713 2.770 ( 14.288 -2.890 7.554) 16.418 3.307 ( 4.292 1.006 -3.107) 5.393 3.846 ( 20.462 21.446 7.302) 30.527 5.648 ( -3.174 -3.194 -0.188) 4.507 7.220 ( 1.318 4.360 -4.946) 6.724 7.332 ( 3.805 1.074 -5.473) 6.752 9.345 ( -9.359 -6.040 3.994) 11.833 10.000 ( -0.709 -6.886 1.583) 7.101 10.074 ( -8.896 -4.167 -3.405) 10.397 10.814 ( -3.498 3.511 -2.502) 5.552 11.412 ( 6.412 1.376 0.910) 6.621 11.649 ( 3.748 6.126 1.380) 7.312 14.645 ( -3.442 9.503 -2.093) 10.321 14.706 ( 8.005 -9.622 -2.956) 12.861 15.271 ( 19.441 7.891 -4.324) 21.422 15.937 ( 34.708 24.762 -23.903) 48.879 16.420 ( 1.129 -7.759 -9.847) 12.587 16.899 ( 9.020 12.534 -9.360) 18.057 18.229 ( -0.695 -0.514 1.460) 1.697 20.010 ( -0.145 0.477 -1.208) 1.306 20.248 ( -24.770 -20.702 10.123) 33.832 20.876 ( -2.623 -0.325 -1.675) 3.129 21.188 ( -10.763 8.778 6.149) 15.190 21.775 ( 6.939 -5.787 1.881) 9.229 ======================= Grid point 474 (85/162) ======================= q-point: ( 0.25 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( 2.647 2.587 -0.367) 3.719 1.890 ( 3.898 10.784 7.189) 13.534 2.349 ( 7.113 0.212 3.013) 7.728 2.897 ( 2.647 -7.658 -0.756) 8.138 3.296 ( 9.863 0.363 9.579) 13.754 4.787 ( 44.250 31.547 4.275) 54.511 5.525 ( -5.611 -6.057 -1.050) 8.323 7.296 ( 3.414 1.725 -4.142) 5.638 7.424 ( 4.498 4.787 -5.519) 8.580 9.118 ( -9.824 -5.733 5.372) 12.579 9.775 ( -13.166 -10.057 -4.376) 17.136 9.943 ( -2.053 -7.391 1.104) 7.749 10.549 ( -21.304 -6.005 -1.422) 22.180 11.656 ( 14.520 3.205 2.881) 15.146 11.801 ( 3.344 12.318 2.948) 13.100 14.671 ( -5.952 12.288 -0.684) 13.671 14.767 ( 11.254 -12.832 -1.044) 17.100 15.709 ( 20.792 9.831 -3.692) 23.294 16.221 ( 1.752 -8.621 -9.076) 12.640 16.824 ( 24.717 19.537 -22.269) 38.582 17.233 ( 14.292 14.050 -4.669) 20.579 18.187 ( -3.096 -1.801 1.232) 3.788 19.629 ( -22.859 -18.895 6.327) 30.325 19.998 ( -1.711 0.219 -1.571) 2.333 20.835 ( -2.679 0.843 -2.429) 3.714 21.099 ( -8.659 7.498 5.958) 12.912 21.802 ( 3.995 -7.027 0.817) 8.125 ======================= Grid point 475 (86/162) ======================= q-point: ( 0.33 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( -0.565 1.924 -4.800) 5.202 2.025 ( 1.620 5.354 3.754) 6.737 2.485 ( 6.481 2.504 5.044) 8.585 2.823 ( 0.316 -6.276 0.744) 6.328 3.607 ( 18.402 6.999 11.861) 22.984 5.251 ( -10.004 -9.090 1.246) 13.574 5.910 ( 44.793 26.579 2.403) 52.140 7.360 ( 4.065 -1.347 -3.409) 5.473 7.589 ( 6.562 8.692 -5.198) 12.068 8.919 ( -8.284 -2.762 6.214) 10.718 9.427 ( -13.914 -12.012 -4.532) 18.932 9.796 ( -2.279 -17.990 0.355) 18.137 10.075 ( -28.060 0.798 -1.376) 28.105 11.894 ( 14.748 -5.944 5.256) 16.747 11.994 ( -0.523 20.550 4.402) 21.023 14.688 ( -6.342 12.298 -0.212) 13.839 14.811 ( 8.882 -13.844 0.296) 16.451 16.102 ( 10.797 4.940 1.440) 11.960 16.244 ( 15.750 -6.254 -10.218) 19.789 17.290 ( 11.708 14.380 -15.991) 24.486 17.566 ( 6.744 10.090 7.203) 14.113 18.087 ( -5.756 -2.997 1.755) 6.722 19.170 ( -11.168 -12.296 -5.513) 17.501 19.960 ( -2.692 0.244 -3.638) 4.532 20.801 ( -2.905 2.104 -3.048) 4.707 21.046 ( -5.946 6.803 5.129) 10.389 21.784 ( 2.472 -7.270 0.037) 7.679 ======================= Grid point 476 (87/162) ======================= q-point: ( 0.42 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( -0.964 3.007 -7.412) 8.057 2.061 ( -0.597 1.638 3.908) 4.279 2.588 ( 4.025 -0.768 2.378) 4.737 2.816 ( 2.210 -0.467 3.824) 4.441 4.005 ( 18.875 7.899 8.988) 22.348 4.922 ( -14.077 -12.984 6.577) 20.249 6.886 ( 39.925 20.741 0.941) 45.001 7.411 ( 3.883 -2.249 -3.260) 5.547 7.765 ( 2.452 6.045 -4.152) 7.733 8.779 ( -7.676 2.295 5.527) 9.733 9.106 ( -8.988 -11.664 -1.902) 14.848 9.412 ( -14.603 -22.056 -1.483) 26.494 9.782 ( -12.447 7.286 -1.581) 14.509 12.045 ( 11.727 -9.485 6.541) 16.440 12.153 ( -4.878 20.204 5.390) 21.472 14.696 ( -7.550 13.410 0.312) 15.392 14.804 ( 7.817 -15.454 -0.300) 17.321 16.230 ( 7.768 -2.121 6.528) 10.366 16.531 ( 17.586 -6.539 -9.861) 21.196 17.513 ( 2.749 4.405 1.442) 5.389 17.655 ( -5.384 12.081 2.443) 13.450 17.954 ( -5.750 -1.642 3.445) 6.901 19.006 ( 0.346 -6.271 -12.782) 14.242 19.926 ( -1.743 0.920 -7.646) 7.896 20.780 ( -2.783 3.382 -3.805) 5.801 21.025 ( -4.294 6.378 4.454) 8.886 21.754 ( 2.466 -6.889 -0.341) 7.325 ======================= Grid point 477 (88/162) ======================= q-point: (-0.50 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( -1.882 3.259 -8.354) 9.162 2.061 ( -0.294 0.509 4.458) 4.497 2.615 ( 1.798 -3.114 1.100) 3.760 2.842 ( -0.327 0.567 5.082) 5.124 4.304 ( 0.917 -1.589 -1.429) 2.325 4.636 ( 2.751 -4.764 17.909) 18.735 7.404 ( 3.910 -6.773 -2.615) 8.246 7.597 ( 0.884 -1.530 -2.949) 3.438 7.642 ( -1.977 3.424 -1.228) 4.140 8.748 ( -6.563 11.367 5.423) 14.201 8.914 ( 3.623 -6.275 1.073) 7.324 9.149 ( 4.849 -8.398 -4.237) 10.583 9.713 ( -4.076 7.060 -1.706) 8.329 12.100 ( 7.105 -12.306 6.938) 15.813 12.213 ( -10.074 17.449 5.690) 20.936 14.696 ( -8.142 14.103 0.581) 16.295 14.792 ( 8.972 -15.540 -0.867) 17.965 16.302 ( 2.567 -4.447 10.557) 11.739 16.645 ( 9.646 -16.708 -9.985) 21.723 17.547 ( -2.907 5.035 17.659) 18.592 17.652 ( -5.025 8.704 -12.241) 15.839 17.904 ( -2.614 4.528 2.906) 5.982 18.986 ( 2.937 -5.087 -11.968) 13.331 19.917 ( -0.781 1.352 -9.915) 10.038 20.773 ( -2.379 4.121 -4.187) 6.339 21.020 ( -3.650 6.321 4.228) 8.435 21.740 ( 3.552 -6.153 -0.432) 7.117 ======================= Grid point 485 (89/162) ======================= q-point: ( 0.08 0.08 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( 8.689 15.050 8.864) 19.508 1.657 ( 15.448 26.756 14.456) 34.110 2.136 ( -1.916 -3.319 -14.891) 15.376 2.615 ( 1.880 3.256 18.528) 18.906 3.267 ( 6.185 10.712 -9.385) 15.527 3.816 ( 5.921 10.256 7.156) 13.837 5.658 ( -2.155 -3.732 0.404) 4.328 7.251 ( 1.506 2.608 -5.416) 6.197 7.289 ( 2.144 3.713 -5.646) 7.089 9.399 ( -5.104 -8.841 3.746) 10.874 9.948 ( -3.009 -5.212 3.013) 6.731 10.134 ( -4.345 -7.525 -4.145) 9.627 10.899 ( 8.950 15.501 -3.466) 18.232 11.308 ( -5.118 -8.864 1.127) 10.298 11.673 ( 5.107 8.845 0.909) 10.254 14.545 ( -1.595 -2.763 -3.413) 4.672 14.872 ( 3.271 5.666 -4.328) 7.845 14.999 ( 8.266 14.318 -3.156) 16.831 15.783 ( 24.175 41.872 -22.107) 53.164 16.364 ( -4.916 -8.515 -7.678) 12.474 16.894 ( 7.357 12.743 -11.476) 18.660 18.231 ( -0.207 -0.359 1.646) 1.697 20.012 ( 0.318 0.550 -1.312) 1.457 20.354 ( -15.879 -27.504 9.509) 33.152 20.898 ( -1.016 -1.760 -1.161) 2.340 21.404 ( 0.450 0.779 2.804) 2.944 21.615 ( -0.547 -0.947 5.373) 5.483 ======================= Grid point 486 (90/162) ======================= q-point: ( 0.17 0.08 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( 3.346 8.068 5.361) 10.248 1.932 ( 1.247 2.960 5.388) 6.272 2.334 ( 7.279 22.441 0.186) 23.593 2.727 ( 10.445 -2.464 6.613) 12.606 3.184 ( -1.273 -7.260 2.890) 7.917 4.486 ( 30.873 38.300 4.362) 49.387 5.550 ( -4.626 -6.686 -0.570) 8.150 7.281 ( 0.392 0.727 -4.942) 5.010 7.391 ( 4.529 5.408 -5.518) 8.956 9.205 ( -7.402 -7.395 4.979) 11.587 9.806 ( -4.814 -12.652 1.457) 13.615 9.926 ( -7.869 -10.856 -4.070) 14.012 10.923 ( -19.881 6.899 -0.924) 21.064 11.323 ( 17.436 -8.491 0.787) 19.410 11.897 ( 5.998 16.308 2.334) 17.532 14.529 ( 4.203 -6.169 -1.367) 7.589 14.916 ( -6.032 13.638 -2.428) 15.109 15.392 ( 21.716 6.776 -3.624) 23.036 16.184 ( -4.863 -7.162 -6.694) 10.944 16.630 ( 26.416 32.966 -21.727) 47.504 17.187 ( 10.138 16.578 -10.096) 21.898 18.207 ( -1.581 -1.927 1.324) 2.822 19.776 ( -19.422 -25.663 7.416) 33.027 20.013 ( -0.490 -0.405 -1.394) 1.533 20.874 ( -1.142 0.139 -2.018) 2.323 21.332 ( -9.660 5.264 3.435) 11.525 21.636 ( 6.051 -7.401 4.158) 10.425 ======================= Grid point 487 (91/162) ======================= q-point: ( 0.25 0.08 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( -1.558 5.123 -1.682) 5.613 2.007 ( 5.368 0.646 2.869) 6.121 2.521 ( -2.662 10.145 5.818) 11.994 2.827 ( -0.708 6.981 0.302) 7.023 3.362 ( 19.344 6.949 11.456) 23.531 5.315 ( -0.368 1.618 0.484) 1.729 5.480 ( 29.927 20.882 3.183) 36.631 7.284 ( 1.653 -3.158 -3.868) 5.260 7.553 ( 6.738 7.702 -5.099) 11.433 9.030 ( -6.964 -2.068 5.818) 9.307 9.508 ( -11.431 -17.635 -1.873) 21.099 9.686 ( -5.888 -15.563 -2.466) 16.821 10.582 ( -25.867 6.778 -0.042) 26.740 11.538 ( 17.334 -9.685 2.595) 20.025 12.163 ( 4.029 18.734 4.058) 19.588 14.543 ( 6.005 -9.685 -0.651) 11.414 14.952 ( -6.341 14.874 0.213) 16.170 15.822 ( 22.189 2.778 -4.294) 22.771 16.062 ( -0.111 -7.158 -3.551) 7.991 17.252 ( 13.931 21.478 -12.566) 28.519 17.549 ( 10.885 17.472 -4.131) 20.995 18.134 ( -3.796 -3.759 1.421) 5.528 19.255 ( -14.780 -17.312 -2.912) 22.949 19.983 ( -1.512 -2.147 -2.436) 3.582 20.860 ( -1.540 1.731 -2.661) 3.528 21.228 ( -8.116 5.181 3.712) 10.319 21.651 ( 4.352 -7.724 2.545) 9.223 ======================= Grid point 488 (92/162) ======================= q-point: ( 0.33 0.08 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( -1.412 5.205 -5.505) 7.706 2.072 ( 1.445 -0.449 1.699) 2.275 2.542 ( 0.957 -0.158 3.202) 3.345 2.919 ( -3.418 18.396 4.037) 19.142 3.792 ( 17.999 12.200 11.645) 24.666 5.050 ( -13.805 -10.524 3.058) 17.627 6.389 ( 40.092 20.497 3.046) 45.130 7.284 ( 4.374 -6.733 -2.843) 8.518 7.746 ( 6.183 6.168 -4.052) 9.628 8.930 ( -6.658 2.476 5.378) 8.910 9.132 ( -9.853 -16.388 -1.923) 19.218 9.403 ( -8.793 -15.686 -3.055) 18.240 10.218 ( -24.998 9.126 -0.463) 26.616 11.712 ( 15.134 -11.655 4.389) 19.600 12.381 ( 0.072 17.647 5.275) 18.419 14.535 ( 5.928 -12.314 -0.968) 13.700 14.984 ( -7.693 15.622 1.771) 17.504 16.051 ( 8.095 -6.951 -1.028) 10.720 16.170 ( 16.449 -3.304 -1.339) 16.831 17.537 ( 2.833 8.498 5.903) 10.728 17.832 ( 2.070 16.597 -4.864) 17.419 18.014 ( -4.580 -3.950 2.254) 6.455 18.982 ( -4.410 -5.584 -14.968) 16.573 19.931 ( -0.791 -3.634 -5.663) 6.775 20.856 ( -1.948 3.420 -3.463) 5.242 21.163 ( -5.347 4.806 3.260) 7.894 21.638 ( 2.975 -7.013 1.663) 7.797 ======================= Grid point 489 (93/162) ======================= q-point: ( 0.42 0.08 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( -1.893 5.233 -8.462) 10.128 2.065 ( -0.372 -0.961 3.520) 3.668 2.557 ( 1.788 -2.010 1.759) 3.214 3.028 ( -7.675 20.416 4.496) 22.270 4.192 ( 14.540 10.780 5.910) 19.041 4.691 ( -14.635 -9.544 11.512) 20.923 7.130 ( 24.902 0.966 -0.638) 24.929 7.341 ( 14.373 -2.680 -0.623) 14.634 7.770 ( -6.958 -6.397 -0.831) 9.488 8.772 ( -0.500 -10.906 -0.262) 10.921 8.999 ( -2.911 2.488 1.222) 4.020 9.133 ( -11.651 2.260 -2.325) 12.093 9.960 ( -14.589 9.928 -1.174) 17.686 11.813 ( 11.318 -14.167 5.266) 18.882 12.501 ( -5.028 15.076 5.823) 16.926 14.514 ( 6.620 -13.058 -1.343) 14.702 14.997 ( -9.005 16.113 1.871) 18.553 16.163 ( 10.178 -4.802 6.639) 13.066 16.292 ( 8.683 -15.078 -1.585) 17.472 17.605 ( 0.828 3.885 16.137) 16.619 17.820 ( -6.860 -0.347 -1.262) 6.984 18.053 ( -3.026 15.280 -10.183) 18.610 18.924 ( -0.171 -1.647 -13.533) 13.634 19.898 ( 1.406 -4.037 -9.655) 10.559 20.858 ( -2.444 4.474 -4.124) 6.557 21.136 ( -3.415 4.645 2.895) 6.451 21.622 ( 2.933 -6.086 1.327) 6.885 ======================= Grid point 498 (94/162) ======================= q-point: ( 0.17 0.17 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( 3.621 6.272 1.560) 7.408 1.918 ( -0.202 -0.351 0.950) 1.032 2.617 ( -2.585 -4.478 3.721) 6.370 2.966 ( 17.888 30.983 3.454) 35.942 3.134 ( 2.276 3.941 9.301) 10.355 5.260 ( 22.735 39.379 4.885) 45.732 5.386 ( -5.743 -9.947 -0.636) 11.504 7.253 ( -1.844 -3.194 -4.120) 5.529 7.530 ( 4.854 8.407 -4.833) 10.844 9.087 ( -2.266 -3.924 5.209) 6.904 9.499 ( -10.804 -18.714 1.005) 21.632 9.675 ( -7.942 -13.756 -5.048) 16.667 10.997 ( -3.291 -5.700 4.145) 7.779 11.185 ( 0.421 0.729 -2.258) 2.409 12.221 ( 9.105 15.770 3.852) 18.613 14.439 ( -2.031 -3.518 -0.374) 4.080 15.124 ( 4.133 7.159 -1.867) 8.475 15.597 ( 7.983 13.828 -1.437) 16.031 16.029 ( -4.077 -7.062 -4.129) 9.140 17.237 ( 14.671 25.411 -11.274) 31.433 17.543 ( 11.023 19.092 -8.060) 23.473 18.147 ( -2.494 -4.320 1.328) 5.162 19.301 ( -12.043 -20.860 -2.660) 24.233 19.983 ( -1.662 -2.878 -1.751) 3.757 20.882 ( 0.436 0.755 -2.393) 2.547 21.368 ( -1.294 -2.241 0.403) 2.618 21.531 ( -1.214 -2.102 6.231) 6.687 ======================= Grid point 499 (95/162) ======================= q-point: ( 0.25 0.17 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( -3.088 5.794 -2.325) 6.965 1.993 ( 6.085 -1.004 -0.805) 6.220 2.537 ( -1.509 -2.468 2.854) 4.063 3.215 ( -3.264 22.329 8.960) 24.280 3.614 ( 21.354 20.092 6.817) 30.102 5.155 ( -9.626 -10.258 0.910) 14.097 6.012 ( 27.711 25.353 5.619) 37.977 7.172 ( -0.642 -7.884 -2.600) 8.327 7.703 ( 5.595 6.857 -3.368) 9.469 9.044 ( -7.799 -4.564 2.935) 9.501 9.110 ( -5.372 -13.990 0.464) 14.993 9.417 ( -6.996 -10.368 -4.420) 13.266 10.734 ( -23.863 7.277 1.983) 25.027 11.308 ( 16.539 -13.369 1.018) 21.291 12.497 ( 5.144 14.910 5.056) 16.563 14.376 ( 0.778 -7.399 -0.553) 7.460 15.228 ( -2.487 12.559 0.766) 12.825 15.856 ( 8.711 1.391 -1.336) 8.922 15.952 ( 4.857 -3.992 0.903) 6.351 17.565 ( 3.936 8.493 8.343) 12.539 17.908 ( 9.134 18.978 -8.637) 22.764 18.037 ( -4.088 -5.996 1.798) 7.476 19.021 ( -5.060 -5.205 -18.187) 19.582 19.901 ( -2.243 -6.310 -3.135) 7.394 20.904 ( 0.058 2.733 -2.930) 4.007 21.289 ( -5.337 0.672 0.715) 5.426 21.526 ( 2.826 -4.281 4.546) 6.854 ======================= Grid point 500 (96/162) ======================= q-point: ( 0.33 0.17 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( -1.696 4.935 -5.303) 7.440 2.042 ( 1.652 -1.988 0.009) 2.585 2.519 ( 0.820 -0.995 2.183) 2.536 3.402 ( -4.746 26.845 6.843) 28.107 4.090 ( 12.918 17.351 7.050) 22.751 4.863 ( -13.707 -7.708 5.426) 16.636 6.684 ( 29.343 9.448 3.931) 31.076 7.106 ( 5.034 -10.302 -0.411) 11.474 7.776 ( -1.708 -5.111 0.517) 5.414 8.702 ( -5.963 -14.729 -1.738) 15.985 9.026 ( -5.566 -7.336 -3.952) 10.020 9.368 ( -0.771 16.159 0.927) 16.203 10.385 ( -24.066 7.306 0.390) 25.154 11.435 ( 15.086 -16.494 2.691) 22.514 12.679 ( 0.165 12.581 5.705) 13.816 14.321 ( 2.697 -9.328 -1.245) 9.790 15.292 ( -6.166 15.235 2.531) 16.629 15.916 ( 7.281 -6.118 0.886) 9.551 16.072 ( 7.853 -6.256 6.545) 11.985 17.613 ( 0.356 0.471 17.014) 17.024 17.884 ( -5.452 -6.319 2.793) 8.801 18.228 ( 4.326 19.535 -15.190) 25.121 18.968 ( -3.068 3.513 -18.566) 19.143 19.806 ( 0.784 -9.139 -6.912) 11.485 20.934 ( -0.934 4.393 -3.510) 5.700 21.222 ( -3.306 0.843 0.679) 3.479 21.529 ( 2.157 -3.710 3.488) 5.530 ======================= Grid point 501 (97/162) ======================= q-point: ( 0.42 0.17 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( -2.226 3.855 -7.902) 9.070 2.039 ( 0.844 -1.462 2.570) 3.075 2.525 ( 0.686 -1.187 1.651) 2.146 3.508 ( -14.530 25.166 4.943) 29.476 4.353 ( -1.352 2.342 1.962) 3.341 4.628 ( -3.505 6.070 13.374) 15.099 6.974 ( 7.089 -12.278 -3.064) 14.505 7.238 ( 6.795 -11.769 4.624) 14.355 7.593 ( 4.371 -7.572 5.295) 10.221 8.614 ( 2.224 -3.852 -3.603) 5.724 8.904 ( 2.720 -4.712 -5.692) 7.874 9.499 ( -12.826 22.215 1.902) 25.722 10.171 ( -7.082 12.266 -0.435) 14.170 11.484 ( 11.101 -19.227 3.158) 22.425 12.743 ( -5.464 9.464 5.894) 12.416 14.296 ( 5.100 -8.834 -1.560) 10.319 15.315 ( -8.993 15.576 2.735) 18.192 15.975 ( 7.147 -12.379 2.181) 14.460 16.082 ( 3.889 -6.736 10.153) 12.790 17.638 ( 0.328 -0.569 15.459) 15.473 17.777 ( 1.220 -2.112 3.298) 4.102 18.378 ( -8.597 14.890 -19.769) 26.200 18.952 ( -2.653 4.596 -11.863) 12.995 19.767 ( 5.188 -8.985 -9.853) 14.308 20.949 ( -2.633 4.560 -3.794) 6.490 21.197 ( -0.785 1.360 0.603) 1.682 21.528 ( 1.877 -3.251 3.197) 4.931 ======================= Grid point 508 (98/162) ======================= q-point: (-0.08 0.17 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( -11.820 20.473 4.987) 24.160 1.678 ( -4.437 7.686 15.170) 17.575 2.390 ( -1.235 2.139 -3.400) 4.203 2.851 ( -5.963 10.329 -8.195) 14.471 3.131 ( -19.042 32.981 8.662) 39.056 3.717 ( 4.622 -8.006 5.719) 10.870 5.678 ( 1.289 -2.233 -0.069) 2.580 7.168 ( -0.927 1.606 -4.462) 4.832 7.324 ( -1.828 3.167 -5.462) 6.573 9.411 ( 4.915 -8.512 3.406) 10.403 10.065 ( 1.546 -2.678 1.856) 3.607 10.112 ( 3.627 -6.283 -3.825) 8.201 10.785 ( -6.259 10.841 -2.207) 12.711 11.354 ( 4.528 -7.843 0.629) 9.078 11.622 ( -3.955 6.850 1.173) 7.996 14.527 ( 1.851 -3.207 -1.723) 4.084 14.933 ( -7.653 13.256 -2.971) 15.592 15.068 ( -5.320 9.214 -6.155) 12.291 15.686 ( -23.409 40.546 -23.237) 52.268 16.542 ( 2.042 -3.537 -12.466) 13.118 16.737 ( -5.563 9.635 -6.417) 12.844 18.234 ( 0.158 -0.274 1.529) 1.561 20.004 ( 0.045 -0.077 -1.152) 1.155 20.488 ( 14.157 -24.521 9.749) 29.946 20.885 ( 2.456 -4.254 -1.292) 5.079 21.063 ( 3.763 -6.518 7.556) 10.665 21.836 ( -3.394 5.879 0.859) 6.842 ======================= Grid point 512 (99/162) ======================= q-point: ( 0.25 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( 0.942 1.631 1.482) 2.397 1.986 ( 0.506 0.876 -6.901) 6.975 2.508 ( -0.229 -0.396 2.336) 2.380 3.589 ( 9.915 17.173 12.940) 23.679 4.079 ( 13.001 22.518 1.048) 26.023 4.952 ( -5.703 -9.878 3.019) 11.800 6.454 ( 11.582 20.061 6.695) 24.113 7.005 ( -4.518 -7.826 -0.217) 9.039 7.761 ( -2.168 -3.755 1.046) 4.460 8.681 ( -8.422 -14.587 -2.203) 16.987 9.040 ( -5.331 -9.234 -4.541) 11.589 9.453 ( 8.671 15.019 0.889) 17.365 10.776 ( -4.365 -7.560 3.660) 9.466 11.082 ( -3.061 -5.303 -1.158) 6.231 12.740 ( 5.573 9.653 5.624) 12.485 14.250 ( -3.059 -5.298 -1.136) 6.222 15.434 ( 4.907 8.500 2.121) 10.041 15.870 ( -0.828 -1.435 2.112) 2.685 15.913 ( 0.492 0.853 6.716) 6.787 17.611 ( -0.639 -1.107 17.684) 17.731 17.898 ( -4.447 -7.703 2.834) 9.335 18.284 ( 10.530 18.238 -14.920) 25.809 19.029 ( 2.197 3.805 -23.068) 23.483 19.742 ( -5.411 -9.371 -4.029) 11.547 20.965 ( 1.929 3.342 -3.103) 4.951 21.256 ( -1.860 -3.221 -1.092) 3.877 21.489 ( -0.077 -0.133 5.079) 5.081 ======================= Grid point 513 (100/162) ======================= q-point: ( 0.33 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( -1.482 2.535 -4.594) 5.452 2.007 ( 1.406 -1.401 -0.885) 2.173 2.510 ( 0.329 -0.072 1.606) 1.641 3.887 ( 0.181 21.464 9.648) 23.533 4.350 ( 2.224 3.693 3.495) 5.550 4.817 ( -6.012 5.375 3.549) 8.811 6.751 ( 7.525 -3.024 -1.798) 8.307 6.980 ( 11.203 1.088 8.494) 14.101 7.510 ( -9.223 -19.584 7.292) 22.842 8.582 ( 1.380 1.657 -5.324) 5.744 8.849 ( -3.883 -9.067 -6.028) 11.559 9.820 ( 5.494 26.213 1.034) 26.803 10.475 ( -19.610 0.485 1.173) 19.651 11.082 ( 11.965 -17.970 0.397) 21.592 12.870 ( 0.055 6.642 5.840) 8.844 14.176 ( 0.660 -5.236 -1.646) 5.528 15.566 ( -1.968 12.238 3.398) 12.852 15.824 ( -0.805 -3.160 6.800) 7.542 15.937 ( 5.071 -7.365 9.204) 12.832 17.610 ( 1.663 0.266 13.179) 13.286 17.753 ( -3.166 -6.460 4.725) 8.607 18.578 ( 2.745 14.576 -21.644) 26.239 19.088 ( -3.467 8.354 -13.516) 16.264 19.579 ( 1.515 -13.521 -7.179) 15.384 21.025 ( -0.215 4.776 -3.120) 5.709 21.195 ( -0.823 -3.122 -1.398) 3.518 21.493 ( 0.501 -0.370 4.463) 4.506 ======================= Grid point 519 (101/162) ======================= q-point: (-0.17 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( -10.526 12.754 1.615) 16.616 1.741 ( -2.858 -0.630 7.602) 8.146 2.421 ( 0.907 6.229 2.077) 6.628 3.043 ( -1.226 13.529 -2.384) 13.792 3.315 ( 2.709 -2.251 5.803) 6.789 4.273 ( -40.066 35.618 7.519) 54.133 5.607 ( 4.237 -3.098 -1.627) 5.495 7.244 ( -4.685 3.702 -3.893) 7.128 7.374 ( -1.658 1.110 -5.429) 5.784 9.213 ( 8.113 -8.018 4.433) 12.238 9.913 ( 10.040 -9.228 -4.300) 14.298 9.973 ( 2.724 -7.838 0.519) 8.314 10.813 ( 16.810 5.028 -0.720) 17.561 11.317 ( -15.455 -12.287 1.788) 19.825 11.797 ( -5.013 12.126 2.985) 13.457 14.490 ( -2.373 -6.172 -0.516) 6.632 15.067 ( 7.803 21.072 -2.615) 22.621 15.425 ( -23.582 4.959 -3.232) 24.313 16.384 ( -0.044 15.272 -16.576) 22.539 16.543 ( -19.004 14.102 -21.211) 31.780 17.025 ( -14.546 12.972 -3.929) 19.882 18.209 ( 1.715 -1.983 1.141) 2.860 19.926 ( 22.438 -20.486 9.484) 31.829 19.989 ( 0.681 -1.954 -0.950) 2.277 20.826 ( 1.357 -2.704 -2.290) 3.794 20.965 ( -0.547 -8.621 7.388) 11.367 21.904 ( 0.841 4.258 -0.393) 4.358 ======================= Grid point 525 (102/162) ======================= q-point: ( 0.33 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.990 ( -0.277 -0.480 -2.692) 2.749 1.990 ( 0.277 0.480 -2.692) 2.749 2.511 ( -0.000 -0.000 1.358) 1.358 4.229 ( -6.474 -11.214 8.540) 15.511 4.229 ( 6.474 11.214 8.540) 15.511 4.929 ( -0.000 -0.000 -2.480) 2.480 6.691 ( -0.000 -0.000 -3.754) 3.754 7.146 ( -7.360 -12.748 10.912) 18.324 7.146 ( 7.360 12.748 10.912) 18.324 8.685 ( -3.691 -6.394 -6.186) 9.632 8.685 ( 3.691 6.394 -6.186) 9.632 10.300 ( -9.760 -16.905 1.329) 19.565 10.300 ( 9.760 16.905 1.329) 19.565 10.869 ( -0.000 -0.000 -1.141) 1.141 12.936 ( -0.000 -0.000 5.851) 5.851 14.123 ( -0.000 -0.000 -1.800) 1.800 15.748 ( 0.000 0.000 -0.185) 0.185 15.798 ( -1.380 -2.391 11.642) 11.965 15.798 ( 1.380 2.391 11.642) 11.965 17.648 ( -1.910 -3.307 8.000) 8.865 17.648 ( 1.910 3.307 8.000) 8.865 18.734 ( -0.000 -0.000 -26.224) 26.224 19.303 ( -6.703 -11.610 -7.820) 15.520 19.303 ( 6.703 11.610 -7.820) 15.520 21.117 ( -2.250 -3.897 -2.402) 5.100 21.117 ( 2.250 3.897 -2.402) 5.100 21.493 ( -0.000 -0.000 4.467) 4.467 ======================= Grid point 532 (103/162) ======================= q-point: (-0.25 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( 0.767 0.308 -2.371) 2.511 1.916 ( -7.390 3.994 2.785) 8.850 2.501 ( -1.728 8.176 4.340) 9.416 3.037 ( 10.323 9.964 1.359) 14.412 3.490 ( -13.473 11.512 8.657) 19.723 5.295 ( -26.911 22.493 5.070) 35.438 5.511 ( -8.370 5.504 -1.304) 10.102 7.361 ( -2.430 3.091 -3.553) 5.299 7.439 ( -7.475 1.017 -4.820) 8.952 9.000 ( 8.326 -6.119 5.060) 11.505 9.614 ( 13.650 -9.255 -4.420) 17.074 9.821 ( 2.120 -14.787 -1.192) 14.986 10.435 ( 29.095 3.950 0.674) 29.370 11.518 ( -20.975 -14.710 3.352) 25.837 12.009 ( -4.030 14.255 5.318) 15.740 14.475 ( -4.284 -8.613 0.117) 9.620 15.121 ( 8.723 18.394 -0.950) 20.380 15.884 ( -21.890 6.874 -1.666) 23.005 16.372 ( 2.696 6.971 -10.407) 12.813 17.047 ( -17.229 10.761 -16.910) 26.431 17.428 ( -12.623 13.809 0.493) 18.716 18.130 ( 4.056 -4.290 1.299) 6.045 19.407 ( 18.092 -10.888 1.014) 21.140 19.941 ( 1.132 -4.431 -1.708) 4.882 20.775 ( 1.166 -3.147 -2.365) 4.106 20.913 ( -2.646 -7.655 6.208) 10.205 21.905 ( 3.208 3.633 -1.230) 5.000 ======================= Grid point 533 (104/162) ======================= q-point: (-0.17 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.715 ( 0.361 -0.626 -0.261) 0.768 1.872 ( -5.215 9.032 0.993) 10.476 2.534 ( -3.276 5.673 3.930) 7.639 3.266 ( -0.729 1.262 7.668) 7.805 3.365 ( -9.800 16.974 0.274) 19.601 5.098 ( -26.219 45.413 7.607) 52.988 5.520 ( 3.392 -5.875 -2.631) 7.276 7.362 ( -4.565 7.906 -2.791) 9.547 7.369 ( 0.801 -1.387 -5.328) 5.564 9.045 ( 4.997 -8.655 4.421) 10.928 9.722 ( 6.035 -10.452 -4.363) 12.834 9.724 ( 9.015 -15.614 -1.365) 18.082 10.941 ( 1.013 -1.755 0.402) 2.066 11.032 ( 4.321 -7.484 3.549) 9.343 12.045 ( -7.181 12.438 5.297) 15.308 14.394 ( 2.233 -3.868 0.029) 4.466 15.386 ( -3.694 6.397 -1.663) 7.572 15.623 ( -11.446 19.825 -1.748) 22.959 16.439 ( 0.221 -0.383 -12.137) 12.145 16.944 ( -10.424 18.054 -13.302) 24.730 17.393 ( -12.159 21.060 -4.422) 24.716 18.143 ( 2.840 -4.919 1.134) 5.792 19.517 ( 10.911 -18.898 3.024) 22.030 19.926 ( 2.565 -4.443 -0.919) 5.212 20.775 ( 1.473 -2.551 -2.387) 3.791 20.840 ( 2.451 -4.245 6.962) 8.514 21.952 ( -0.542 0.938 -1.734) 2.045 ======================= Grid point 545 (105/162) ======================= q-point: (-0.33 0.42 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( 0.145 0.477 -5.329) 5.352 2.015 ( -2.759 0.130 3.023) 4.095 2.612 ( -1.719 6.604 2.493) 7.265 2.995 ( 8.907 15.349 3.542) 18.096 3.875 ( -15.276 14.964 8.672) 23.076 5.172 ( 15.735 -3.680 2.456) 16.346 6.412 ( -43.055 24.223 2.697) 49.475 7.400 ( -2.590 -1.672 -4.219) 5.225 7.619 ( -9.161 2.540 -3.000) 9.969 8.813 ( 7.469 -4.999 4.206) 9.923 9.289 ( 13.163 -9.733 -3.081) 16.658 9.603 ( 5.347 -16.612 -2.734) 17.664 9.988 ( 27.737 8.755 1.401) 29.120 11.706 ( -19.027 -17.244 4.570) 26.082 12.194 ( -1.237 13.461 6.988) 15.217 14.462 ( -5.153 -10.413 0.144) 11.620 15.130 ( 10.078 16.490 -0.515) 19.333 16.223 ( -8.602 6.466 2.819) 11.124 16.520 ( -10.869 9.248 -9.890) 17.363 17.367 ( -12.605 2.661 -7.459) 14.886 17.602 ( 3.030 5.538 8.365) 10.480 17.991 ( 5.580 -6.359 2.500) 8.822 19.146 ( 7.513 1.295 -10.271) 12.791 19.879 ( -0.371 -5.775 -4.706) 7.459 20.730 ( 0.156 -3.456 -2.791) 4.445 20.897 ( -3.479 -6.643 5.201) 9.126 21.878 ( 3.961 3.872 -1.680) 5.788 ======================= Grid point 546 (106/162) ======================= q-point: (-0.25 0.42 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( 0.071 0.936 -3.323) 3.453 1.984 ( -2.038 1.986 1.296) 3.127 2.643 ( -2.334 5.901 1.968) 6.644 3.315 ( 5.057 17.633 7.045) 19.650 3.761 ( -15.624 16.034 3.868) 22.719 5.357 ( 9.488 -4.430 -1.258) 10.547 6.001 ( -33.640 31.513 6.475) 46.547 7.329 ( -0.270 -4.899 -5.168) 7.126 7.536 ( -6.333 7.135 -1.563) 9.667 8.881 ( 5.925 -5.990 3.004) 8.944 9.356 ( 12.216 -19.460 -2.663) 23.130 9.563 ( 3.084 -5.985 -3.271) 7.485 10.581 ( 30.380 8.771 2.304) 31.705 11.172 ( -21.782 -20.170 3.428) 29.884 12.269 ( -4.659 11.889 7.101) 14.612 14.330 ( -0.454 -6.297 -0.151) 6.315 15.433 ( 6.417 12.047 -0.380) 13.654 16.057 ( -17.471 11.793 -1.177) 21.111 16.463 ( -2.674 2.940 -8.423) 9.314 17.224 ( -8.310 6.276 2.790) 10.780 17.713 ( -3.652 13.914 -4.203) 14.987 18.013 ( 5.036 -7.598 1.858) 9.303 19.255 ( 5.820 -3.613 -8.417) 10.852 19.825 ( 2.105 -7.118 -2.279) 7.765 20.720 ( 1.938 -2.358 -1.756) 3.522 20.792 ( -1.527 -4.777 5.379) 7.354 21.953 ( 1.485 1.471 -2.456) 3.225 ======================= Grid point 558 (107/162) ======================= q-point: (-0.42 0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( 0.222 0.529 -6.112) 6.138 2.039 ( -1.210 -1.262 3.808) 4.190 2.672 ( 0.749 3.994 0.433) 4.087 3.015 ( 9.116 18.026 4.811) 20.765 4.265 ( -11.828 13.022 3.116) 17.865 4.846 ( 16.813 -1.453 9.846) 19.538 7.268 ( -32.911 12.418 0.284) 35.177 7.423 ( -3.152 -3.272 -4.133) 6.142 7.700 ( 2.639 -5.421 -1.198) 6.147 8.655 ( 4.014 -4.072 2.177) 6.118 8.989 ( 7.211 -11.404 -0.457) 13.501 9.384 ( 10.600 5.632 -2.255) 12.213 9.734 ( 10.291 5.376 0.204) 11.613 11.814 ( -14.937 -20.096 5.145) 25.562 12.302 ( 3.107 11.148 7.734) 13.919 14.449 ( -5.924 -11.102 -0.101) 12.584 15.117 ( 10.098 16.378 -0.718) 19.254 16.360 ( -1.355 5.443 8.278) 9.999 16.784 ( -7.642 4.645 -11.113) 14.265 17.456 ( -1.729 -7.910 16.803) 18.652 17.605 ( 2.780 10.077 -11.008) 15.181 17.851 ( 1.953 -6.208 4.927) 8.162 19.102 ( 3.803 5.812 -11.899) 13.778 19.850 ( -2.650 -5.642 -8.457) 10.506 20.704 ( -1.150 -3.383 -3.361) 4.906 20.894 ( -3.622 -6.289 4.807) 8.705 21.855 ( 3.450 4.636 -1.824) 6.060 ======================= Grid point 559 (108/162) ======================= q-point: (-0.33 0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( 0.402 2.298 -3.721) 4.392 2.005 ( -0.871 -1.612 2.285) 2.929 2.716 ( -0.410 4.052 -0.162) 4.075 3.417 ( 9.249 25.838 5.656) 28.020 4.179 ( -14.540 14.907 4.156) 21.235 5.107 ( 14.806 -3.035 2.531) 15.325 6.825 ( -33.036 17.317 4.654) 37.588 7.295 ( -3.286 -7.821 -5.016) 9.855 7.673 ( -2.581 1.359 0.470) 2.955 8.721 ( 6.600 -4.328 -0.179) 7.894 8.966 ( 9.054 -19.224 -2.572) 21.404 9.535 ( 0.667 7.689 -1.473) 7.857 10.157 ( 27.648 7.845 2.105) 28.816 11.313 ( -18.994 -22.486 4.111) 29.721 12.425 ( -0.807 9.861 8.065) 12.765 14.285 ( -2.397 -7.501 -0.711) 7.907 15.430 ( 8.240 13.347 -0.260) 15.688 16.362 ( -6.034 7.464 3.322) 10.156 16.612 ( -11.137 1.117 -6.198) 12.795 17.337 ( -4.055 -3.479 16.962) 17.784 17.832 ( 4.841 4.063 -5.827) 8.596 17.839 ( 4.493 2.002 -1.918) 5.280 19.212 ( 2.379 4.829 -12.726) 13.818 19.739 ( -1.435 -8.206 -5.916) 10.217 20.673 ( 0.778 -2.273 -1.813) 3.010 20.782 ( -2.702 -5.010 4.632) 7.339 21.939 ( 2.141 2.441 -2.732) 4.243 ======================= Grid point 560 (109/162) ======================= q-point: (-0.25 0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( -1.267 2.195 -2.550) 3.595 1.987 ( 0.781 -1.352 1.316) 2.042 2.733 ( -1.935 3.351 -0.406) 3.891 3.677 ( -10.079 17.457 8.782) 21.988 4.097 ( -9.994 17.310 1.130) 20.020 5.231 ( 4.774 -8.268 -1.123) 9.613 6.604 ( -16.756 29.022 7.805) 34.408 7.219 ( 3.134 -5.428 -5.279) 8.195 7.655 ( -2.025 3.508 0.933) 4.156 8.760 ( 3.675 -6.365 -0.634) 7.377 8.946 ( 11.358 -19.673 -3.322) 22.958 9.578 ( -4.069 7.047 -1.122) 8.214 10.726 ( 5.361 -9.285 3.797) 11.374 10.752 ( 4.216 -7.303 2.267) 8.732 12.467 ( -4.632 8.022 8.146) 12.336 14.227 ( 2.372 -4.108 -0.927) 4.833 15.587 ( -2.523 4.369 0.104) 5.046 16.327 ( -7.854 13.604 -0.613) 15.720 16.518 ( -1.866 3.232 -3.064) 4.829 17.281 ( -0.320 0.555 18.663) 18.674 17.833 ( 6.067 -10.508 3.306) 12.576 17.958 ( -6.255 10.834 -13.005) 18.045 19.259 ( -1.663 2.881 -13.610) 14.011 19.678 ( 4.134 -7.161 -4.143) 9.248 20.678 ( 1.208 -2.093 -1.298) 2.743 20.723 ( 1.260 -2.182 4.733) 5.362 21.970 ( -0.270 0.468 -3.048) 3.096 ======================= Grid point 570 (110/162) ======================= q-point: (-0.42 0.58 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( 1.495 2.590 -3.690) 4.749 2.001 ( -1.460 -2.528 2.807) 4.050 2.738 ( 1.585 2.745 -0.822) 3.274 3.471 ( 15.024 26.023 4.972) 30.457 4.443 ( 1.836 3.181 0.700) 3.739 4.899 ( 4.155 7.196 7.571) 11.241 7.259 ( -5.257 -9.105 -6.173) 12.192 7.338 ( -4.731 -8.194 3.976) 10.263 7.622 ( -0.536 -0.928 2.857) 3.052 8.625 ( 0.238 0.413 -1.986) 2.042 8.774 ( -4.817 -8.344 -2.656) 9.994 9.628 ( 8.837 15.306 -0.376) 17.678 9.895 ( 6.842 11.850 1.721) 13.791 11.366 ( -14.588 -25.268 4.326) 29.496 12.482 ( 4.070 7.050 8.342) 11.656 14.268 ( -4.165 -7.214 -1.011) 8.391 15.424 ( 8.174 14.158 -0.322) 16.352 16.445 ( 1.905 3.300 7.244) 8.185 16.734 ( -3.931 -6.809 -5.599) 9.652 17.350 ( -1.894 -3.281 17.773) 18.172 17.723 ( -3.611 -6.255 5.857) 9.299 17.881 ( 8.842 15.315 -14.559) 22.906 19.218 ( 3.282 5.684 -11.655) 13.376 19.714 ( -4.509 -7.809 -8.425) 12.340 20.654 ( -0.922 -1.597 -1.975) 2.702 20.781 ( -2.952 -5.113 4.484) 7.413 21.933 ( 1.819 3.151 -2.783) 4.580 ======================= Grid point 572 (111/162) ======================= q-point: (-0.33 0.58 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( 0.204 3.819 -1.614) 4.151 1.951 ( -0.217 -3.642 1.437) 3.921 2.776 ( -0.048 2.134 -1.432) 2.571 3.933 ( 5.949 24.723 6.262) 26.188 4.397 ( -9.711 5.172 2.487) 11.279 5.055 ( 7.772 -1.951 -0.126) 8.014 7.078 ( -10.055 3.746 -1.593) 10.848 7.173 ( -7.413 2.337 3.024) 8.340 7.615 ( 4.233 -8.023 4.717) 10.224 8.644 ( 3.125 -3.478 -3.709) 5.968 8.672 ( 2.379 -9.059 -4.206) 10.267 9.821 ( -7.031 20.084 0.537) 21.286 10.281 ( 27.414 4.337 2.436) 27.862 10.835 ( -17.690 -25.600 3.277) 31.290 12.576 ( -0.246 5.303 8.577) 10.087 14.171 ( -0.605 -4.007 -1.574) 4.348 15.635 ( 2.972 7.174 0.138) 7.767 16.499 ( -0.508 5.841 4.312) 7.278 16.602 ( -5.357 -1.354 0.480) 5.546 17.309 ( -2.261 1.835 17.456) 17.697 17.629 ( 3.331 -11.186 6.173) 13.203 18.117 ( 1.408 11.582 -16.685) 20.360 19.315 ( 1.076 5.398 -12.082) 13.277 19.572 ( -1.343 -8.336 -7.567) 11.338 20.644 ( 0.859 -0.567 -0.195) 1.048 20.700 ( -1.384 -3.355 3.598) 5.110 21.975 ( 0.592 1.225 -3.241) 3.515 ======================= Grid point 585 (112/162) ======================= q-point: (-0.33 -0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( -2.187 -3.788 0.149) 4.376 1.870 ( 2.187 3.788 0.149) 4.376 2.798 ( 0.000 0.000 -1.816) 1.816 4.320 ( -6.496 -11.252 5.247) 14.012 4.320 ( 6.496 11.252 5.247) 14.012 5.039 ( -0.000 -0.000 -3.524) 3.524 7.044 ( 0.000 0.000 -7.454) 7.454 7.389 ( -6.562 -11.366 8.210) 15.481 7.389 ( 6.562 11.366 8.210) 15.481 8.600 ( -0.252 -0.437 -4.962) 4.987 8.600 ( 0.252 0.437 -4.962) 4.987 10.249 ( -8.563 -14.832 1.494) 17.191 10.249 ( 8.563 14.832 1.494) 17.191 10.431 ( -0.000 -0.000 3.495) 3.495 12.629 ( 0.000 0.000 8.719) 8.719 14.131 ( 0.000 0.000 -1.930) 1.930 15.706 ( 0.000 0.000 0.284) 0.284 16.573 ( -0.951 -1.647 4.842) 5.202 16.573 ( 0.951 1.647 4.842) 5.202 17.421 ( -4.503 -7.800 10.779) 14.047 17.421 ( 4.503 7.800 10.779) 14.047 18.240 ( 0.000 0.000 -17.916) 17.916 19.427 ( -3.146 -5.448 -9.841) 11.680 19.427 ( 3.146 5.448 -9.841) 11.680 20.652 ( -0.717 -1.242 1.854) 2.344 20.652 ( 0.717 1.242 1.854) 2.344 21.987 ( 0.000 0.000 -3.382) 3.382 ======================= Grid point 628 (113/162) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( 0.000 0.000 10.497) 10.497 1.026 ( 0.000 -0.000 10.497) 10.497 2.172 ( 0.000 -0.000 -12.735) 12.735 2.172 ( 0.000 0.000 -12.735) 12.735 3.183 ( 0.000 0.000 27.655) 27.655 3.978 ( 0.000 0.000 -12.344) 12.344 5.747 ( 0.000 0.000 1.084) 1.084 7.110 ( 0.000 -0.000 -2.898) 2.898 7.110 ( 0.000 0.000 -2.898) 2.898 9.636 ( 0.000 0.000 1.403) 1.403 10.107 ( 0.000 0.000 1.643) 1.643 10.107 ( 0.000 -0.000 1.643) 1.643 10.473 ( 0.000 -0.000 -1.996) 1.996 11.524 ( -0.000 -0.000 0.083) 0.083 11.524 ( 0.000 0.000 0.083) 0.083 14.511 ( 0.000 0.000 -6.588) 6.588 14.511 ( 0.000 -0.000 -6.588) 6.588 14.692 ( 0.000 -0.000 -1.366) 1.366 14.692 ( 0.000 0.000 -1.366) 1.366 16.441 ( 0.000 0.000 -4.829) 4.829 16.441 ( 0.000 0.000 -4.829) 4.829 18.264 ( 0.000 0.000 1.413) 1.413 19.969 ( 0.000 0.000 -0.966) 0.966 20.823 ( 0.000 0.000 -0.531) 0.531 21.383 ( 0.000 0.000 3.024) 3.024 21.383 ( 0.000 -0.000 3.024) 3.024 21.568 ( 0.000 0.000 2.187) 2.187 ======================= Grid point 629 (114/162) ======================= q-point: ( 0.08 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( 7.763 21.049 9.473) 24.353 1.598 ( 41.194 4.358 9.501) 42.500 2.027 ( -3.364 -4.208 -8.210) 9.820 2.458 ( 13.381 14.753 -16.006) 25.552 3.196 ( 3.840 0.201 23.502) 23.815 3.861 ( -8.098 -3.841 -8.032) 12.035 5.723 ( -2.123 -1.382 0.744) 2.641 7.105 ( -0.357 2.353 -2.256) 3.280 7.158 ( 3.697 0.301 -3.958) 5.424 9.576 ( -5.090 -3.154 1.821) 6.259 10.090 ( 0.365 -3.408 1.899) 3.918 10.147 ( -1.922 0.651 -0.926) 2.231 10.578 ( 9.706 7.705 -1.410) 12.472 11.461 ( -3.990 -3.818 0.251) 5.528 11.561 ( 2.560 3.026 0.206) 3.969 14.520 ( 3.281 -0.929 -4.540) 5.678 14.624 ( 1.716 3.488 -2.872) 4.832 14.837 ( 17.991 1.166 -2.667) 18.225 14.877 ( 15.471 18.314 -7.566) 25.139 16.387 ( -2.595 -5.303 -4.496) 7.421 16.526 ( 5.545 6.779 -5.037) 10.103 18.265 ( 0.019 -0.009 1.291) 1.291 19.977 ( 0.601 0.424 -0.897) 1.160 20.798 ( -2.784 -2.478 1.133) 3.895 21.069 ( -17.090 -14.409 3.131) 22.572 21.361 ( -6.811 6.277 2.869) 9.697 21.708 ( 7.864 -0.284 1.250) 7.968 ======================= Grid point 630 (115/162) ======================= q-point: ( 0.17 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 724 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( 8.151 12.972 2.949) 15.602 1.959 ( -2.462 2.483 1.819) 3.942 2.181 ( 23.546 -0.485 5.634) 24.215 2.772 ( 6.586 5.689 -7.757) 11.659 3.340 ( 6.798 -3.379 5.587) 9.426 3.951 ( 23.584 20.172 3.148) 31.194 5.644 ( -4.578 -3.307 -0.134) 5.649 7.149 ( 2.187 3.626 -2.062) 4.710 7.229 ( 3.680 1.003 -4.421) 5.839 9.415 ( -8.378 -5.099 2.734) 10.181 9.991 ( -9.657 -6.476 -1.818) 11.769 10.058 ( -2.041 -3.925 0.998) 4.535 10.774 ( -2.056 2.454 -1.451) 3.514 11.431 ( 6.933 2.363 0.837) 7.373 11.671 ( 5.286 5.730 0.805) 7.837 14.608 ( 2.540 6.835 -1.465) 7.437 14.655 ( 4.896 -5.018 -1.885) 7.260 15.193 ( 18.950 8.545 -3.079) 21.014 15.566 ( 33.754 23.990 -13.139) 43.445 16.269 ( -3.357 -6.129 -5.071) 8.634 16.765 ( 12.614 10.482 -4.205) 16.932 18.256 ( -0.998 -0.611 1.067) 1.584 19.989 ( 0.070 0.344 -0.759) 0.836 20.442 ( -24.586 -19.402 8.537) 32.462 20.828 ( -3.401 -0.508 -3.001) 4.565 21.289 ( -7.801 4.920 3.707) 9.940 21.788 ( 4.037 -3.472 -0.120) 5.326 ======================= Grid point 631 (116/162) ======================= q-point: ( 0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( -0.379 1.145 -2.678) 2.937 2.007 ( 1.921 6.618 3.875) 7.906 2.461 ( 8.487 4.369 7.976) 12.439 2.826 ( 2.073 -6.142 -6.221) 8.985 3.460 ( 12.572 3.628 6.174) 14.469 4.868 ( 44.849 29.302 3.355) 53.678 5.502 ( -6.713 -5.328 -1.019) 8.631 7.238 ( 4.345 1.390 -1.447) 4.786 7.318 ( 4.657 4.818 -4.687) 8.178 9.214 ( -8.837 -4.815 3.909) 10.796 9.697 ( -14.495 -9.538 -3.161) 17.637 9.967 ( -2.969 -6.671 1.118) 7.387 10.521 ( -20.392 -7.190 -1.201) 21.656 11.709 ( 16.178 5.084 2.161) 17.095 11.847 ( 5.569 10.631 1.567) 12.103 14.660 ( -3.258 7.796 -0.460) 8.462 14.753 ( 10.384 -6.345 -0.381) 12.175 15.628 ( 21.018 9.216 -3.723) 23.249 16.108 ( 2.654 -2.313 -2.056) 4.077 16.420 ( 25.505 19.582 -16.627) 36.199 17.169 ( 20.705 14.159 -1.945) 25.158 18.212 ( -2.990 -1.702 1.029) 3.591 19.781 ( -27.857 -20.885 7.232) 35.560 19.975 ( -1.940 -0.478 -0.778) 2.145 20.780 ( -2.737 0.386 -2.712) 3.873 21.205 ( -6.961 4.166 4.186) 9.128 21.792 ( 1.578 -4.847 -1.248) 5.248 ======================= Grid point 632 (117/162) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 724 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( -1.889 0.584 -3.458) 3.983 2.093 ( 1.422 3.711 2.614) 4.757 2.589 ( 2.920 2.538 5.114) 6.412 2.812 ( 3.817 -3.698 -1.781) 5.605 3.791 ( 16.738 8.026 6.301) 19.603 5.278 ( -8.698 -7.590 1.234) 11.610 5.948 ( 44.746 26.666 1.324) 52.106 7.307 ( 3.768 -0.783 -1.806) 4.251 7.496 ( 7.812 8.168 -3.761) 11.911 9.037 ( -7.788 -2.068 5.291) 9.640 9.340 ( -14.240 -11.306 -4.064) 18.631 9.820 ( -2.145 -16.357 1.753) 16.590 10.035 ( -28.765 -1.694 -2.310) 28.907 11.992 ( 16.935 -6.299 4.172) 18.544 12.057 ( 0.569 20.382 1.754) 20.465 14.679 ( -2.708 6.542 -0.448) 7.095 14.823 ( 5.137 -6.984 0.710) 8.699 16.054 ( 19.550 4.279 -5.671) 20.801 16.151 ( 7.378 0.428 1.009) 7.459 16.966 ( 15.827 16.322 -13.802) 26.597 17.691 ( 20.186 14.509 4.247) 25.219 18.122 ( -4.839 -2.590 1.468) 5.681 19.139 ( -22.622 -18.545 1.216) 29.277 19.912 ( -4.222 -1.449 -1.455) 4.695 20.739 ( -2.884 1.050 -2.812) 4.162 21.142 ( -5.045 3.993 4.025) 7.589 21.759 ( 0.649 -5.090 -1.886) 5.467 ======================= Grid point 633 (118/162) ======================= q-point: ( 0.42 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( -1.223 1.296 -4.093) 4.464 2.128 ( 0.090 1.272 2.463) 2.774 2.628 ( 1.604 -1.060 1.501) 2.439 2.880 ( 4.038 1.257 2.311) 4.820 4.123 ( 12.646 6.151 3.337) 14.453 5.044 ( -8.326 -7.945 4.895) 12.506 6.903 ( 38.124 20.541 0.637) 43.310 7.355 ( 2.947 -1.091 -2.076) 3.766 7.691 ( 4.161 5.616 -2.941) 7.583 8.886 ( -9.787 1.418 4.899) 11.036 9.065 ( -4.312 -8.421 -2.460) 9.776 9.406 ( -18.501 -22.774 0.705) 29.351 9.739 ( -10.703 5.320 -2.351) 12.181 12.164 ( 13.271 -10.800 5.045) 17.838 12.231 ( -4.317 20.247 2.204) 20.819 14.694 ( -3.725 7.515 -0.281) 8.392 14.806 ( 3.134 -9.002 0.322) 9.537 16.303 ( 12.918 -1.397 0.247) 12.996 16.394 ( 12.173 1.424 -2.648) 12.539 17.293 ( 6.503 11.497 -11.334) 17.405 17.985 ( -0.977 5.068 17.115) 17.876 18.019 ( -3.374 -0.720 4.006) 5.287 18.752 ( -3.713 -9.599 -12.419) 16.130 19.821 ( -4.090 -1.317 -3.205) 5.360 20.706 ( -2.583 1.963 -3.145) 4.519 21.110 ( -3.413 4.030 3.650) 6.420 21.723 ( 1.037 -4.646 -2.077) 5.193 ======================= Grid point 634 (119/162) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 398 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( -0.905 1.567 -4.379) 4.738 2.133 ( -0.239 0.415 2.574) 2.618 2.636 ( 1.070 -1.854 0.884) 2.316 2.927 ( -0.178 0.308 3.123) 3.143 4.281 ( 0.592 -1.026 -0.825) 1.443 4.911 ( 1.390 -2.408 9.391) 9.794 7.364 ( 2.739 -4.744 -1.282) 5.626 7.547 ( 0.414 -0.716 -1.887) 2.060 7.610 ( -1.741 3.016 -1.616) 3.839 8.853 ( -6.796 11.771 4.888) 14.444 8.952 ( 2.858 -4.951 2.235) 6.138 9.064 ( 5.858 -10.147 -4.102) 12.414 9.673 ( -2.970 5.144 -1.997) 6.266 12.226 ( 7.999 -13.855 5.285) 16.849 12.295 ( -9.887 17.125 2.372) 19.916 14.699 ( -5.053 8.753 -0.137) 10.108 14.784 ( 5.469 -9.472 -0.050) 10.938 16.445 ( 1.531 -2.652 4.116) 5.130 16.491 ( 5.704 -9.880 -5.135) 12.511 17.406 ( -3.617 6.264 -10.389) 12.659 17.952 ( -2.643 4.578 21.523) 22.162 17.973 ( -0.681 1.180 2.977) 3.274 18.720 ( 3.003 -5.201 -14.802) 15.974 19.774 ( -0.400 0.693 -4.531) 4.601 20.693 ( -1.638 2.837 -3.345) 4.682 21.101 ( -2.464 4.267 3.485) 6.036 21.709 ( 2.240 -3.880 -2.088) 4.943 ======================= Grid point 642 (120/162) ======================= q-point: ( 0.08 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( 6.894 11.941 8.299) 16.093 1.783 ( 9.446 16.360 -10.728) 21.725 2.026 ( 5.889 10.201 12.999) 17.542 2.752 ( 4.678 8.102 -8.130) 12.394 3.236 ( 1.466 2.540 8.976) 9.443 3.886 ( 8.887 15.392 -0.016) 17.773 5.666 ( -2.618 -4.535 0.383) 5.251 7.169 ( 1.518 2.630 -2.441) 3.896 7.183 ( 1.942 3.364 -4.644) 6.055 9.464 ( -4.446 -7.700 2.600) 9.264 10.010 ( -3.073 -5.322 2.985) 6.832 10.068 ( -4.868 -8.431 -2.394) 10.026 10.837 ( 8.479 14.685 -2.825) 17.191 11.332 ( -4.483 -7.765 1.187) 9.045 11.683 ( 5.477 9.486 0.002) 10.953 14.484 ( -0.148 -0.256 -2.136) 2.156 14.814 ( 3.498 6.058 -1.292) 7.113 14.939 ( 8.676 15.027 -2.796) 17.575 15.427 ( 20.902 36.203 -13.167) 43.829 16.260 ( -4.219 -7.308 -2.752) 8.876 16.718 ( 7.452 12.907 -6.099) 16.103 18.261 ( -0.373 -0.646 1.141) 1.364 19.989 ( 0.336 0.583 -0.896) 1.121 20.549 ( -14.386 -24.918 9.360) 30.257 20.861 ( -2.030 -3.516 -2.632) 4.838 21.415 ( -0.590 -1.023 -1.626) 2.010 21.707 ( 0.159 0.275 3.983) 3.995 ======================= Grid point 643 (121/162) ======================= q-point: ( 0.17 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( -4.351 7.494 -0.686) 8.693 1.942 ( 7.371 -2.770 -2.289) 8.200 2.470 ( 10.522 26.938 11.564) 31.147 2.771 ( -0.529 -4.147 -2.975) 5.131 3.271 ( 7.862 -1.984 5.971) 10.070 4.548 ( 30.783 37.490 1.436) 48.530 5.544 ( -5.093 -6.735 -0.006) 8.444 7.207 ( 1.081 1.036 -2.153) 2.622 7.285 ( 4.663 5.496 -4.818) 8.670 9.293 ( -6.624 -6.704 3.450) 10.036 9.815 ( -11.121 -11.040 -1.142) 15.712 9.889 ( -2.688 -13.225 1.054) 13.536 10.893 ( -18.694 9.087 -2.026) 20.884 11.341 ( 17.992 -9.640 0.962) 20.435 11.925 ( 6.867 17.056 0.328) 18.390 14.504 ( 4.612 -4.872 -1.034) 6.788 14.893 ( -3.414 14.275 0.372) 14.682 15.333 ( 20.350 8.657 -2.072) 22.212 16.095 ( -1.646 1.140 -2.723) 3.380 16.235 ( 24.086 27.999 -15.728) 40.143 17.041 ( 13.301 17.574 -4.832) 22.563 18.232 ( -1.662 -2.009 1.003) 2.794 19.963 ( -21.585 -28.033 9.738) 36.696 19.989 ( -0.654 -0.713 -0.994) 1.387 20.821 ( -1.547 -0.200 -3.071) 3.445 21.351 ( -5.776 0.860 -1.721) 6.088 21.709 ( 1.886 -3.915 3.614) 5.652 ======================= Grid point 644 (122/162) ======================= q-point: ( 0.25 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( -4.755 4.523 -3.185) 7.295 2.038 ( 6.205 -1.997 0.271) 6.524 2.638 ( -3.203 1.255 4.392) 5.579 2.841 ( -0.679 18.463 1.963) 18.579 3.557 ( 20.250 6.778 7.532) 22.643 5.338 ( -4.305 -3.467 1.762) 5.802 5.523 ( 34.637 28.007 0.877) 44.552 7.227 ( 2.431 -2.587 -1.513) 3.859 7.453 ( 6.920 8.369 -4.594) 11.792 9.133 ( -6.063 -2.733 3.921) 7.721 9.468 ( -14.504 -13.878 -1.815) 20.156 9.674 ( -3.793 -19.525 1.286) 19.931 10.563 ( -27.078 8.110 -1.862) 28.328 11.582 ( 20.068 -11.014 1.623) 22.949 12.213 ( 4.966 19.258 0.813) 19.904 14.524 ( 5.417 -9.023 -1.141) 10.586 14.980 ( -4.433 15.704 2.450) 16.501 15.750 ( 19.266 4.916 -1.931) 19.977 16.040 ( 3.482 -3.575 0.800) 5.054 16.912 ( 16.867 27.128 -16.833) 36.107 17.521 ( 19.437 21.237 -0.793) 28.800 18.161 ( -3.415 -3.556 1.117) 5.055 19.313 ( -22.348 -25.622 6.426) 34.601 19.945 ( -2.549 -2.982 -1.489) 4.196 20.795 ( -2.055 1.187 -3.540) 4.261 21.261 ( -5.477 1.205 -0.799) 5.665 21.692 ( 1.200 -4.700 2.329) 5.381 ======================= Grid point 645 (123/162) ======================= q-point: ( 0.33 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( -3.595 4.608 -4.494) 7.373 2.101 ( 3.322 -1.878 0.863) 3.912 2.603 ( -0.047 -1.478 2.723) 3.099 2.993 ( -4.033 20.927 3.201) 21.551 3.970 ( 15.977 10.524 6.050) 20.065 5.120 ( -9.438 -7.969 3.645) 12.879 6.443 ( 38.374 22.065 2.178) 44.319 7.246 ( 4.591 -5.489 -0.900) 7.212 7.662 ( 6.814 7.935 -4.002) 11.199 9.036 ( -6.679 -0.993 5.023) 8.416 9.084 ( -10.404 -13.484 -3.144) 17.319 9.384 ( -7.734 -17.768 1.374) 19.426 10.184 ( -26.404 9.828 -2.812) 28.313 11.784 ( 17.393 -13.377 2.612) 22.097 12.448 ( 0.755 17.726 1.253) 17.786 14.511 ( 5.427 -12.027 -1.348) 13.264 15.031 ( -7.974 16.027 2.625) 18.093 16.026 ( 13.717 -2.997 0.773) 14.062 16.200 ( 13.058 1.580 2.434) 13.376 17.346 ( 7.484 20.717 -14.406) 26.320 17.999 ( 10.430 15.177 10.453) 21.175 18.055 ( -3.861 -4.125 1.638) 5.883 18.771 ( -13.086 -17.104 -5.228) 22.162 19.850 ( -3.375 -5.181 -2.790) 6.784 20.775 ( -2.487 2.620 -4.306) 5.620 21.196 ( -3.484 1.277 -0.374) 3.730 21.664 ( 0.756 -4.117 1.612) 4.486 ======================= Grid point 646 (124/162) ======================= q-point: ( 0.42 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( -2.923 4.686 -5.340) 7.682 2.120 ( 1.263 -1.569 1.800) 2.702 2.600 ( 1.023 -1.509 2.354) 2.978 3.102 ( -7.583 19.804 2.645) 21.371 4.260 ( 6.053 7.726 1.915) 10.000 4.910 ( -5.571 -5.252 9.007) 11.821 7.133 ( 19.615 -1.915 1.136) 19.741 7.336 ( 15.759 2.931 0.006) 16.029 7.741 ( -5.185 -1.338 -1.935) 5.694 8.793 ( 0.083 -12.137 1.804) 12.270 8.951 ( -3.266 -11.689 -3.876) 12.740 9.169 ( -10.857 12.109 4.061) 16.763 9.912 ( -15.292 10.245 -3.464) 18.730 11.899 ( 12.936 -16.290 3.097) 21.031 12.577 ( -4.661 14.821 1.475) 15.606 14.485 ( 6.481 -13.010 -1.373) 14.600 15.037 ( -9.643 16.591 1.980) 19.292 16.219 ( 12.883 -6.736 2.836) 14.811 16.362 ( 5.568 -3.551 4.938) 8.246 17.579 ( -1.595 15.526 -12.598) 20.057 17.979 ( -0.352 -1.119 3.413) 3.609 18.056 ( -6.875 -0.798 18.107) 19.385 18.640 ( 2.807 -0.395 -14.906) 15.173 19.757 ( -0.414 -5.279 -4.683) 7.069 20.764 ( -2.530 3.761 -4.985) 6.738 21.166 ( -1.684 1.462 -0.269) 2.246 21.643 ( 1.163 -3.193 1.406) 3.678 ======================= Grid point 655 (125/162) ======================= q-point: ( 0.17 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 398 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( 0.430 0.745 -2.317) 2.471 1.916 ( 1.123 1.945 -0.826) 2.393 2.663 ( -2.732 -4.731 0.786) 5.519 3.080 ( 16.936 29.333 7.296) 34.648 3.301 ( 4.087 7.079 6.870) 10.678 5.332 ( 23.466 40.645 1.976) 46.974 5.386 ( -5.250 -9.093 0.663) 10.520 7.192 ( -1.223 -2.118 -1.683) 2.969 7.433 ( 5.299 9.178 -4.584) 11.547 9.175 ( -2.756 -4.774 3.122) 6.335 9.540 ( -11.045 -19.130 2.946) 22.285 9.592 ( -7.876 -13.642 -2.754) 15.992 11.069 ( -2.954 -5.116 2.781) 6.530 11.123 ( 0.564 0.976 -3.763) 3.928 12.266 ( 9.598 16.624 0.447) 19.201 14.428 ( -1.935 -3.352 -0.674) 3.928 15.127 ( 5.395 9.344 2.411) 11.055 15.580 ( 9.150 15.849 -0.231) 18.302 15.987 ( -2.795 -4.841 -0.002) 5.589 16.903 ( 18.024 31.219 -17.225) 39.953 17.460 ( 14.407 24.953 -2.389) 28.913 18.172 ( -2.394 -4.147 1.020) 4.896 19.379 ( -17.513 -30.333 7.854) 35.896 19.950 ( -2.032 -3.519 -1.468) 4.321 20.820 ( 0.096 0.167 -3.571) 3.576 21.322 ( -1.889 -3.272 -4.809) 6.115 21.651 ( -1.148 -1.988 5.901) 6.331 ======================= Grid point 656 (126/162) ======================= q-point: ( 0.25 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( -4.399 4.472 -4.576) 7.765 1.992 ( 5.856 -1.865 0.328) 6.154 2.595 ( -1.090 -2.221 2.783) 3.724 3.355 ( -7.096 27.414 5.243) 28.798 3.748 ( 24.246 13.419 5.761) 28.304 5.190 ( -7.478 -8.370 2.473) 11.493 6.108 ( 27.326 27.638 3.702) 39.042 7.139 ( 0.232 -6.024 -0.611) 6.060 7.628 ( 6.403 8.902 -3.849) 11.622 9.099 ( -4.945 -5.188 0.831) 7.215 9.115 ( -12.035 -20.194 1.046) 23.532 9.371 ( -4.130 -6.507 0.393) 7.717 10.746 ( -27.272 9.196 -0.865) 28.794 11.314 ( 20.328 -16.002 -0.440) 25.875 12.556 ( 5.624 15.243 0.650) 16.261 14.361 ( 0.310 -7.606 -0.920) 7.668 15.275 ( -1.266 13.631 3.686) 14.177 15.861 ( 6.088 6.444 2.218) 9.138 15.990 ( 10.395 -0.981 2.722) 10.790 17.408 ( 10.807 22.376 -15.077) 29.066 17.965 ( 14.102 21.913 5.227) 26.578 18.071 ( -3.636 -5.583 1.327) 6.793 18.824 ( -14.900 -22.204 -1.114) 26.763 19.847 ( -3.791 -7.119 -2.321) 8.393 20.828 ( -0.567 2.126 -4.444) 4.959 21.248 ( -2.993 -2.380 -4.778) 6.120 21.624 ( 0.111 -2.153 5.461) 5.871 ======================= Grid point 657 (127/162) ======================= q-point: ( 0.33 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 724 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( -3.742 4.911 -5.112) 8.016 2.054 ( 3.852 -2.605 0.561) 4.684 2.576 ( 0.326 -0.966 3.287) 3.442 3.502 ( -8.596 28.419 3.333) 29.877 4.204 ( 13.081 12.699 4.111) 18.689 4.980 ( -8.144 -5.993 5.770) 11.642 6.758 ( 24.519 8.286 3.697) 26.144 7.123 ( 7.360 -4.752 1.558) 8.898 7.767 ( 0.963 1.217 -1.395) 2.086 8.708 ( -7.330 -18.181 2.248) 19.732 8.929 ( -6.551 -10.820 -5.127) 13.648 9.405 ( 0.169 16.289 2.447) 16.473 10.365 ( -25.982 8.016 -2.330) 27.290 11.466 ( 17.331 -18.896 0.342) 25.642 12.746 ( 0.509 12.497 0.793) 12.533 14.296 ( 2.365 -9.497 -1.145) 9.853 15.348 ( -6.830 15.569 2.757) 17.224 15.988 ( 8.251 -0.500 6.549) 10.546 16.197 ( 10.242 -1.706 5.742) 11.865 17.718 ( 3.259 15.043 -9.924) 18.314 17.963 ( -1.471 -4.806 2.192) 5.483 18.159 ( -5.991 -1.805 14.972) 16.227 18.619 ( 3.145 5.865 -16.367) 17.669 19.700 ( -2.453 -10.021 -3.877) 11.021 20.841 ( -1.582 3.999 -5.492) 6.976 21.187 ( -1.331 -2.194 -4.224) 4.942 21.609 ( 0.242 -1.436 4.832) 5.047 ======================= Grid point 658 (128/162) ======================= q-point: ( 0.42 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( -2.957 5.122 -5.277) 7.926 2.074 ( 1.857 -3.217 0.847) 3.810 2.576 ( 0.507 -0.879 3.253) 3.407 3.578 ( -15.176 26.285 2.104) 30.425 4.397 ( -2.790 4.832 2.188) 5.993 4.856 ( -0.123 0.213 9.003) 9.006 6.951 ( 7.107 -12.309 0.832) 14.238 7.328 ( 4.019 -6.961 4.091) 9.019 7.678 ( 1.683 -2.916 2.822) 4.393 8.580 ( 4.170 -7.223 0.438) 8.352 8.784 ( 2.912 -5.044 -5.916) 8.302 9.540 ( -11.852 20.528 2.117) 23.798 10.134 ( -7.567 13.106 -3.238) 15.476 11.522 ( 12.656 -21.921 0.558) 25.318 12.813 ( -5.293 9.167 0.837) 10.619 14.268 ( 5.100 -8.834 -1.199) 10.270 15.363 ( -9.168 15.879 2.072) 18.453 16.079 ( 3.686 -6.385 8.119) 10.967 16.268 ( 3.435 -5.950 8.228) 10.719 17.797 ( -2.561 4.437 -3.498) 6.203 17.962 ( 2.821 -4.887 15.150) 16.167 18.039 ( -3.697 6.404 -10.863) 13.140 18.723 ( -4.163 7.211 -9.940) 12.967 19.618 ( 4.875 -8.444 -5.201) 11.051 20.848 ( -2.651 4.591 -6.024) 8.025 21.164 ( 0.923 -1.599 -3.967) 4.375 21.604 ( 0.509 -0.881 4.639) 4.749 ======================= Grid point 665 (129/162) ======================= q-point: (-0.08 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( -9.695 16.791 7.352) 20.736 1.924 ( 2.005 -3.473 5.209) 6.574 2.274 ( -11.971 20.735 -0.603) 23.950 2.636 ( -8.448 14.632 -13.143) 21.405 3.367 ( -6.309 10.927 10.360) 16.326 3.779 ( -3.666 6.350 1.469) 7.478 5.676 ( 2.180 -3.776 -0.150) 4.363 7.107 ( -1.249 2.164 -1.394) 2.862 7.221 ( -1.733 3.001 -4.470) 5.656 9.470 ( 4.398 -7.618 2.281) 9.087 10.057 ( 4.399 -7.620 -1.777) 8.976 10.082 ( 2.187 -3.787 -0.146) 4.376 10.766 ( -6.911 11.971 0.196) 13.824 11.360 ( 4.137 -7.165 -0.037) 8.274 11.649 ( -4.696 8.133 1.395) 9.495 14.494 ( 0.811 -1.406 -1.584) 2.268 14.885 ( -8.669 15.015 -1.399) 17.394 14.931 ( -5.583 9.670 -6.785) 13.066 15.361 ( -19.603 33.953 -9.871) 40.429 16.341 ( 2.859 -4.953 -7.271) 9.251 16.651 ( -6.815 11.805 -2.294) 13.823 18.261 ( 0.360 -0.624 1.099) 1.314 19.985 ( -0.140 0.243 -0.681) 0.737 20.653 ( 12.322 -21.342 6.690) 25.535 20.839 ( 3.617 -6.265 -3.382) 7.985 21.216 ( 3.092 -5.355 7.381) 9.629 21.825 ( -2.271 3.934 -1.662) 4.837 ======================= Grid point 669 (130/162) ======================= q-point: ( 0.25 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( 0.738 1.279 -5.813) 5.998 1.980 ( 0.387 0.670 1.023) 1.282 2.569 ( -0.324 -0.562 3.571) 3.629 3.791 ( 9.487 16.431 6.927) 20.198 4.101 ( 11.813 20.461 1.043) 23.649 5.028 ( -4.572 -7.918 4.316) 10.111 6.571 ( 10.601 18.361 5.237) 21.839 7.030 ( -1.687 -2.922 2.122) 3.986 7.761 ( 1.452 2.515 -1.090) 3.101 8.681 ( -10.629 -18.409 2.241) 21.375 8.936 ( -6.523 -11.299 -5.437) 14.134 9.483 ( 8.430 14.602 1.845) 16.962 10.828 ( -5.076 -8.792 1.419) 10.251 11.029 ( -2.990 -5.179 -4.033) 7.213 12.804 ( 5.653 9.792 0.525) 11.319 14.228 ( -3.288 -5.696 -1.018) 6.655 15.500 ( 5.171 8.957 3.753) 11.002 15.951 ( 1.385 2.399 6.385) 6.961 16.047 ( 3.609 6.250 6.646) 9.811 17.764 ( 7.215 12.497 -8.201) 16.598 17.949 ( -3.687 -6.387 1.949) 7.628 18.204 ( -1.250 -2.165 13.479) 13.709 18.627 ( 4.505 7.802 -17.657) 19.822 19.668 ( -6.197 -10.734 -3.197) 12.800 20.878 ( 1.632 2.826 -5.401) 6.311 21.183 ( -2.128 -3.685 -5.982) 7.341 21.601 ( -0.242 -0.420 6.180) 6.199 ======================= Grid point 670 (131/162) ======================= q-point: ( 0.33 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( -2.493 4.035 -4.418) 6.482 1.999 ( 2.575 -3.007 -0.397) 3.978 2.566 ( 0.142 -0.184 3.713) 3.720 4.029 ( -5.192 23.354 4.471) 24.338 4.413 ( 6.626 6.168 2.605) 9.420 4.899 ( -3.831 -1.676 4.307) 6.003 6.741 ( 4.347 -6.193 1.407) 7.696 7.155 ( 11.690 7.007 7.949) 15.778 7.645 ( -6.732 -13.313 5.536) 15.913 8.503 ( 0.726 -1.675 -2.144) 2.816 8.730 ( -4.089 -9.192 -5.563) 11.496 9.834 ( 5.929 25.245 0.395) 25.935 10.472 ( -22.525 1.675 -1.460) 22.634 11.061 ( 14.529 -20.869 -2.368) 25.539 12.934 ( 0.148 6.533 0.450) 6.550 14.148 ( 0.557 -5.354 -1.074) 5.489 15.617 ( -3.028 11.101 1.661) 11.626 16.004 ( 1.808 1.831 11.261) 11.551 16.138 ( 4.795 -4.051 10.357) 12.111 17.826 ( -2.081 -2.024 3.541) 4.579 17.867 ( 1.023 -5.583 8.258) 10.020 18.180 ( -1.527 6.585 -15.395) 16.814 18.863 ( 2.587 15.120 -8.198) 17.393 19.462 ( -1.402 -13.940 -4.468) 14.706 20.929 ( -0.619 4.872 -6.200) 7.909 21.120 ( -0.082 -4.274 -5.918) 7.301 21.598 ( -0.014 0.010 6.025) 6.025 ======================= Grid point 676 (132/162) ======================= q-point: (-0.17 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( -3.757 10.574 1.346) 11.302 1.853 ( -3.637 -5.832 3.660) 7.787 2.491 ( -1.412 9.272 5.546) 10.896 2.936 ( -4.514 15.349 -8.202) 17.979 3.397 ( -2.266 -1.175 1.879) 3.170 4.426 ( -35.830 36.226 7.082) 51.442 5.574 ( 4.822 -4.735 -1.507) 6.924 7.195 ( -4.825 4.777 -0.896) 6.849 7.269 ( -1.613 1.026 -4.659) 5.036 9.292 ( 7.151 -7.478 3.236) 10.841 9.838 ( 10.791 -9.539 -3.028) 14.717 9.967 ( 2.820 -10.512 -1.155) 10.945 10.816 ( 16.699 7.250 1.013) 18.233 11.346 ( -16.538 -11.292 1.017) 20.051 11.859 ( -6.257 14.438 3.051) 16.029 14.485 ( -3.077 -5.268 0.013) 6.101 15.005 ( 5.809 20.509 -3.540) 21.607 15.355 ( -23.834 7.235 -3.262) 25.120 16.083 ( -20.721 30.105 -10.727) 38.088 16.248 ( -0.303 -1.046 -9.779) 9.839 16.977 ( -15.200 16.232 -1.051) 22.262 18.232 ( 1.727 -2.075 0.983) 2.873 19.976 ( 0.783 -1.566 -0.369) 1.789 20.087 ( 23.768 -23.583 5.531) 33.936 20.778 ( 1.343 -2.177 -1.985) 3.238 21.124 ( 0.680 -7.181 8.068) 10.822 21.863 ( 1.050 2.217 -3.286) 4.101 ======================= Grid point 682 (133/162) ======================= q-point: ( 0.33 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.936 ( -1.722 -2.983 -2.437) 4.219 1.936 ( 1.722 2.983 -2.437) 4.219 2.565 ( -0.000 -0.000 3.821) 3.821 4.370 ( -5.252 -9.096 5.216) 11.727 4.370 ( 5.252 9.096 5.216) 11.727 4.899 ( -0.000 -0.000 -0.409) 0.409 6.663 ( -0.000 -0.000 1.120) 1.120 7.356 ( -6.693 -11.592 9.394) 16.353 7.356 ( 6.693 11.592 9.394) 16.353 8.571 ( -3.328 -5.765 -4.802) 8.208 8.571 ( 3.328 5.765 -4.802) 8.208 10.313 ( -9.954 -17.240 -0.054) 19.907 10.313 ( 9.954 17.240 -0.054) 19.907 10.807 ( -0.000 -0.000 -4.912) 4.912 12.999 ( -0.000 -0.000 0.319) 0.319 14.094 ( -0.000 -0.000 -1.038) 1.038 15.740 ( -0.000 -0.000 -0.536) 0.536 16.056 ( -1.811 -3.137 13.656) 14.129 16.056 ( 1.811 3.137 13.656) 14.129 17.797 ( -0.288 -0.499 5.964) 5.991 17.797 ( 0.288 0.499 5.964) 5.991 18.264 ( -0.000 -0.000 -19.521) 19.521 19.168 ( -7.761 -13.442 -5.161) 16.357 19.168 ( 7.761 13.442 -5.161) 16.357 21.027 ( -2.495 -4.321 -6.354) 8.079 21.027 ( 2.495 4.321 -6.354) 8.079 21.600 ( -0.000 -0.000 6.181) 6.181 ======================= Grid point 689 (134/162) ======================= q-point: (-0.25 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( 3.951 1.134 -1.476) 4.367 1.975 ( -7.936 0.133 2.854) 8.434 2.585 ( -1.571 5.312 3.984) 6.823 3.020 ( 8.858 15.792 -3.019) 18.357 3.622 ( -16.649 8.387 4.255) 19.122 5.383 ( -5.476 7.661 2.648) 9.783 5.486 ( -28.406 20.498 -0.286) 35.031 7.290 ( -1.957 -0.570 -3.739) 4.259 7.370 ( -8.139 5.914 -1.408) 10.159 9.098 ( 7.379 -6.524 4.498) 10.828 9.528 ( 14.104 -8.898 -4.092) 17.171 9.782 ( 2.536 -17.817 -2.657) 18.192 10.464 ( 28.901 6.398 2.145) 29.679 11.575 ( -21.969 -14.002 2.111) 26.137 12.115 ( -5.026 16.507 4.958) 17.953 14.483 ( -4.537 -8.532 0.664) 9.686 15.092 ( 7.174 18.319 -2.054) 19.781 15.834 ( -22.471 8.568 -3.550) 24.309 16.183 ( -0.142 3.272 -7.395) 8.088 16.745 ( -18.813 20.142 -10.651) 29.547 17.465 ( -19.760 18.216 2.028) 26.952 18.158 ( 3.532 -3.878 1.269) 5.397 19.449 ( 24.703 -19.005 1.716) 31.215 19.921 ( 2.343 -4.321 -0.381) 4.930 20.733 ( 1.551 -2.064 -1.340) 2.909 21.056 ( -0.892 -6.850 7.561) 10.241 21.846 ( 2.871 1.773 -4.159) 5.356 ======================= Grid point 690 (135/162) ======================= q-point: (-0.17 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 398 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( 2.058 -3.565 1.239) 4.299 1.886 ( -4.553 7.887 0.530) 9.122 2.602 ( -2.123 3.677 2.988) 5.192 3.334 ( -11.730 20.318 -3.524) 23.724 3.379 ( -2.087 3.616 3.331) 5.341 5.243 ( -25.610 44.358 6.269) 51.603 5.462 ( 3.792 -6.567 -2.900) 8.119 7.263 ( 0.818 -1.417 -4.800) 5.072 7.333 ( -5.135 8.894 -0.092) 10.270 9.132 ( 4.967 -8.602 4.048) 10.726 9.639 ( 6.116 -10.593 -3.816) 12.813 9.678 ( 9.937 -17.212 -3.095) 20.114 10.974 ( 0.339 -0.587 2.742) 2.825 11.088 ( 3.615 -6.262 1.867) 7.468 12.153 ( -8.424 14.591 5.185) 17.629 14.399 ( 2.144 -3.714 0.524) 4.320 15.324 ( -5.125 8.876 -4.634) 11.248 15.597 ( -11.224 19.441 -0.908) 22.466 16.196 ( 0.185 -0.320 -10.897) 10.903 16.691 ( -15.718 27.225 -8.565) 32.582 17.386 ( -13.801 23.905 1.384) 27.637 18.169 ( 2.589 -4.484 1.188) 5.312 19.572 ( 15.673 -27.147 1.102) 31.366 19.918 ( 2.595 -4.495 0.035) 5.191 20.740 ( 1.080 -1.871 -0.757) 2.289 21.007 ( 2.717 -4.706 9.222) 10.704 21.881 ( 0.094 -0.164 -4.942) 4.946 ======================= Grid point 702 (136/162) ======================= q-point: (-0.33 0.42 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( 2.093 1.844 -2.157) 3.526 2.069 ( -4.015 -1.088 2.258) 4.733 2.645 ( -0.670 2.951 0.795) 3.129 3.044 ( 7.827 18.564 1.152) 20.180 4.002 ( -14.570 11.466 4.033) 18.974 5.202 ( 10.865 -3.885 0.296) 11.543 6.457 ( -40.376 24.936 1.596) 47.482 7.314 ( -3.478 -3.488 -4.021) 6.359 7.581 ( -8.470 5.969 -0.582) 10.378 8.904 ( 7.682 -7.949 4.792) 12.049 9.221 ( 11.470 -7.607 -3.777) 14.272 9.532 ( 5.746 -17.448 -4.192) 18.842 10.037 ( 28.125 9.568 3.358) 29.898 11.781 ( -19.615 -16.855 2.767) 26.009 12.331 ( -1.549 15.109 6.250) 16.424 14.469 ( -5.214 -11.036 0.588) 12.220 15.113 ( 9.934 16.435 -1.233) 19.243 16.249 ( -14.898 6.159 -0.685) 16.135 16.304 ( -8.705 7.868 -10.063) 15.458 17.165 ( -10.929 14.571 -7.509) 19.701 17.871 ( -9.233 6.352 13.384) 17.456 18.044 ( 4.107 -5.078 2.305) 6.926 18.955 ( 15.151 -6.837 -8.967) 18.886 19.820 ( 2.658 -6.465 -1.464) 7.142 20.688 ( 1.227 -1.948 -0.969) 2.497 21.019 ( -2.152 -5.982 6.638) 9.191 21.811 ( 3.250 2.231 -4.482) 5.969 ======================= Grid point 703 (137/162) ======================= q-point: (-0.25 0.42 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( 1.622 1.429 0.131) 2.166 2.000 ( -3.426 1.262 0.288) 3.663 2.660 ( -1.088 2.765 -0.117) 2.974 3.414 ( 8.235 22.402 2.766) 24.027 3.821 ( -20.365 12.267 1.842) 23.845 5.313 ( 6.867 -5.482 -2.948) 9.268 6.111 ( -30.693 32.543 4.028) 44.915 7.224 ( -0.500 -5.165 -4.820) 7.083 7.527 ( -6.684 8.878 0.630) 11.131 8.953 ( 6.675 -8.369 4.086) 11.458 9.286 ( 12.451 -19.820 -4.264) 23.792 9.493 ( 2.402 -4.795 -3.715) 6.524 10.639 ( 30.293 9.688 3.347) 31.980 11.239 ( -22.495 -19.818 3.108) 30.140 12.412 ( -5.356 13.382 6.766) 15.923 14.331 ( -0.257 -6.936 0.341) 6.949 15.412 ( 5.602 12.991 -1.857) 14.269 16.021 ( -17.953 11.352 -2.640) 21.404 16.251 ( -4.530 4.372 -11.357) 12.985 17.154 ( -11.563 20.136 -4.292) 23.613 17.812 ( -9.896 14.522 8.998) 19.743 18.057 ( 4.053 -6.404 2.043) 7.849 19.096 ( 13.083 -14.738 -8.113) 21.312 19.801 ( 3.721 -7.881 -0.263) 8.720 20.702 ( 1.622 -1.114 0.436) 2.015 20.938 ( -0.194 -5.054 8.587) 9.966 21.867 ( 1.459 0.506 -5.685) 5.891 ======================= Grid point 715 (138/162) ======================= q-point: (-0.42 0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( 1.635 2.519 -2.583) 3.961 2.103 ( -1.944 -1.871 2.472) 3.660 2.669 ( 0.564 2.036 -0.715) 2.230 3.095 ( 8.490 18.452 2.985) 20.530 4.293 ( -5.689 9.229 0.264) 10.845 4.999 ( 7.822 -1.354 4.775) 9.264 7.247 ( -25.037 6.322 -2.720) 25.965 7.355 ( -8.690 1.180 -2.016) 8.999 7.687 ( 3.039 -1.375 0.021) 3.335 8.715 ( 2.410 -7.293 3.624) 8.493 8.969 ( 4.914 -13.905 -1.752) 14.852 9.328 ( 10.130 7.765 -3.329) 13.190 9.762 ( 13.111 7.733 2.609) 15.444 11.898 ( -15.129 -19.987 3.079) 25.255 12.452 ( 3.416 12.319 6.816) 14.487 14.451 ( -6.196 -11.988 0.296) 13.498 15.099 ( 10.281 16.593 -1.080) 19.550 16.446 ( -4.748 4.000 0.973) 6.284 16.546 ( -6.925 3.377 -11.605) 13.930 17.399 ( -1.054 11.231 -5.873) 12.717 17.880 ( 1.529 -6.587 20.874) 21.942 17.949 ( 1.141 -4.388 4.733) 6.554 18.830 ( 3.094 5.656 -15.473) 16.762 19.732 ( -0.378 -6.131 -3.527) 7.083 20.658 ( 0.126 -1.476 -0.854) 1.710 21.007 ( -2.822 -5.436 6.052) 8.610 21.786 ( 2.583 3.092 -4.525) 6.059 ======================= Grid point 716 (139/162) ======================= q-point: (-0.33 0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 724 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( 1.746 3.966 -0.728) 4.394 2.041 ( -2.436 -2.267 1.310) 3.576 2.694 ( -0.122 2.065 -1.947) 2.841 3.506 ( 10.498 26.920 3.090) 29.059 4.240 ( -13.654 12.165 1.926) 18.389 5.124 ( 9.054 -4.160 -0.803) 9.996 6.877 ( -28.078 16.126 0.109) 32.380 7.202 ( -4.994 -5.945 -3.633) 8.572 7.692 ( -3.076 4.083 1.484) 5.323 8.740 ( 7.696 -8.169 1.931) 11.388 8.900 ( 7.796 -20.219 -3.907) 22.019 9.500 ( 0.136 10.583 -1.995) 10.770 10.218 ( 28.069 8.280 3.820) 29.513 11.392 ( -19.444 -22.522 3.582) 29.970 12.586 ( -0.934 10.789 7.605) 13.233 14.276 ( -2.322 -8.450 -0.192) 8.765 15.420 ( 8.421 13.985 -0.831) 16.346 16.366 ( -10.588 5.919 -2.133) 12.316 16.419 ( -9.073 4.552 -12.003) 15.720 17.485 ( -6.420 15.851 -1.406) 17.160 17.892 ( 5.268 -4.085 13.737) 15.269 17.932 ( 2.896 -5.486 7.329) 9.602 18.921 ( 2.009 3.505 -16.388) 16.878 19.659 ( 1.730 -9.760 -2.157) 10.144 20.667 ( 1.558 -0.162 1.502) 2.170 20.909 ( -2.082 -5.268 7.569) 9.454 21.848 ( 1.758 1.562 -5.910) 6.360 ======================= Grid point 717 (140/162) ======================= q-point: (-0.25 0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( -1.603 2.776 0.475) 3.241 2.002 ( 0.570 -0.987 0.176) 1.153 2.703 ( -0.994 1.721 -2.415) 3.128 3.816 ( -9.522 16.492 4.930) 19.671 4.115 ( -10.066 17.434 0.543) 20.139 5.188 ( 4.275 -7.404 -3.090) 9.091 6.701 ( -15.045 26.059 1.410) 30.123 7.122 ( 2.103 -3.643 -3.811) 5.677 7.683 ( -3.355 5.811 1.843) 6.958 8.773 ( 5.487 -9.504 1.992) 11.153 8.861 ( 11.742 -20.337 -4.988) 24.007 9.553 ( -5.493 9.514 -1.441) 11.080 10.793 ( 5.699 -9.871 2.770) 11.730 10.825 ( 3.713 -6.431 4.801) 8.842 12.632 ( -5.073 8.786 7.852) 12.829 14.213 ( 2.843 -4.925 -0.380) 5.699 15.584 ( -2.879 4.987 -0.519) 5.782 16.276 ( -7.696 13.330 -4.113) 15.932 16.366 ( -4.076 7.060 -10.993) 13.685 17.502 ( -8.263 14.312 2.225) 16.675 17.912 ( 4.558 -7.895 3.847) 9.895 17.947 ( 0.463 -0.801 12.855) 12.888 18.957 ( -0.673 1.165 -16.844) 16.898 19.622 ( 5.656 -9.796 -1.427) 11.401 20.687 ( 0.253 -0.438 2.335) 2.389 20.857 ( 1.866 -3.233 8.237) 9.043 21.872 ( -0.051 0.089 -6.359) 6.360 ======================= Grid point 727 (141/162) ======================= q-point: (-0.42 0.58 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( 2.600 4.503 -1.092) 5.313 2.049 ( -2.087 -3.615 1.888) 4.582 2.705 ( 0.891 1.543 -2.458) 3.036 3.554 ( 15.147 26.236 3.182) 30.461 4.448 ( 2.876 4.982 -0.191) 5.756 4.994 ( 0.618 1.070 2.020) 2.368 7.125 ( -5.980 -10.358 -6.802) 13.759 7.394 ( -2.544 -4.406 1.388) 5.274 7.672 ( 0.562 0.974 2.094) 2.376 8.619 ( -1.436 -2.487 1.468) 3.225 8.708 ( -5.789 -10.027 -3.939) 12.230 9.611 ( 9.614 16.652 -1.248) 19.269 9.957 ( 7.518 13.022 4.206) 15.613 11.448 ( -14.749 -25.546 3.723) 29.732 12.648 ( 4.408 7.636 7.851) 11.806 14.252 ( -4.604 -7.974 -0.466) 9.219 15.415 ( 8.523 14.762 -0.643) 17.058 16.486 ( 0.178 0.309 -1.808) 1.843 16.542 ( -1.318 -2.282 -12.322) 12.601 17.663 ( 7.051 12.212 -5.410) 15.104 17.759 ( -2.539 -4.397 20.668) 21.282 17.862 ( -2.104 -3.645 5.855) 7.210 18.950 ( 3.502 6.066 -14.809) 16.382 19.588 ( -4.609 -7.983 -3.971) 10.037 20.652 ( 0.460 0.797 1.925) 2.134 20.901 ( -2.986 -5.171 7.157) 9.321 21.841 ( 1.326 2.296 -5.940) 6.505 ======================= Grid point 729 (142/162) ======================= q-point: (-0.33 0.58 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( 0.944 5.160 0.152) 5.248 1.975 ( -1.103 -4.341 0.930) 4.574 2.727 ( -0.013 1.240 -3.394) 3.613 4.033 ( 7.905 24.822 3.587) 26.296 4.437 ( -10.336 6.218 1.368) 12.140 5.032 ( 5.058 -5.033 -2.020) 7.416 6.949 ( -3.388 -5.452 -7.681) 10.010 7.269 ( -12.207 11.382 3.133) 16.982 7.691 ( 3.490 -5.273 2.698) 6.874 8.577 ( 2.147 -8.498 -4.115) 9.683 8.610 ( 3.504 -7.035 -0.579) 7.881 9.831 ( -6.924 21.697 0.455) 22.780 10.345 ( 27.198 4.153 3.812) 27.776 10.911 ( -17.836 -25.615 4.209) 31.496 12.750 ( -0.270 5.698 8.327) 10.094 14.145 ( -0.562 -4.658 -0.946) 4.787 15.638 ( 3.193 7.752 0.105) 8.385 16.476 ( -3.595 4.827 -5.075) 7.873 16.497 ( -3.751 3.267 -9.897) 11.076 17.673 ( -2.897 1.164 14.564) 14.895 17.772 ( 2.337 -6.547 6.769) 9.702 17.909 ( 3.252 5.072 -1.795) 6.287 19.050 ( -0.882 8.489 -13.669) 16.115 19.449 ( 0.812 -11.184 -4.329) 12.020 20.683 ( 1.088 1.767 4.042) 4.544 20.813 ( -1.207 -4.482 7.337) 8.682 21.872 ( 0.484 0.872 -6.576) 6.651 ======================= Grid point 742 (143/162) ======================= q-point: (-0.33 -0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( -2.668 -4.621 0.622) 5.372 1.877 ( 2.668 4.621 0.622) 5.372 2.739 ( 0.000 0.000 -3.857) 3.857 4.404 ( -5.489 -9.508 2.974) 11.375 4.404 ( 5.489 9.508 2.974) 11.375 4.968 ( -0.000 -0.000 -3.342) 3.342 6.880 ( 0.000 0.000 -8.320) 8.320 7.505 ( -5.948 -10.302 2.952) 12.257 7.505 ( 5.948 10.302 2.952) 12.257 8.521 ( -0.960 -1.663 -2.598) 3.231 8.521 ( 0.960 1.663 -2.598) 3.231 10.278 ( -9.211 -15.953 1.358) 18.471 10.278 ( 9.211 15.953 1.358) 18.471 10.538 ( -0.000 -0.000 6.802) 6.802 12.806 ( 0.000 0.000 8.549) 8.549 14.098 ( 0.000 0.000 -1.248) 1.248 15.715 ( 0.000 0.000 0.581) 0.581 16.531 ( -0.166 -0.287 -7.504) 7.511 16.531 ( 0.166 0.287 -7.504) 7.511 17.678 ( -1.091 -1.890 12.396) 12.587 17.678 ( 1.091 1.890 12.396) 12.587 17.988 ( 0.000 0.000 -6.623) 6.623 19.235 ( -5.116 -8.861 -8.435) 13.260 19.235 ( 5.116 8.861 -8.435) 13.260 20.734 ( -1.695 -2.936 6.114) 6.991 20.734 ( 1.695 2.936 6.114) 6.991 21.881 ( 0.000 0.000 -6.762) 6.762 ======================= Grid point 785 (144/162) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( 0.000 -0.000 0.000) 0.000 1.149 ( 0.000 0.000 0.000) 0.000 2.024 ( -0.000 0.000 0.000) 0.000 2.024 ( 0.000 -0.000 0.000) 0.000 3.630 ( 0.000 0.000 -0.000) 0.000 3.686 ( 0.000 0.000 0.000) 0.000 5.759 ( 0.000 -0.000 0.000) 0.000 7.080 ( 0.000 -0.000 0.000) 0.000 7.080 ( 0.000 0.000 0.000) 0.000 9.651 ( 0.000 0.000 0.000) 0.000 10.124 ( 0.000 0.000 0.000) 0.000 10.124 ( -0.000 0.000 0.000) 0.000 10.452 ( -0.000 0.000 0.000) 0.000 11.525 ( -0.000 -0.000 0.000) 0.000 11.525 ( 0.000 0.000 0.000) 0.000 14.440 ( 0.000 -0.000 0.000) 0.000 14.440 ( 0.000 -0.000 0.000) 0.000 14.679 ( 0.000 -0.000 0.000) 0.000 14.679 ( 0.000 -0.000 0.000) 0.000 16.394 ( -0.000 -0.000 0.000) 0.000 16.394 ( 0.000 0.000 0.000) 0.000 18.279 ( 0.000 -0.000 0.000) 0.000 19.959 ( 0.000 -0.000 0.000) 0.000 20.818 ( 0.000 -0.000 0.000) 0.000 21.413 ( -0.000 0.000 0.000) 0.000 21.413 ( 0.000 0.000 0.000) 0.000 21.590 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 787 (145/162) ======================= q-point: ( 0.08 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( 12.023 6.941 0.000) 13.883 1.624 ( 25.343 14.632 0.000) 29.264 2.106 ( 7.291 4.210 0.000) 8.419 2.160 ( 15.768 9.104 0.000) 18.207 3.539 ( -6.765 -3.906 -0.000) 7.811 3.675 ( 1.537 0.887 0.000) 1.775 5.731 ( -2.491 -1.438 0.000) 2.877 7.087 ( 0.844 0.487 0.000) 0.974 7.112 ( 2.534 1.463 0.000) 2.926 9.595 ( -4.846 -2.798 0.000) 5.596 10.113 ( -1.023 -0.590 0.000) 1.181 10.135 ( -2.595 -1.498 0.000) 2.996 10.564 ( 10.792 6.231 0.000) 12.461 11.464 ( -4.502 -2.599 0.000) 5.198 11.563 ( 3.399 1.962 0.000) 3.924 14.472 ( 3.302 1.906 0.000) 3.813 14.588 ( 5.762 3.327 0.000) 6.654 14.793 ( 16.614 9.592 0.000) 19.185 14.821 ( 11.547 6.667 0.000) 13.333 16.342 ( -4.308 -2.487 0.000) 4.975 16.477 ( 7.267 4.196 0.000) 8.391 18.279 ( -0.084 -0.048 0.000) 0.097 19.968 ( 0.692 0.400 -0.000) 0.800 20.809 ( -0.783 -0.452 0.000) 0.904 21.102 ( -20.658 -11.927 0.000) 23.854 21.389 ( -2.011 -1.161 0.000) 2.323 21.720 ( 5.101 2.945 0.000) 5.890 ======================= Grid point 789 (146/162) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( 6.768 3.907 0.000) 7.814 1.926 ( 6.478 3.740 0.000) 7.480 2.346 ( 12.860 7.425 0.000) 14.849 2.616 ( 12.738 7.355 -0.000) 14.709 3.413 ( -1.963 -1.133 -0.000) 2.267 3.980 ( 29.741 17.171 0.000) 34.342 5.643 ( -5.321 -3.072 0.000) 6.144 7.134 ( 3.587 2.071 0.000) 4.142 7.177 ( 2.837 1.638 0.000) 3.276 9.444 ( -7.976 -4.605 0.000) 9.209 9.970 ( -11.045 -6.377 0.000) 12.754 10.071 ( -2.853 -1.647 0.000) 3.294 10.759 ( -0.399 -0.231 0.000) 0.461 11.440 ( 6.616 3.820 0.000) 7.639 11.679 ( 6.800 3.926 0.000) 7.852 14.592 ( 6.883 3.974 -0.000) 7.947 14.636 ( 0.875 0.505 0.000) 1.010 15.161 ( 17.595 10.159 0.000) 20.317 15.430 ( 34.835 20.112 0.000) 40.224 16.219 ( -5.873 -3.391 0.000) 6.781 16.724 ( 14.610 8.435 0.000) 16.870 18.267 ( -1.089 -0.629 0.000) 1.258 19.981 ( 0.258 0.149 -0.000) 0.298 20.543 ( -27.978 -16.153 0.000) 32.306 20.784 ( -1.369 -0.790 0.000) 1.580 21.327 ( -3.301 -1.906 0.000) 3.812 21.785 ( 0.864 0.499 0.000) 0.997 ======================= Grid point 791 (147/162) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( -0.457 -0.264 0.000) 0.528 2.044 ( 4.290 2.477 -0.000) 4.953 2.610 ( 9.246 5.338 0.000) 10.676 2.697 ( -1.410 -0.814 0.000) 1.628 3.524 ( 11.536 6.661 0.000) 13.321 4.904 ( 46.474 26.832 0.000) 53.663 5.491 ( -7.940 -4.584 0.000) 9.169 7.236 ( 2.434 1.406 0.000) 2.811 7.256 ( 7.238 4.179 0.000) 8.358 9.257 ( -8.021 -4.631 0.000) 9.261 9.663 ( -15.526 -8.964 0.000) 17.928 9.979 ( -5.173 -2.987 0.000) 5.973 10.507 ( -18.485 -10.672 0.000) 21.344 11.732 ( 15.239 8.798 0.000) 17.597 11.862 ( 8.959 5.172 0.000) 10.345 14.655 ( 0.840 0.485 0.000) 0.970 14.750 ( 6.041 3.488 0.000) 6.976 15.587 ( 19.202 11.087 0.000) 22.173 16.116 ( -2.140 -1.236 0.000) 2.472 16.221 ( 31.984 18.466 0.000) 36.931 17.150 ( 23.054 13.310 0.000) 26.621 18.223 ( -2.902 -1.676 0.000) 3.351 19.862 ( -31.246 -18.040 0.000) 36.080 19.967 ( -1.746 -1.008 -0.000) 2.016 20.748 ( -1.740 -1.005 0.000) 2.009 21.250 ( -3.297 -1.903 0.000) 3.807 21.775 ( -1.372 -0.792 0.000) 1.584 ======================= Grid point 793 (148/162) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( -1.356 -0.783 0.000) 1.565 2.120 ( 2.378 1.373 -0.000) 2.746 2.657 ( -1.332 -0.769 -0.000) 1.539 2.778 ( 6.248 3.607 0.000) 7.214 3.855 ( 15.420 8.903 0.000) 17.805 5.292 ( -9.263 -5.348 0.000) 10.695 5.961 ( 45.259 26.130 0.000) 52.261 7.289 ( 2.240 1.293 0.000) 2.587 7.455 ( 9.887 5.708 0.000) 11.417 9.102 ( -5.264 -3.039 0.000) 6.078 9.288 ( -16.769 -9.681 0.000) 19.363 9.844 ( -6.394 -3.692 -0.000) 7.383 10.005 ( -24.875 -14.362 0.000) 28.723 12.043 ( 11.476 6.625 -0.000) 13.251 12.066 ( 8.566 4.945 0.000) 9.891 14.674 ( 0.846 0.489 0.000) 0.977 14.831 ( 0.860 0.496 0.000) 0.993 15.994 ( 15.637 9.028 0.000) 18.056 16.168 ( 7.268 4.196 0.000) 8.393 16.815 ( 20.474 11.820 0.000) 23.641 17.732 ( 26.139 15.091 0.000) 30.183 18.138 ( -4.402 -2.542 0.000) 5.083 19.162 ( -29.549 -17.060 0.000) 34.120 19.897 ( -4.298 -2.481 -0.000) 4.963 20.707 ( -1.789 -1.033 0.000) 2.066 21.186 ( -2.199 -1.270 0.000) 2.540 21.735 ( -1.902 -1.098 0.000) 2.196 ======================= Grid point 795 (149/162) ======================= q-point: ( 0.42 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( -0.570 -0.329 0.000) 0.659 2.153 ( 0.671 0.387 0.000) 0.775 2.644 ( -0.011 -0.006 0.000) 0.012 2.903 ( 4.494 2.595 0.000) 5.190 4.154 ( 9.949 5.744 0.000) 11.488 5.096 ( -7.215 -4.165 0.000) 8.331 6.909 ( 37.027 21.378 0.000) 42.755 7.334 ( 1.513 0.874 0.000) 1.747 7.660 ( 5.966 3.445 0.000) 6.889 8.952 ( -10.759 -6.212 -0.000) 12.424 9.023 ( -1.816 -1.048 0.000) 2.097 9.419 ( -25.458 -14.698 0.000) 29.397 9.710 ( -4.881 -2.818 0.000) 5.636 12.229 ( 5.318 3.070 -0.000) 6.140 12.241 ( 5.866 3.387 0.000) 6.773 14.691 ( 0.542 0.313 0.000) 0.626 14.810 ( -1.816 -1.049 0.000) 2.097 16.286 ( 10.808 6.240 0.000) 12.480 16.388 ( 8.887 5.131 0.000) 10.262 17.169 ( 10.766 6.216 0.000) 12.432 18.042 ( -3.433 -1.982 0.000) 3.964 18.238 ( 16.773 9.684 0.000) 19.368 18.573 ( -20.840 -12.032 -0.000) 24.064 19.789 ( -4.532 -2.616 0.000) 5.233 20.672 ( -1.231 -0.710 0.000) 1.421 21.151 ( -0.958 -0.553 0.000) 1.106 21.698 ( -1.254 -0.724 0.000) 1.448 ======================= Grid point 797 (150/162) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( 0.000 0.000 0.000) 0.000 2.159 ( 0.000 0.000 0.000) 0.000 2.645 ( 0.000 0.000 0.000) 0.000 2.959 ( -0.000 0.000 0.000) 0.000 4.273 ( 0.000 0.000 0.000) 0.000 5.005 ( 0.000 0.000 0.000) 0.000 7.352 ( 0.000 -0.000 0.000) 0.000 7.527 ( -0.000 -0.000 0.000) 0.000 7.591 ( 0.000 0.000 0.000) 0.000 8.920 ( -0.000 -0.000 -0.000) 0.000 8.979 ( 0.000 0.000 0.000) 0.000 9.006 ( -0.000 0.000 0.000) 0.000 9.650 ( -0.000 0.000 0.000) 0.000 12.292 ( -0.000 0.000 0.000) 0.000 12.308 ( 0.000 -0.000 0.000) 0.000 14.697 ( -0.000 0.000 0.000) 0.000 14.784 ( 0.000 -0.000 0.000) 0.000 16.441 ( 0.000 0.000 0.000) 0.000 16.483 ( -0.000 -0.000 0.000) 0.000 17.294 ( 0.000 0.000 0.000) 0.000 18.004 ( 0.000 0.000 0.000) 0.000 18.310 ( -0.000 0.000 0.000) 0.000 18.438 ( 0.000 -0.000 -0.000) 0.000 19.730 ( 0.000 0.000 0.000) 0.000 20.657 ( 0.000 0.000 0.000) 0.000 21.140 ( 0.000 0.000 0.000) 0.000 21.683 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 813 (151/162) ======================= q-point: ( 0.08 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( 7.448 12.900 -10.920) 18.469 1.828 ( 2.215 3.836 9.312) 10.312 2.340 ( 9.759 16.904 16.035) 25.261 2.478 ( 10.586 18.335 -15.563) 26.276 3.421 ( -3.686 -6.385 5.460) 9.174 3.833 ( 11.785 20.413 -4.161) 23.935 5.672 ( -2.662 -4.611 0.225) 5.329 7.114 ( 1.611 2.790 -2.023) 3.805 7.159 ( 1.574 2.726 1.444) 3.463 9.493 ( -4.164 -7.212 0.128) 8.328 10.041 ( -4.977 -8.621 -0.263) 9.958 10.061 ( -2.766 -4.791 1.951) 5.866 10.788 ( 7.718 13.367 -1.924) 15.554 11.352 ( -4.104 -7.108 0.750) 8.242 11.673 ( 5.309 9.195 -0.934) 10.659 14.470 ( 0.189 0.328 0.563) 0.678 14.829 ( 4.449 7.706 2.993) 9.388 14.890 ( 9.302 16.112 -1.797) 18.691 15.278 ( 18.650 32.303 -1.577) 37.334 16.251 ( -3.614 -6.260 1.919) 7.479 16.644 ( 7.361 12.750 -1.545) 14.804 18.273 ( -0.422 -0.732 0.017) 0.845 19.979 ( 0.280 0.485 -0.115) 0.572 20.703 ( -14.645 -25.365 4.747) 29.671 20.799 ( -1.213 -2.101 -2.507) 3.489 21.345 ( -1.887 -3.268 -5.213) 6.435 21.777 ( 1.087 1.882 3.024) 3.724 ======================= Grid point 815 (152/162) ======================= q-point: ( 0.17 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( -3.904 8.512 -2.201) 9.619 1.901 ( 9.104 -4.068 -1.748) 10.124 2.630 ( 1.138 9.383 -6.262) 11.338 2.733 ( 6.478 15.149 10.339) 19.451 3.379 ( 6.559 -1.649 3.677) 7.697 4.532 ( 32.540 36.829 -3.155) 49.246 5.551 ( -5.238 -6.078 0.735) 8.058 7.201 ( 2.164 2.225 1.148) 3.309 7.212 ( 4.073 4.158 -1.844) 6.106 9.329 ( -6.445 -6.746 -0.098) 9.331 9.801 ( -11.606 -10.383 0.486) 15.580 9.930 ( -2.583 -12.666 2.310) 13.132 10.849 ( -17.468 8.942 -2.146) 19.741 11.354 ( 17.508 -10.466 0.194) 20.398 11.910 ( 6.949 16.324 -1.807) 17.833 14.489 ( 4.008 -4.636 -0.465) 6.146 14.932 ( -3.327 17.261 3.285) 17.883 15.316 ( 21.502 9.107 0.489) 23.356 16.005 ( 24.734 34.054 -3.023) 42.197 16.126 ( -3.116 -5.463 2.554) 6.788 16.981 ( 14.942 17.724 -1.465) 23.228 18.243 ( -1.689 -2.047 0.004) 2.654 19.975 ( -0.704 -1.084 -0.338) 1.336 20.109 ( -23.026 -26.856 3.659) 35.564 20.770 ( -1.383 -0.706 -1.422) 2.106 21.269 ( -2.557 -3.810 -6.093) 7.628 21.787 ( -0.616 -0.402 4.057) 4.124 ======================= Grid point 817 (153/162) ======================= q-point: ( 0.25 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( -5.177 3.394 -1.262) 6.318 2.022 ( 7.525 -2.276 -1.725) 8.049 2.652 ( -0.187 -0.823 -2.276) 2.427 2.927 ( -5.358 22.127 5.659) 23.459 3.650 ( 18.925 6.989 1.644) 20.241 5.378 ( -7.193 -6.215 1.952) 9.705 5.513 ( 39.183 32.929 -1.694) 51.211 7.230 ( 2.599 -2.186 1.769) 3.829 7.382 ( 7.330 8.156 -2.301) 11.204 9.162 ( -6.041 -4.922 -1.306) 7.901 9.464 ( -15.025 -10.702 1.794) 18.534 9.722 ( -3.100 -19.806 3.073) 20.282 10.515 ( -28.177 7.977 -2.732) 29.411 11.598 ( 21.686 -12.649 -0.156) 25.105 12.194 ( 5.357 18.398 -2.670) 19.347 14.501 ( 4.850 -8.618 -1.071) 9.947 15.039 ( -5.105 17.224 3.090) 18.228 15.761 ( 19.831 8.058 2.792) 21.587 16.082 ( 3.741 -1.768 3.309) 5.298 16.682 ( 18.240 25.940 -4.767) 32.067 17.499 ( 21.910 21.655 -1.414) 30.838 18.172 ( -3.275 -3.559 -0.077) 4.837 19.431 ( -25.596 -24.919 3.965) 35.942 19.924 ( -2.725 -3.748 -0.610) 4.673 20.737 ( -1.970 -0.134 -1.840) 2.699 21.193 ( -1.788 -3.703 -5.668) 7.003 21.758 ( -1.705 -0.868 4.191) 4.607 ======================= Grid point 819 (154/162) ======================= q-point: ( 0.33 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( -3.431 3.422 -1.469) 5.063 2.101 ( 4.297 -2.021 -0.846) 4.823 2.642 ( -0.055 -0.302 1.102) 1.144 3.040 ( -5.786 20.920 1.403) 21.750 4.036 ( 14.300 10.082 0.716) 17.512 5.182 ( -8.164 -5.562 2.230) 10.127 6.470 ( 38.497 23.996 0.395) 45.365 7.254 ( 4.294 -4.639 1.797) 6.572 7.598 ( 7.549 7.913 -2.182) 11.152 8.999 ( -7.809 -9.295 -4.665) 13.005 9.137 ( -10.122 -6.341 4.614) 12.805 9.445 ( -6.581 -17.720 4.184) 19.360 10.113 ( -27.587 9.974 -3.973) 29.603 11.810 ( 19.028 -15.394 -0.082) 24.475 12.428 ( 1.342 16.738 -3.159) 17.087 14.486 ( 5.231 -11.569 -1.067) 12.742 15.080 ( -9.118 16.279 2.129) 18.779 16.107 ( 14.012 3.510 7.186) 16.134 16.243 ( 12.407 3.380 1.674) 12.968 17.137 ( 9.563 19.437 -5.079) 22.249 18.060 ( 14.528 13.199 -3.870) 20.006 18.073 ( 0.494 -0.140 -0.834) 0.979 18.793 ( -22.061 -19.266 6.347) 29.969 19.814 ( -3.824 -6.204 -0.769) 7.328 20.703 ( -2.184 0.624 -2.460) 3.349 21.141 ( -0.323 -3.236 -4.949) 5.922 21.721 ( -1.793 -0.311 4.059) 4.448 ======================= Grid point 821 (155/162) ======================= q-point: ( 0.42 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( -2.609 3.846 -1.347) 4.838 2.134 ( 2.001 -2.010 -0.480) 2.877 2.643 ( 0.157 -0.001 1.830) 1.836 3.128 ( -7.869 19.055 -0.147) 20.616 4.286 ( 3.722 7.780 0.852) 8.667 5.025 ( -4.007 -3.004 2.260) 5.494 7.179 ( 18.532 -1.023 3.302) 18.852 7.338 ( 14.788 5.486 0.211) 15.775 7.703 ( -3.909 0.332 -1.543) 4.215 8.788 ( -0.456 -8.065 -3.003) 8.618 8.925 ( -4.183 -16.679 1.795) 17.289 9.253 ( -9.850 10.410 4.113) 14.909 9.832 ( -15.026 9.621 -4.149) 18.318 11.930 ( 14.380 -18.543 -0.042) 23.466 12.557 ( -4.025 13.740 -3.353) 14.705 14.462 ( 6.360 -12.635 -0.867) 14.172 15.073 ( -10.138 16.687 1.549) 19.587 16.332 ( 9.589 -0.991 8.355) 12.757 16.437 ( 5.848 0.228 2.522) 6.373 17.388 ( -0.344 14.542 -4.996) 15.380 17.994 ( -0.428 -2.700 -0.818) 2.853 18.277 ( -3.817 -10.259 -15.094) 18.646 18.492 ( 0.274 8.542 16.100) 18.228 19.704 ( -0.716 -6.103 -0.672) 6.181 20.679 ( -1.644 1.504 -2.939) 3.689 21.117 ( 0.939 -2.762 -4.476) 5.342 21.696 ( -1.093 0.573 3.950) 4.138 ======================= Grid point 839 (156/162) ======================= q-point: ( 0.17 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( -1.556 -2.695 -2.859) 4.226 1.898 ( 3.135 5.429 -0.767) 6.316 2.651 ( -0.396 -0.686 -1.781) 1.949 3.228 ( 14.392 24.928 6.837) 29.586 3.393 ( 3.516 6.090 2.052) 7.325 5.330 ( 24.520 42.470 -2.256) 49.092 5.413 ( -4.513 -7.817 1.950) 9.235 7.194 ( -0.929 -1.609 1.885) 2.647 7.359 ( 5.396 9.346 -2.652) 11.113 9.192 ( -4.015 -6.954 -1.462) 8.162 9.580 ( -6.937 -12.016 1.560) 13.962 9.608 ( -10.685 -18.506 3.710) 21.689 11.043 ( 0.258 0.447 -3.983) 4.016 11.102 ( -3.113 -5.391 0.479) 6.244 12.238 ( 9.331 16.162 -3.053) 18.911 14.413 ( -2.035 -3.525 -0.783) 4.145 15.214 ( 6.059 10.495 5.689) 13.387 15.584 ( 10.326 17.885 0.454) 20.657 16.035 ( -1.553 -2.690 5.065) 5.942 16.660 ( 17.607 30.496 -5.784) 35.686 17.419 ( 15.233 26.384 -1.847) 30.522 18.182 ( -2.396 -4.150 -0.088) 4.792 19.528 ( -18.035 -31.238 5.569) 36.497 19.927 ( -2.366 -4.098 -0.829) 4.804 20.756 ( -0.391 -0.678 -2.378) 2.503 21.187 ( -2.449 -4.241 -8.341) 9.672 21.769 ( -0.721 -1.248 5.921) 6.094 ======================= Grid point 841 (157/162) ======================= q-point: ( 0.25 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.715 ( -3.347 2.584 -3.297) 5.362 1.999 ( 4.862 -0.204 0.266) 4.873 2.641 ( -0.113 -0.246 1.695) 1.716 3.425 ( -8.736 26.316 1.634) 27.777 3.824 ( 23.234 11.236 1.739) 25.867 5.249 ( -6.237 -6.706 3.242) 9.715 6.150 ( 28.376 30.555 0.234) 41.699 7.153 ( 0.613 -5.214 2.131) 5.666 7.561 ( 6.733 9.542 -2.698) 11.986 9.038 ( -6.460 -8.598 -4.276) 11.573 9.194 ( -12.692 -20.617 4.693) 24.661 9.418 ( -2.366 -4.025 3.536) 5.857 10.705 ( -29.402 9.998 -2.990) 31.199 11.290 ( 22.242 -18.390 -1.899) 28.922 12.522 ( 5.713 14.650 -3.888) 16.198 14.343 ( 0.147 -7.439 -0.793) 7.482 15.355 ( -3.255 13.931 3.768) 14.794 15.942 ( 12.174 10.656 5.072) 16.955 16.069 ( 8.307 1.116 5.995) 10.305 17.172 ( 11.810 23.053 -6.852) 26.793 17.961 ( 16.755 23.764 -4.881) 29.483 18.082 ( -3.494 -5.552 -0.342) 6.569 18.924 ( -18.680 -25.340 8.563) 32.625 19.811 ( -4.205 -7.808 -1.224) 8.952 20.743 ( -1.172 0.781 -3.551) 3.820 21.112 ( -1.232 -4.289 -8.287) 9.412 21.743 ( -1.142 -0.626 6.351) 6.483 ======================= Grid point 843 (158/162) ======================= q-point: ( 0.33 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( -3.162 4.710 -2.421) 6.168 2.057 ( 3.698 -2.679 -0.324) 4.578 2.642 ( 0.121 0.196 3.114) 3.122 3.536 ( -10.235 27.929 0.071) 29.746 4.252 ( 12.749 11.456 0.825) 17.160 5.078 ( -6.405 -5.075 3.772) 9.000 6.834 ( 23.648 10.030 3.641) 25.943 7.154 ( 7.764 -2.200 1.598) 8.227 7.729 ( 2.597 4.348 -2.115) 5.488 8.765 ( -8.626 -15.403 1.633) 17.729 8.850 ( -6.303 -15.186 -1.289) 16.493 9.456 ( 0.177 13.657 2.463) 13.879 10.299 ( -27.451 8.375 -3.995) 28.977 11.449 ( 18.885 -21.194 -1.970) 28.455 12.710 ( 0.816 11.797 -4.307) 12.585 14.279 ( 2.275 -9.171 -0.534) 9.464 15.394 ( -8.020 14.901 1.783) 17.016 16.173 ( 8.995 3.759 11.495) 15.072 16.299 ( 11.049 2.341 4.428) 12.131 17.521 ( 4.903 18.329 -6.518) 20.061 17.973 ( -1.952 -5.342 -1.026) 5.779 18.263 ( -4.198 -6.659 -16.615) 18.385 18.563 ( 0.253 5.900 18.710) 19.619 19.650 ( -3.066 -10.483 -1.133) 10.981 20.733 ( -1.866 2.386 -4.813) 5.687 21.065 ( 0.645 -4.366 -7.511) 8.712 21.722 ( -1.094 0.380 6.309) 6.414 ======================= Grid point 845 (159/162) ======================= q-point: ( 0.42 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( -3.078 5.331 -1.963) 6.461 2.075 ( 2.289 -3.965 -0.660) 4.626 2.645 ( -0.088 0.152 3.421) 3.426 3.593 ( -15.195 26.319 -0.628) 30.397 4.433 ( -3.304 5.723 1.342) 6.743 4.980 ( 0.760 -1.317 3.421) 3.744 7.007 ( 6.685 -11.578 4.637) 14.151 7.389 ( 2.295 -3.975 1.782) 4.924 7.700 ( -0.298 0.516 -0.448) 0.745 8.626 ( 5.693 -9.860 3.770) 11.994 8.679 ( 2.519 -4.363 -4.360) 6.662 9.580 ( -10.641 18.431 1.838) 21.361 10.050 ( -7.780 13.475 -4.800) 16.283 11.507 ( 14.034 -24.308 -1.985) 28.139 12.775 ( -4.879 8.450 -4.430) 10.716 14.251 ( 4.930 -8.538 -0.382) 9.867 15.396 ( -8.915 15.440 1.249) 17.873 16.288 ( 1.483 -2.569 12.279) 12.632 16.407 ( 1.784 -3.091 5.649) 6.682 17.665 ( -6.763 11.713 -5.332) 14.538 17.946 ( 1.183 -2.049 -2.625) 3.534 18.077 ( 4.585 -7.941 -7.632) 11.930 18.681 ( -5.337 9.244 8.706) 13.774 19.557 ( 4.832 -8.369 -0.813) 9.698 20.728 ( -1.894 3.280 -5.407) 6.602 21.049 ( 2.303 -3.989 -7.109) 8.470 21.715 ( -0.618 1.071 6.257) 6.378 ======================= Grid point 867 (160/162) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( 1.280 2.217 -3.505) 4.340 1.997 ( -0.150 -0.260 0.618) 0.687 2.642 ( 0.161 0.278 3.550) 3.564 3.863 ( 9.341 16.179 0.455) 18.687 4.116 ( 10.679 18.496 0.391) 21.361 5.114 ( -4.093 -7.090 4.136) 9.172 6.666 ( 11.327 19.619 4.039) 23.012 7.070 ( -0.166 -0.287 1.885) 1.914 7.725 ( 3.344 5.792 -2.195) 7.038 8.758 ( -11.676 -20.223 4.979) 23.877 8.837 ( -6.450 -11.171 -4.250) 13.582 9.520 ( 7.039 12.192 1.823) 14.195 10.832 ( -5.592 -9.686 -0.949) 11.225 10.931 ( -3.240 -5.611 -5.455) 8.470 12.761 ( 5.461 9.458 -4.636) 11.865 14.213 ( -3.190 -5.525 -0.390) 6.392 15.560 ( 3.896 6.749 2.039) 8.055 16.131 ( 3.725 6.452 11.301) 13.535 16.174 ( 6.060 10.497 5.884) 13.474 17.568 ( 9.721 16.837 -7.090) 20.694 17.962 ( -3.559 -6.165 -0.877) 7.172 18.271 ( -2.298 -3.981 -16.548) 17.174 18.590 ( 1.845 3.195 19.233) 19.584 19.621 ( -6.408 -11.098 -1.286) 12.879 20.766 ( 0.857 1.484 -5.253) 5.525 21.032 ( -2.160 -3.740 -8.730) 9.740 21.734 ( -0.156 -0.271 7.030) 7.037 ======================= Grid point 869 (161/162) ======================= q-point: ( 0.33 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( -1.858 5.143 -2.250) 5.913 1.990 ( 2.040 -4.174 -0.591) 4.684 2.648 ( 0.051 0.347 4.283) 4.297 4.071 ( -7.946 24.590 -0.058) 25.842 4.446 ( 9.466 6.625 0.606) 11.570 4.978 ( -3.650 -5.022 3.396) 7.077 6.812 ( 3.496 -6.471 5.546) 9.212 7.270 ( 11.556 10.368 3.062) 15.824 7.711 ( -4.445 -7.238 0.970) 8.549 8.506 ( -0.656 -6.500 2.309) 6.929 8.639 ( -4.099 -8.358 -3.251) 9.860 9.837 ( 6.447 23.545 -0.109) 24.412 10.421 ( -25.386 3.177 -3.457) 25.816 10.995 ( 16.744 -23.843 -3.998) 29.408 12.887 ( 0.234 6.168 -4.978) 7.929 14.136 ( 0.536 -5.138 -0.071) 5.167 15.636 ( -3.359 9.021 0.376) 9.634 16.255 ( 2.965 4.283 13.220) 14.209 16.333 ( 4.498 0.884 8.811) 9.932 17.803 ( 0.829 7.851 -4.582) 9.128 17.884 ( 3.089 -2.298 -3.244) 5.035 18.029 ( -7.282 -9.570 -6.194) 13.527 18.829 ( 3.278 15.401 6.086) 16.881 19.410 ( -1.888 -13.619 -0.464) 13.757 20.795 ( -0.981 3.853 -6.717) 7.805 20.974 ( 0.651 -4.789 -8.255) 9.566 21.731 ( -0.319 0.450 7.153) 7.175 ======================= Grid point 893 (162/162) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( -2.526 -4.376 -1.422) 5.249 1.897 ( 2.526 4.376 -1.422) 5.249 2.652 ( -0.000 -0.000 4.658) 4.658 4.429 ( -5.009 -8.676 0.716) 10.044 4.429 ( 5.009 8.676 0.716) 10.044 4.914 ( 0.000 0.000 1.839) 1.839 6.734 ( -0.000 -0.000 5.791) 5.791 7.495 ( -6.177 -10.698 3.972) 12.976 7.495 ( 6.177 10.698 3.972) 12.976 8.507 ( -2.310 -4.001 -1.343) 4.812 8.507 ( 2.310 4.001 -1.343) 4.812 10.301 ( -9.742 -16.873 -0.970) 19.508 10.301 ( 9.742 16.873 -0.970) 19.508 10.683 ( -0.000 -0.000 -7.165) 7.165 12.948 ( -0.000 -0.000 -5.197) 5.197 14.084 ( -0.000 -0.000 0.114) 0.114 15.728 ( -0.000 -0.000 -0.677) 0.677 16.323 ( -1.052 -1.822 12.529) 12.704 16.323 ( 1.052 1.822 12.529) 12.704 17.839 ( -1.080 -1.871 -2.811) 3.545 17.839 ( 1.080 1.871 -2.811) 3.545 17.992 ( -0.000 -0.000 -7.149) 7.149 19.127 ( -7.426 -12.862 1.710) 14.950 19.127 ( 7.426 12.862 1.710) 14.950 20.880 ( -2.332 -4.039 -7.911) 9.183 20.880 ( 2.332 4.039 -7.911) 9.183 21.736 ( -0.000 -0.000 7.347) 7.347 =================== 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 3/38880 10.0 848.930 848.930 316.758 0.000 0.000 0.000 3/38880 20.0 156.091 156.091 65.598 -0.000 0.000 0.000 3/38880 30.0 75.245 75.245 31.484 -0.000 0.000 0.000 3/38880 40.0 52.206 52.206 20.996 -0.000 0.000 0.000 3/38880 50.0 41.817 41.817 15.888 -0.000 0.000 0.000 3/38880 60.0 35.751 35.751 12.836 -0.000 0.000 0.000 3/38880 70.0 31.656 31.656 10.801 -0.000 0.000 0.000 3/38880 80.0 28.618 28.618 9.344 -0.000 0.000 0.000 3/38880 90.0 26.212 26.212 8.248 -0.000 0.000 0.000 3/38880 100.0 24.215 24.215 7.392 -0.000 0.000 0.000 3/38880 110.0 22.504 22.504 6.705 -0.000 0.000 0.000 3/38880 120.0 21.009 21.009 6.142 -0.000 0.000 0.000 3/38880 130.0 19.685 19.685 5.673 -0.000 0.000 0.000 3/38880 140.0 18.504 18.504 5.275 -0.000 0.000 0.000 3/38880 150.0 17.444 17.444 4.935 -0.000 0.000 0.000 3/38880 160.0 16.489 16.489 4.641 -0.000 0.000 0.000 3/38880 170.0 15.624 15.624 4.383 -0.000 0.000 0.000 3/38880 180.0 14.840 14.840 4.156 -0.000 0.000 0.000 3/38880 190.0 14.125 14.125 3.954 -0.000 0.000 0.000 3/38880 200.0 13.473 13.473 3.773 -0.000 0.000 0.000 3/38880 210.0 12.876 12.876 3.610 -0.000 0.000 0.000 3/38880 220.0 12.327 12.327 3.462 -0.000 0.000 0.000 3/38880 230.0 11.822 11.822 3.327 -0.000 0.000 0.000 3/38880 240.0 11.356 11.356 3.203 -0.000 0.000 0.000 3/38880 250.0 10.924 10.924 3.088 -0.000 0.000 0.000 3/38880 260.0 10.523 10.523 2.982 -0.000 0.000 0.000 3/38880 270.0 10.149 10.149 2.884 -0.000 0.000 0.000 3/38880 280.0 9.802 9.802 2.792 -0.000 0.000 0.000 3/38880 290.0 9.476 9.476 2.707 -0.000 0.000 0.000 3/38880 300.0 9.172 9.172 2.626 -0.000 0.000 0.000 3/38880 310.0 8.886 8.886 2.551 -0.000 0.000 0.000 3/38880 320.0 8.617 8.617 2.480 -0.000 0.000 0.000 3/38880 330.0 8.364 8.364 2.413 -0.000 0.000 0.000 3/38880 340.0 8.125 8.125 2.349 -0.000 0.000 0.000 3/38880 350.0 7.900 7.900 2.289 -0.000 0.000 0.000 3/38880 360.0 7.686 7.686 2.232 -0.000 0.000 0.000 3/38880 370.0 7.484 7.484 2.177 -0.000 0.000 0.000 3/38880 380.0 7.292 7.292 2.125 -0.000 0.000 0.000 3/38880 390.0 7.109 7.109 2.076 -0.000 0.000 0.000 3/38880 400.0 6.936 6.936 2.029 -0.000 0.000 0.000 3/38880 410.0 6.770 6.770 1.984 -0.000 0.000 0.000 3/38880 420.0 6.613 6.613 1.941 -0.000 0.000 0.000 3/38880 430.0 6.462 6.462 1.899 -0.000 0.000 0.000 3/38880 440.0 6.318 6.318 1.860 -0.000 0.000 0.000 3/38880 450.0 6.181 6.181 1.822 -0.000 0.000 0.000 3/38880 460.0 6.049 6.049 1.785 -0.000 0.000 0.000 3/38880 470.0 5.922 5.922 1.750 -0.000 0.000 0.000 3/38880 480.0 5.801 5.801 1.716 -0.000 0.000 0.000 3/38880 490.0 5.685 5.685 1.684 -0.000 0.000 0.000 3/38880 500.0 5.573 5.573 1.653 -0.000 0.000 0.000 3/38880 510.0 5.466 5.466 1.623 -0.000 0.000 0.000 3/38880 520.0 5.362 5.362 1.593 -0.000 0.000 0.000 3/38880 530.0 5.263 5.263 1.565 -0.000 0.000 0.000 3/38880 540.0 5.167 5.167 1.538 -0.000 0.000 0.000 3/38880 550.0 5.074 5.074 1.512 -0.000 0.000 0.000 3/38880 560.0 4.985 4.985 1.487 -0.000 0.000 0.000 3/38880 570.0 4.898 4.898 1.462 -0.000 0.000 0.000 3/38880 580.0 4.815 4.815 1.438 -0.000 0.000 0.000 3/38880 590.0 4.734 4.734 1.415 -0.000 0.000 0.000 3/38880 600.0 4.657 4.657 1.393 -0.000 0.000 0.000 3/38880 610.0 4.581 4.581 1.371 -0.000 0.000 0.000 3/38880 620.0 4.508 4.508 1.350 -0.000 0.000 0.000 3/38880 630.0 4.437 4.437 1.330 -0.000 0.000 0.000 3/38880 640.0 4.369 4.369 1.310 -0.000 0.000 0.000 3/38880 650.0 4.302 4.302 1.291 -0.000 0.000 0.000 3/38880 660.0 4.238 4.238 1.273 -0.000 0.000 0.000 3/38880 670.0 4.175 4.175 1.254 -0.000 0.000 0.000 3/38880 680.0 4.115 4.115 1.237 -0.000 0.000 0.000 3/38880 690.0 4.056 4.056 1.220 -0.000 0.000 0.000 3/38880 700.0 3.998 3.998 1.203 -0.000 0.000 0.000 3/38880 710.0 3.942 3.942 1.187 -0.000 0.000 0.000 3/38880 720.0 3.888 3.888 1.171 -0.000 0.000 0.000 3/38880 730.0 3.835 3.835 1.156 -0.000 0.000 0.000 3/38880 740.0 3.784 3.784 1.141 -0.000 0.000 0.000 3/38880 750.0 3.734 3.734 1.126 -0.000 0.000 0.000 3/38880 760.0 3.685 3.685 1.112 -0.000 0.000 0.000 3/38880 770.0 3.638 3.638 1.098 -0.000 0.000 0.000 3/38880 780.0 3.592 3.592 1.084 -0.000 0.000 0.000 3/38880 790.0 3.547 3.547 1.071 -0.000 0.000 0.000 3/38880 800.0 3.503 3.503 1.058 -0.000 0.000 0.000 3/38880 810.0 3.460 3.460 1.045 -0.000 0.000 0.000 3/38880 820.0 3.418 3.418 1.033 -0.000 0.000 0.000 3/38880 830.0 3.377 3.377 1.021 -0.000 0.000 0.000 3/38880 840.0 3.337 3.337 1.009 -0.000 0.000 0.000 3/38880 850.0 3.298 3.298 0.998 -0.000 0.000 0.000 3/38880 860.0 3.260 3.260 0.987 -0.000 0.000 0.000 3/38880 870.0 3.223 3.223 0.976 -0.000 0.000 0.000 3/38880 880.0 3.186 3.186 0.965 -0.000 0.000 0.000 3/38880 890.0 3.151 3.151 0.954 -0.000 0.000 0.000 3/38880 900.0 3.116 3.116 0.944 -0.000 0.000 0.000 3/38880 910.0 3.082 3.082 0.934 -0.000 0.000 0.000 3/38880 920.0 3.049 3.049 0.924 -0.000 0.000 0.000 3/38880 930.0 3.016 3.016 0.914 -0.000 0.000 0.000 3/38880 940.0 2.984 2.984 0.905 -0.000 0.000 0.000 3/38880 950.0 2.953 2.953 0.896 -0.000 0.000 0.000 3/38880 960.0 2.922 2.922 0.887 -0.000 0.000 0.000 3/38880 970.0 2.892 2.892 0.878 -0.000 0.000 0.000 3/38880 980.0 2.863 2.863 0.869 -0.000 0.000 0.000 3/38880 990.0 2.834 2.834 0.860 -0.000 0.000 0.000 3/38880 1000.0 2.806 2.806 0.852 -0.000 0.000 0.000 3/38880 Thermal conductivity related properties were written into "kappa-m121210.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:50:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|