----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:56:34]------------------------- 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 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) Number of symmetry operations in supercell: 144 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.920716046306401 1.108925926371832 5.864820226666660 b -1.920716046306398 1.108925926371832 5.864820226666660 c 0.000000000000002 -2.217851852743668 5.864820226666660 Atomic positions (fractional): *1 O 0.36280872532146 0.36280872532146 0.36280872532146 15.999 2 O 0.63719127467854 0.63719127467854 0.63719127467854 15.999 *3 O 0.88779011585686 0.88779011585686 0.88779011585686 15.999 4 O 0.11220988414314 0.11220988414315 0.11220988414314 15.999 *5 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 *6 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.841432092612799 0.000000000000000 0.000000000000000 b -1.920716046306400 3.326777779115500 0.000000000000000 c 0.000000000000000 0.000000000000000 17.594460679999997 Atomic positions (fractional): *1 O 0.66666666666667 0.33333333333333 0.69614205865480 15.999 > 1 2 O 0.66666666666667 0.33333333333333 0.97052460801187 15.999 > 2 *3 O 0.00000000000000 0.00000000000000 0.88779011585686 15.999 > 3 4 O 0.33333333333333 0.66666666666667 0.77887655080981 15.999 > 4 5 O 0.33333333333333 0.66666666666667 0.02947539198813 15.999 > 1 6 O 0.33333333333333 0.66666666666667 0.30385794134520 15.999 > 2 7 O 0.66666666666667 0.33333333333333 0.22112344919019 15.999 > 3 8 O 0.00000000000000 0.00000000000000 0.11220988414314 15.999 > 4 9 O 0.00000000000000 0.00000000000000 0.36280872532146 15.999 > 1 10 O 0.00000000000000 0.00000000000000 0.63719127467854 15.999 > 2 11 O 0.33333333333333 0.66666666666667 0.55445678252352 15.999 > 3 12 O 0.66666666666667 0.33333333333333 0.44554321747648 15.999 > 4 *13 Ca 0.66666666666667 0.33333333333333 0.83333333333333 40.078 > 5 14 Ca 0.33333333333333 0.66666666666667 0.16666666666667 40.078 > 5 15 Ca 0.00000000000000 0.00000000000000 0.50000000000000 40.078 > 5 *16 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 > 6 17 U 0.66666666666667 0.33333333333333 0.33333333333333 238.029 > 6 18 U 0.33333333333333 0.66666666666667 0.66666666666667 238.029 > 6 -------------------------------- super cell -------------------------------- Lattice vectors: a 7.682864185225598 0.000000000000000 0.000000000000000 b -3.841432092612800 6.653555558231000 0.000000000000000 c 0.000000000000000 0.000000000000000 17.594460679999997 Atomic positions (fractional): *1 O 0.33333333333333 0.16666666666667 0.69614205865480 15.999 > 1 2 O 0.83333333333333 0.16666666666667 0.69614205865480 15.999 > 1 3 O 0.33333333333333 0.66666666666667 0.69614205865480 15.999 > 1 4 O 0.83333333333333 0.66666666666667 0.69614205865480 15.999 > 1 5 O 0.33333333333333 0.16666666666667 0.97052460801187 15.999 > 2 6 O 0.83333333333333 0.16666666666667 0.97052460801187 15.999 > 2 7 O 0.33333333333333 0.66666666666667 0.97052460801187 15.999 > 2 8 O 0.83333333333333 0.66666666666667 0.97052460801187 15.999 > 2 *9 O 0.00000000000000 0.00000000000000 0.88779011585686 15.999 > 3 10 O 0.50000000000000 0.00000000000000 0.88779011585686 15.999 > 3 11 O 0.00000000000000 0.50000000000000 0.88779011585686 15.999 > 3 12 O 0.50000000000000 0.50000000000000 0.88779011585686 15.999 > 3 13 O 0.16666666666667 0.33333333333333 0.77887655080981 15.999 > 4 14 O 0.66666666666667 0.33333333333333 0.77887655080981 15.999 > 4 15 O 0.16666666666667 0.83333333333333 0.77887655080981 15.999 > 4 16 O 0.66666666666667 0.83333333333333 0.77887655080981 15.999 > 4 17 O 0.16666666666667 0.33333333333333 0.02947539198813 15.999 > 1 18 O 0.66666666666667 0.33333333333333 0.02947539198813 15.999 > 1 19 O 0.16666666666667 0.83333333333333 0.02947539198813 15.999 > 1 20 O 0.66666666666667 0.83333333333333 0.02947539198813 15.999 > 1 21 O 0.16666666666667 0.33333333333333 0.30385794134520 15.999 > 2 22 O 0.66666666666667 0.33333333333333 0.30385794134520 15.999 > 2 23 O 0.16666666666667 0.83333333333333 0.30385794134520 15.999 > 2 24 O 0.66666666666667 0.83333333333333 0.30385794134520 15.999 > 2 25 O 0.33333333333333 0.16666666666667 0.22112344919019 15.999 > 3 26 O 0.83333333333333 0.16666666666667 0.22112344919019 15.999 > 3 27 O 0.33333333333333 0.66666666666667 0.22112344919019 15.999 > 3 28 O 0.83333333333333 0.66666666666667 0.22112344919019 15.999 > 3 29 O 0.00000000000000 0.00000000000000 0.11220988414314 15.999 > 4 30 O 0.50000000000000 0.00000000000000 0.11220988414314 15.999 > 4 31 O 0.00000000000000 0.50000000000000 0.11220988414314 15.999 > 4 32 O 0.50000000000000 0.50000000000000 0.11220988414314 15.999 > 4 33 O 0.00000000000000 0.00000000000000 0.36280872532146 15.999 > 1 34 O 0.50000000000000 0.00000000000000 0.36280872532146 15.999 > 1 35 O 0.00000000000000 0.50000000000000 0.36280872532146 15.999 > 1 36 O 0.50000000000000 0.50000000000000 0.36280872532146 15.999 > 1 37 O 0.00000000000000 0.00000000000000 0.63719127467854 15.999 > 2 38 O 0.50000000000000 0.00000000000000 0.63719127467854 15.999 > 2 39 O 0.00000000000000 0.50000000000000 0.63719127467854 15.999 > 2 40 O 0.50000000000000 0.50000000000000 0.63719127467854 15.999 > 2 41 O 0.16666666666667 0.33333333333333 0.55445678252352 15.999 > 3 42 O 0.66666666666667 0.33333333333333 0.55445678252352 15.999 > 3 43 O 0.16666666666667 0.83333333333333 0.55445678252352 15.999 > 3 44 O 0.66666666666667 0.83333333333333 0.55445678252352 15.999 > 3 45 O 0.33333333333333 0.16666666666667 0.44554321747648 15.999 > 4 46 O 0.83333333333333 0.16666666666667 0.44554321747648 15.999 > 4 47 O 0.33333333333333 0.66666666666667 0.44554321747648 15.999 > 4 48 O 0.83333333333333 0.66666666666667 0.44554321747648 15.999 > 4 *49 Ca 0.33333333333333 0.16666666666667 0.83333333333333 40.078 > 5 50 Ca 0.83333333333333 0.16666666666667 0.83333333333333 40.078 > 5 51 Ca 0.33333333333333 0.66666666666667 0.83333333333333 40.078 > 5 52 Ca 0.83333333333333 0.66666666666667 0.83333333333333 40.078 > 5 53 Ca 0.16666666666667 0.33333333333333 0.16666666666667 40.078 > 5 54 Ca 0.66666666666667 0.33333333333333 0.16666666666667 40.078 > 5 55 Ca 0.16666666666667 0.83333333333333 0.16666666666667 40.078 > 5 56 Ca 0.66666666666667 0.83333333333333 0.16666666666667 40.078 > 5 57 Ca 0.00000000000000 0.00000000000000 0.50000000000000 40.078 > 5 58 Ca 0.50000000000000 0.00000000000000 0.50000000000000 40.078 > 5 59 Ca 0.00000000000000 0.50000000000000 0.50000000000000 40.078 > 5 60 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 > 5 *61 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 > 6 62 U 0.50000000000000 0.00000000000000 0.00000000000000 238.029 > 6 63 U 0.00000000000000 0.50000000000000 0.00000000000000 238.029 > 6 64 U 0.50000000000000 0.50000000000000 0.00000000000000 238.029 > 6 65 U 0.33333333333333 0.16666666666667 0.33333333333333 238.029 > 6 66 U 0.83333333333333 0.16666666666667 0.33333333333333 238.029 > 6 67 U 0.33333333333333 0.66666666666667 0.33333333333333 238.029 > 6 68 U 0.83333333333333 0.66666666666667 0.33333333333333 238.029 > 6 69 U 0.16666666666667 0.33333333333333 0.66666666666667 238.029 > 6 70 U 0.66666666666667 0.33333333333333 0.66666666666667 238.029 > 6 71 U 0.16666666666667 0.83333333333333 0.66666666666667 238.029 > 6 72 U 0.66666666666667 0.83333333333333 0.66666666666667 238.029 > 6 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.7659597 0.0000000 0.0000000 0.0000000 6.7659597 0.0000000 0.0000000 0.0000000 5.1855283 -------------------------- Born effective charges -------------------------- 1 O -3.4972892 0.0000000 0.0000000 0.0000000 -3.4972892 0.0000000 0.0000000 0.0000000 -0.9884659 2 O -3.4972892 0.0000000 0.0000000 0.0000000 -3.4972892 0.0000000 0.0000000 0.0000000 -0.9884659 3 O -1.3948530 -0.0000000 0.0000000 0.0000000 -1.3948530 0.0000000 0.0000000 0.0000000 -3.6693566 4 O -1.3948530 -0.0000000 0.0000000 0.0000000 -1.3948530 0.0000000 0.0000000 0.0000000 -3.6693566 5 Ca 2.2540776 0.0000000 0.0000000 0.0000000 2.2540776 0.0000000 0.0000000 0.0000000 3.5902347 6 U 7.5302069 0.0000000 0.0000000 0.0000000 7.5302069 0.0000000 0.0000000 0.0000000 5.7254102 ---------------------------------------------------------------------------- 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: 2664/2664 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 226 Number of blocks in projector: 300 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: 102 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 68 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 56 Use standard eigh solver. Tree of FC basis block matrices: - (226, 218), data: False |-- (56, 56), data: True |-- (68, 64), data: True |-- (102, 98), data: True ----- Solver_atoms: 1 -- 72 / 72 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 80 / 80 - Time: 0.087 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.091 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 216/216 Permutation basis: 2664/2664 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 226 Number of blocks in projector: 300 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: 102 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 68 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 56 Use standard eigh solver. Tree of FC basis block matrices: - (226, 218), data: False |-- (56, 56), data: True |-- (68, 64), data: True |-- (102, 98), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 19:56:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:56:37]------------------------- 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 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.920716046306401 1.108925926371832 5.864820226666660 b -1.920716046306398 1.108925926371832 5.864820226666660 c 0.000000000000002 -2.217851852743668 5.864820226666660 Atomic positions (fractional): 1 O 0.36280872532146 0.36280872532146 0.36280872532146 15.999 2 O 0.63719127467854 0.63719127467854 0.63719127467854 15.999 3 O 0.88779011585686 0.88779011585686 0.88779011585686 15.999 4 O 0.11220988414314 0.11220988414315 0.11220988414314 15.999 5 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 6 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.682864185225598 0.000000000000000 0.000000000000000 b -3.841432092612800 6.653555558231000 0.000000000000000 c 0.000000000000000 0.000000000000000 17.594460679999997 Atomic positions (fractional): 1 O 0.33333333333333 0.16666666666667 0.69614205865480 15.999 > 1 2 O 0.83333333333333 0.16666666666667 0.69614205865480 15.999 > 1 3 O 0.33333333333333 0.66666666666667 0.69614205865480 15.999 > 1 4 O 0.83333333333333 0.66666666666667 0.69614205865480 15.999 > 1 5 O 0.33333333333333 0.16666666666667 0.97052460801187 15.999 > 5 6 O 0.83333333333333 0.16666666666667 0.97052460801187 15.999 > 5 7 O 0.33333333333333 0.66666666666667 0.97052460801187 15.999 > 5 8 O 0.83333333333333 0.66666666666667 0.97052460801187 15.999 > 5 9 O 0.00000000000000 0.00000000000000 0.88779011585686 15.999 > 9 10 O 0.50000000000000 0.00000000000000 0.88779011585686 15.999 > 9 11 O 0.00000000000000 0.50000000000000 0.88779011585686 15.999 > 9 12 O 0.50000000000000 0.50000000000000 0.88779011585686 15.999 > 9 13 O 0.16666666666667 0.33333333333333 0.77887655080981 15.999 > 13 14 O 0.66666666666667 0.33333333333333 0.77887655080981 15.999 > 13 15 O 0.16666666666667 0.83333333333333 0.77887655080981 15.999 > 13 16 O 0.66666666666667 0.83333333333333 0.77887655080981 15.999 > 13 17 O 0.16666666666667 0.33333333333333 0.02947539198813 15.999 > 1 18 O 0.66666666666667 0.33333333333333 0.02947539198813 15.999 > 1 19 O 0.16666666666667 0.83333333333333 0.02947539198813 15.999 > 1 20 O 0.66666666666667 0.83333333333333 0.02947539198813 15.999 > 1 21 O 0.16666666666667 0.33333333333333 0.30385794134520 15.999 > 5 22 O 0.66666666666667 0.33333333333333 0.30385794134520 15.999 > 5 23 O 0.16666666666667 0.83333333333333 0.30385794134520 15.999 > 5 24 O 0.66666666666667 0.83333333333333 0.30385794134520 15.999 > 5 25 O 0.33333333333333 0.16666666666667 0.22112344919019 15.999 > 9 26 O 0.83333333333333 0.16666666666667 0.22112344919019 15.999 > 9 27 O 0.33333333333333 0.66666666666667 0.22112344919019 15.999 > 9 28 O 0.83333333333333 0.66666666666667 0.22112344919019 15.999 > 9 29 O 0.00000000000000 0.00000000000000 0.11220988414314 15.999 > 13 30 O 0.50000000000000 0.00000000000000 0.11220988414314 15.999 > 13 31 O 0.00000000000000 0.50000000000000 0.11220988414314 15.999 > 13 32 O 0.50000000000000 0.50000000000000 0.11220988414314 15.999 > 13 33 O 0.00000000000000 0.00000000000000 0.36280872532146 15.999 > 1 34 O 0.50000000000000 0.00000000000000 0.36280872532146 15.999 > 1 35 O 0.00000000000000 0.50000000000000 0.36280872532146 15.999 > 1 36 O 0.50000000000000 0.50000000000000 0.36280872532146 15.999 > 1 37 O 0.00000000000000 0.00000000000000 0.63719127467854 15.999 > 5 38 O 0.50000000000000 0.00000000000000 0.63719127467854 15.999 > 5 39 O 0.00000000000000 0.50000000000000 0.63719127467854 15.999 > 5 40 O 0.50000000000000 0.50000000000000 0.63719127467854 15.999 > 5 41 O 0.16666666666667 0.33333333333333 0.55445678252352 15.999 > 9 42 O 0.66666666666667 0.33333333333333 0.55445678252352 15.999 > 9 43 O 0.16666666666667 0.83333333333333 0.55445678252352 15.999 > 9 44 O 0.66666666666667 0.83333333333333 0.55445678252352 15.999 > 9 45 O 0.33333333333333 0.16666666666667 0.44554321747648 15.999 > 13 46 O 0.83333333333333 0.16666666666667 0.44554321747648 15.999 > 13 47 O 0.33333333333333 0.66666666666667 0.44554321747648 15.999 > 13 48 O 0.83333333333333 0.66666666666667 0.44554321747648 15.999 > 13 49 Ca 0.33333333333333 0.16666666666667 0.83333333333333 40.078 > 49 50 Ca 0.83333333333333 0.16666666666667 0.83333333333333 40.078 > 49 51 Ca 0.33333333333333 0.66666666666667 0.83333333333333 40.078 > 49 52 Ca 0.83333333333333 0.66666666666667 0.83333333333333 40.078 > 49 53 Ca 0.16666666666667 0.33333333333333 0.16666666666667 40.078 > 49 54 Ca 0.66666666666667 0.33333333333333 0.16666666666667 40.078 > 49 55 Ca 0.16666666666667 0.83333333333333 0.16666666666667 40.078 > 49 56 Ca 0.66666666666667 0.83333333333333 0.16666666666667 40.078 > 49 57 Ca 0.00000000000000 0.00000000000000 0.50000000000000 40.078 > 49 58 Ca 0.50000000000000 0.00000000000000 0.50000000000000 40.078 > 49 59 Ca 0.00000000000000 0.50000000000000 0.50000000000000 40.078 > 49 60 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 > 49 61 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 > 61 62 U 0.50000000000000 0.00000000000000 0.00000000000000 238.029 > 61 63 U 0.00000000000000 0.50000000000000 0.00000000000000 238.029 > 61 64 U 0.50000000000000 0.50000000000000 0.00000000000000 238.029 > 61 65 U 0.33333333333333 0.16666666666667 0.33333333333333 238.029 > 61 66 U 0.83333333333333 0.16666666666667 0.33333333333333 238.029 > 61 67 U 0.33333333333333 0.66666666666667 0.33333333333333 238.029 > 61 68 U 0.83333333333333 0.66666666666667 0.33333333333333 238.029 > 61 69 U 0.16666666666667 0.33333333333333 0.66666666666667 238.029 > 61 70 U 0.66666666666667 0.33333333333333 0.66666666666667 238.029 > 61 71 U 0.16666666666667 0.83333333333333 0.66666666666667 238.029 > 61 72 U 0.66666666666667 0.83333333333333 0.66666666666667 238.029 > 61 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.7659597 0.0000000 0.0000000 0.0000000 6.7659597 0.0000000 0.0000000 0.0000000 5.1855283 -------------------------- Born effective charges -------------------------- 1 O -3.4972892 0.0000000 0.0000000 0.0000000 -3.4972892 0.0000000 0.0000000 0.0000000 -0.9884659 2 O -3.4972892 0.0000000 0.0000000 0.0000000 -3.4972892 0.0000000 0.0000000 0.0000000 -0.9884659 3 O -1.3948530 -0.0000000 0.0000000 0.0000000 -1.3948530 0.0000000 0.0000000 0.0000000 -3.6693566 4 O -1.3948530 -0.0000000 0.0000000 0.0000000 -1.3948530 0.0000000 0.0000000 0.0000000 -3.6693566 5 Ca 2.2540776 0.0000000 0.0000000 0.0000000 2.2540776 0.0000000 0.0000000 0.0000000 3.5902347 6 U 7.5302069 0.0000000 0.0000000 0.0000000 7.5302069 0.0000000 0.0000000 0.0000000 5.7254102 ---------------------------------------------------------------------------- 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[ 9, 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[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 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: -0.00000005 (yyy) -0.00000005 (yyy) -0.00000005 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:56:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:56:41]------------------------- 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 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.920716046306401 1.108925926371832 5.864820226666660 b -1.920716046306398 1.108925926371832 5.864820226666660 c 0.000000000000002 -2.217851852743668 5.864820226666660 Atomic positions (fractional): 1 O 0.36280872532146 0.36280872532146 0.36280872532146 15.999 2 O 0.63719127467854 0.63719127467854 0.63719127467854 15.999 3 O 0.88779011585686 0.88779011585686 0.88779011585686 15.999 4 O 0.11220988414314 0.11220988414315 0.11220988414314 15.999 5 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 6 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.682864185225598 0.000000000000000 0.000000000000000 b -3.841432092612800 6.653555558231000 0.000000000000000 c 0.000000000000000 0.000000000000000 17.594460679999997 Atomic positions (fractional): 1 O 0.33333333333333 0.16666666666667 0.69614205865480 15.999 > 1 2 O 0.83333333333333 0.16666666666667 0.69614205865480 15.999 > 1 3 O 0.33333333333333 0.66666666666667 0.69614205865480 15.999 > 1 4 O 0.83333333333333 0.66666666666667 0.69614205865480 15.999 > 1 5 O 0.33333333333333 0.16666666666667 0.97052460801187 15.999 > 5 6 O 0.83333333333333 0.16666666666667 0.97052460801187 15.999 > 5 7 O 0.33333333333333 0.66666666666667 0.97052460801187 15.999 > 5 8 O 0.83333333333333 0.66666666666667 0.97052460801187 15.999 > 5 9 O 0.00000000000000 0.00000000000000 0.88779011585686 15.999 > 9 10 O 0.50000000000000 0.00000000000000 0.88779011585686 15.999 > 9 11 O 0.00000000000000 0.50000000000000 0.88779011585686 15.999 > 9 12 O 0.50000000000000 0.50000000000000 0.88779011585686 15.999 > 9 13 O 0.16666666666667 0.33333333333333 0.77887655080981 15.999 > 13 14 O 0.66666666666667 0.33333333333333 0.77887655080981 15.999 > 13 15 O 0.16666666666667 0.83333333333333 0.77887655080981 15.999 > 13 16 O 0.66666666666667 0.83333333333333 0.77887655080981 15.999 > 13 17 O 0.16666666666667 0.33333333333333 0.02947539198813 15.999 > 1 18 O 0.66666666666667 0.33333333333333 0.02947539198813 15.999 > 1 19 O 0.16666666666667 0.83333333333333 0.02947539198813 15.999 > 1 20 O 0.66666666666667 0.83333333333333 0.02947539198813 15.999 > 1 21 O 0.16666666666667 0.33333333333333 0.30385794134520 15.999 > 5 22 O 0.66666666666667 0.33333333333333 0.30385794134520 15.999 > 5 23 O 0.16666666666667 0.83333333333333 0.30385794134520 15.999 > 5 24 O 0.66666666666667 0.83333333333333 0.30385794134520 15.999 > 5 25 O 0.33333333333333 0.16666666666667 0.22112344919019 15.999 > 9 26 O 0.83333333333333 0.16666666666667 0.22112344919019 15.999 > 9 27 O 0.33333333333333 0.66666666666667 0.22112344919019 15.999 > 9 28 O 0.83333333333333 0.66666666666667 0.22112344919019 15.999 > 9 29 O 0.00000000000000 0.00000000000000 0.11220988414314 15.999 > 13 30 O 0.50000000000000 0.00000000000000 0.11220988414314 15.999 > 13 31 O 0.00000000000000 0.50000000000000 0.11220988414314 15.999 > 13 32 O 0.50000000000000 0.50000000000000 0.11220988414314 15.999 > 13 33 O 0.00000000000000 0.00000000000000 0.36280872532146 15.999 > 1 34 O 0.50000000000000 0.00000000000000 0.36280872532146 15.999 > 1 35 O 0.00000000000000 0.50000000000000 0.36280872532146 15.999 > 1 36 O 0.50000000000000 0.50000000000000 0.36280872532146 15.999 > 1 37 O 0.00000000000000 0.00000000000000 0.63719127467854 15.999 > 5 38 O 0.50000000000000 0.00000000000000 0.63719127467854 15.999 > 5 39 O 0.00000000000000 0.50000000000000 0.63719127467854 15.999 > 5 40 O 0.50000000000000 0.50000000000000 0.63719127467854 15.999 > 5 41 O 0.16666666666667 0.33333333333333 0.55445678252352 15.999 > 9 42 O 0.66666666666667 0.33333333333333 0.55445678252352 15.999 > 9 43 O 0.16666666666667 0.83333333333333 0.55445678252352 15.999 > 9 44 O 0.66666666666667 0.83333333333333 0.55445678252352 15.999 > 9 45 O 0.33333333333333 0.16666666666667 0.44554321747648 15.999 > 13 46 O 0.83333333333333 0.16666666666667 0.44554321747648 15.999 > 13 47 O 0.33333333333333 0.66666666666667 0.44554321747648 15.999 > 13 48 O 0.83333333333333 0.66666666666667 0.44554321747648 15.999 > 13 49 Ca 0.33333333333333 0.16666666666667 0.83333333333333 40.078 > 49 50 Ca 0.83333333333333 0.16666666666667 0.83333333333333 40.078 > 49 51 Ca 0.33333333333333 0.66666666666667 0.83333333333333 40.078 > 49 52 Ca 0.83333333333333 0.66666666666667 0.83333333333333 40.078 > 49 53 Ca 0.16666666666667 0.33333333333333 0.16666666666667 40.078 > 49 54 Ca 0.66666666666667 0.33333333333333 0.16666666666667 40.078 > 49 55 Ca 0.16666666666667 0.83333333333333 0.16666666666667 40.078 > 49 56 Ca 0.66666666666667 0.83333333333333 0.16666666666667 40.078 > 49 57 Ca 0.00000000000000 0.00000000000000 0.50000000000000 40.078 > 49 58 Ca 0.50000000000000 0.00000000000000 0.50000000000000 40.078 > 49 59 Ca 0.00000000000000 0.50000000000000 0.50000000000000 40.078 > 49 60 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 > 49 61 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 > 61 62 U 0.50000000000000 0.00000000000000 0.00000000000000 238.029 > 61 63 U 0.00000000000000 0.50000000000000 0.00000000000000 238.029 > 61 64 U 0.50000000000000 0.50000000000000 0.00000000000000 238.029 > 61 65 U 0.33333333333333 0.16666666666667 0.33333333333333 238.029 > 61 66 U 0.83333333333333 0.16666666666667 0.33333333333333 238.029 > 61 67 U 0.33333333333333 0.66666666666667 0.33333333333333 238.029 > 61 68 U 0.83333333333333 0.66666666666667 0.33333333333333 238.029 > 61 69 U 0.16666666666667 0.33333333333333 0.66666666666667 238.029 > 61 70 U 0.66666666666667 0.33333333333333 0.66666666666667 238.029 > 61 71 U 0.16666666666667 0.83333333333333 0.66666666666667 238.029 > 61 72 U 0.66666666666667 0.83333333333333 0.66666666666667 238.029 > 61 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.7659597 0.0000000 0.0000000 0.0000000 6.7659597 0.0000000 0.0000000 0.0000000 5.1855283 -------------------------- Born effective charges -------------------------- 1 O -3.4972892 0.0000000 0.0000000 0.0000000 -3.4972892 0.0000000 0.0000000 0.0000000 -0.9884659 2 O -3.4972892 0.0000000 0.0000000 0.0000000 -3.4972892 0.0000000 0.0000000 0.0000000 -0.9884659 3 O -1.3948530 -0.0000000 0.0000000 0.0000000 -1.3948530 0.0000000 0.0000000 0.0000000 -3.6693566 4 O -1.3948530 -0.0000000 0.0000000 0.0000000 -1.3948530 0.0000000 0.0000000 0.0000000 -3.6693566 5 Ca 2.2540776 0.0000000 0.0000000 0.0000000 2.2540776 0.0000000 0.0000000 0.0000000 3.5902347 6 U 7.5302069 0.0000000 0.0000000 0.0000000 7.5302069 0.0000000 0.0000000 0.0000000 5.7254102 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000005 (yyy) -0.00000005 (yyy) -0.00000005 (yyy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 15 15 15 ] 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: 0.98, Number of G-points: 299, Lambda: 0.26 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/344) ======================= 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 2.98e-04 1.16e-06 Number of triplets: 344 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 4.731 ( 0.000 0.000 0.000) 0.000 4.731 ( 0.000 0.000 0.000) 0.000 7.344 ( 0.000 0.000 0.000) 0.000 8.974 ( 0.000 0.000 0.000) 0.000 8.974 ( 0.000 0.000 0.000) 0.000 10.045 ( 0.000 0.000 0.000) 0.000 10.045 ( 0.000 0.000 0.000) 0.000 11.350 ( 0.000 0.000 0.000) 0.000 11.350 ( 0.000 0.000 0.000) 0.000 11.511 ( 0.000 0.000 0.000) 0.000 11.563 ( 0.000 0.000 0.000) 0.000 15.748 ( 0.000 0.000 0.000) 0.000 15.748 ( 0.000 0.000 0.000) 0.000 16.782 ( 0.000 0.000 0.000) 0.000 20.761 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/344) ======================= q-point: ( 0.07 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 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.668 ( 27.998 16.164 2.020) 32.392 0.681 ( 29.929 17.280 -3.802) 34.768 1.202 ( 48.329 27.903 16.993) 58.335 4.755 ( 2.228 1.287 -1.561) 3.009 4.850 ( 8.654 4.996 -0.575) 10.009 7.314 ( -4.662 -2.692 4.926) 7.298 8.943 ( -2.126 -1.227 -3.832) 4.551 9.608 ( -30.244 -17.461 -11.259) 36.693 9.962 ( -8.421 -4.862 10.471) 14.289 10.584 ( -17.649 -10.189 5.077) 21.002 11.386 ( 3.853 2.224 -6.336) 7.742 11.672 ( 11.110 6.414 -2.285) 13.030 11.816 ( 17.347 10.016 -0.732) 20.045 15.382 ( 0.784 0.452 -116.553) 116.556 15.768 ( 1.592 0.919 0.444) 1.891 16.085 ( 31.764 18.339 -125.021) 130.290 17.709 ( -36.969 -21.344 242.981) 246.703 20.732 ( -2.730 -1.576 1.314) 3.415 ======================= Grid point 2 (3/344) ======================= q-point: ( 0.13 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 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( 25.698 14.837 2.325) 29.764 1.353 ( 29.394 16.970 -4.101) 34.188 2.347 ( 44.988 25.974 15.358) 54.171 4.816 ( 3.658 2.112 -3.126) 5.255 5.127 ( 14.863 8.581 -0.564) 17.172 7.187 ( -6.620 -3.822 -1.621) 7.814 8.749 ( -37.684 -21.757 -13.304) 45.502 8.835 ( -5.977 -3.451 -5.733) 8.972 9.773 ( -11.135 -6.429 15.419) 20.076 10.127 ( -22.714 -13.114 6.109) 26.930 11.467 ( 5.353 3.090 -8.911) 10.844 11.878 ( 6.813 3.934 -3.671) 8.682 12.240 ( 18.473 10.666 -2.297) 21.454 14.937 ( -9.925 -5.730 -60.523) 61.598 15.820 ( 2.596 1.499 0.759) 3.092 16.296 ( 17.025 9.829 -62.033) 65.073 17.795 ( -16.033 -9.257 124.953) 126.317 20.649 ( -4.840 -2.794 1.902) 5.903 ======================= Grid point 3 (4/344) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( 22.268 12.856 2.783) 25.863 2.006 ( 28.313 16.347 -4.354) 32.982 3.383 ( 39.616 22.872 12.852) 47.515 4.890 ( 3.751 2.165 -4.628) 6.338 5.506 ( 17.476 10.090 -0.430) 20.185 7.004 ( -7.926 -4.576 -5.187) 10.520 7.846 ( -34.916 -20.159 -10.319) 41.617 8.615 ( -11.342 -6.548 -3.296) 13.505 9.601 ( -7.985 -4.610 13.281) 16.168 9.602 ( -24.542 -14.169 6.417) 29.056 11.557 ( 5.179 2.990 -8.526) 10.415 11.946 ( 0.969 0.560 -7.982) 8.060 12.625 ( 15.325 8.848 -3.049) 17.957 14.478 ( -13.335 -7.699 -37.229) 40.288 15.888 ( 2.818 1.627 0.886) 3.372 16.400 ( 9.226 5.327 -43.812) 45.089 17.907 ( -8.805 -5.083 85.364) 85.968 20.529 ( -5.853 -3.379 1.494) 6.922 ======================= Grid point 4 (5/344) ======================= q-point: ( 0.27 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 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.346 ( 18.167 10.489 3.236) 21.225 2.624 ( 26.368 15.224 -4.401) 30.764 4.264 ( 32.495 18.761 9.790) 38.779 4.944 ( 2.414 1.394 -5.796) 6.432 5.901 ( 16.068 9.277 -0.403) 18.558 6.781 ( -9.245 -5.338 -8.521) 13.659 7.131 ( -23.316 -13.462 -1.241) 26.952 8.310 ( -13.955 -8.057 1.133) 16.153 9.048 ( -25.143 -14.516 5.772) 29.600 9.506 ( -3.917 -2.262 7.838) 9.049 11.638 ( 4.303 2.484 -6.799) 8.421 11.872 ( -3.785 -2.185 -11.487) 12.291 12.909 ( 10.119 5.842 -5.727) 13.013 14.061 ( -12.448 -7.187 -21.097) 25.528 15.953 ( 2.443 1.410 0.837) 2.942 16.394 ( 3.120 1.801 -33.204) 33.398 18.033 ( -4.498 -2.597 62.076) 62.293 20.397 ( -5.700 -3.291 0.420) 6.595 ======================= Grid point 5 (6/344) ======================= 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 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.728 ( 13.722 7.922 3.374) 16.200 3.182 ( 22.951 13.251 -4.089) 26.815 4.951 ( 24.124 13.928 6.678) 28.645 4.952 ( 0.248 0.143 -6.071) 6.078 6.197 ( 7.811 4.510 -0.390) 9.028 6.566 ( -3.280 -1.894 -6.146) 7.219 6.776 ( -9.910 -5.721 5.705) 12.786 8.011 ( -12.131 -7.004 3.667) 14.480 8.489 ( -24.470 -14.128 3.382) 28.457 9.467 ( -1.544 -0.892 3.512) 3.938 11.703 ( 3.157 1.823 -4.690) 5.941 11.706 ( -6.112 -3.529 -12.241) 14.129 13.010 ( 0.611 0.353 -11.308) 11.330 13.793 ( -5.180 -2.991 -6.318) 8.700 16.005 ( 1.776 1.026 0.660) 2.155 16.309 ( -0.788 -0.455 -23.542) 23.559 18.164 ( -1.544 -0.892 43.108) 43.145 20.275 ( -4.680 -2.702 -0.636) 5.442 ======================= Grid point 6 (7/344) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.003 ( 8.850 5.110 2.766) 10.587 3.635 ( 16.809 9.705 -3.130) 19.660 4.916 ( -1.295 -0.747 -4.814) 5.041 5.428 ( 15.297 8.832 4.098) 18.133 6.263 ( 0.700 0.404 2.104) 2.254 6.568 ( -0.323 -0.187 -7.590) 7.599 6.709 ( 3.398 1.962 12.416) 13.022 7.793 ( -7.667 -4.426 3.526) 9.529 7.953 ( -21.845 -12.612 -1.228) 25.254 9.454 ( -0.491 -0.284 1.145) 1.278 11.526 ( -5.319 -3.071 -9.249) 11.103 11.748 ( 1.913 1.105 -2.667) 3.463 12.886 ( -5.627 -3.249 -10.941) 12.725 13.756 ( 1.228 0.709 0.533) 1.515 16.039 ( 1.045 0.604 0.414) 1.276 16.201 ( -1.908 -1.102 -14.034) 14.206 18.279 ( -0.059 -0.034 25.613) 25.613 20.181 ( -3.089 -1.784 -1.024) 3.711 ======================= Grid point 7 (8/344) ======================= q-point: ( 0.47 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 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.151 ( 3.139 1.812 1.114) 3.792 3.904 ( 6.455 3.727 -1.226) 7.554 4.874 ( -0.844 -0.487 -1.870) 2.109 5.684 ( 5.533 3.194 1.540) 6.571 6.285 ( 0.275 0.159 0.894) 0.948 6.535 ( -0.185 -0.107 -1.416) 1.432 6.895 ( 6.759 3.903 7.905) 11.109 7.510 ( -13.302 -7.680 -4.639) 16.045 7.685 ( -2.542 -1.468 1.410) 3.257 9.450 ( -0.100 -0.058 0.208) 0.238 11.413 ( -2.044 -1.180 -3.381) 4.123 11.771 ( 0.640 0.369 -0.855) 1.130 12.747 ( -2.817 -1.626 -4.105) 5.237 13.792 ( 0.984 0.568 0.576) 1.275 16.056 ( 0.342 0.197 0.140) 0.419 16.130 ( -0.894 -0.516 -4.665) 4.777 18.346 ( 0.151 0.087 8.535) 8.536 20.129 ( -1.088 -0.628 -0.492) 1.349 ======================= Grid point 16 (9/344) ======================= q-point: ( 0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( 0.000 30.651 15.203) 34.214 0.794 ( 0.000 34.307 11.627) 36.224 1.172 ( 0.000 52.122 14.452) 54.089 4.760 ( -0.000 3.115 -0.559) 3.165 4.836 ( -0.000 9.732 -2.949) 10.169 7.364 ( 0.000 -8.334 12.479) 15.006 8.988 ( 0.000 -0.697 4.011) 4.071 9.715 ( 0.000 -31.520 7.072) 32.304 9.822 ( -0.000 -14.077 -13.815) 19.724 10.519 ( -0.000 -20.219 -6.203) 21.149 11.472 ( 0.000 6.619 8.518) 10.787 11.632 ( -0.000 13.675 -7.937) 15.811 11.850 ( 0.000 19.828 4.084) 20.244 14.802 ( -0.000 67.444 -211.046) 221.561 15.762 ( -0.000 1.606 -0.607) 1.717 15.766 ( -0.000 4.367 -8.855) 9.873 18.568 ( 0.000 -78.396 213.858) 227.775 20.740 ( 0.000 -3.292 3.149) 4.555 ======================= Grid point 17 (10/344) ======================= q-point: ( 0.13 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( 9.280 25.380 11.928) 29.539 1.362 ( 12.830 34.736 2.347) 37.104 2.047 ( 31.232 39.841 16.547) 53.259 4.803 ( 0.985 4.856 -2.083) 5.375 5.019 ( 8.586 12.548 -2.621) 15.429 7.256 ( -6.358 -5.926 3.658) 9.430 8.815 ( -16.006 -16.813 -3.797) 23.522 9.172 ( -20.671 -9.683 -4.773) 23.320 9.656 ( 0.943 -27.931 6.466) 28.685 10.353 ( 0.311 -17.299 -3.228) 17.601 11.328 ( -10.136 1.303 2.298) 10.475 11.910 ( 7.578 13.311 -6.769) 16.746 12.127 ( 7.826 18.690 1.146) 20.294 14.741 ( 3.618 19.417 -108.129) 109.918 15.763 ( 2.698 -1.194 1.141) 3.164 15.930 ( 13.091 7.800 -26.014) 30.149 18.413 ( -17.522 -33.192 129.091) 134.436 20.689 ( -2.748 -4.539 3.727) 6.484 ======================= Grid point 18 (11/344) ======================= q-point: ( 0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( 19.249 19.139 6.819) 27.988 1.931 ( 13.846 31.651 -0.385) 34.549 3.043 ( 34.769 30.489 14.003) 48.317 4.871 ( 1.587 6.071 -3.650) 7.259 5.341 ( 13.894 13.149 -1.939) 19.228 7.071 ( -8.267 -6.134 -1.562) 10.412 8.096 ( -27.987 -29.255 -8.645) 41.399 8.870 ( -17.828 6.541 -3.864) 19.379 9.378 ( -0.557 -32.753 10.634) 34.441 10.099 ( -15.475 -5.641 3.488) 16.836 11.257 ( 6.629 -9.714 -4.193) 12.486 12.036 ( -2.149 9.704 -8.655) 13.179 12.478 ( 12.283 14.189 -1.919) 18.865 14.502 ( -7.971 6.844 -59.105) 60.032 15.820 ( 4.738 -1.965 1.186) 5.264 16.108 ( 11.884 4.497 -30.820) 33.337 18.332 ( -11.855 -15.761 89.302) 91.454 20.587 ( -4.684 -5.200 3.063) 7.640 ======================= Grid point 19 (12/344) ======================= q-point: ( 0.27 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.154 ( 19.636 16.106 4.747) 25.836 2.471 ( 14.971 27.085 -2.022) 31.013 3.941 ( 32.096 22.826 9.890) 40.608 4.941 ( 0.624 6.770 -4.736) 8.285 5.721 ( 15.600 11.507 -1.304) 19.429 6.836 ( -9.209 -8.148 -5.338) 13.405 7.358 ( -23.007 -20.739 -2.012) 31.039 8.579 ( -19.680 2.409 -0.185) 19.828 9.059 ( -4.899 -29.042 4.796) 29.841 9.793 ( -17.116 -0.159 7.716) 18.775 11.293 ( 13.611 -15.561 -7.036) 21.838 11.989 ( -7.011 5.113 -10.753) 13.818 12.786 ( 10.023 9.648 -4.727) 14.693 14.203 ( -12.752 6.580 -34.044) 36.944 15.885 ( 4.833 -2.524 -0.044) 5.452 16.191 ( 7.329 1.404 -28.222) 29.192 18.339 ( -7.791 -9.038 67.336) 68.385 20.454 ( -5.336 -5.178 1.505) 7.586 ======================= Grid point 20 (13/344) ======================= q-point: ( 0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.627 ( 14.308 15.249 4.213) 21.331 2.980 ( 16.904 21.231 -3.388) 27.349 4.672 ( 26.415 15.052 4.872) 30.791 4.987 ( -1.400 7.550 -4.695) 9.000 6.068 ( 12.523 7.263 -0.794) 14.498 6.571 ( -6.488 -8.865 -4.896) 12.028 6.918 ( -12.171 -9.392 6.708) 16.773 8.265 ( -18.250 1.088 2.786) 18.493 8.641 ( -13.841 -23.584 0.619) 27.353 9.590 ( -9.403 -0.080 6.282) 11.309 11.345 ( 14.793 -18.276 -7.637) 24.722 11.836 ( -8.823 1.104 -10.629) 13.858 12.956 ( 3.763 4.464 -9.133) 10.840 13.976 ( -11.800 11.397 -15.756) 22.746 15.929 ( 4.543 -4.302 -2.659) 6.798 16.191 ( 3.222 0.350 -22.124) 22.360 18.379 ( -5.290 -5.523 50.731) 51.304 20.319 ( -4.730 -4.568 -0.177) 6.578 ======================= Grid point 21 (14/344) ======================= q-point: ( 0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.980 ( 7.499 14.477 3.472) 16.669 3.442 ( 16.507 14.751 -3.782) 22.458 4.968 ( -2.596 5.739 -4.526) 7.756 5.230 ( 18.345 10.174 1.070) 21.005 6.231 ( 3.193 -1.458 2.366) 4.233 6.508 ( 4.296 0.667 -3.497) 5.579 6.749 ( -3.545 -4.196 12.738) 13.872 8.006 ( -15.476 4.143 1.085) 16.058 8.137 ( -17.814 -19.971 -1.033) 26.781 9.492 ( -3.639 -1.458 3.592) 5.317 11.376 ( 13.627 -18.832 -7.869) 24.541 11.652 ( -6.730 -2.725 -6.978) 10.070 12.942 ( -3.566 2.324 -10.565) 11.390 13.912 ( -7.823 15.889 -4.062) 18.170 15.932 ( 4.650 -7.321 -6.289) 10.713 16.164 ( 0.882 1.557 -13.307) 13.426 18.418 ( -4.029 -3.502 35.161) 35.564 20.205 ( -3.246 -3.570 -1.130) 4.955 ======================= Grid point 22 (15/344) ======================= q-point: ( 0.47 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.199 ( 0.847 12.463 1.908) 12.636 3.790 ( 11.242 7.519 -3.034) 13.861 4.948 ( -4.524 6.546 -1.976) 8.199 5.560 ( 11.656 3.555 -3.264) 12.616 6.269 ( 2.067 -1.515 3.922) 4.685 6.537 ( -0.390 -0.261 1.252) 1.337 6.833 ( 7.145 0.884 12.083) 14.066 7.623 ( -16.598 -14.130 -7.289) 22.984 7.848 ( -10.653 5.893 0.741) 12.197 9.450 ( -0.608 -2.323 2.908) 3.771 11.387 ( 10.731 -14.744 -7.593) 19.753 11.518 ( -0.122 -8.647 -0.904) 8.695 12.859 ( -5.390 5.106 -5.394) 9.177 13.945 ( -7.222 16.551 -0.646) 18.069 15.911 ( 5.658 -8.996 -6.173) 12.290 16.156 ( 0.129 2.594 -6.938) 7.409 18.424 ( -3.980 -2.589 19.482) 20.052 20.131 ( -1.243 -2.347 -0.933) 2.815 ======================= Grid point 23 (16/344) ======================= q-point: (-0.47 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.267 ( -5.948 9.170 -0.232) 10.933 3.931 ( 1.073 -0.112 -1.243) 1.646 4.946 ( -3.490 7.494 1.554) 8.411 5.669 ( 2.115 -2.430 -6.443) 7.204 6.283 ( -0.348 -1.627 2.112) 2.688 6.540 ( 0.026 -1.048 5.407) 5.508 6.924 ( -3.659 -4.804 -2.544) 6.553 7.372 ( 5.624 -1.058 1.588) 5.938 7.774 ( -5.935 9.195 -4.074) 11.678 9.443 ( 0.600 -1.899 3.681) 4.185 11.418 ( 9.881 -9.057 -4.386) 14.103 11.465 ( 5.783 -13.371 3.588) 15.004 12.846 ( -2.647 8.089 2.047) 8.754 13.965 ( -9.158 15.857 -0.594) 18.321 15.916 ( 6.963 -8.653 -1.751) 11.244 16.166 ( 0.477 2.586 -3.977) 4.768 18.369 ( -4.709 -2.395 3.795) 6.505 20.110 ( 0.946 -1.071 0.008) 1.429 ======================= Grid point 24 (17/344) ======================= q-point: (-0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.177 ( -12.051 5.155 -1.926) 13.248 3.814 ( -10.815 -5.474 0.972) 12.160 4.986 ( -2.353 7.572 4.604) 9.169 5.536 ( -8.635 -7.313 -7.095) 13.356 6.243 ( -0.745 -3.675 -0.649) 3.806 6.566 ( 1.999 0.261 4.548) 4.975 6.718 ( -6.305 -7.186 -6.631) 11.634 7.686 ( 19.595 7.251 3.432) 21.174 7.798 ( -0.283 11.375 -7.747) 13.766 9.457 ( 0.493 -0.248 3.828) 3.868 11.455 ( 12.726 -23.404 3.683) 26.894 11.535 ( 6.464 3.776 2.941) 8.043 12.940 ( 1.188 7.942 8.448) 11.656 13.946 ( -10.601 15.956 -0.507) 19.163 15.956 ( 5.798 -7.049 2.320) 9.417 16.205 ( 3.017 1.542 -0.100) 3.389 18.242 ( -5.390 -2.359 -11.455) 12.878 20.141 ( 2.961 0.057 0.753) 3.056 ======================= Grid point 25 (18/344) ======================= q-point: (-0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.946 ( -16.826 0.661 -2.486) 17.022 3.481 ( -20.276 -6.886 2.715) 21.585 5.027 ( -3.589 4.377 5.596) 7.959 5.182 ( -18.275 -9.513 -6.668) 21.655 6.218 ( 1.123 -2.953 0.166) 3.164 6.542 ( -2.351 -6.498 -2.207) 7.254 6.665 ( 6.354 2.687 2.391) 7.302 7.925 ( 7.906 9.847 -11.418) 17.024 8.161 ( 21.792 11.069 1.712) 24.502 9.482 ( 0.170 2.335 1.732) 2.912 11.449 ( 11.146 -22.658 4.926) 25.727 11.731 ( 7.667 5.795 6.985) 11.880 13.064 ( 0.737 2.927 10.292) 10.726 13.955 ( -7.355 18.895 3.358) 20.552 15.972 ( 2.012 -5.116 1.870) 5.807 16.311 ( 6.476 -0.724 8.957) 11.076 18.053 ( -5.289 -2.006 -26.512) 27.109 20.215 ( 4.598 0.924 0.758) 4.751 ======================= Grid point 26 (19/344) ======================= q-point: (-0.27 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.591 ( -20.728 -4.732 -2.055) 21.360 3.022 ( -26.653 -4.589 3.694) 27.296 4.597 ( -28.494 -14.686 -7.668) 32.960 5.045 ( -5.194 4.099 5.448) 8.571 6.073 ( -12.421 -6.968 -0.449) 14.249 6.639 ( 14.382 -0.073 6.858) 15.934 6.881 ( 15.080 6.231 0.528) 16.325 8.180 ( 14.040 11.209 -11.143) 21.141 8.652 ( 22.420 7.110 1.708) 23.582 9.535 ( 1.409 7.369 -3.165) 8.143 11.422 ( 9.359 -22.473 5.855) 25.038 11.941 ( 4.996 7.111 7.988) 11.804 13.042 ( -7.203 -2.829 5.926) 9.747 14.144 ( 2.357 21.389 13.166) 25.227 15.941 ( -0.195 -4.722 0.168) 4.729 16.461 ( 5.764 -3.099 20.909) 21.909 17.824 ( -4.043 -1.107 -42.661) 42.866 20.320 ( 5.804 1.491 0.185) 5.995 ======================= Grid point 27 (20/344) ======================= q-point: (-0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( -24.162 -9.595 -1.045) 26.018 2.508 ( -31.235 -0.458 4.005) 31.494 3.831 ( -38.220 -15.526 -8.664) 42.153 4.992 ( -6.195 1.665 4.115) 7.621 5.728 ( -17.522 -7.146 -0.485) 18.929 6.897 ( 10.752 1.224 5.569) 12.171 7.408 ( 33.820 9.416 6.438) 35.691 8.536 ( 15.590 14.132 -7.169) 22.229 9.044 ( 19.889 -5.706 1.918) 20.780 9.699 ( 7.056 17.331 -8.564) 20.579 11.370 ( 7.551 -21.484 6.491) 23.679 12.083 ( -0.424 7.061 6.072) 9.322 12.826 ( -14.142 -4.885 2.480) 15.166 14.529 ( 9.605 19.487 21.740) 30.735 15.878 ( -0.887 -5.311 -1.091) 5.494 16.587 ( 0.993 -5.691 36.444) 36.899 17.571 ( -1.885 0.286 -61.861) 61.890 20.443 ( 6.436 1.636 -0.457) 6.657 ======================= Grid point 28 (21/344) ======================= q-point: (-0.13 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( -27.127 -9.678 -0.166) 28.802 1.958 ( -34.832 2.028 3.618) 35.078 2.914 ( -46.746 -12.678 -7.696) 49.043 4.904 ( -6.064 0.266 2.142) 6.437 5.352 ( -18.129 -4.513 -0.188) 18.683 7.092 ( 8.611 1.317 2.315) 9.013 8.190 ( 41.235 5.984 7.346) 42.310 8.905 ( 7.868 17.526 2.253) 19.342 9.280 ( 23.317 -14.263 -6.187) 28.025 10.041 ( 12.873 17.935 -6.527) 23.021 11.313 ( 5.737 -16.486 5.452) 18.288 12.098 ( -7.384 5.592 2.769) 9.667 12.496 ( -18.585 -4.793 1.185) 19.229 14.996 ( 13.628 14.284 23.735) 30.872 15.803 ( -0.712 -5.253 -1.847) 5.614 16.665 ( -4.947 -7.221 61.945) 62.560 17.285 ( -0.659 1.807 -86.273) 86.294 20.567 ( 6.205 1.154 -0.621) 6.342 ======================= Grid point 29 (22/344) ======================= q-point: (-0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( -29.092 -0.000 0.000) 29.092 1.355 ( -37.380 -0.000 0.000) 37.380 1.945 ( -53.381 -0.000 0.000) 53.381 4.814 ( -4.627 -0.000 0.000) 4.627 5.035 ( -15.040 -0.000 0.000) 15.040 7.234 ( 6.198 0.000 -0.000) 6.198 8.837 ( 19.776 0.000 -0.000) 19.776 9.205 ( 22.557 0.000 -0.000) 22.557 9.614 ( 24.014 0.000 -0.000) 24.014 10.372 ( 14.586 0.000 -0.000) 14.586 11.314 ( 3.820 0.000 -0.000) 3.820 11.946 ( -14.388 -0.000 0.000) 14.388 12.120 ( -21.016 -0.000 0.000) 21.016 15.399 ( 15.580 0.000 -0.000) 15.580 15.755 ( -0.401 -0.000 0.000) 0.401 16.798 ( -2.122 -0.000 0.000) 2.122 16.919 ( -7.651 -0.000 0.000) 7.651 20.670 ( 4.923 0.000 -0.000) 4.923 ======================= Grid point 32 (23/344) ======================= q-point: ( 0.13 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( 0.000 27.133 13.394) 30.259 1.536 ( 0.000 31.685 8.890) 32.909 2.288 ( 0.000 48.778 11.987) 50.229 4.844 ( -0.000 5.682 -0.824) 5.741 5.076 ( -0.000 16.431 -4.570) 17.055 7.271 ( 0.000 -6.876 4.486) 8.210 8.910 ( -0.000 -13.417 -0.930) 13.450 9.032 ( 0.000 -41.068 10.370) 42.357 9.462 ( -0.000 -6.389 -9.227) 11.223 9.992 ( -0.000 -27.167 -5.054) 27.634 11.661 ( 0.000 4.953 7.396) 8.902 11.847 ( -0.000 12.039 -6.141) 13.515 12.285 ( 0.000 20.155 1.447) 20.207 14.486 ( -0.000 21.530 -104.881) 107.068 15.755 ( -0.000 1.257 -10.623) 10.697 15.802 ( -0.000 2.886 -0.726) 2.976 18.639 ( 0.000 -34.990 104.499) 110.202 20.678 ( 0.000 -6.010 5.036) 7.841 ======================= Grid point 33 (24/344) ======================= q-point: ( 0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( 1.461 25.805 11.182) 28.162 2.036 ( 12.097 29.651 4.166) 32.294 2.968 ( 18.251 40.347 10.898) 45.604 4.911 ( 0.841 7.238 -1.656) 7.472 5.294 ( 7.059 16.965 -3.942) 18.794 7.155 ( -7.100 -5.907 2.219) 9.499 8.236 ( -26.581 -31.343 -3.833) 41.275 8.977 ( 10.362 -28.841 5.865) 31.202 9.263 ( -15.700 -1.125 3.320) 16.087 9.855 ( 13.892 -25.219 -9.056) 30.183 11.439 ( -21.954 4.346 5.050) 22.943 12.052 ( 5.635 6.843 -8.045) 11.971 12.507 ( 3.379 17.877 -0.184) 18.195 14.364 ( 4.531 10.814 -74.420) 75.338 15.726 ( 2.280 -2.735 -3.543) 5.023 15.899 ( 6.884 3.463 -10.440) 12.976 18.626 ( -6.607 -22.392 80.402) 83.723 20.607 ( -2.735 -6.740 4.633) 8.624 ======================= Grid point 34 (25/344) ======================= q-point: ( 0.27 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.101 ( 10.924 22.772 7.512) 26.350 2.539 ( 11.206 27.943 0.972) 30.122 3.730 ( 24.046 28.888 7.452) 38.318 5.001 ( 0.775 9.138 -2.661) 9.549 5.606 ( 11.248 14.674 -2.274) 18.628 6.929 ( -11.826 -7.283 -0.856) 13.915 7.507 ( -21.348 -24.388 -1.244) 32.435 8.768 ( -0.292 -33.985 9.867) 35.390 9.018 ( -17.278 8.003 -0.021) 19.042 9.792 ( 7.996 -21.594 -6.892) 24.036 11.148 ( -12.969 -2.014 1.879) 13.258 12.079 ( -3.114 2.725 -10.507) 11.292 12.746 ( 5.739 13.565 -2.977) 15.027 14.261 ( -0.794 9.093 -48.739) 49.587 15.744 ( 5.497 -5.675 -3.325) 8.572 16.000 ( 6.435 1.932 -13.116) 14.736 18.601 ( -6.650 -13.992 63.698) 65.555 20.489 ( -4.499 -6.717 2.879) 8.582 ======================= Grid point 35 (26/344) ======================= q-point: ( 0.33 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.566 ( 14.134 20.228 4.863) 25.151 2.989 ( 10.048 24.895 -0.743) 26.857 4.403 ( 23.738 17.848 1.984) 29.766 5.094 ( -0.802 11.306 -2.710) 11.654 5.934 ( 11.776 10.302 -0.610) 15.658 6.609 ( -11.329 -10.837 -1.487) 15.748 7.053 ( -12.359 -11.313 6.398) 17.935 8.442 ( -4.888 -28.200 12.270) 31.140 8.764 ( -20.514 7.600 -6.478) 22.815 9.652 ( 0.535 -16.063 -1.568) 16.148 10.977 ( 0.900 -11.637 -3.201) 12.103 11.953 ( -7.908 0.445 -10.149) 12.874 12.920 ( 3.355 7.890 -6.886) 10.997 14.177 ( -4.048 13.349 -28.706) 31.916 15.758 ( 5.648 -7.730 -6.478) 11.559 16.060 ( 4.503 0.536 -10.846) 11.756 18.595 ( -5.689 -9.331 50.650) 51.816 20.349 ( -4.782 -6.032 0.652) 7.726 ======================= Grid point 36 (27/344) ======================= q-point: ( 0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.005 ( 11.382 18.820 3.490) 22.269 3.378 ( 9.424 19.924 -1.988) 22.129 4.896 ( 17.433 7.385 -4.456) 19.450 5.191 ( -0.607 13.999 -0.893) 14.041 6.158 ( 5.144 1.186 1.338) 5.445 6.442 ( 1.821 -1.838 3.604) 4.436 6.837 ( -7.283 -5.965 10.656) 14.219 8.127 ( -6.930 -23.474 6.507) 25.326 8.424 ( -23.631 8.826 -5.338) 25.784 9.511 ( -0.671 -10.582 0.519) 10.616 10.891 ( 9.549 -21.100 -6.578) 24.077 11.768 ( -9.255 0.608 -7.619) 12.003 12.966 ( -0.697 3.785 -8.978) 9.768 14.186 ( -4.405 18.663 -13.794) 23.622 15.732 ( 4.766 -9.279 -9.024) 13.793 16.092 ( 3.212 -0.305 -7.574) 8.232 18.591 ( -5.264 -6.543 38.271) 39.181 20.217 ( -3.702 -4.898 -0.989) 6.218 ======================= Grid point 37 (28/344) ======================= q-point: ( 0.47 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.340 ( 3.810 18.476 2.443) 19.022 3.690 ( 8.615 12.075 -2.702) 15.078 5.085 ( 0.559 7.154 -3.963) 8.197 5.384 ( 8.743 7.931 -3.804) 12.402 6.217 ( 3.449 -1.971 5.415) 6.716 6.546 ( 2.158 2.634 3.322) 4.757 6.780 ( 2.407 -3.403 14.466) 15.054 7.733 ( -14.905 -16.678 -5.643) 23.068 8.152 ( -16.371 8.864 -0.281) 18.619 9.429 ( 0.562 -6.525 2.079) 6.871 10.825 ( 14.800 -28.934 -6.933) 33.231 11.613 ( -7.561 3.081 -4.094) 9.134 12.939 ( -2.100 3.267 -6.002) 7.149 14.268 ( -6.072 21.681 -5.669) 23.218 15.685 ( 5.361 -9.991 -8.495) 14.168 16.111 ( 2.733 -1.121 -5.915) 6.611 18.561 ( -5.834 -4.905 25.406) 26.524 20.122 ( -1.755 -3.555 -1.315) 4.177 ======================= Grid point 38 (29/344) ======================= q-point: ( 0.53 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.511 ( -5.593 17.033 0.762) 17.944 3.879 ( 4.814 3.424 -2.332) 6.351 5.124 ( -3.993 9.915 0.418) 10.697 5.540 ( 6.074 0.552 -7.884) 9.968 6.271 ( 1.390 -1.942 4.994) 5.535 6.563 ( -1.369 -0.903 7.115) 7.302 6.896 ( 2.889 -3.507 5.659) 7.257 7.347 ( -7.246 -5.671 -4.800) 10.379 8.005 ( -10.901 9.896 -4.175) 15.304 9.414 ( 1.748 -3.639 5.326) 6.683 10.790 ( 19.619 -32.368 -4.545) 38.122 11.544 ( -4.199 5.506 -0.920) 6.985 12.939 ( -0.588 4.304 -0.214) 4.349 14.341 ( -9.821 22.649 -2.175) 24.782 15.674 ( 8.034 -9.555 -4.926) 13.421 16.120 ( 2.731 -2.039 -5.884) 6.799 18.475 ( -7.256 -4.030 12.393) 14.916 20.078 ( 0.489 -2.221 -0.543) 2.338 ======================= Grid point 39 (30/344) ======================= q-point: (-0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.490 ( -13.670 12.484 -0.927) 18.536 3.898 ( -3.138 -1.585 -0.978) 3.649 5.163 ( -4.224 10.199 3.726) 11.651 5.532 ( -1.880 -3.608 -8.472) 9.399 6.236 ( -3.039 -4.453 2.035) 5.762 6.559 ( -0.296 -1.851 5.131) 5.463 6.726 ( -6.901 -8.865 -5.829) 12.657 7.469 ( 13.379 4.979 3.988) 14.822 7.952 ( -5.225 14.153 -7.952) 17.054 9.442 ( 2.023 -2.637 7.019) 7.766 10.832 ( 22.489 -30.345 -0.836) 37.780 11.571 ( 0.137 6.482 1.895) 6.755 13.005 ( 1.726 4.514 4.952) 6.919 14.362 ( -13.032 22.529 -0.335) 26.029 15.740 ( 10.290 -8.004 0.844) 13.064 16.124 ( 3.670 -3.041 -7.008) 8.475 18.321 ( -8.944 -3.450 0.416) 9.596 20.089 ( 2.549 -1.089 0.330) 2.792 ======================= Grid point 40 (31/344) ======================= q-point: (-0.33 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.290 ( -19.130 6.026 -1.580) 20.118 3.737 ( -12.985 -1.789 0.690) 13.126 5.180 ( -5.791 3.237 3.472) 7.488 5.350 ( -11.107 -1.171 -5.249) 12.340 6.153 ( 0.395 -3.976 0.165) 3.999 6.494 ( -2.650 -6.891 -8.963) 11.612 6.625 ( 2.025 -1.829 8.435) 8.866 7.719 ( 11.957 -1.127 -6.930) 13.866 8.130 ( 6.779 23.831 -1.222) 24.806 9.473 ( 2.430 -3.530 4.790) 6.427 10.931 ( 19.894 -25.412 2.151) 32.344 11.695 ( 5.425 6.178 4.223) 9.243 13.103 ( 1.946 2.501 6.927) 7.618 14.363 ( -12.318 22.616 2.597) 25.883 15.847 ( 7.536 -6.444 5.926) 11.551 16.153 ( 7.976 -4.068 -7.213) 11.498 18.103 ( -10.381 -2.730 -9.596) 14.398 20.144 ( 4.220 -0.249 0.610) 4.271 ======================= Grid point 41 (32/344) ======================= q-point: (-0.27 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.947 ( -23.012 0.091 -1.240) 23.045 3.434 ( -21.150 0.368 1.809) 21.230 4.884 ( -21.026 -9.749 -4.564) 23.621 5.239 ( -8.228 7.086 3.708) 11.474 6.162 ( -2.472 -2.644 0.466) 3.650 6.395 ( 8.201 -5.641 -1.761) 10.108 6.738 ( 8.004 1.807 3.581) 8.953 7.892 ( 15.729 -1.215 -11.413) 19.471 8.553 ( 11.225 22.710 4.067) 25.657 9.503 ( 4.811 -3.296 -0.312) 5.840 11.009 ( 14.033 -20.225 3.435) 24.855 11.896 ( 8.508 4.880 4.760) 10.902 13.135 ( -2.875 -0.647 4.784) 5.619 14.444 ( -5.514 21.726 7.430) 23.614 15.878 ( 1.497 -6.119 3.088) 7.015 16.287 ( 13.269 -4.394 0.373) 13.982 17.840 ( -11.410 -1.660 -17.053) 20.585 20.231 ( 5.517 0.292 0.360) 5.537 ======================= Grid point 42 (33/344) ======================= q-point: (-0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.500 ( -26.064 -2.620 -0.538) 26.201 3.035 ( -26.686 1.535 1.813) 26.791 4.311 ( -32.394 -7.359 -3.728) 33.428 5.157 ( -8.342 2.828 2.421) 9.135 5.951 ( -14.212 -3.646 -0.695) 14.688 6.667 ( 18.795 -0.706 3.145) 19.069 6.998 ( 20.263 3.277 1.680) 20.595 8.188 ( 23.330 0.346 -8.313) 24.769 8.912 ( 6.268 10.695 5.951) 13.751 9.617 ( 11.155 2.500 -4.578) 12.314 11.050 ( 9.477 -13.561 3.133) 16.838 12.090 ( 6.644 3.006 2.983) 7.879 13.018 ( -10.240 -1.700 1.669) 10.514 14.656 ( 3.970 15.196 9.250) 18.227 15.827 ( -0.565 -5.351 -0.411) 5.396 16.493 ( 12.489 -3.620 8.082) 15.310 17.553 ( -12.238 -0.376 -19.601) 23.110 20.340 ( 6.412 0.445 0.008) 6.427 ======================= Grid point 43 (34/344) ======================= q-point: (-0.13 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( -27.862 -0.000 0.000) 27.862 2.548 ( -30.870 -0.000 0.000) 30.870 3.616 ( -41.623 -0.000 0.000) 41.623 5.033 ( -7.710 -0.000 0.000) 7.710 5.646 ( -17.879 -0.000 0.000) 17.879 6.928 ( 11.657 0.000 -0.000) 11.657 7.540 ( 37.052 0.000 -0.000) 37.052 8.635 ( 28.720 0.000 -0.000) 28.720 9.024 ( 1.615 0.000 -0.000) 1.615 9.874 ( 14.762 0.000 -0.000) 14.762 11.122 ( 7.034 0.000 -0.000) 7.034 12.183 ( 0.991 0.000 -0.000) 0.991 12.780 ( -15.841 -0.000 0.000) 15.841 14.898 ( 11.137 0.000 -0.000) 11.137 15.778 ( -0.951 -0.000 0.000) 0.951 16.687 ( 8.898 0.000 -0.000) 8.898 17.282 ( -12.679 -0.000 0.000) 12.679 20.457 ( 6.713 0.000 -0.000) 6.713 ======================= Grid point 48 (35/344) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.026 ( 0.000 21.980 10.646) 24.422 2.190 ( 0.000 28.120 5.298) 28.614 3.281 ( 0.000 42.269 7.086) 42.859 4.970 ( -0.000 7.240 -0.651) 7.270 5.404 ( -0.000 19.294 -4.401) 19.790 7.178 ( 0.000 -4.767 2.912) 5.586 8.285 ( 0.000 -41.169 12.686) 43.079 8.422 ( -0.000 -25.582 -12.112) 28.305 9.374 ( -0.000 -30.116 -5.451) 30.606 9.481 ( 0.000 5.730 5.474) 7.925 11.759 ( 0.000 0.979 2.437) 2.627 12.003 ( -0.000 7.850 -5.807) 9.764 12.658 ( -0.000 16.652 -0.793) 16.671 14.114 ( -0.000 7.416 -67.582) 67.988 15.643 ( -0.000 -4.180 -11.253) 12.005 15.864 ( -0.000 3.549 -0.304) 3.562 18.743 ( 0.000 -19.812 67.167) 70.028 20.578 ( 0.000 -7.653 4.984) 9.133 ======================= Grid point 49 (36/344) ======================= q-point: ( 0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( 1.465 21.791 8.051) 23.277 2.605 ( 11.427 24.250 3.109) 26.987 3.782 ( 9.347 34.241 3.455) 35.662 5.060 ( 1.762 8.275 -0.800) 8.498 5.625 ( 4.642 18.340 -2.554) 19.089 7.066 ( -9.390 -4.754 2.016) 10.716 7.611 ( -21.133 -28.400 1.671) 35.440 8.353 ( 11.989 -32.758 2.803) 34.995 9.134 ( 7.709 -27.058 -2.441) 28.240 9.503 ( -6.196 5.105 1.171) 8.113 11.518 ( -22.556 0.371 1.343) 22.599 12.082 ( 1.113 3.161 -8.996) 9.600 12.824 ( 1.467 14.455 -2.129) 14.684 14.045 ( 9.576 5.418 -51.561) 52.721 15.574 ( 3.354 -7.278 -9.286) 12.265 15.922 ( 2.542 3.119 -1.972) 4.481 18.769 ( -3.352 -14.622 55.723) 57.707 20.493 ( -2.665 -7.705 3.709) 8.957 ======================= Grid point 50 (37/344) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.595 ( 8.844 21.084 5.254) 23.460 3.046 ( 11.524 21.552 1.250) 24.471 4.273 ( 13.441 22.303 -1.627) 26.091 5.188 ( 2.402 10.468 -0.741) 10.766 5.892 ( 6.832 14.735 0.131) 16.242 6.737 ( -16.332 -12.141 0.910) 20.370 7.165 ( -10.433 -10.766 6.185) 16.218 8.181 ( 3.714 -30.281 7.419) 31.397 9.036 ( 6.391 -19.284 -0.354) 20.318 9.389 ( -8.576 0.778 -5.780) 10.371 11.105 ( -21.056 -4.246 -0.905) 21.499 12.031 ( -4.505 0.975 -9.235) 10.321 12.956 ( 0.440 10.204 -4.974) 11.360 14.119 ( 9.254 9.025 -36.366) 38.595 15.539 ( 5.948 -10.095 -7.419) 13.868 15.984 ( 2.500 1.775 -2.659) 4.058 18.767 ( -4.448 -10.577 46.069) 47.477 20.367 ( -4.222 -6.961 1.481) 8.274 ======================= Grid point 51 (38/344) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.003 ( 11.890 19.828 3.049) 23.320 3.434 ( 9.003 19.192 0.480) 21.204 4.664 ( 14.423 10.193 -6.807) 18.928 5.341 ( 1.248 13.555 0.091) 13.613 6.116 ( 3.964 6.977 1.264) 8.123 6.450 ( -4.454 -5.542 7.553) 10.373 6.962 ( -8.939 -4.660 8.664) 13.292 7.964 ( 0.145 -24.529 6.488) 25.373 8.889 ( -13.764 -0.088 -0.892) 13.794 9.242 ( 4.314 -13.872 -6.641) 15.973 10.726 ( -11.992 -11.751 -4.625) 17.415 11.901 ( -7.633 1.448 -6.752) 10.293 12.998 ( -1.641 5.521 -7.399) 9.376 14.267 ( 6.892 14.692 -23.437) 28.507 15.511 ( 6.002 -11.268 -6.287) 14.231 16.020 ( 1.791 -0.132 -2.672) 3.220 18.751 ( -4.953 -7.836 36.655) 37.809 20.230 ( -4.150 -5.654 -0.594) 7.039 ======================= Grid point 52 (39/344) ======================= q-point: ( 0.47 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.401 ( 10.415 17.946 1.487) 20.803 3.733 ( 4.484 16.015 0.323) 16.633 4.928 ( 13.117 1.428 -9.268) 16.124 5.490 ( -1.454 15.529 0.535) 15.606 6.175 ( 1.499 -0.305 4.869) 5.103 6.530 ( 5.733 4.046 8.911) 11.342 6.819 ( -5.958 -4.569 11.415) 13.663 7.726 ( -5.424 -17.630 -0.347) 18.449 8.585 ( -22.114 7.308 -2.304) 23.404 9.227 ( 11.409 -14.569 -1.517) 18.566 10.412 ( -2.744 -20.918 -7.535) 22.402 11.768 ( -7.735 3.432 -4.026) 9.371 12.978 ( -1.926 3.194 -6.082) 7.134 14.462 ( 4.042 18.711 -14.194) 23.831 15.474 ( 4.837 -10.543 -4.752) 12.535 16.024 ( 1.760 -2.656 -3.276) 4.570 18.709 ( -5.953 -5.993 26.544) 27.855 20.116 ( -2.658 -4.117 -1.500) 5.125 ======================= Grid point 53 (40/344) ======================= q-point: ( 0.53 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.713 ( 5.357 15.445 0.388) 16.352 3.895 ( -1.919 11.114 -0.069) 11.278 5.093 ( 10.562 -2.354 -7.549) 13.194 5.591 ( -4.675 14.668 -0.403) 15.401 6.239 ( 2.791 -0.701 6.349) 6.971 6.628 ( -2.948 1.016 6.102) 6.853 6.815 ( 4.908 -3.875 11.493) 13.084 7.425 ( -10.175 -8.162 -6.252) 14.465 8.313 ( -15.908 7.679 -3.314) 17.973 9.313 ( 8.945 -6.117 4.333) 11.671 10.174 ( 8.711 -29.313 -7.444) 31.473 11.681 ( -5.719 5.126 -2.046) 7.948 12.971 ( -0.158 2.690 -2.025) 3.371 14.654 ( -0.751 21.128 -7.810) 22.538 15.445 ( 5.277 -8.877 -2.603) 10.650 16.006 ( 2.677 -5.495 -4.674) 7.695 18.618 ( -7.730 -4.701 15.992) 18.373 20.049 ( -0.449 -2.663 -1.061) 2.902 ======================= Grid point 54 (41/344) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.863 ( -12.022 16.064 0.352) 20.068 3.903 ( 1.276 1.508 -1.340) 2.387 5.198 ( 7.173 -3.262 -3.933) 8.807 5.617 ( -7.601 12.403 -1.249) 14.600 6.259 ( -1.654 -2.990 5.243) 6.258 6.583 ( -2.968 -2.687 5.657) 6.930 6.743 ( -7.546 -9.144 -4.527) 12.691 7.361 ( 5.962 4.508 2.403) 7.851 8.178 ( -8.097 12.206 -5.853) 15.773 9.393 ( 2.319 -4.399 7.108) 8.675 10.125 ( 22.591 -28.426 -3.733) 36.501 11.657 ( -2.629 5.421 -0.364) 6.036 13.016 ( 2.173 2.487 1.869) 3.795 14.779 ( -7.854 21.984 -2.833) 23.516 15.483 ( 9.316 -7.089 0.419) 11.714 15.975 ( 3.887 -7.623 -6.881) 10.981 18.466 ( -9.860 -3.601 6.448) 12.319 20.038 ( 1.706 -1.499 -0.175) 2.278 ======================= Grid point 55 (42/344) ======================= q-point: (-0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.680 ( -18.128 4.890 -0.744) 18.791 3.907 ( -6.391 4.352 -0.341) 7.740 5.225 ( 0.779 -4.857 -2.141) 5.364 5.572 ( -10.203 10.653 0.077) 14.751 6.168 ( -5.482 -2.866 2.551) 6.691 6.446 ( -4.471 -8.193 -7.599) 12.036 6.608 ( -0.068 -2.713 5.224) 5.887 7.531 ( 7.306 0.285 -1.081) 7.391 8.283 ( 2.664 22.777 -3.416) 23.186 9.360 ( 2.466 -12.762 4.497) 13.754 10.326 ( 25.020 -17.162 0.925) 30.355 11.698 ( 1.593 4.451 1.223) 4.883 13.098 ( 3.188 1.596 3.491) 4.989 14.804 ( -12.215 19.693 0.919) 23.192 15.630 ( 12.600 -4.840 5.787) 14.685 15.940 ( 5.262 -7.931 -10.579) 14.230 18.257 ( -11.822 -2.412 -0.507) 12.076 20.073 ( 3.444 -0.669 0.281) 3.520 ======================= Grid point 56 (43/344) ======================= q-point: (-0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.352 ( -22.417 1.099 -0.534) 22.451 3.759 ( -14.256 2.117 0.317) 14.416 5.082 ( -10.978 -4.656 -1.911) 12.077 5.482 ( -10.477 6.178 1.578) 12.264 6.123 ( 2.635 0.620 1.915) 3.316 6.288 ( -2.718 -6.856 -5.007) 8.914 6.650 ( 4.514 -0.402 2.996) 5.433 7.632 ( 8.447 -1.620 -3.954) 9.466 8.636 ( 8.599 23.227 0.382) 24.770 9.300 ( 6.785 -15.008 0.996) 16.501 10.588 ( 18.671 -8.881 1.586) 20.736 11.811 ( 6.453 2.578 1.677) 7.149 13.161 ( 1.112 0.256 2.376) 2.636 14.779 ( -9.967 13.091 2.762) 16.684 15.798 ( 4.563 -3.966 8.707) 10.600 15.974 ( 13.997 -4.263 -10.870) 18.228 18.011 ( -13.343 -1.108 -3.569) 13.857 20.142 ( 4.795 -0.146 0.223) 4.802 ======================= Grid point 57 (44/344) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.938 ( -25.225 -0.000 0.000) 25.225 3.462 ( -21.079 -0.000 0.000) 21.079 4.754 ( -22.932 -0.000 0.000) 22.932 5.338 ( -9.833 -0.000 0.000) 9.833 6.132 ( -8.685 -0.000 0.000) 8.685 6.326 ( 17.073 0.000 -0.000) 17.073 6.774 ( 9.387 0.000 -0.000) 9.387 7.821 ( 16.019 0.000 -0.000) 16.019 8.906 ( 5.860 0.000 -0.000) 5.860 9.381 ( 12.492 0.000 -0.000) 12.492 10.807 ( 12.189 0.000 -0.000) 12.189 11.967 ( 8.923 0.000 -0.000) 8.923 13.142 ( -4.245 -0.000 0.000) 4.245 14.741 ( -3.046 -0.000 0.000) 3.046 15.806 ( -0.196 -0.000 0.000) 0.196 16.223 ( 16.601 0.000 -0.000) 16.601 17.757 ( -14.107 -0.000 0.000) 14.107 20.235 ( 5.815 0.000 -0.000) 5.815 ======================= Grid point 64 (45/344) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.478 ( 0.000 16.274 7.522) 17.928 2.739 ( 0.000 23.888 1.737) 23.951 4.054 ( -0.000 31.468 -0.463) 31.471 5.116 ( -0.000 7.435 -0.167) 7.437 5.775 ( -0.000 19.809 -0.854) 19.828 7.132 ( 0.000 -2.613 2.948) 3.940 7.617 ( 0.000 -34.375 14.737) 37.401 7.810 ( -0.000 -24.890 -12.500) 27.853 8.720 ( -0.000 -30.507 -5.859) 31.065 9.685 ( 0.000 7.665 10.446) 12.957 11.741 ( -0.000 -2.268 -2.988) 3.752 12.073 ( -0.000 4.129 -7.002) 8.129 12.940 ( -0.000 12.977 -2.991) 13.318 13.789 ( -0.000 2.549 -42.829) 42.905 15.422 ( -0.000 -8.642 -12.292) 15.026 15.935 ( 0.000 3.458 0.276) 3.469 18.855 ( 0.000 -12.482 47.431) 49.046 20.451 ( 0.000 -7.910 3.229) 8.544 ======================= Grid point 65 (46/344) ======================= q-point: ( 0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.693 ( 4.684 16.182 5.255) 17.646 3.056 ( 9.157 19.382 0.637) 21.446 4.356 ( 3.540 23.078 -4.563) 23.789 5.221 ( 3.418 7.747 0.110) 8.468 5.991 ( 1.923 18.441 1.726) 18.622 6.911 ( -17.571 -15.097 2.998) 23.359 7.244 ( -6.892 -8.346 6.129) 12.438 7.757 ( 13.860 -27.661 1.622) 30.982 8.492 ( 11.377 -30.191 -7.066) 33.028 9.713 ( -10.456 8.888 8.557) 16.172 11.466 ( -22.889 -4.003 -4.676) 23.702 12.066 ( -1.765 2.077 -8.121) 8.566 13.050 ( -0.429 10.457 -4.115) 11.245 13.819 ( 14.851 3.962 -31.953) 35.457 15.312 ( 3.595 -10.717 -10.809) 15.640 15.978 ( 0.821 2.813 0.238) 2.940 18.887 ( -2.376 -9.819 39.888) 41.148 20.361 ( -2.502 -7.252 1.614) 7.840 ======================= Grid point 66 (47/344) ======================= q-point: ( 0.40 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.011 ( 10.433 17.118 2.972) 20.266 3.415 ( 11.868 14.526 0.494) 18.765 4.589 ( 4.953 13.301 -8.018) 16.302 5.390 ( 5.954 9.135 0.599) 10.921 6.190 ( 0.120 12.876 2.395) 13.097 6.531 ( -9.550 -9.257 8.491) 15.779 7.110 ( -8.067 -1.540 6.362) 10.389 7.690 ( 6.724 -22.867 4.887) 24.331 8.441 ( 19.764 -29.548 -7.681) 36.369 9.569 ( -20.111 10.965 3.663) 23.197 10.946 ( -25.056 -8.510 -6.223) 27.184 12.000 ( -4.603 1.760 -6.152) 7.883 13.079 ( -3.433 6.352 -5.922) 9.338 14.077 ( 17.564 9.478 -23.881) 31.122 15.250 ( 6.585 -12.852 -6.871) 15.992 16.011 ( 0.066 1.554 0.169) 1.565 18.882 ( -3.892 -7.512 32.405) 33.491 20.240 ( -3.790 -5.899 -0.281) 7.017 ======================= Grid point 67 (48/344) ======================= q-point: ( 0.47 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.388 ( 11.456 16.700 1.041) 20.278 3.751 ( 11.206 11.322 1.697) 16.020 4.738 ( 6.169 4.452 -9.829) 12.429 5.601 ( 5.749 11.157 1.012) 12.592 6.222 ( -3.383 3.043 4.188) 6.184 6.525 ( 3.237 3.698 12.098) 13.058 6.965 ( -9.624 -1.673 7.568) 12.358 7.582 ( 2.003 -16.483 1.538) 16.675 8.502 ( 20.914 -25.255 -5.634) 33.271 9.286 ( -24.267 11.032 0.206) 26.658 10.424 ( -18.949 -13.482 -7.119) 24.321 11.906 ( -6.196 2.582 -3.762) 7.695 13.038 ( -3.745 3.497 -5.532) 7.540 14.397 ( 14.321 14.155 -18.700) 27.480 15.231 ( 8.287 -13.215 -2.073) 15.736 16.004 ( -1.700 -0.407 -0.386) 1.790 18.845 ( -5.291 -5.709 24.286) 25.503 20.121 ( -3.399 -4.209 -1.433) 5.597 ======================= Grid point 68 (49/344) ======================= q-point: ( 0.53 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.711 ( 8.127 11.737 -0.471) 14.283 4.035 ( 5.757 13.169 3.329) 14.753 4.829 ( 8.684 -3.644 -9.685) 13.509 5.798 ( 1.449 13.764 1.157) 13.888 6.241 ( -0.644 2.495 5.797) 6.344 6.681 ( 4.115 3.244 8.690) 10.147 6.816 ( -7.261 -3.838 9.617) 12.647 7.436 ( -2.894 -9.146 -4.064) 10.419 8.540 ( 2.640 -10.711 -3.150) 11.472 9.082 ( -1.860 2.592 0.708) 3.268 9.966 ( -12.939 -17.379 -6.933) 22.749 11.819 ( -5.853 3.476 -2.173) 7.146 12.999 ( -1.703 2.160 -2.962) 4.042 14.699 ( 10.377 15.376 -14.654) 23.640 15.260 ( 8.139 -9.466 2.518) 12.735 15.938 ( -2.891 -3.719 -1.806) 5.045 18.763 ( -7.141 -4.261 15.603) 17.681 20.036 ( -1.688 -2.601 -1.333) 3.375 ======================= Grid point 69 (50/344) ======================= q-point: ( 0.60 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.885 ( 3.288 3.834 -0.779) 5.110 4.199 ( -6.281 15.875 2.470) 17.250 4.922 ( 13.146 -8.232 -6.745) 16.914 5.911 ( -6.564 15.559 1.025) 16.918 6.262 ( 0.175 -2.159 5.150) 5.587 6.659 ( -6.764 -2.525 4.651) 8.588 6.757 ( -3.140 -5.686 1.825) 6.747 7.349 ( 0.978 2.146 -1.305) 2.695 8.405 ( -8.156 4.345 -2.616) 9.604 9.272 ( 15.990 -1.941 5.161) 16.915 9.595 ( -2.059 -21.296 -6.591) 22.388 11.760 ( -4.215 3.420 -1.098) 5.538 13.007 ( 1.141 1.467 -0.212) 1.871 14.949 ( 7.245 12.979 -9.828) 17.819 15.339 ( 4.971 -1.194 6.097) 7.957 15.824 ( -1.126 -8.804 -4.413) 9.912 18.628 ( -9.306 -2.891 7.595) 12.355 20.003 ( 0.441 -1.358 -0.552) 1.531 ======================= Grid point 70 (51/344) ======================= q-point: (-0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.894 ( -4.450 -0.143 -0.419) 4.472 4.149 ( -13.084 8.858 0.390) 15.806 5.060 ( 11.016 -4.810 -2.581) 12.294 5.880 ( -11.992 10.042 0.758) 15.660 6.252 ( -1.465 -0.823 5.003) 5.277 6.455 ( -10.488 -7.941 -4.979) 14.066 6.631 ( -3.791 -1.330 1.488) 4.284 7.446 ( 4.469 1.890 0.619) 4.892 8.426 ( 1.876 13.075 -1.767) 13.326 9.233 ( -4.724 -13.697 1.521) 14.568 9.747 ( 27.783 -6.374 0.023) 28.504 11.734 ( -1.575 2.151 -0.148) 2.670 13.060 ( 3.195 0.762 0.946) 3.418 15.114 ( -0.963 10.810 -3.561) 11.422 15.446 ( 4.380 2.291 7.644) 9.103 15.726 ( 4.985 -10.638 -7.415) 13.893 18.444 ( -11.303 -1.434 1.952) 11.560 20.017 ( 2.286 -0.516 -0.022) 2.344 ======================= Grid point 71 (52/344) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.707 ( -16.767 -0.000 0.000) 16.767 3.981 ( -10.720 -0.000 0.000) 10.720 5.143 ( 0.993 0.000 -0.000) 0.993 5.718 ( -12.073 -0.000 0.000) 12.073 6.186 ( -8.688 -0.000 0.000) 8.688 6.269 ( -0.866 -0.000 0.000) 0.866 6.604 ( 0.783 0.000 -0.000) 0.783 7.519 ( 3.967 0.000 -0.000) 3.967 8.628 ( 8.799 0.000 -0.000) 8.799 9.110 ( 1.542 0.000 -0.000) 1.542 10.177 ( 24.387 0.000 -0.000) 24.387 11.750 ( 2.231 0.000 -0.000) 2.231 13.126 ( 3.330 0.000 -0.000) 3.330 15.045 ( -11.374 -0.000 0.000) 11.374 15.642 ( 14.535 0.000 -0.000) 14.535 15.744 ( 4.591 0.000 -0.000) 4.591 18.230 ( -12.794 -0.000 0.000) 12.794 20.067 ( 3.712 0.000 -0.000) 3.712 ======================= Grid point 80 (53/344) ======================= 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 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.796 ( 0.000 10.992 4.688) 11.950 3.169 ( -0.000 18.607 -1.045) 18.637 4.522 ( -0.000 18.364 -6.626) 19.522 5.256 ( 0.000 6.204 0.335) 6.213 6.178 ( 0.000 18.704 3.239) 18.983 6.985 ( 0.000 -19.156 10.076) 21.644 7.269 ( -0.000 -20.017 -9.926) 22.343 7.285 ( 0.000 -5.008 8.447) 9.820 8.083 ( -0.000 -28.103 -5.861) 28.707 9.921 ( 0.000 6.898 11.867) 13.726 11.640 ( -0.000 -3.571 -6.799) 7.680 12.071 ( -0.000 1.808 -8.200) 8.397 13.134 ( -0.000 9.402 -4.783) 10.548 13.583 ( -0.000 1.599 -22.067) 22.125 15.129 ( -0.000 -10.648 -12.647) 16.533 16.002 ( 0.000 2.734 0.604) 2.800 18.956 ( 0.000 -8.229 33.537) 34.532 20.317 ( 0.000 -6.760 0.837) 6.811 ======================= Grid point 81 (54/344) ======================= q-point: ( 0.40 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 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.990 ( 8.713 10.417 3.158) 13.943 3.388 ( 6.161 13.871 -1.436) 15.245 4.652 ( 0.380 12.119 -7.656) 14.340 5.361 ( 5.083 5.732 0.599) 7.684 6.355 ( -1.512 13.862 2.944) 14.252 6.650 ( -11.976 -11.145 8.773) 18.563 7.226 ( 0.522 -3.582 0.832) 3.714 7.308 ( 10.621 -14.600 4.088) 18.511 7.861 ( 8.902 -26.698 -6.994) 28.999 9.950 ( -9.379 7.354 9.753) 15.400 11.314 ( -25.896 -5.411 -8.248) 27.712 12.048 ( -1.471 1.592 -6.309) 6.671 13.180 ( -2.727 6.116 -5.073) 8.401 13.727 ( 19.454 4.681 -15.656) 25.406 15.004 ( 3.381 -11.412 -10.222) 15.690 16.031 ( 0.117 2.042 0.671) 2.152 18.978 ( -2.132 -6.405 26.977) 27.809 20.236 ( -2.252 -5.531 -0.372) 5.983 ======================= Grid point 82 (55/344) ======================= q-point: ( 0.47 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 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.320 ( 14.465 11.809 1.565) 18.739 3.632 ( 10.173 7.162 -0.424) 12.449 4.721 ( 0.048 6.666 -7.570) 10.087 5.547 ( 9.095 5.834 0.792) 10.835 6.347 ( -5.233 1.495 4.878) 7.309 6.595 ( -0.509 6.286 9.879) 11.720 7.145 ( -8.081 0.031 4.357) 9.181 7.355 ( 7.620 -12.393 1.170) 14.595 7.822 ( 20.481 -25.418 -7.336) 33.457 9.819 ( -19.234 9.874 5.977) 22.432 10.701 ( -29.620 -9.549 -8.354) 32.223 12.001 ( -3.687 1.733 -3.625) 5.453 13.133 ( -5.159 3.256 -4.438) 7.544 14.130 ( 22.727 9.675 -13.719) 28.255 14.942 ( 6.850 -12.963 -4.464) 15.326 16.041 ( -1.405 1.048 0.600) 1.853 18.958 ( -4.007 -4.651 19.858) 20.785 20.135 ( -3.265 -3.859 -1.234) 5.204 ======================= Grid point 83 (56/344) ======================= q-point: ( 0.53 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 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.673 ( 9.842 11.099 -0.445) 14.841 3.909 ( 17.303 3.121 2.313) 17.733 4.728 ( -0.982 1.522 -6.857) 7.092 5.784 ( 10.416 6.164 0.785) 12.128 6.344 ( -2.496 4.928 5.439) 7.753 6.692 ( 1.352 3.599 9.054) 9.837 6.996 ( -10.829 -0.346 5.388) 12.101 7.328 ( 2.712 -8.014 -3.705) 9.236 8.000 ( 26.983 -18.974 -4.009) 33.229 9.529 ( -27.593 11.513 2.644) 30.015 10.103 ( -21.781 -12.899 -6.626) 26.168 11.932 ( -4.878 1.824 -1.851) 5.527 13.058 ( -4.173 1.709 -2.713) 5.263 14.550 ( 16.958 13.536 -13.946) 25.793 14.962 ( 12.095 -13.723 3.118) 18.556 15.996 ( -4.703 -0.294 0.115) 4.713 18.894 ( -5.960 -3.075 12.264) 13.978 20.046 ( -2.697 -2.183 -1.200) 3.672 ======================= Grid point 84 (57/344) ======================= q-point: ( 0.60 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 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.855 ( 4.301 3.458 -0.452) 5.537 4.304 ( 16.922 9.406 4.209) 19.813 4.659 ( -1.171 -5.919 -6.401) 8.797 6.019 ( 8.580 6.350 0.540) 10.688 6.326 ( -6.565 1.655 2.669) 7.277 6.762 ( 0.270 -0.232 4.267) 4.282 6.811 ( -11.106 -1.334 3.395) 11.690 7.312 ( 3.323 -1.163 -2.632) 4.396 8.291 ( 20.773 -8.149 -1.141) 22.344 9.208 ( -15.307 6.111 0.559) 16.491 9.645 ( -16.334 -9.440 -3.082) 19.115 11.859 ( -4.750 1.388 -0.772) 5.008 13.015 ( -1.312 0.756 -0.814) 1.719 14.836 ( 9.574 6.758 -8.647) 14.563 15.147 ( 17.401 -4.359 4.512) 18.498 15.867 ( -8.773 -1.930 -0.660) 9.007 18.782 ( -8.042 -1.558 5.146) 9.674 19.994 ( -1.068 -0.868 -0.526) 1.473 ======================= Grid point 85 (58/344) ======================= 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 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.916 ( 1.119 0.000 -0.000) 1.119 4.431 ( -12.204 -0.000 0.000) 12.204 4.753 ( 19.501 0.000 -0.000) 19.501 6.159 ( -12.178 -0.000 0.000) 12.178 6.198 ( 6.105 0.000 -0.000) 6.105 6.611 ( -11.223 -0.000 0.000) 11.223 6.716 ( -5.381 -0.000 0.000) 5.381 7.385 ( 4.526 0.000 -0.000) 4.526 8.448 ( 2.479 0.000 -0.000) 2.479 9.279 ( 19.423 0.000 -0.000) 19.423 9.327 ( -13.196 -0.000 0.000) 13.196 11.791 ( -3.650 -0.000 0.000) 3.650 13.021 ( 1.564 0.000 -0.000) 1.564 15.018 ( 10.234 0.000 -0.000) 10.234 15.431 ( 14.171 0.000 -0.000) 14.171 15.661 ( -11.875 -0.000 0.000) 11.875 18.627 ( -9.921 -0.000 0.000) 9.921 19.987 ( 0.754 0.000 -0.000) 0.754 ======================= Grid point 96 (59/344) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.996 ( 0.000 6.379 2.473) 6.842 3.462 ( -0.000 11.745 -2.190) 11.948 4.729 ( -0.000 8.480 -6.583) 10.735 5.363 ( 0.000 3.973 0.574) 4.014 6.506 ( 0.000 8.298 3.144) 8.873 6.760 ( 0.000 -7.188 12.223) 14.180 6.876 ( -0.000 -12.761 -6.318) 14.239 7.324 ( 0.000 1.446 3.863) 4.125 7.530 ( -0.000 -21.901 -5.435) 22.566 10.122 ( 0.000 4.478 9.961) 10.921 11.517 ( -0.000 -2.848 -7.230) 7.771 12.037 ( -0.000 0.811 -6.809) 6.857 13.242 ( -0.000 5.120 -5.013) 7.166 13.516 ( -0.000 2.441 -7.188) 7.591 14.832 ( -0.000 -9.350 -10.548) 14.095 16.051 ( 0.000 1.682 0.549) 1.769 19.030 ( 0.000 -4.929 20.828) 21.403 20.203 ( -0.000 -4.487 -0.747) 4.549 ======================= Grid point 97 (60/344) ======================= q-point: ( 0.47 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.162 ( 11.698 5.114 1.501) 12.855 3.585 ( 3.722 6.996 -1.657) 8.096 4.768 ( -0.755 5.002 -4.959) 7.084 5.453 ( 6.150 2.970 0.556) 6.852 6.463 ( -6.179 -1.307 5.067) 8.097 6.712 ( -1.325 5.874 4.535) 7.539 6.999 ( 16.134 -7.928 -0.501) 17.983 7.304 ( -2.420 -3.461 3.490) 5.479 7.357 ( 2.985 -14.075 -5.666) 15.463 10.135 ( -6.861 4.246 7.169) 10.793 11.157 ( -30.372 -3.713 -6.770) 31.338 12.035 ( -0.073 0.934 -3.610) 3.730 13.231 ( -3.886 2.495 -3.250) 5.647 13.747 ( 22.459 4.363 -5.384) 23.503 14.733 ( 2.420 -8.225 -6.797) 10.941 16.067 ( -0.161 1.045 0.461) 1.154 19.037 ( -2.136 -3.266 14.004) 14.537 20.143 ( -2.001 -2.954 -0.971) 3.698 ======================= Grid point 98 (61/344) ======================= q-point: ( 0.53 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.499 ( 20.066 4.785 0.633) 20.639 3.707 ( 5.840 1.329 -0.481) 6.009 4.766 ( -1.969 2.093 -2.896) 4.079 5.631 ( 10.825 2.025 0.360) 11.018 6.431 ( -1.201 2.480 4.416) 5.205 6.759 ( -1.138 3.217 3.924) 5.200 7.149 ( 1.617 -0.996 1.845) 2.648 7.226 ( -5.204 -1.347 -3.133) 6.222 7.372 ( 22.822 -13.213 -1.942) 26.442 10.032 ( -13.412 6.073 4.729) 15.463 10.474 ( -37.332 -6.186 -5.675) 38.264 12.008 ( -2.917 0.703 -1.254) 3.252 13.152 ( -5.568 0.991 -1.545) 5.863 14.231 ( 27.325 6.243 -4.988) 28.470 14.699 ( 4.567 -7.601 -1.124) 8.938 16.059 ( -2.090 0.366 0.263) 2.138 18.997 ( -4.236 -1.602 6.787) 8.159 20.074 ( -2.876 -1.327 -0.681) 3.240 ======================= Grid point 99 (62/344) ======================= q-point: (-0.40 -0.60 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.795 ( 4.832 0.000 -0.000) 4.832 3.937 ( 25.091 0.000 -0.000) 25.091 4.715 ( -4.470 -0.000 0.000) 4.470 5.850 ( 12.396 0.000 -0.000) 12.396 6.433 ( -2.750 -0.000 0.000) 2.750 6.769 ( -0.096 -0.000 0.000) 0.096 7.021 ( -12.025 -0.000 0.000) 12.025 7.221 ( 4.407 0.000 -0.000) 4.407 7.774 ( 28.913 0.000 -0.000) 28.913 9.743 ( -36.459 -0.000 0.000) 36.459 9.858 ( -14.552 -0.000 0.000) 14.552 11.944 ( -4.381 -0.000 0.000) 4.381 13.065 ( -4.180 -0.000 0.000) 4.180 14.733 ( 5.629 0.000 -0.000) 5.629 14.735 ( 25.692 0.000 -0.000) 25.692 15.993 ( -5.872 -0.000 0.000) 5.872 18.910 ( -6.282 -0.000 0.000) 6.282 20.019 ( -2.398 -0.000 0.000) 2.398 ======================= Grid point 113 (63/344) ======================= q-point: ( 0.47 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.093 ( 0.000 2.106 0.763) 2.240 3.606 ( -0.000 3.908 -1.111) 4.063 4.798 ( -0.000 2.423 -2.506) 3.486 5.420 ( 0.000 1.346 0.303) 1.380 6.560 ( 0.000 -0.825 4.151) 4.232 6.671 ( -0.000 -4.354 -2.188) 4.873 6.850 ( 0.000 3.942 2.430) 4.631 7.152 ( -0.000 -10.412 -2.045) 10.611 7.379 ( 0.000 0.997 0.811) 1.285 10.237 ( 0.000 1.474 4.050) 4.310 11.436 ( -0.000 -1.013 -3.213) 3.369 12.011 ( -0.000 0.277 -2.603) 2.618 13.277 ( -0.000 1.368 -1.927) 2.363 13.537 ( -0.000 1.632 -1.123) 1.981 14.632 ( -0.000 -3.976 -4.398) 5.929 16.076 ( 0.000 0.558 0.215) 0.598 19.071 ( 0.000 -1.672 7.195) 7.386 20.135 ( -0.000 -1.561 -0.580) 1.666 ======================= Grid point 114 (64/344) ======================= q-point: (-0.47 -0.53 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.219 ( 12.798 0.000 -0.000) 12.798 3.648 ( 2.735 0.000 -0.000) 2.735 4.797 ( -0.963 -0.000 0.000) 0.963 5.485 ( 6.523 0.000 -0.000) 6.523 6.486 ( -3.521 -0.000 0.000) 3.521 6.773 ( 4.636 0.000 -0.000) 4.636 6.945 ( 12.290 0.000 -0.000) 12.290 7.109 ( 1.766 0.000 -0.000) 1.766 7.342 ( -4.995 -0.000 0.000) 4.995 10.209 ( -5.064 -0.000 0.000) 5.064 11.090 ( -32.948 -0.000 0.000) 32.948 12.031 ( 0.566 0.000 -0.000) 0.566 13.242 ( -4.071 -0.000 0.000) 4.071 13.778 ( 23.834 0.000 -0.000) 23.834 14.616 ( 1.460 0.000 -0.000) 1.460 16.079 ( -0.232 -0.000 0.000) 0.232 19.057 ( -2.166 -0.000 0.000) 2.166 20.109 ( -1.891 -0.000 0.000) 1.891 ======================= Grid point 245 (65/344) ======================= q-point: ( 0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.387 ( 0.000 -0.000 33.816) 33.816 0.387 ( 0.000 -0.000 33.816) 33.816 0.615 ( 0.000 -0.000 53.710) 53.710 4.719 ( -0.000 0.000 -2.156) 2.156 4.719 ( -0.000 0.000 -2.156) 2.156 8.976 ( 0.000 -0.000 0.391) 0.391 8.976 ( 0.000 -0.000 0.391) 0.391 9.061 ( -0.000 0.000 -6.238) 6.238 10.009 ( -0.000 0.000 -6.199) 6.199 10.009 ( -0.000 0.000 -6.199) 6.199 11.379 ( 0.000 -0.000 4.871) 4.871 11.379 ( 0.000 -0.000 4.871) 4.871 11.481 ( -0.000 0.000 -6.783) 6.783 11.645 ( 0.000 -0.000 7.115) 7.115 15.747 ( -0.000 0.000 -0.232) 0.232 15.747 ( -0.000 0.000 -0.232) 0.232 20.766 ( 0.000 -0.000 0.903) 0.903 22.570 ( 0.000 -0.000 0.205) 0.205 ======================= Grid point 246 (66/344) ======================= q-point: ( 0.13 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( 20.307 11.724 19.235) 30.328 0.789 ( 21.735 12.549 17.834) 30.788 1.483 ( 41.820 24.145 30.259) 56.986 4.726 ( 1.854 1.070 -3.499) 4.102 4.829 ( 9.188 5.305 -2.910) 11.001 7.451 ( -18.611 -10.745 16.472) 27.077 8.901 ( -3.888 -2.245 -3.525) 5.708 9.468 ( -31.447 -18.156 -13.076) 38.594 10.051 ( -2.704 -1.561 4.791) 5.719 10.623 ( -12.897 -7.446 0.994) 14.925 11.337 ( 0.209 0.121 -1.984) 1.998 11.545 ( 18.708 10.801 -21.079) 30.183 11.840 ( 13.099 7.562 3.894) 15.618 13.461 ( 81.001 46.766 -135.486) 164.635 15.772 ( 1.835 1.059 0.208) 2.129 15.779 ( 4.591 2.651 -3.772) 6.506 19.938 ( -88.057 -50.840 136.690) 170.362 20.792 ( -7.074 -4.084 14.120) 16.312 ======================= Grid point 247 (67/344) ======================= q-point: ( 0.20 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( 25.531 14.740 7.051) 30.312 1.375 ( 23.329 13.469 10.623) 28.957 2.557 ( 41.648 24.046 20.426) 52.249 4.772 ( 3.274 1.890 -4.593) 5.949 5.108 ( 15.346 8.860 -2.320) 17.871 7.183 ( -10.165 -5.869 0.662) 11.756 8.603 ( -36.950 -21.333 -12.090) 44.346 8.765 ( -6.375 -3.681 -6.412) 9.762 9.939 ( -9.084 -5.244 13.294) 16.934 10.193 ( -22.341 -12.898 5.308) 26.337 11.372 ( 4.121 2.379 -7.347) 8.753 11.784 ( 7.614 4.396 -14.263) 16.755 12.217 ( 17.425 10.060 -1.633) 20.186 14.049 ( 18.135 10.470 -81.440) 84.089 15.828 ( 2.756 1.591 0.579) 3.235 15.915 ( 8.961 5.174 -15.149) 18.345 19.087 ( -34.957 -20.183 98.929) 106.847 20.693 ( -6.090 -3.516 6.386) 9.499 ======================= Grid point 248 (68/344) ======================= q-point: ( 0.27 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( 21.071 12.165 7.738) 25.531 1.986 ( 26.345 15.211 1.339) 30.451 3.537 ( 37.154 21.451 13.339) 44.928 4.832 ( 3.388 1.956 -5.361) 6.637 5.493 ( 17.857 10.309 -1.405) 20.667 6.947 ( -9.754 -5.632 -5.112) 12.369 7.754 ( -31.815 -18.368 -5.482) 37.143 8.555 ( -9.540 -5.508 -6.960) 13.030 9.667 ( -24.553 -14.176 5.043) 28.797 9.770 ( -9.642 -5.567 15.685) 19.235 11.457 ( 5.561 3.210 -8.867) 10.948 11.816 ( 0.554 0.320 -15.547) 15.560 12.581 ( 14.490 8.366 -4.498) 17.325 13.985 ( 0.331 0.191 -45.852) 45.853 15.897 ( 2.872 1.658 0.793) 3.410 16.031 ( 6.797 3.924 -22.154) 23.503 18.823 ( -18.614 -10.747 73.920) 76.982 20.557 ( -7.041 -4.065 3.532) 8.865 ======================= Grid point 249 (69/344) ======================= q-point: ( 0.33 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.400 ( 17.441 10.069 6.140) 21.054 2.586 ( 25.411 14.671 -1.848) 29.400 4.362 ( 30.587 17.659 6.704) 35.949 4.879 ( 2.229 1.287 -5.541) 6.110 5.892 ( 16.232 9.371 -0.462) 18.748 6.692 ( -9.781 -5.647 -7.133) 13.358 7.156 ( -19.138 -11.050 5.596) 22.797 8.283 ( -11.453 -6.612 -5.448) 14.303 9.101 ( -25.714 -14.846 3.343) 29.879 9.631 ( -6.978 -4.029 13.605) 15.812 11.553 ( 5.369 3.100 -8.071) 10.177 11.714 ( -3.576 -2.065 -16.769) 17.270 12.827 ( 8.194 4.731 -8.573) 12.768 13.808 ( -3.071 -1.773 -22.219) 22.500 15.962 ( 2.403 1.387 0.831) 2.896 16.061 ( 3.655 2.110 -24.511) 24.872 18.723 ( -12.299 -7.101 57.614) 59.339 20.404 ( -6.637 -3.832 0.784) 7.704 ======================= Grid point 250 (70/344) ======================= q-point: ( 0.40 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.775 ( 13.079 7.551 4.743) 15.830 3.137 ( 22.744 13.131 -3.610) 26.509 4.890 ( 0.507 0.293 -4.658) 4.695 4.995 ( 22.864 13.201 0.324) 26.403 6.199 ( 8.917 5.148 1.503) 10.406 6.508 ( -2.684 -1.550 -3.281) 4.514 6.888 ( -8.052 -4.649 12.888) 15.891 8.006 ( -10.418 -6.015 -4.217) 12.748 8.508 ( -25.875 -14.939 -0.181) 29.878 9.548 ( -4.229 -2.442 10.496) 11.576 11.552 ( -4.567 -2.637 -15.089) 15.984 11.639 ( 4.414 2.548 -6.395) 8.177 12.875 ( -0.336 -0.194 -11.608) 11.614 13.723 ( 0.568 0.328 -5.983) 6.019 16.013 ( 1.671 0.965 0.725) 2.061 16.031 ( 2.102 1.213 -23.750) 23.874 18.666 ( -9.522 -5.498 43.496) 44.864 20.266 ( -5.089 -2.938 -1.053) 5.970 ======================= Grid point 251 (71/344) ======================= q-point: ( 0.47 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.035 ( 8.014 4.627 2.913) 9.702 3.592 ( 17.357 10.021 -4.191) 20.475 4.875 ( -0.405 -0.234 -2.291) 2.339 5.420 ( 14.697 8.485 -5.758) 17.921 6.303 ( 0.774 0.447 4.716) 4.799 6.530 ( 2.333 1.347 1.314) 2.997 6.869 ( 1.484 0.857 15.232) 15.328 7.785 ( -6.990 -4.036 -4.749) 9.365 7.917 ( -23.724 -13.697 -5.102) 27.866 9.509 ( -2.430 -1.403 8.315) 8.776 11.416 ( -2.500 -1.443 -10.103) 10.508 11.706 ( 3.141 1.814 -4.563) 5.829 12.782 ( -3.185 -1.839 -6.961) 7.873 13.755 ( 2.282 1.318 -0.640) 2.712 15.998 ( 2.647 1.528 -20.370) 20.598 16.045 ( 0.904 0.522 0.528) 1.170 18.598 ( -8.566 -4.946 29.105) 30.740 20.168 ( -2.918 -1.685 -1.344) 3.627 ======================= Grid point 252 (72/344) ======================= q-point: ( 0.53 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.161 ( 2.105 1.215 0.567) 2.496 3.877 ( 7.776 4.490 -3.491) 9.634 4.870 ( 0.480 0.277 1.300) 1.413 5.625 ( 5.684 3.282 -10.975) 12.788 6.317 ( -0.894 -0.516 4.702) 4.814 6.580 ( 0.300 0.173 8.906) 8.913 6.978 ( -0.052 -0.030 5.874) 5.874 7.456 ( -9.917 -5.726 -4.404) 12.269 7.653 ( -2.495 -1.440 -6.831) 7.413 9.493 ( -1.535 -0.887 7.255) 7.468 11.375 ( 1.317 0.760 -3.097) 3.450 11.750 ( 1.802 1.040 -2.848) 3.527 12.729 ( 0.369 0.213 1.039) 1.123 13.791 ( 0.703 0.406 -0.598) 1.008 16.014 ( 4.741 2.737 -15.074) 16.037 16.059 ( 0.185 0.107 0.288) 0.359 18.481 ( -8.742 -5.047 14.500) 17.668 20.123 ( -0.599 -0.346 -0.474) 0.839 ======================= Grid point 253 (73/344) ======================= q-point: (-0.40 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.136 ( -3.971 -2.293 -1.426) 4.802 3.903 ( -4.816 -2.780 -1.561) 5.776 4.912 ( 1.974 1.140 4.789) 5.304 5.598 ( -4.198 -2.424 -12.288) 13.209 6.297 ( -2.248 -1.298 2.986) 3.957 6.597 ( -1.586 -0.916 7.476) 7.697 6.818 ( -8.019 -4.630 -4.345) 10.229 7.552 ( 13.231 7.639 2.379) 15.462 7.622 ( 2.582 1.491 -9.388) 9.850 9.488 ( -1.294 -0.747 6.676) 6.841 11.454 ( 5.169 2.984 4.126) 7.256 11.769 ( 0.536 0.309 -1.219) 1.367 12.819 ( 5.650 3.262 8.206) 10.484 13.778 ( -1.297 -0.749 -1.717) 2.279 16.056 ( -0.504 -0.291 0.033) 0.583 16.108 ( 7.265 4.194 -8.797) 12.156 18.301 ( -9.356 -5.402 0.806) 10.833 20.134 ( 1.476 0.852 0.454) 1.764 ======================= Grid point 254 (74/344) ======================= q-point: (-0.33 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.974 ( -9.226 -5.327 -2.126) 10.863 3.658 ( -15.517 -8.959 0.714) 17.932 4.982 ( 1.753 1.012 6.763) 7.059 5.341 ( -14.245 -8.225 -10.380) 19.450 6.259 ( -0.798 -0.461 1.458) 1.725 6.575 ( -0.718 -0.414 -8.748) 8.787 6.702 ( -2.533 -1.462 12.916) 13.243 7.708 ( 8.339 4.814 -11.164) 14.743 7.944 ( 19.936 11.510 -2.791) 23.189 9.481 ( -1.353 -0.781 5.719) 5.929 11.630 ( 7.316 4.224 9.298) 12.562 11.766 ( -0.626 -0.362 0.519) 0.890 13.019 ( 6.861 3.961 12.104) 14.466 13.744 ( 0.055 0.032 -1.502) 1.503 16.036 ( -1.207 -0.697 -0.227) 1.412 16.277 ( 9.005 5.199 -2.469) 10.687 18.058 ( -9.827 -5.674 -11.187) 15.934 20.191 ( 3.138 1.812 0.754) 3.701 ======================= Grid point 255 (75/344) ======================= q-point: (-0.27 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.700 ( -13.775 -7.953 -1.508) 15.977 3.222 ( -22.118 -12.770 2.582) 25.670 4.859 ( -24.260 -14.006 -8.874) 29.385 5.026 ( -0.468 -0.270 6.809) 6.831 6.196 ( -8.441 -4.873 -0.902) 9.789 6.614 ( 9.902 5.717 2.271) 11.657 6.792 ( 6.104 3.524 8.380) 10.950 7.925 ( 13.947 8.052 -11.088) 19.553 8.434 ( 23.548 13.596 -6.258) 27.902 9.469 ( -1.176 -0.679 3.609) 3.856 11.744 ( -1.741 -1.005 2.548) 3.246 11.834 ( 6.452 3.725 10.534) 12.902 13.120 ( -3.180 -1.836 7.711) 8.540 13.864 ( 11.056 6.383 5.939) 14.080 15.998 ( -1.921 -1.109 -0.479) 2.270 16.491 ( 9.000 5.196 2.811) 10.766 17.767 ( -9.953 -5.746 -20.857) 23.814 20.282 ( 4.408 2.545 0.521) 5.116 ======================= Grid point 256 (76/344) ======================= q-point: (-0.20 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.328 ( -18.117 -10.460 0.099) 20.920 2.676 ( -25.853 -14.926 4.231) 30.151 4.157 ( -33.404 -19.286 -8.314) 39.457 5.008 ( -3.015 -1.740 5.399) 6.424 5.891 ( -15.688 -9.058 -2.368) 18.270 6.883 ( 7.290 4.209 9.288) 12.535 7.183 ( 27.099 15.646 7.749) 32.237 8.254 ( 17.169 9.913 -8.544) 21.588 8.973 ( 25.007 14.438 -7.346) 29.795 9.460 ( 0.026 0.015 -0.369) 0.370 11.705 ( -2.893 -1.671 4.855) 5.893 11.982 ( 2.805 1.619 8.104) 8.727 12.957 ( -11.338 -6.546 2.713) 13.370 14.261 ( 18.566 10.719 13.209) 25.181 15.944 ( -2.542 -1.468 -0.697) 3.017 16.694 ( 7.156 4.131 2.203) 8.552 17.447 ( -10.164 -5.868 -23.222) 26.020 20.396 ( 5.266 3.040 0.209) 6.084 ======================= Grid point 257 (77/344) ======================= q-point: (-0.13 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( -22.269 -12.857 2.585) 25.843 2.070 ( -28.009 -16.171 6.163) 32.924 3.265 ( -40.796 -23.553 -7.242) 47.660 4.936 ( -4.416 -2.549 3.364) 6.108 5.496 ( -16.987 -9.807 -2.296) 19.748 7.067 ( 6.404 3.697 5.723) 9.350 7.980 ( 36.468 21.055 12.959) 44.059 8.619 ( 15.306 8.837 -2.962) 17.921 9.482 ( 3.652 2.108 -7.075) 8.236 9.524 ( 24.820 14.330 -7.029) 29.509 11.647 ( -4.111 -2.374 7.138) 8.572 12.010 ( -2.553 -1.474 3.625) 4.673 12.651 ( -15.433 -8.910 1.543) 17.887 14.772 ( 20.372 11.762 12.824) 26.792 15.878 ( -2.836 -1.637 -0.828) 3.378 16.772 ( 3.450 1.992 -49.392) 49.552 17.182 ( -9.813 -5.665 29.943) 32.015 20.522 ( 5.469 3.158 0.305) 6.323 ======================= Grid point 258 (78/344) ======================= q-point: (-0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( -25.690 -14.832 6.537) 30.376 1.435 ( -29.156 -16.833 8.918) 34.827 2.235 ( -45.878 -26.488 -3.126) 53.067 4.841 ( -4.235 -2.445 1.298) 5.060 5.117 ( -14.444 -8.339 -2.365) 16.845 7.220 ( 5.234 3.022 4.031) 7.265 8.891 ( 7.241 4.180 3.743) 9.160 8.899 ( 37.234 21.497 12.745) 44.843 9.601 ( 10.312 5.953 -14.408) 18.691 10.057 ( 23.057 13.312 -6.114) 27.317 11.568 ( -5.257 -3.035 8.741) 10.643 11.888 ( -8.241 -4.758 -1.433) 9.623 12.265 ( -18.227 -10.524 2.007) 21.143 15.239 ( 16.915 9.766 -9.485) 21.713 15.811 ( -2.504 -1.446 -0.813) 3.004 16.372 ( -10.455 -6.036 -109.108) 109.774 17.369 ( 3.494 2.017 112.172) 112.244 20.644 ( 4.666 2.694 1.136) 5.506 ======================= Grid point 261 (79/344) ======================= q-point: ( 0.13 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( 0.000 29.765 17.385) 34.470 0.977 ( 0.000 24.275 23.483) 33.775 1.476 ( 0.000 37.188 34.448) 50.691 4.741 ( -0.000 3.678 -2.763) 4.600 4.791 ( -0.000 9.560 -4.734) 10.668 7.538 ( 0.000 -23.097 15.631) 27.889 9.034 ( 0.000 0.465 4.013) 4.039 9.657 ( -0.000 -16.006 -14.822) 21.815 9.759 ( 0.000 -25.440 0.188) 25.441 10.444 ( -0.000 -14.266 -7.374) 16.059 11.479 ( -0.000 21.780 -21.178) 30.379 11.572 ( 0.000 6.958 8.759) 11.186 11.897 ( 0.000 17.711 3.969) 18.151 12.911 ( -0.000 92.374 -112.339) 145.441 15.754 ( 0.000 -0.144 0.419) 0.443 15.755 ( -0.000 1.464 -0.668) 1.609 20.334 ( 0.000 -85.556 84.038) 119.926 20.882 ( 0.000 -25.031 35.796) 43.679 ======================= Grid point 262 (80/344) ======================= q-point: ( 0.20 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( 4.945 21.761 19.743) 29.796 1.432 ( 9.581 31.584 10.475) 34.628 2.282 ( 29.732 33.143 23.296) 50.251 4.768 ( 0.010 5.675 -4.039) 6.965 4.981 ( 9.667 12.242 -3.671) 16.024 7.306 ( -9.847 -9.429 4.633) 14.399 8.751 ( -22.317 -19.779 -7.220) 30.682 9.119 ( -22.599 0.057 -3.950) 22.942 9.735 ( 8.900 -29.251 6.297) 31.217 10.305 ( 4.462 -21.073 -4.814) 22.071 11.361 ( -15.225 4.516 3.076) 16.176 11.773 ( 6.238 17.578 -18.612) 26.350 12.143 ( 6.012 17.691 1.561) 18.750 13.554 ( 25.499 36.874 -88.297) 99.027 15.776 ( 3.023 -1.221 0.980) 3.405 15.806 ( 4.026 2.892 -4.105) 6.436 19.660 ( -24.409 -48.244 86.878) 102.328 20.772 ( -4.739 -7.560 12.575) 15.418 ======================= Grid point 263 (81/344) ======================= q-point: ( 0.27 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( 15.432 17.931 12.514) 26.763 1.961 ( 12.054 29.260 5.906) 32.192 3.210 ( 32.956 26.601 14.447) 44.749 4.823 ( 0.840 6.769 -4.749) 8.311 5.316 ( 14.739 13.074 -1.963) 19.800 7.052 ( -11.162 -6.285 -1.994) 12.964 8.006 ( -26.836 -26.335 -6.604) 38.175 8.821 ( -19.765 9.304 -4.677) 22.340 9.509 ( -0.794 -34.250 11.870) 36.257 10.116 ( -7.196 -10.247 -0.727) 12.542 11.221 ( 0.121 -5.720 -2.025) 6.070 11.884 ( -1.813 11.654 -18.933) 22.306 12.454 ( 10.302 14.033 -2.297) 17.559 13.804 ( 8.301 15.063 -57.771) 60.277 15.825 ( 4.402 -2.501 -0.941) 5.150 15.901 ( 5.291 3.313 -8.665) 10.679 19.249 ( -17.167 -24.253 70.501) 76.506 20.641 ( -6.372 -6.654 6.847) 11.479 ======================= Grid point 264 (82/344) ======================= q-point: ( 0.33 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.226 ( 18.086 15.309 7.809) 24.949 2.471 ( 13.060 25.796 2.375) 29.011 4.037 ( 30.409 19.895 6.357) 36.891 4.887 ( 0.098 7.537 -4.739) 8.903 5.710 ( 16.064 11.527 -0.032) 19.771 6.774 ( -11.062 -7.265 -5.473) 14.321 7.367 ( -19.131 -17.362 3.500) 26.071 8.539 ( -19.982 7.311 -5.980) 22.102 9.140 ( -7.632 -32.145 8.370) 34.082 9.872 ( -12.152 -4.746 6.039) 14.376 11.213 ( 10.725 -13.171 -6.917) 18.339 11.829 ( -6.622 7.278 -17.807) 20.344 12.720 ( 8.003 9.109 -6.540) 13.777 13.807 ( -0.725 10.847 -33.239) 34.972 15.857 ( 4.470 -4.235 -6.416) 8.892 15.977 ( 3.461 3.358 -8.676) 9.926 19.053 ( -12.155 -14.812 57.307) 60.425 20.478 ( -6.789 -6.149 2.613) 9.525 ======================= Grid point 265 (83/344) ======================= q-point: ( 0.40 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.684 ( 13.816 14.376 5.653) 20.725 2.953 ( 15.270 20.923 -1.023) 25.923 4.693 ( 24.476 12.047 -1.640) 27.330 4.941 ( -0.967 9.179 -3.340) 9.815 6.071 ( 12.943 7.388 1.880) 15.021 6.532 ( -5.672 -5.548 -1.850) 8.147 7.024 ( -9.817 -8.547 11.538) 17.394 8.240 ( -18.939 5.696 -6.395) 20.785 8.667 ( -15.232 -26.320 3.202) 30.577 9.675 ( -8.017 -4.617 8.535) 12.588 11.249 ( 13.539 -16.553 -9.296) 23.318 11.695 ( -7.182 3.488 -14.269) 16.351 12.844 ( 2.029 4.482 -9.899) 11.054 13.801 ( -2.691 13.213 -14.556) 19.842 15.844 ( 3.975 -5.515 -12.706) 14.410 16.028 ( 1.933 3.181 -5.776) 6.871 18.933 ( -10.151 -10.672 45.836) 48.145 20.315 ( -5.576 -5.050 -0.523) 7.541 ======================= Grid point 266 (84/344) ======================= q-point: ( 0.47 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.022 ( 6.758 13.762 3.818) 15.800 3.401 ( 15.879 14.946 -3.227) 22.043 4.926 ( -1.438 6.064 -2.824) 6.842 5.198 ( 16.634 9.367 -6.568) 20.188 6.272 ( 4.694 -0.484 4.844) 6.763 6.504 ( 3.198 2.199 3.024) 4.920 6.914 ( -1.834 -4.046 15.741) 16.355 7.948 ( -16.601 1.146 -9.451) 19.137 8.139 ( -19.293 -16.200 -0.341) 25.195 9.564 ( -3.242 -4.981 8.813) 10.630 11.272 ( 12.266 -15.880 -10.374) 22.588 11.568 ( -2.917 -1.880 -7.875) 8.605 12.837 ( -2.483 3.893 -7.510) 8.816 13.862 ( -3.369 15.505 -4.794) 16.575 15.805 ( 4.868 -5.875 -15.326) 17.120 16.065 ( 1.073 2.698 -4.224) 5.126 18.816 ( -9.956 -8.641 33.838) 36.315 20.189 ( -3.300 -3.580 -1.675) 5.150 ======================= Grid point 267 (85/344) ======================= q-point: ( 0.53 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.219 ( -0.166 11.846 1.491) 11.940 3.749 ( 11.489 8.180 -3.971) 14.652 4.942 ( -3.225 7.247 0.912) 7.984 5.468 ( 10.658 3.497 -12.166) 16.548 6.328 ( 1.299 -1.465 6.165) 6.468 6.599 ( 1.836 0.881 9.017) 9.244 6.976 ( 3.209 -1.389 12.463) 12.945 7.525 ( -15.093 -13.875 -9.599) 22.637 7.815 ( -13.054 6.251 -6.300) 15.785 9.521 ( -0.594 -4.128 9.319) 10.210 11.293 ( 11.242 -12.331 -8.558) 18.752 11.504 ( 3.151 -7.940 -1.723) 8.714 12.822 ( -2.544 6.685 -0.934) 7.213 13.931 ( -5.953 15.947 -1.898) 17.128 15.797 ( 7.646 -5.519 -14.078) 16.944 16.087 ( 0.517 2.275 -4.231) 4.832 18.660 ( -10.762 -7.610 21.248) 25.004 20.120 ( -0.776 -2.094 -1.044) 2.465 ======================= Grid point 268 (86/344) ======================= q-point: (-0.40 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.262 ( -6.888 8.778 -0.634) 11.176 3.904 ( 2.137 0.864 -3.374) 4.086 4.980 ( -2.243 8.027 4.490) 9.467 5.543 ( 2.393 -1.026 -14.425) 14.659 6.327 ( -1.930 -2.802 5.539) 6.501 6.643 ( -1.169 -2.601 11.185) 11.542 6.876 ( -8.675 -8.238 -5.072) 12.994 7.399 ( 9.508 2.095 2.596) 10.077 7.687 ( -6.997 8.880 -10.751) 15.601 9.521 ( -0.184 -2.395 9.641) 9.936 11.368 ( 14.956 -13.234 -4.248) 20.417 11.501 ( 4.975 -7.063 2.785) 9.078 12.891 ( 0.421 8.910 5.562) 10.512 13.952 ( -9.139 15.869 -1.750) 18.396 15.860 ( 10.545 -4.735 -9.515) 14.972 16.099 ( 0.715 2.103 -6.004) 6.402 18.449 ( -11.943 -7.035 9.802) 16.977 20.110 ( 1.426 -0.837 0.020) 1.654 ======================= Grid point 269 (87/344) ======================= q-point: (-0.33 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.157 ( -12.545 5.107 -1.568) 13.636 3.810 ( -9.391 -4.542 -1.639) 10.559 5.051 ( -1.628 7.556 6.693) 10.224 5.418 ( -7.366 -5.292 -12.811) 15.697 6.255 ( -1.876 -4.992 2.752) 6.002 6.559 ( -3.284 -3.875 -4.954) 7.095 6.749 ( -0.974 -4.623 10.722) 11.717 7.657 ( 4.168 5.205 -11.592) 13.373 7.722 ( 12.694 13.741 -2.052) 18.819 9.530 ( -1.074 -0.913 8.642) 8.757 11.465 ( 17.173 -24.256 -1.169) 29.743 11.594 ( 5.746 5.589 7.019) 10.655 13.043 ( 3.489 7.322 9.386) 12.405 13.935 ( -10.420 17.459 -1.489) 20.387 15.968 ( 7.484 -4.385 -0.757) 8.707 16.133 ( 6.178 2.396 -12.187) 13.872 18.183 ( -13.088 -6.551 1.446) 14.707 20.148 ( 3.162 0.120 0.554) 3.212 ======================= Grid point 270 (88/344) ======================= q-point: (-0.27 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.925 ( -16.872 0.818 -1.119) 16.929 3.499 ( -19.028 -6.271 0.346) 20.038 5.059 ( -13.913 -7.674 -5.191) 16.715 5.127 ( -7.247 3.413 2.560) 8.410 6.233 ( 0.184 -3.568 2.238) 4.216 6.479 ( 3.872 -3.080 -5.425) 7.342 6.773 ( 2.640 -1.945 12.720) 13.136 7.771 ( 9.202 8.101 -14.958) 19.340 8.160 ( 19.453 15.537 -2.082) 24.983 9.527 ( -1.878 0.114 5.921) 6.213 11.487 ( 12.860 -22.609 1.765) 26.070 11.815 ( 8.461 5.458 7.853) 12.769 13.167 ( 0.331 0.506 7.516) 7.540 13.988 ( -4.625 22.409 2.364) 23.003 15.987 ( 0.328 -3.723 0.961) 3.859 16.291 ( 13.992 1.591 -14.565) 20.259 17.883 ( -13.927 -5.937 -1.272) 15.193 20.223 ( 4.533 0.827 0.558) 4.641 ======================= Grid point 271 (89/344) ======================= q-point: (-0.20 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.581 ( -20.423 -4.599 0.374) 20.938 3.056 ( -25.605 -4.534 1.992) 26.079 4.512 ( -29.049 -13.476 -6.745) 32.726 5.107 ( -5.360 2.904 5.337) 8.103 6.053 ( -12.698 -6.660 -2.923) 14.633 6.720 ( 19.232 -0.619 7.112) 20.514 6.930 ( 13.291 4.349 7.519) 15.877 8.035 ( 16.827 9.894 -13.520) 23.746 8.661 ( 20.362 14.697 -0.641) 25.120 9.521 ( -1.291 2.773 0.796) 3.161 11.477 ( 10.484 -22.053 3.725) 24.701 12.021 ( 5.256 5.326 6.142) 9.681 13.090 ( -8.503 -4.152 2.595) 9.812 14.261 ( 6.344 23.598 6.841) 25.376 15.937 ( -0.954 -4.716 -0.917) 4.898 16.482 ( 12.928 1.603 -23.755) 27.093 17.594 ( -13.579 -5.153 9.231) 17.209 20.324 ( 5.620 1.313 0.461) 5.790 ======================= Grid point 272 (90/344) ======================= q-point: (-0.13 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( -23.493 -9.919 2.749) 25.649 2.550 ( -30.192 -1.430 3.162) 30.391 3.759 ( -39.070 -13.804 -3.664) 41.599 5.033 ( -6.558 0.229 2.938) 7.189 5.707 ( -17.273 -6.250 -3.074) 18.625 6.963 ( 9.818 -1.517 5.903) 11.556 7.492 ( 36.626 6.656 7.750) 38.024 8.439 ( 20.440 13.928 -8.693) 26.217 9.086 ( 15.680 0.386 4.633) 16.355 9.603 ( 4.993 15.331 -8.068) 18.030 11.438 ( 8.549 -21.968 5.323) 24.166 12.131 ( -0.758 5.039 2.516) 5.683 12.843 ( -14.319 -5.481 0.593) 15.344 14.673 ( 12.671 18.838 2.295) 22.819 15.858 ( -0.893 -6.161 -2.891) 6.863 16.521 ( 3.518 2.881 -52.352) 52.549 17.448 ( -7.495 -3.961 45.967) 46.742 20.444 ( 6.311 1.462 0.724) 6.518 ======================= Grid point 273 (91/344) ======================= q-point: (-0.07 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( -25.911 -11.310 6.264) 28.958 1.998 ( -33.620 -1.359 3.172) 33.797 2.885 ( -47.107 -8.547 2.813) 47.958 4.919 ( -6.283 -1.337 0.340) 6.433 5.335 ( -18.041 -3.409 -2.767) 18.568 7.123 ( 8.409 -1.289 2.973) 9.012 8.247 ( 41.722 -0.893 2.135) 41.786 8.929 ( 15.064 19.737 2.639) 24.969 9.243 ( 14.975 -12.823 -0.344) 19.718 9.955 ( 13.521 22.571 -8.352) 27.604 11.377 ( 6.507 -19.945 5.673) 21.733 12.104 ( -7.974 3.976 -1.717) 9.075 12.505 ( -18.092 -5.584 0.449) 18.939 15.001 ( 11.864 5.688 -27.006) 30.040 15.774 ( -0.500 -4.239 -3.530) 5.539 16.268 ( -10.613 6.339 -62.493) 63.704 17.657 ( 6.202 -0.412 86.867) 87.089 20.572 ( 6.283 1.031 1.692) 6.588 ======================= Grid point 277 (92/344) ======================= q-point: ( 0.20 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( 0.000 23.428 17.158) 29.039 1.653 ( 0.000 28.465 12.582) 31.122 2.477 ( 0.000 40.919 19.641) 45.389 4.822 ( -0.000 6.484 -3.103) 7.188 5.020 ( -0.000 16.554 -4.773) 17.228 7.314 ( 0.000 -8.997 2.658) 9.381 8.862 ( -0.000 -20.547 -7.261) 21.792 9.126 ( 0.000 -37.412 5.872) 37.870 9.403 ( -0.000 1.927 -1.110) 2.224 9.947 ( -0.000 -28.037 -2.606) 28.158 11.725 ( -0.000 16.540 -17.304) 23.937 11.733 ( 0.000 3.187 5.267) 6.156 12.298 ( -0.000 18.971 0.846) 18.990 13.367 ( -0.000 37.677 -83.681) 91.771 15.725 ( 0.000 -3.752 0.642) 3.807 15.795 ( -0.000 2.985 -0.508) 3.028 19.654 ( 0.000 -45.797 71.445) 84.863 20.776 ( 0.000 -9.964 13.646) 16.896 ======================= Grid point 278 (93/344) ======================= q-point: ( 0.27 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( 0.414 22.162 14.465) 26.469 2.106 ( 9.500 27.656 8.393) 30.423 3.108 ( 17.950 34.520 12.522) 40.874 4.881 ( 0.100 8.347 -3.562) 9.075 5.254 ( 8.054 17.114 -2.845) 19.127 7.168 ( -8.315 -5.902 -0.119) 10.198 8.175 ( -27.397 -27.859 -6.175) 39.558 9.056 ( 11.124 -30.127 7.430) 32.964 9.309 ( -14.778 2.579 4.407) 15.635 9.755 ( 12.059 -27.395 -8.151) 31.022 11.489 ( -21.586 3.744 3.532) 22.191 11.898 ( 3.325 10.232 -20.517) 23.167 12.502 ( 2.645 16.911 -0.684) 17.130 13.549 ( 13.974 20.983 -62.799) 67.671 15.708 ( 3.461 -6.149 -0.071) 7.056 15.848 ( 2.481 3.382 -1.459) 4.441 19.437 ( -7.798 -30.192 60.717) 68.257 20.685 ( -4.007 -9.410 9.653) 14.064 ======================= Grid point 279 (94/344) ======================= q-point: ( 0.33 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( 9.207 20.300 10.030) 24.443 2.571 ( 9.541 26.534 4.824) 28.607 3.802 ( 22.904 24.485 4.541) 33.834 4.966 ( 0.213 10.397 -3.417) 10.946 5.591 ( 12.112 14.965 -0.030) 19.252 6.908 ( -13.737 -6.386 -2.797) 15.405 7.507 ( -18.322 -20.498 1.366) 27.527 8.879 ( 1.693 -32.267 8.479) 33.406 9.031 ( -23.408 8.162 3.123) 24.986 9.698 ( 13.112 -24.442 -9.481) 29.312 11.169 ( -15.720 -2.083 1.757) 15.955 11.905 ( -2.602 6.395 -20.759) 21.877 12.706 ( 3.808 12.820 -3.954) 13.946 13.724 ( 9.035 14.428 -42.306) 45.603 15.707 ( 4.514 -7.551 -2.621) 9.179 15.924 ( 3.174 2.868 -2.544) 4.977 19.262 ( -8.152 -19.880 51.786) 56.066 20.533 ( -6.103 -8.463 4.893) 11.524 ======================= Grid point 280 (95/344) ======================= q-point: ( 0.40 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.628 ( 13.089 18.636 6.083) 23.572 2.997 ( 8.590 24.174 2.306) 25.758 4.397 ( 22.327 14.370 -3.296) 26.755 5.066 ( -0.892 12.794 -2.142) 13.003 5.942 ( 12.131 10.445 2.257) 16.166 6.601 ( -10.275 -6.913 0.221) 12.386 7.142 ( -10.042 -10.201 8.931) 16.872 8.562 ( -4.714 -30.480 6.780) 31.579 8.707 ( -25.188 11.139 -1.802) 27.600 9.619 ( 6.469 -19.709 -4.077) 21.141 10.941 ( -2.724 -11.081 -3.093) 11.823 11.801 ( -6.683 4.365 -16.879) 18.671 12.835 ( 1.571 7.676 -7.453) 10.814 13.864 ( 5.125 15.604 -25.070) 29.971 15.684 ( 3.426 -7.790 -5.815) 10.308 15.989 ( 2.727 1.764 -3.203) 4.561 19.134 ( -7.959 -14.588 43.557) 46.619 20.356 ( -6.056 -6.963 0.619) 9.249 ======================= Grid point 281 (96/344) ======================= q-point: ( 0.47 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.046 ( 11.151 17.591 3.559) 21.129 3.367 ( 7.756 20.116 0.073) 21.560 4.820 ( 16.907 5.727 -8.587) 19.808 5.181 ( -0.939 14.937 -0.912) 14.994 6.189 ( 6.697 1.811 3.959) 7.987 6.500 ( 1.091 1.255 6.473) 6.683 6.975 ( -4.974 -6.248 13.283) 15.499 8.148 ( -13.605 -22.183 -3.039) 26.199 8.389 ( -21.340 8.217 -0.649) 22.876 9.523 ( 3.042 -13.732 1.750) 14.173 10.812 ( 7.976 -20.813 -7.267) 23.444 11.660 ( -7.557 4.203 -11.461) 14.357 12.873 ( -0.498 4.773 -6.812) 8.333 14.030 ( 2.349 18.551 -13.313) 22.954 15.630 ( 2.538 -7.293 -8.490) 11.476 16.030 ( 2.361 0.380 -3.711) 4.415 19.008 ( -8.765 -11.756 34.387) 37.383 20.202 ( -4.134 -5.092 -1.733) 6.784 ======================= Grid point 282 (97/344) ======================= q-point: ( 0.53 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.366 ( 3.440 17.659 1.994) 18.101 3.663 ( 7.401 12.810 -2.025) 14.932 5.035 ( 5.855 5.052 -5.335) 9.395 5.326 ( 3.271 10.747 -5.362) 12.447 6.288 ( 3.974 -1.512 6.881) 8.088 6.612 ( 2.438 3.070 7.841) 8.766 6.950 ( 1.913 -4.341 15.083) 15.812 7.645 ( -18.173 -15.536 -9.326) 25.663 8.128 ( -17.272 8.078 -4.162) 19.516 9.481 ( 3.039 -8.233 7.118) 11.300 10.737 ( 15.368 -28.384 -8.327) 33.335 11.557 ( -5.555 5.232 -5.711) 9.531 12.891 ( -0.123 4.522 -2.264) 5.059 14.197 ( -2.095 20.934 -6.805) 22.112 15.580 ( 4.283 -6.518 -9.951) 12.643 16.051 ( 2.173 -1.089 -4.347) 4.980 18.845 ( -10.380 -9.925 23.916) 27.897 20.105 ( -1.412 -3.327 -1.669) 3.981 ======================= Grid point 283 (98/344) ======================= q-point: ( 0.60 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.518 ( -6.513 16.764 0.427) 17.990 3.848 ( 4.698 4.309 -3.052) 7.068 5.134 ( -0.160 8.128 0.600) 8.151 5.430 ( 2.749 4.338 -10.113) 11.343 6.343 ( 0.332 -2.465 7.426) 7.832 6.668 ( -0.124 -2.039 10.755) 10.947 6.925 ( -8.144 -9.752 -0.952) 12.741 7.315 ( 0.758 -0.638 -0.547) 1.132 7.925 ( -13.145 10.109 -9.397) 19.060 9.506 ( 2.626 -4.363 10.528) 11.695 10.727 ( 21.464 -31.237 -6.333) 38.426 11.535 ( -2.033 5.982 -0.479) 6.336 12.954 ( 1.886 4.838 2.735) 5.869 14.310 ( -7.993 22.556 -3.362) 24.165 15.594 ( 8.851 -5.267 -9.644) 14.110 16.050 ( 2.016 -2.550 -5.416) 6.316 18.629 ( -12.116 -8.441 14.096) 20.414 20.072 ( 1.029 -1.966 -0.566) 2.290 ======================= Grid point 284 (99/344) ======================= q-point: (-0.33 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.481 ( -14.328 12.500 -0.653) 19.026 3.877 ( -2.483 -0.527 -2.612) 3.643 5.206 ( -1.757 7.684 2.931) 8.410 5.418 ( -3.172 1.400 -9.858) 10.450 6.276 ( -5.424 -5.840 4.796) 9.303 6.576 ( -6.968 -7.439 -3.123) 10.661 6.732 ( 0.365 -5.710 7.530) 9.457 7.494 ( 10.487 3.155 0.133) 10.952 7.846 ( -4.701 17.239 -10.148) 20.549 9.540 ( 1.257 -4.149 9.712) 10.636 10.810 ( 24.319 -28.780 -3.014) 37.799 11.603 ( 2.242 5.725 3.907) 7.285 13.066 ( 3.712 3.776 5.585) 7.696 14.352 ( -12.141 23.596 -1.304) 26.568 15.713 ( 13.212 -3.199 -7.379) 15.467 16.028 ( 2.042 -4.027 -7.703) 8.928 18.368 ( -13.530 -7.029 7.459) 16.974 20.092 ( 2.871 -1.003 0.172) 3.046 ======================= Grid point 285 (100/344) ======================= q-point: (-0.27 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.278 ( -19.292 6.241 -0.595) 20.286 3.734 ( -12.039 -0.957 -1.241) 12.141 5.171 ( -7.812 -4.491 -6.529) 11.128 5.326 ( -7.949 8.419 2.649) 11.877 6.173 ( 0.641 -4.365 3.186) 5.441 6.410 ( -2.950 -6.543 -5.563) 9.081 6.741 ( 2.358 -5.191 11.216) 12.582 7.620 ( 6.806 0.653 -9.865) 12.003 8.110 ( 10.231 25.566 -2.563) 27.656 9.534 ( 0.871 -6.330 5.849) 8.663 10.940 ( 21.103 -24.144 -0.623) 32.073 11.753 ( 6.748 4.442 6.137) 10.145 13.171 ( 2.559 0.586 4.878) 5.540 14.384 ( -10.836 24.442 0.968) 26.754 15.903 ( 9.770 -2.234 2.131) 10.246 15.994 ( 7.159 -4.123 -18.820) 20.554 18.086 ( -14.255 -5.571 6.389) 16.585 20.149 ( 4.302 -0.324 0.336) 4.327 ======================= Grid point 286 (101/344) ======================= q-point: (-0.20 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.942 ( -22.824 0.270 0.369) 22.828 3.444 ( -20.338 0.478 -0.041) 20.343 4.823 ( -21.000 -7.237 -5.883) 22.978 5.285 ( -7.970 5.357 4.314) 10.527 6.163 ( -6.268 -3.406 -0.257) 7.138 6.383 ( 14.627 -4.198 0.053) 15.218 6.813 ( 6.605 -2.308 8.694) 11.160 7.773 ( 13.996 3.397 -9.220) 17.101 8.581 ( 13.418 24.445 0.780) 27.896 9.502 ( 2.399 -6.713 0.160) 7.131 11.035 ( 15.237 -20.128 1.193) 25.273 11.950 ( 8.620 2.528 4.611) 10.098 13.171 ( -3.408 -2.366 1.652) 4.466 14.498 ( -3.454 21.909 1.788) 22.251 15.883 ( -0.279 -6.556 -4.166) 7.772 16.165 ( 14.968 1.970 -19.150) 24.385 17.831 ( -13.213 -4.187 14.885) 20.339 20.235 ( 5.508 0.130 0.313) 5.519 ======================= Grid point 287 (102/344) ======================= q-point: (-0.13 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.508 ( -25.610 -2.879 1.950) 25.845 3.046 ( -26.112 0.384 0.135) 26.115 4.284 ( -32.090 -4.343 -1.134) 32.402 5.180 ( -8.582 0.529 1.494) 8.727 5.932 ( -14.331 -2.279 -2.410) 14.710 6.701 ( 19.808 -3.969 2.692) 20.380 7.035 ( 19.758 0.166 4.558) 20.278 8.122 ( 22.791 7.288 -3.025) 24.119 8.973 ( 7.761 7.910 4.807) 12.079 9.551 ( 9.316 4.462 -6.805) 12.370 11.083 ( 10.542 -15.682 2.458) 19.056 12.110 ( 6.239 0.558 0.490) 6.283 13.023 ( -10.412 -2.660 -0.703) 10.770 14.677 ( 4.195 10.838 -6.259) 13.200 15.796 ( -0.531 -3.989 -5.965) 7.196 16.316 ( 7.401 5.550 -29.835) 31.236 17.701 ( -7.508 -3.054 37.880) 38.738 20.343 ( 6.486 0.253 0.544) 6.514 ======================= Grid point 288 (103/344) ======================= q-point: (-0.07 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.034 ( -27.160 -1.145 4.132) 27.496 2.541 ( -30.716 -2.604 -0.919) 30.840 3.650 ( -40.342 3.770 5.719) 40.919 5.025 ( -7.849 -2.132 -1.438) 8.260 5.633 ( -17.972 1.431 -2.086) 18.149 6.931 ( 11.794 -3.574 0.261) 12.326 7.528 ( 35.619 -4.390 -1.900) 35.939 8.673 ( 29.071 9.366 6.308) 31.187 9.021 ( 1.588 -9.385 -0.381) 9.526 9.853 ( 14.749 9.616 -3.664) 17.984 11.129 ( 7.335 -5.809 1.222) 9.436 12.160 ( 0.625 -2.081 -4.223) 4.749 12.772 ( -15.548 -0.781 -1.483) 15.638 14.731 ( 5.689 -6.802 -29.712) 31.007 15.771 ( -0.190 3.600 -1.393) 3.865 16.285 ( -3.616 8.363 -38.279) 39.348 17.844 ( 4.179 -1.236 67.119) 67.261 20.465 ( 7.019 -0.214 1.372) 7.155 ======================= Grid point 293 (104/344) ======================= q-point: ( 0.27 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.158 ( 0.000 19.178 12.212) 22.736 2.267 ( 0.000 24.688 8.691) 26.173 3.369 ( 0.000 36.875 7.506) 37.631 4.949 ( -0.000 8.298 -3.135) 8.871 5.366 ( -0.000 20.120 -1.841) 20.204 7.192 ( -0.000 -3.959 -0.578) 4.000 8.286 ( -0.000 -26.456 -11.433) 28.821 8.415 ( 0.000 -38.404 9.861) 39.650 9.326 ( -0.000 -31.372 -2.788) 31.496 9.561 ( 0.000 8.182 8.175) 11.566 11.771 ( -0.000 -1.192 -0.417) 1.263 11.868 ( -0.000 11.799 -19.757) 23.012 12.643 ( -0.000 15.655 -1.798) 15.758 13.375 ( -0.000 18.942 -56.198) 59.305 15.597 ( 0.000 -9.354 0.070) 9.354 15.863 ( -0.000 3.756 0.073) 3.756 19.424 ( 0.000 -25.850 51.614) 57.725 20.656 ( 0.000 -10.613 9.041) 13.942 ======================= Grid point 294 (105/344) ======================= q-point: ( 0.33 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.361 ( 0.725 19.104 9.414) 21.310 2.656 ( 10.580 21.778 5.998) 24.943 3.812 ( 8.786 29.611 1.349) 30.916 5.038 ( 1.626 9.502 -2.927) 10.075 5.614 ( 5.139 19.368 0.858) 20.056 7.069 ( -10.381 -3.777 -1.577) 11.159 7.618 ( -20.127 -23.949 0.015) 31.284 8.415 ( 16.366 -34.948 7.364) 39.286 9.086 ( 10.346 -31.047 -5.429) 33.173 9.545 ( -14.566 10.419 5.666) 18.784 11.518 ( -21.358 -2.137 -1.338) 21.506 11.909 ( 0.226 8.089 -22.499) 23.910 12.794 ( 0.879 13.531 -2.908) 13.868 13.492 ( 13.296 13.732 -41.651) 45.828 15.527 ( 3.996 -11.471 -0.708) 12.167 15.914 ( 1.350 3.521 -0.005) 3.771 19.343 ( -3.551 -19.634 44.682) 48.934 20.546 ( -3.603 -10.105 5.757) 12.175 ======================= Grid point 295 (106/344) ======================= q-point: ( 0.40 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.660 ( 7.954 18.980 6.145) 21.477 3.074 ( 10.844 20.164 3.720) 23.195 4.237 ( 12.335 18.857 -4.869) 23.053 5.173 ( 2.575 11.731 -1.851) 12.152 5.909 ( 7.015 15.410 2.984) 17.192 6.749 ( -14.866 -8.484 1.282) 17.164 7.235 ( -8.741 -9.605 6.020) 14.314 8.282 ( 4.440 -32.178 10.108) 34.019 9.003 ( 14.242 -27.185 -5.638) 31.204 9.347 ( -19.632 10.201 -1.449) 22.171 11.082 ( -20.869 -6.773 -3.067) 22.154 11.873 ( -3.328 6.228 -18.944) 20.217 12.896 ( -1.053 9.614 -5.304) 11.030 13.737 ( 13.844 13.707 -28.908) 34.860 15.493 ( 5.813 -12.039 -1.521) 13.455 15.968 ( 1.214 2.529 -0.629) 2.875 19.251 ( -5.138 -15.408 38.628) 41.904 20.385 ( -5.418 -8.445 1.648) 10.168 ======================= Grid point 296 (107/344) ======================= q-point: ( 0.47 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.039 ( 11.230 18.379 3.193) 21.774 3.452 ( 8.374 18.888 2.623) 20.827 4.571 ( 13.515 8.521 -9.287) 18.480 5.340 ( 1.563 14.429 -0.335) 14.517 6.143 ( 4.154 6.856 3.281) 8.662 6.546 ( -3.029 -1.391 9.078) 9.671 7.063 ( -6.868 -5.211 9.161) 12.579 8.034 ( -2.394 -26.388 5.583) 27.079 8.875 ( -13.573 -2.148 -1.527) 13.827 9.169 ( 5.003 -11.025 -5.791) 13.420 10.668 ( -13.049 -13.291 -5.448) 19.406 11.786 ( -6.060 5.938 -13.620) 16.046 12.921 ( -1.975 5.928 -5.554) 8.361 14.017 ( 11.575 16.117 -19.583) 27.879 15.467 ( 5.023 -10.732 -1.900) 12.001 15.995 ( 0.444 0.768 -1.840) 2.043 19.142 ( -6.622 -12.922 31.841) 34.996 20.219 ( -4.879 -6.135 -1.419) 7.966 ======================= Grid point 297 (108/344) ======================= q-point: ( 0.53 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.415 ( 10.140 16.811 0.986) 19.658 3.746 ( 3.316 16.879 1.955) 17.313 4.814 ( 13.549 1.231 -10.521) 17.199 5.496 ( -1.813 16.158 0.532) 16.268 6.239 ( 2.933 0.488 6.068) 6.758 6.633 ( 3.201 4.407 8.968) 10.492 6.959 ( -3.142 -5.562 12.969) 14.457 7.706 ( -10.052 -18.590 -3.281) 21.386 8.553 ( -22.481 7.053 -3.287) 23.789 9.222 ( 15.359 -14.540 0.834) 21.166 10.326 ( -3.579 -21.137 -7.443) 22.693 11.697 ( -6.185 6.448 -8.386) 12.253 12.926 ( -0.775 3.985 -2.703) 4.877 14.303 ( 8.362 18.257 -13.437) 24.162 15.437 ( 3.123 -7.686 -2.034) 8.542 15.986 ( 0.513 -2.024 -3.280) 3.888 18.995 ( -8.676 -11.111 23.426) 27.340 20.095 ( -2.578 -3.913 -2.108) 5.138 ======================= Grid point 298 (109/344) ======================= q-point: ( 0.60 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.713 ( 5.757 14.060 -0.421) 15.199 3.900 ( -3.953 13.097 0.887) 13.710 4.997 ( 12.580 -2.283 -9.257) 15.785 5.593 ( -6.075 16.113 0.931) 17.245 6.320 ( 2.978 -1.266 7.677) 8.331 6.705 ( -1.511 -0.020 7.056) 7.216 6.933 ( -1.739 -8.235 8.804) 12.180 7.354 ( -8.543 -5.359 -5.821) 11.644 8.259 ( -17.586 8.285 -5.990) 20.341 9.385 ( 12.167 -6.561 8.002) 15.972 10.084 ( 9.290 -29.001 -8.135) 31.521 11.648 ( -4.152 6.508 -3.610) 8.522 12.964 ( 1.575 2.976 0.808) 3.463 14.559 ( 3.329 20.244 -8.685) 22.279 15.418 ( 3.029 -4.151 -2.655) 5.785 15.951 ( 1.618 -5.485 -4.448) 7.245 18.796 ( -10.801 -9.259 14.814) 20.539 20.037 ( 0.035 -2.327 -1.161) 2.601 ======================= Grid point 299 (110/344) ======================= q-point: (-0.33 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.869 ( -13.426 15.294 0.703) 20.364 3.885 ( 1.615 3.234 -1.849) 4.060 5.130 ( 9.184 -3.155 -7.983) 12.571 5.619 ( -8.949 14.552 2.024) 17.203 6.334 ( -2.616 -3.967 7.766) 9.104 6.631 ( -10.049 -9.786 -0.377) 14.032 6.711 ( -3.325 -5.403 1.931) 6.632 7.384 ( 6.719 4.007 1.404) 7.948 8.101 ( -9.245 14.952 -7.482) 19.105 9.485 ( 1.810 -7.168 8.635) 11.367 10.074 ( 25.535 -26.522 -5.068) 37.164 11.657 ( -0.975 5.358 0.659) 5.486 13.042 ( 3.598 1.825 2.755) 4.885 14.740 ( -4.634 21.975 -3.931) 22.799 15.463 ( 7.821 -1.693 -4.982) 9.426 15.902 ( 2.697 -8.202 -4.738) 9.849 18.554 ( -12.382 -7.249 8.739) 16.800 20.035 ( 2.073 -1.339 -0.279) 2.484 ======================= Grid point 300 (111/344) ======================= q-point: (-0.27 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.675 ( -18.206 4.855 -0.130) 18.843 3.899 ( -6.434 5.392 -0.973) 8.451 5.166 ( 1.139 -3.046 -7.889) 8.533 5.595 ( -9.982 11.046 3.765) 15.357 6.209 ( -7.803 -3.081 4.126) 9.349 6.381 ( -3.980 -8.540 -3.287) 9.979 6.681 ( 1.501 -5.661 7.308) 9.365 7.505 ( 4.344 0.748 -3.231) 5.465 8.240 ( 4.072 25.555 -4.158) 26.210 9.409 ( 2.018 -16.154 3.923) 16.746 10.323 ( 25.800 -15.489 -1.419) 30.125 11.725 ( 2.893 3.049 3.525) 5.485 13.130 ( 3.803 0.086 2.203) 4.396 14.807 ( -10.679 20.324 -0.369) 22.962 15.619 ( 13.862 0.105 -11.620) 18.089 15.852 ( 2.693 -7.935 -0.935) 8.432 18.298 ( -13.081 -5.215 7.345) 15.883 20.075 ( 3.588 -0.699 -0.008) 3.655 ======================= Grid point 301 (112/344) ======================= q-point: (-0.20 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.351 ( -22.319 1.310 0.459) 22.362 3.757 ( -14.095 2.363 -0.655) 14.307 5.036 ( -10.535 -1.118 -5.907) 12.129 5.510 ( -10.410 3.964 3.053) 11.550 6.153 ( 3.811 -1.028 2.799) 4.839 6.251 ( -4.090 -3.877 -0.717) 5.681 6.705 ( 4.689 -4.959 6.374) 9.339 7.593 ( 7.419 2.468 -2.832) 8.316 8.632 ( 10.147 24.200 -1.156) 26.267 9.304 ( 5.402 -16.900 -0.252) 17.744 10.589 ( 19.151 -9.164 -1.357) 21.274 11.839 ( 6.645 0.097 3.226) 7.388 13.173 ( 1.031 -1.480 -0.290) 1.827 14.788 ( -9.622 11.852 -1.355) 15.326 15.744 ( 6.717 -3.224 -19.766) 21.124 15.925 ( 10.149 2.115 4.712) 11.388 18.068 ( -12.182 -3.408 12.915) 18.078 20.143 ( 4.849 -0.289 -0.058) 4.858 ======================= Grid point 302 (113/344) ======================= q-point: (-0.13 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.947 ( -24.982 0.053 1.517) 25.028 3.454 ( -21.192 -0.649 -1.255) 21.239 4.749 ( -21.778 3.414 -1.130) 22.073 5.338 ( -10.226 -2.628 0.005) 10.558 6.125 ( -8.479 0.493 -1.116) 8.566 6.338 ( 15.538 -0.242 2.236) 15.700 6.801 ( 9.262 -3.889 4.464) 10.992 7.840 ( 16.708 6.003 3.350) 18.067 8.903 ( 5.917 -5.056 -0.387) 7.792 9.363 ( 12.253 4.665 -3.118) 13.477 10.798 ( 12.751 -2.025 -1.572) 13.007 11.965 ( 8.190 -2.752 -0.566) 8.658 13.125 ( -4.176 -1.462 -2.911) 5.296 14.688 ( -4.937 -3.264 -9.592) 11.271 15.752 ( 2.326 2.825 -9.556) 10.233 16.149 ( 9.568 6.211 -9.696) 14.971 17.935 ( -7.877 -2.030 28.319) 29.464 20.235 ( 5.950 -0.203 -0.021) 5.953 ======================= Grid point 303 (114/344) ======================= q-point: (-0.07 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.520 ( -25.720 2.326 2.981) 25.996 3.009 ( -27.014 -2.692 -2.396) 27.253 4.362 ( -30.601 9.937 4.649) 32.508 5.126 ( -8.579 -4.855 -2.877) 10.269 5.947 ( -14.447 4.723 -1.142) 15.243 6.633 ( 17.530 -2.356 -2.655) 17.885 7.002 ( 18.484 -5.050 2.497) 19.323 8.304 ( 24.698 5.415 11.640) 27.835 8.840 ( 5.077 -15.316 -6.650) 17.453 9.653 ( 12.642 2.214 1.561) 12.929 11.014 ( 9.131 10.332 -3.272) 14.171 12.041 ( 5.831 -5.236 -5.759) 9.725 12.984 ( -9.569 0.488 -4.313) 10.507 14.476 ( -1.385 -15.289 -22.118) 26.923 15.813 ( 1.271 6.936 -2.935) 7.638 16.259 ( 1.938 7.168 -23.438) 24.586 18.008 ( 1.336 -0.898 50.681) 50.707 20.342 ( 6.777 -0.711 0.422) 6.828 ======================= Grid point 309 (115/344) ======================= q-point: ( 0.33 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.568 ( 0.000 14.134 8.021) 16.252 2.774 ( 0.000 20.837 4.489) 21.315 4.039 ( -0.000 27.613 -2.371) 27.715 5.097 ( -0.000 8.673 -3.174) 9.235 5.787 ( 0.000 21.056 2.912) 21.256 7.142 ( -0.000 -0.868 -1.194) 1.476 7.689 ( -0.000 -24.709 -8.628) 26.172 7.779 ( 0.000 -32.713 13.404) 35.353 8.667 ( -0.000 -31.657 -3.128) 31.812 9.808 ( 0.000 8.635 11.076) 14.045 11.692 ( -0.000 -3.897 -5.596) 6.820 11.907 ( -0.000 8.869 -23.352) 24.980 12.898 ( -0.000 12.234 -4.245) 12.950 13.341 ( -0.000 11.708 -32.005) 34.079 15.358 ( -0.000 -13.712 -1.121) 13.758 15.940 ( 0.000 3.584 0.588) 3.632 19.346 ( 0.000 -16.843 38.541) 42.061 20.494 ( 0.000 -10.266 4.313) 11.135 ======================= Grid point 310 (116/344) ======================= q-point: ( 0.40 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.755 ( 3.904 14.489 5.673) 16.042 3.076 ( 9.458 16.973 2.801) 19.631 4.297 ( 2.899 20.608 -5.737) 21.587 5.205 ( 3.730 8.977 -2.839) 10.128 6.026 ( 1.885 19.043 4.197) 19.591 6.936 ( -16.518 -10.635 1.604) 19.711 7.293 ( -5.953 -8.241 2.891) 10.570 7.815 ( 17.072 -29.979 7.881) 35.388 8.415 ( 9.349 -30.618 -6.136) 32.597 9.812 ( -13.935 9.932 8.756) 19.222 11.396 ( -22.256 -5.740 -7.672) 24.231 11.903 ( -0.653 7.821 -20.777) 22.210 12.999 ( -0.840 9.801 -4.700) 10.902 13.491 ( 14.883 10.959 -23.414) 29.830 15.253 ( 4.770 -14.633 -1.147) 15.434 15.983 ( 0.535 3.005 0.526) 3.097 19.304 ( -2.537 -14.246 33.227) 36.241 20.379 ( -3.115 -8.929 1.466) 9.570 ======================= Grid point 311 (117/344) ======================= q-point: ( 0.47 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.046 ( 9.623 15.867 3.172) 18.826 3.431 ( 12.513 13.172 2.167) 18.297 4.497 ( 3.935 12.623 -7.899) 15.401 5.383 ( 6.529 10.024 -1.752) 12.090 6.223 ( -0.454 12.082 3.307) 12.535 6.638 ( -7.028 -5.287 10.043) 13.349 7.171 ( -6.343 -1.994 4.502) 8.030 7.766 ( 6.215 -25.862 8.141) 27.816 8.349 ( 20.545 -29.423 -8.260) 36.825 9.613 ( -24.120 12.529 3.969) 27.468 10.866 ( -24.208 -9.882 -7.672) 27.249 11.876 ( -3.080 6.967 -15.745) 17.491 13.017 ( -3.737 6.461 -4.538) 8.735 13.831 ( 17.750 13.357 -18.172) 28.700 15.217 ( 7.930 -14.453 0.169) 16.487 16.011 ( -0.543 1.984 -0.115) 2.060 19.224 ( -4.563 -12.448 27.533) 30.559 20.233 ( -4.426 -6.566 -1.191) 8.008 ======================= Grid point 312 (118/344) ======================= q-point: ( 0.53 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.399 ( 10.795 15.731 0.974) 19.103 3.778 ( 12.003 11.201 2.951) 16.680 4.631 ( 5.144 5.082 -8.800) 11.390 5.604 ( 6.332 11.543 -0.492) 13.175 6.277 ( -2.197 4.425 5.165) 7.147 6.660 ( 2.347 3.268 11.328) 12.022 7.050 ( -7.279 -2.791 7.398) 10.747 7.598 ( -0.809 -19.484 1.116) 19.533 8.440 ( 22.901 -25.098 -4.859) 34.322 9.293 ( -26.334 12.519 0.936) 29.173 10.342 ( -18.671 -13.808 -7.111) 24.286 11.822 ( -4.744 6.516 -10.859) 13.524 12.990 ( -3.210 4.029 -2.482) 5.718 14.204 ( 15.216 15.446 -14.813) 26.258 15.235 ( 9.009 -12.274 2.257) 15.392 15.993 ( -2.757 0.317 -1.418) 3.117 19.101 ( -6.695 -10.989 20.496) 24.201 20.101 ( -3.539 -4.014 -2.164) 5.772 ======================= Grid point 313 (119/344) ======================= q-point: ( 0.60 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.705 ( 7.791 11.308 -0.411) 13.738 4.077 ( 5.453 14.071 3.964) 15.603 4.723 ( 8.573 -2.701 -8.880) 12.635 5.808 ( 1.922 13.720 0.576) 13.866 6.312 ( -0.331 1.614 6.387) 6.596 6.760 ( -0.047 2.061 5.473) 5.849 6.934 ( -4.470 -6.581 10.651) 13.295 7.385 ( -4.353 -9.131 -4.995) 11.282 8.507 ( 2.557 -9.739 -2.561) 10.389 9.095 ( -0.108 2.236 1.465) 2.675 9.892 ( -12.943 -16.302 -5.785) 21.604 11.770 ( -4.548 5.944 -6.250) 9.750 12.982 ( -0.728 2.393 0.020) 2.501 14.546 ( 12.086 15.552 -11.929) 23.027 15.300 ( 8.054 -6.757 4.263) 11.344 15.909 ( -4.382 -2.849 -3.156) 6.106 18.927 ( -8.881 -9.220 12.844) 18.134 20.020 ( -1.389 -2.119 -1.462) 2.925 ======================= Grid point 314 (120/344) ======================= q-point: ( 0.67 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.876 ( 3.078 4.288 -0.756) 5.333 4.230 ( -8.024 16.160 2.996) 18.289 4.840 ( 14.310 -6.250 -7.498) 17.322 5.925 ( -5.990 14.884 1.633) 16.127 6.326 ( 0.707 -4.227 5.794) 7.207 6.711 ( -7.041 -5.130 4.323) 9.725 6.764 ( -8.254 -7.123 -0.338) 10.908 7.340 ( 3.517 3.249 -0.321) 4.799 8.374 ( -9.442 6.649 -2.780) 11.878 9.328 ( 22.415 -4.745 3.846) 23.232 9.527 ( -6.060 -18.940 -4.580) 20.407 11.740 ( -2.975 4.473 -2.015) 5.737 13.013 ( 1.898 1.047 1.351) 2.554 14.842 ( 9.442 13.977 -8.727) 18.991 15.405 ( 3.936 2.394 4.916) 6.737 15.770 ( -2.522 -8.793 -4.635) 10.255 18.712 ( -10.527 -7.017 6.960) 14.439 19.996 ( 0.727 -1.034 -0.541) 1.375 ======================= Grid point 315 (121/344) ======================= q-point: (-0.27 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.889 ( -4.425 0.430 -0.558) 4.481 4.158 ( -13.821 8.423 1.247) 16.233 5.011 ( 11.000 -1.093 -5.761) 12.465 5.899 ( -11.523 8.598 2.519) 14.597 6.309 ( 0.868 -5.340 3.696) 6.552 6.417 ( -14.377 -4.618 -0.318) 15.104 6.658 ( -2.433 -3.561 2.997) 5.251 7.444 ( 3.798 1.671 -0.945) 4.255 8.402 ( 1.366 15.628 -2.353) 15.863 9.242 ( -3.816 -15.986 0.012) 16.435 9.744 ( 27.747 -5.390 -0.429) 28.269 11.740 ( -0.625 1.822 1.189) 2.264 13.070 ( 3.341 -0.293 0.733) 3.433 15.072 ( 2.653 12.678 -3.677) 13.465 15.460 ( -2.230 3.200 -6.609) 7.675 15.691 ( 7.255 -8.168 3.013) 11.333 18.484 ( -11.265 -4.696 4.882) 13.145 20.016 ( 2.373 -0.422 -0.211) 2.420 ======================= Grid point 316 (122/344) ======================= q-point: (-0.20 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.709 ( -16.527 0.331 0.341) 16.534 3.982 ( -11.090 -0.018 0.181) 11.092 5.114 ( 0.780 3.992 -4.852) 6.331 5.729 ( -12.110 -2.111 1.921) 12.442 6.165 ( -5.979 -3.599 -1.911) 7.236 6.326 ( -3.462 4.780 8.210) 10.111 6.618 ( 1.328 -4.081 2.412) 4.923 7.515 ( 4.448 1.776 -0.763) 4.850 8.623 ( 8.800 2.352 -1.039) 9.168 9.103 ( 1.311 -1.899 -0.983) 2.508 10.161 ( 24.070 -0.497 -2.849) 24.243 11.762 ( 2.298 -1.620 2.023) 3.464 13.116 ( 2.915 -1.448 -1.646) 3.647 15.037 ( -12.476 -0.627 -1.750) 12.614 15.503 ( 10.760 2.502 -16.127) 19.548 15.839 ( 7.438 3.749 8.998) 12.261 18.278 ( -10.667 -2.651 8.197) 13.711 20.065 ( 3.694 -0.057 -0.331) 3.709 ======================= Grid point 317 (123/344) ======================= q-point: (-0.13 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.363 ( -22.192 -0.823 1.412) 22.252 3.751 ( -14.854 -2.252 -1.122) 15.065 5.076 ( -9.889 7.609 -2.856) 12.801 5.475 ( -11.389 -7.521 0.226) 13.650 6.114 ( 2.041 -0.386 0.382) 2.112 6.355 ( -4.123 7.902 6.538) 11.054 6.645 ( 5.460 -4.045 2.509) 7.244 7.678 ( 10.902 4.698 3.852) 12.480 8.625 ( 6.875 -22.990 -1.314) 24.032 9.281 ( 7.790 14.392 -2.255) 16.520 10.554 ( 18.611 8.653 -4.320) 20.974 11.800 ( 5.363 -4.908 -0.472) 7.285 13.120 ( 0.656 -1.897 -4.861) 5.259 14.723 ( -12.151 -12.908 -7.250) 19.153 15.673 ( 7.998 7.223 -11.746) 15.941 16.052 ( 7.369 6.562 2.915) 10.289 18.144 ( -7.600 -1.173 18.736) 20.252 20.138 ( 4.826 0.006 -0.541) 4.856 ======================= Grid point 318 (124/344) ======================= q-point: (-0.07 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.970 ( -22.733 0.124 2.665) 22.889 3.407 ( -21.849 -0.777 -2.734) 22.033 4.917 ( -18.485 11.263 0.747) 21.659 5.206 ( -9.880 -7.770 -2.006) 12.728 6.155 ( -2.006 2.926 -0.502) 3.583 6.414 ( 3.241 5.320 1.685) 6.453 6.745 ( 9.202 -4.287 4.802) 11.230 8.022 ( 18.876 4.552 11.012) 22.322 8.493 ( 8.230 -23.023 -6.112) 25.202 9.507 ( 7.429 2.561 0.277) 7.863 10.959 ( 13.451 19.786 -5.244) 24.494 11.840 ( 6.968 -6.875 -5.390) 11.175 13.063 ( -2.588 -1.168 -7.686) 8.193 14.334 ( -9.501 -18.686 -11.707) 24.010 15.823 ( 4.407 7.914 -6.595) 11.204 16.202 ( 3.662 5.370 -10.942) 12.727 18.161 ( -0.762 -0.448 35.758) 35.769 20.226 ( 5.735 -0.499 -0.554) 5.783 ======================= Grid point 325 (125/344) ======================= q-point: ( 0.40 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.851 ( 0.000 9.448 4.856) 10.623 3.170 ( 0.000 16.511 1.092) 16.547 4.449 ( -0.000 17.211 -6.041) 18.241 5.237 ( -0.000 7.598 -3.648) 8.429 6.222 ( 0.000 18.433 4.391) 18.949 7.073 ( 0.000 -9.924 4.799) 11.024 7.190 ( -0.000 -19.866 -3.896) 20.245 7.387 ( 0.000 -12.474 9.839) 15.887 8.030 ( -0.000 -28.961 -3.284) 29.147 10.051 ( 0.000 6.682 10.760) 12.665 11.555 ( -0.000 -3.923 -8.108) 9.007 11.894 ( -0.000 7.888 -22.989) 24.305 13.073 ( -0.000 9.125 -6.022) 10.933 13.370 ( -0.000 8.365 -13.456) 15.845 15.055 ( -0.000 -14.696 -1.649) 14.788 16.009 ( 0.000 2.707 0.717) 2.800 19.306 ( 0.000 -12.793 28.001) 30.785 20.324 ( 0.000 -8.041 0.128) 8.042 ======================= Grid point 326 (126/344) ======================= q-point: ( 0.47 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.027 ( 8.228 9.303 3.309) 12.853 3.382 ( 6.659 12.418 0.370) 14.096 4.576 ( -0.050 12.322 -5.622) 13.544 5.344 ( 5.483 7.052 -3.542) 9.609 6.389 ( -2.034 12.665 2.906) 13.153 6.752 ( -9.911 -8.886 9.227) 16.197 7.228 ( 4.490 -5.095 0.079) 6.791 7.380 ( 9.129 -15.770 7.812) 19.825 7.792 ( 6.912 -26.627 -5.191) 27.995 10.052 ( -11.178 7.097 7.960) 15.449 11.214 ( -26.179 -5.034 -9.136) 28.181 11.910 ( 0.465 7.454 -17.582) 19.103 13.123 ( -2.263 6.446 -4.879) 8.395 13.573 ( 16.994 9.620 -10.251) 22.055 14.951 ( 5.000 -14.172 -0.185) 15.029 16.038 ( 0.012 2.043 0.467) 2.096 19.260 ( -2.375 -11.534 22.370) 25.280 20.226 ( -2.544 -6.009 -1.355) 6.665 ======================= Grid point 327 (127/344) ======================= q-point: ( 0.53 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.338 ( 13.626 11.203 1.572) 17.710 3.636 ( 11.407 6.267 0.849) 13.043 4.651 ( -0.770 7.937 -4.552) 9.182 5.536 ( 9.691 6.752 -2.666) 12.108 6.407 ( -4.346 4.034 5.368) 7.998 6.707 ( 0.336 2.546 9.751) 10.083 7.184 ( -6.208 -0.032 2.542) 6.708 7.380 ( 5.200 -16.629 2.729) 17.636 7.752 ( 21.212 -23.993 -4.615) 32.357 9.881 ( -21.328 10.457 4.706) 24.215 10.606 ( -29.225 -9.190 -8.079) 31.684 11.906 ( -2.374 6.631 -12.678) 14.503 13.094 ( -4.697 3.957 -2.400) 6.594 13.989 ( 20.371 12.898 -10.085) 26.135 14.940 ( 9.174 -13.840 3.217) 16.913 16.043 ( -1.760 1.246 -0.289) 2.176 19.162 ( -4.614 -10.263 15.749) 19.356 20.117 ( -3.433 -3.547 -1.878) 5.281 ======================= Grid point 328 (128/344) ======================= q-point: ( 0.60 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.671 ( 9.347 10.600 0.008) 14.132 3.935 ( 18.732 2.543 1.993) 19.008 4.669 ( -2.407 3.789 -3.269) 5.553 5.779 ( 11.031 6.526 -1.601) 12.917 6.410 ( -3.290 3.742 5.901) 7.723 6.779 ( 1.427 0.565 6.026) 6.218 7.049 ( -9.498 -2.256 3.650) 10.422 7.290 ( 1.838 -9.139 -2.826) 9.741 7.971 ( 27.531 -17.698 -0.850) 32.740 9.561 ( -29.654 12.462 3.101) 32.315 10.029 ( -20.400 -12.094 -6.300) 24.538 11.871 ( -3.731 5.465 -8.423) 10.711 13.043 ( -3.655 2.171 -0.011) 4.251 14.415 ( 15.888 14.929 -9.444) 23.759 15.021 ( 13.440 -12.256 6.777) 19.410 15.987 ( -5.363 0.273 -1.505) 5.577 19.014 ( -6.726 -8.595 8.635) 13.917 20.032 ( -2.600 -1.526 -1.234) 3.258 ======================= Grid point 329 (129/344) ======================= q-point: ( 0.67 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.853 ( 4.261 3.768 0.024) 5.688 4.342 ( 20.285 6.831 1.921) 21.491 4.607 ( -5.170 -1.509 -2.327) 5.867 6.016 ( 8.928 6.110 -0.928) 10.858 6.362 ( -6.621 -1.296 3.426) 7.566 6.787 ( -1.165 -2.337 0.651) 2.691 6.837 ( -10.647 -5.644 0.508) 12.061 7.296 ( 3.974 1.014 0.005) 4.101 8.286 ( 20.717 -7.332 0.235) 21.978 9.221 ( -16.288 5.750 1.787) 17.365 9.613 ( -15.198 -7.008 -2.595) 16.936 11.828 ( -3.667 3.669 -4.326) 6.754 13.019 ( -1.093 0.767 1.317) 1.876 14.749 ( 10.772 11.904 -6.263) 17.232 15.217 ( 16.510 -6.687 7.463) 19.313 15.846 ( -9.775 -0.527 -2.924) 10.216 18.828 ( -8.336 -6.430 2.797) 10.893 19.989 ( -0.954 -0.321 -0.356) 1.068 ======================= Grid point 330 (130/344) ======================= q-point: (-0.27 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.917 ( 1.010 0.393 0.072) 1.086 4.431 ( -10.972 -4.303 -0.104) 11.786 4.753 ( 17.564 6.932 0.037) 18.882 6.159 ( -9.294 4.551 0.065) 10.348 6.197 ( 3.307 -9.051 -0.136) 9.637 6.612 ( -9.581 -1.477 0.087) 9.695 6.716 ( -4.652 -0.867 0.054) 4.732 7.384 ( 3.787 0.171 -0.058) 3.791 8.449 ( 2.231 0.801 0.061) 2.372 9.244 ( 7.989 0.467 -3.741) 8.834 9.364 ( -2.540 0.959 3.944) 4.788 11.785 ( -2.803 0.922 -0.851) 3.071 13.027 ( 1.163 -0.434 0.946) 1.561 15.006 ( 9.957 7.529 -1.839) 12.617 15.450 ( 11.079 -10.010 2.897) 15.209 15.652 ( -9.637 7.280 -1.427) 12.161 18.627 ( -9.076 -4.092 -0.003) 9.956 19.987 ( 0.688 0.303 0.000) 0.752 ======================= Grid point 331 (131/344) ======================= q-point: (-0.20 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.898 ( -4.451 0.634 0.183) 4.499 4.149 ( -12.481 -9.518 0.369) 15.701 5.069 ( 9.410 8.529 -0.828) 12.727 5.880 ( -11.744 -11.202 0.656) 16.243 6.207 ( -1.884 -0.199 -2.659) 3.265 6.514 ( -4.962 4.990 4.934) 8.595 6.630 ( -5.448 1.405 1.594) 5.848 7.430 ( 4.578 -2.334 -2.033) 5.527 8.441 ( 2.085 -10.539 0.874) 10.779 9.213 ( -4.818 11.406 -1.628) 12.488 9.741 ( 25.684 7.910 -1.183) 26.900 11.741 ( -1.445 -2.509 0.929) 3.041 13.048 ( 2.137 -1.522 -1.082) 2.839 15.152 ( -5.183 -9.994 3.090) 11.675 15.336 ( 4.901 2.699 -10.440) 11.844 15.810 ( 6.673 9.992 6.316) 13.574 18.442 ( -8.686 -2.057 1.518) 9.054 20.016 ( 2.084 0.637 -0.166) 2.186 ======================= Grid point 332 (132/344) ======================= q-point: (-0.13 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.691 ( -17.714 -4.702 1.157) 18.364 3.906 ( -6.910 -4.133 -0.382) 8.061 5.218 ( -0.610 5.682 -2.929) 6.422 5.584 ( -9.905 -8.849 1.468) 13.363 6.156 ( -3.452 2.668 0.531) 4.395 6.542 ( 0.426 2.556 7.166) 7.620 6.576 ( -5.105 4.678 1.745) 7.141 7.527 ( 10.333 -1.283 -1.891) 10.582 8.317 ( 1.382 -19.828 2.331) 20.012 9.313 ( 2.667 10.321 -3.472) 11.211 10.301 ( 23.629 19.095 -3.392) 30.569 11.693 ( 0.583 -5.736 0.072) 5.766 13.053 ( 1.689 -2.532 -4.188) 5.177 14.782 ( -14.211 -18.258 -3.111) 23.345 15.552 ( 10.281 8.969 -6.912) 15.294 16.030 ( 5.568 7.660 4.554) 10.508 18.311 ( -6.499 -0.734 8.644) 10.840 20.068 ( 3.241 0.689 -0.565) 3.361 ======================= Grid point 333 (133/344) ======================= q-point: (-0.07 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.313 ( -18.652 -5.949 2.273) 19.709 3.719 ( -14.054 2.003 -2.226) 14.369 5.132 ( -5.849 -5.198 -4.367) 8.961 5.396 ( -11.641 5.002 1.810) 12.799 6.169 ( 0.323 3.813 2.898) 4.800 6.543 ( -3.521 3.739 -2.432) 5.683 6.628 ( 2.334 2.129 11.495) 11.921 7.764 ( 18.270 -0.555 0.586) 18.288 8.144 ( 2.263 -21.005 1.263) 21.164 9.431 ( 4.180 2.518 -2.271) 5.383 10.892 ( 18.686 26.548 -4.764) 32.812 11.654 ( 3.502 -7.499 -3.306) 8.913 13.019 ( 0.392 -3.588 -7.579) 8.394 14.324 ( -14.076 -19.743 -4.208) 24.610 15.773 ( 7.506 9.007 -7.113) 13.714 16.169 ( 2.622 4.080 -3.175) 5.797 18.288 ( -1.533 -0.395 21.490) 21.548 20.135 ( 4.133 0.214 -0.937) 4.244 ======================= Grid point 341 (134/344) ======================= q-point: ( 0.47 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.026 ( 0.000 5.234 2.694) 5.887 3.449 ( -0.000 11.003 -0.156) 11.004 4.671 ( -0.000 9.347 -3.415) 9.951 5.339 ( -0.000 5.580 -4.708) 7.301 6.537 ( 0.000 9.176 2.261) 9.450 6.848 ( 0.000 -13.020 1.527) 13.110 6.896 ( 0.000 -10.229 11.416) 15.328 7.351 ( 0.000 0.948 0.909) 1.314 7.485 ( -0.000 -22.257 -2.345) 22.381 10.215 ( 0.000 2.855 6.097) 6.732 11.441 ( -0.000 -1.488 -5.851) 6.037 11.891 ( -0.000 7.641 -18.312) 19.842 13.178 ( -0.000 6.265 -6.457) 8.997 13.460 ( -0.000 5.876 -2.019) 6.213 14.780 ( 0.000 -11.332 0.598) 11.348 16.057 ( 0.000 1.539 0.476) 1.611 19.243 ( 0.000 -10.568 16.422) 19.528 20.190 ( -0.000 -4.460 -1.569) 4.728 ======================= Grid point 342 (135/344) ======================= q-point: ( 0.53 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.181 ( 11.523 4.182 1.687) 12.374 3.578 ( 3.937 6.842 0.284) 7.899 4.732 ( -0.974 6.326 -1.152) 6.503 5.429 ( 6.555 4.493 -4.717) 9.242 6.530 ( -5.129 -0.317 6.345) 8.165 6.755 ( 0.244 1.315 3.409) 3.662 7.022 ( 14.906 -10.625 4.284) 18.800 7.303 ( 0.864 -11.656 -4.298) 12.454 7.337 ( -0.993 -4.694 2.724) 5.517 10.191 ( -6.875 2.330 2.322) 7.622 11.093 ( -31.323 -1.199 -4.338) 31.645 11.936 ( 1.205 6.777 -13.267) 14.947 13.194 ( -2.811 4.018 -3.492) 6.020 13.699 ( 19.763 6.985 -2.426) 21.101 14.721 ( 3.668 -9.142 3.988) 10.627 16.070 ( -0.273 0.944 0.070) 0.986 19.172 ( -2.317 -9.343 9.676) 13.649 20.130 ( -2.073 -2.412 -1.339) 3.451 ======================= Grid point 343 (136/344) ======================= q-point: ( 0.60 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.505 ( 19.694 4.151 0.499) 20.133 3.711 ( 6.176 1.253 0.980) 6.378 4.756 ( -2.270 3.849 1.239) 4.637 5.610 ( 11.381 3.111 -3.856) 12.413 6.493 ( -1.657 -1.604 6.187) 6.603 6.776 ( -0.035 -0.393 -1.091) 1.160 7.159 ( 1.918 -3.965 -2.154) 4.903 7.205 ( -4.154 0.852 1.933) 4.661 7.381 ( 20.738 -11.350 3.127) 23.847 10.058 ( -11.593 3.096 -0.597) 12.014 10.432 ( -39.381 -1.825 -1.285) 39.445 11.943 ( -2.141 5.378 -9.550) 11.167 13.143 ( -5.017 2.054 -0.172) 5.424 14.177 ( 24.569 10.031 -3.855) 26.816 14.746 ( 6.689 -8.638 8.544) 13.870 16.056 ( -2.359 0.463 -0.797) 2.532 19.051 ( -4.410 -7.686 2.729) 9.272 20.067 ( -2.865 -0.554 -0.599) 2.979 ======================= Grid point 344 (137/344) ======================= q-point: (-0.33 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.801 ( 4.675 0.746 0.977) 4.834 3.931 ( 24.610 -1.850 -1.058) 24.702 4.739 ( -4.372 2.601 4.191) 6.591 5.834 ( 12.867 0.551 -2.866) 13.193 6.443 ( -2.880 -4.794 1.709) 5.848 6.737 ( 0.155 -4.171 -5.480) 6.889 6.989 ( -10.828 -1.645 -4.696) 11.916 7.257 ( 2.821 2.516 5.195) 6.424 7.794 ( 28.324 0.838 3.459) 28.546 9.731 ( -31.105 -8.617 -1.853) 32.330 9.874 ( -19.416 10.701 2.483) 22.308 11.907 ( -3.557 3.446 -6.154) 7.900 13.078 ( -4.065 0.625 1.885) 4.524 14.660 ( 16.507 14.401 -4.281) 22.320 14.854 ( 13.959 -11.247 12.406) 21.800 15.982 ( -6.121 0.553 -1.866) 6.423 18.891 ( -6.007 -5.647 -3.186) 8.839 20.020 ( -2.388 0.684 0.192) 2.491 ======================= Grid point 345 (138/344) ======================= q-point: (-0.27 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.863 ( 4.063 -3.237 0.801) 5.256 4.255 ( 15.237 -9.764 -4.281) 18.597 4.744 ( 0.080 7.998 8.115) 11.394 6.004 ( 8.943 -6.143 -2.095) 11.050 6.304 ( -6.675 -4.918 -1.112) 8.366 6.685 ( 1.366 -2.160 -8.798) 9.161 6.773 ( -9.027 -1.611 -3.209) 9.715 7.350 ( 1.875 2.445 3.770) 4.869 8.311 ( 19.591 8.862 2.283) 21.623 9.208 ( -15.117 -7.154 0.525) 16.732 9.682 ( -16.665 12.524 3.224) 21.094 11.845 ( -3.929 0.750 -2.850) 4.911 13.035 ( -1.909 -0.441 2.412) 3.108 14.933 ( 6.741 4.548 7.457) 11.033 15.128 ( 17.958 -4.447 2.040) 18.612 15.859 ( -8.014 3.671 -2.001) 9.039 18.714 ( -6.755 -3.505 -6.752) 10.174 20.001 ( -1.218 1.345 0.575) 1.904 ======================= Grid point 346 (139/344) ======================= q-point: (-0.20 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.893 ( 3.280 -3.504 0.595) 4.837 4.174 ( -4.580 -15.702 -1.853) 16.461 4.992 ( 10.547 10.104 5.449) 15.590 5.901 ( -6.083 -15.766 -0.826) 16.919 6.214 ( 0.057 0.340 -3.114) 3.133 6.608 ( -5.608 0.746 -4.239) 7.070 6.722 ( 3.059 1.904 -4.269) 5.586 7.371 ( -2.121 -0.119 2.510) 3.288 8.431 ( -7.757 -2.871 1.802) 8.465 9.223 ( 12.540 0.939 -3.147) 12.963 9.665 ( -1.689 22.766 5.529) 23.489 11.763 ( -3.817 -2.512 -0.419) 4.589 13.017 ( -0.270 -1.293 1.405) 1.928 15.063 ( 3.333 -12.989 10.120) 16.800 15.275 ( 4.229 4.522 -4.966) 7.937 15.861 ( 1.408 10.032 1.751) 10.281 18.545 ( -6.457 -1.701 -6.861) 9.574 20.008 ( 0.106 1.670 0.475) 1.740 ======================= Grid point 347 (140/344) ======================= q-point: (-0.13 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.861 ( -10.603 -16.721 -0.102) 19.799 3.914 ( 0.545 -0.382 0.494) 0.829 5.224 ( 3.646 3.100 0.927) 4.874 5.635 ( -5.668 -9.718 1.232) 11.317 6.218 ( -0.137 1.837 -1.859) 2.617 6.534 ( -1.622 -0.362 -2.456) 2.965 6.784 ( -1.534 6.815 2.036) 7.276 7.338 ( 1.934 -3.148 -1.232) 3.894 8.226 ( -6.786 -10.855 2.300) 13.006 9.335 ( 2.013 3.176 -2.810) 4.694 10.155 ( 19.497 30.186 1.379) 35.961 11.661 ( -3.156 -5.450 0.245) 6.303 13.001 ( 0.066 -2.258 -0.634) 2.346 14.801 ( -10.816 -21.532 1.041) 24.118 15.473 ( 8.098 10.900 -0.707) 13.597 16.035 ( 4.730 7.941 2.978) 9.711 18.414 ( -4.800 -0.715 -2.404) 5.415 20.039 ( 1.281 1.716 0.059) 2.142 ======================= Grid point 348 (141/344) ======================= q-point: (-0.07 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.501 ( -12.828 -12.799 0.958) 18.146 3.898 ( -4.247 2.310 -0.863) 4.911 5.131 ( -5.560 -9.989 -1.715) 11.560 5.586 ( -2.379 5.836 0.403) 6.315 6.233 ( -0.800 3.167 1.598) 3.636 6.521 ( 1.028 -0.702 -0.148) 1.254 6.813 ( -5.433 7.989 8.229) 12.691 7.411 ( 13.102 -5.375 -5.870) 15.330 8.014 ( -4.391 -13.324 2.580) 14.264 9.392 ( 2.330 2.464 -1.496) 3.706 10.827 ( 20.367 31.925 -1.896) 37.916 11.555 ( -1.406 -6.871 -1.023) 7.088 12.958 ( -0.897 -4.093 -3.054) 5.185 14.359 ( -13.887 -21.287 -0.885) 25.432 15.716 ( 7.556 10.695 -2.875) 13.407 16.161 ( 2.011 3.508 -0.567) 4.083 18.361 ( -1.104 -0.807 7.210) 7.339 20.084 ( 2.147 1.266 -0.457) 2.534 ======================= Grid point 357 (142/344) ======================= q-point: ( 0.53 0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.104 ( 0.000 1.110 1.138) 1.590 3.606 ( 0.000 4.237 1.186) 4.399 4.793 ( 0.000 3.747 1.621) 4.082 5.387 ( -0.000 3.235 -5.856) 6.690 6.615 ( 0.000 -3.729 5.326) 6.502 6.697 ( 0.000 -5.097 6.632) 8.364 6.838 ( -0.000 0.033 -3.713) 3.713 7.164 ( 0.000 -8.609 3.323) 9.228 7.374 ( -0.000 0.862 -1.535) 1.760 10.249 ( -0.000 -0.872 -2.139) 2.310 11.420 ( 0.000 1.298 0.511) 1.395 11.923 ( -0.000 7.045 -12.240) 14.122 13.237 ( -0.000 4.285 -5.154) 6.703 13.546 ( 0.000 1.738 2.760) 3.262 14.652 ( 0.000 -3.637 7.480) 8.317 16.078 ( 0.000 0.373 0.056) 0.377 19.128 ( 0.000 -8.088 2.824) 8.567 20.128 ( -0.000 -0.847 -0.660) 1.074 ======================= Grid point 358 (143/344) ======================= q-point: (-0.40 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.221 ( 12.690 -0.928 0.278) 12.727 3.660 ( 2.603 0.365 2.166) 3.406 4.820 ( -0.964 1.362 4.123) 4.448 5.452 ( 6.880 1.786 -5.596) 9.047 6.502 ( -3.766 -6.253 2.653) 7.767 6.765 ( 0.638 -0.609 -2.452) 2.605 6.949 ( 16.368 0.608 2.733) 16.605 7.141 ( 0.527 -0.069 4.260) 4.293 7.331 ( -4.303 -0.200 -1.382) 4.524 10.175 ( -4.984 -2.263 -5.832) 7.999 11.111 ( -32.739 2.987 3.507) 33.061 11.976 ( 0.725 5.578 -9.003) 10.616 13.238 ( -3.080 2.230 -1.113) 3.962 13.785 ( 22.983 1.661 1.206) 23.075 14.686 ( 1.323 0.089 11.947) 12.020 16.077 ( -0.405 -0.117 -0.430) 0.602 19.034 ( -2.113 -6.428 -4.061) 7.892 20.109 ( -1.867 0.710 0.028) 1.997 ======================= Grid point 359 (144/344) ======================= q-point: (-0.33 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.491 ( 20.106 -5.292 -0.775) 20.805 3.722 ( 5.041 -1.613 2.159) 5.716 4.820 ( -1.674 -0.589 6.669) 6.901 5.602 ( 11.277 -0.672 -4.561) 12.183 6.394 ( -1.327 -6.891 -2.159) 7.343 6.696 ( -2.374 -4.639 -6.739) 8.519 7.120 ( -6.017 0.497 -3.795) 7.131 7.263 ( 3.215 -0.812 3.803) 5.046 7.427 ( 21.434 14.971 7.243) 27.129 9.962 ( -13.196 -6.765 -7.312) 16.534 10.550 ( -36.249 8.264 7.196) 37.869 11.973 ( -2.691 3.743 -6.761) 8.182 13.175 ( -5.201 0.364 2.130) 5.632 14.275 ( 28.796 -0.046 2.493) 28.904 14.785 ( 2.100 4.302 13.985) 14.781 16.049 ( -2.329 -0.227 -1.377) 2.715 18.900 ( -3.803 -4.552 -10.118) 11.729 20.082 ( -2.811 1.888 0.600) 3.439 ======================= Grid point 360 (145/344) ======================= q-point: (-0.27 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.679 ( 10.719 -11.890 0.344) 16.012 3.887 ( 15.036 -3.117 -1.377) 15.418 4.821 ( -0.130 -0.061 9.308) 9.309 5.761 ( 10.766 -5.321 -3.266) 12.446 6.292 ( -1.750 -6.775 -3.700) 7.916 6.580 ( 0.159 -5.285 -10.216) 11.503 6.929 ( -11.133 -0.482 -6.265) 12.783 7.371 ( 3.132 5.650 3.798) 7.494 8.057 ( 25.447 19.549 5.769) 32.604 9.501 ( -24.758 -10.705 -2.234) 27.066 10.177 ( -23.043 13.902 6.332) 27.647 11.916 ( -4.417 1.510 -4.207) 6.284 13.098 ( -4.379 -0.732 3.820) 5.857 14.707 ( 20.729 -9.672 11.461) 25.585 14.974 ( 6.201 12.752 7.099) 15.858 15.983 ( -4.486 1.108 -2.103) 5.077 18.741 ( -4.702 -2.740 -14.471) 15.461 20.058 ( -2.691 2.582 0.952) 3.849 ======================= Grid point 361 (146/344) ======================= q-point: (-0.20 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.714 ( 8.361 -12.478 0.141) 15.021 4.004 ( 5.933 -11.929 -2.085) 13.486 4.939 ( 7.756 4.014 9.428) 12.851 5.781 ( 1.831 -13.299 -1.918) 13.561 6.186 ( -0.815 -3.748 -3.757) 5.369 6.565 ( 7.242 -2.590 -11.287) 13.658 6.723 ( -9.097 0.802 -6.791) 11.381 7.476 ( -1.272 8.059 2.845) 8.640 8.575 ( 1.550 10.732 2.953) 11.238 9.081 ( -3.100 -2.202 0.415) 3.825 10.045 ( -12.709 18.527 6.741) 23.456 11.820 ( -5.429 -1.233 -1.631) 5.802 13.043 ( -2.714 -1.224 4.288) 5.220 14.868 ( 7.498 -16.037 14.095) 22.629 15.255 ( 6.893 12.426 2.361) 14.405 15.945 ( -1.350 5.457 -0.760) 5.672 18.580 ( -4.515 -1.328 -16.199) 16.869 20.050 ( -1.850 2.910 1.028) 3.598 ======================= Grid point 362 (147/344) ======================= q-point: (-0.13 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.705 ( 4.922 -16.791 -1.060) 17.530 3.900 ( -0.497 -9.248 0.624) 9.282 5.168 ( 7.591 2.036 5.561) 9.628 5.594 ( -2.858 -13.118 -0.148) 13.426 6.180 ( 3.181 -0.306 -3.722) 4.905 6.573 ( -3.654 -1.051 -3.171) 4.951 6.681 ( 8.989 0.965 -11.642) 14.740 7.489 ( -8.852 9.051 4.658) 13.490 8.331 ( -15.861 -8.049 0.019) 17.787 9.290 ( 7.221 6.573 0.220) 9.767 10.249 ( 7.031 29.641 5.713) 30.994 11.694 ( -5.823 -3.711 0.266) 6.911 13.006 ( -1.981 -1.545 3.877) 4.620 14.732 ( -5.167 -21.725 5.744) 23.058 15.485 ( 5.137 12.135 4.676) 13.982 16.045 ( 3.718 6.897 1.585) 7.994 18.444 ( -3.122 -0.775 -14.150) 14.511 20.060 ( -0.802 2.939 0.836) 3.160 ======================= Grid point 373 (148/344) ======================= q-point: (-0.40 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.087 ( -0.000 -3.160 -0.277) 3.172 3.632 ( 0.000 -3.704 3.461) 5.069 4.849 ( 0.000 -1.324 6.381) 6.517 5.382 ( -0.000 0.806 -6.055) 6.109 6.522 ( -0.000 -3.302 -2.448) 4.111 6.745 ( 0.000 3.343 10.422) 10.945 6.789 ( -0.000 -3.863 -7.476) 8.415 7.201 ( 0.000 8.706 5.190) 10.136 7.358 ( -0.000 -0.328 -2.154) 2.179 10.162 ( -0.000 -3.234 -9.007) 9.570 11.488 ( 0.000 2.727 5.722) 6.339 11.983 ( -0.000 6.012 -7.030) 9.250 13.279 ( -0.000 2.534 -1.598) 2.996 13.566 ( 0.000 -1.523 3.664) 3.968 14.755 ( 0.000 4.050 16.912) 17.390 16.073 ( -0.000 -0.722 -0.337) 0.797 18.967 ( -0.000 -4.787 -10.920) 11.923 20.141 ( 0.000 2.034 0.385) 2.070 ======================= Grid point 374 (149/344) ======================= q-point: (-0.33 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.147 ( 11.704 -6.110 -1.114) 13.250 3.616 ( 3.255 -7.329 3.688) 8.827 4.843 ( -0.563 -4.171 8.237) 9.250 5.418 ( 6.361 -0.998 -5.368) 8.383 6.416 ( -6.562 0.301 -3.318) 7.359 6.648 ( -2.657 -8.347 -6.580) 10.956 7.041 ( 15.689 6.239 6.950) 18.258 7.250 ( -4.163 0.903 -6.208) 7.528 7.435 ( 4.996 16.431 7.942) 18.921 10.036 ( -6.042 -5.068 -10.101) 12.814 11.240 ( -29.673 5.038 7.417) 30.998 12.020 ( -0.746 4.272 -5.664) 7.133 13.263 ( -3.520 -0.366 1.989) 4.059 13.807 ( 23.905 -0.408 4.718) 24.370 14.884 ( 0.702 6.581 19.771) 20.849 16.059 ( -0.402 -1.090 -0.824) 1.424 18.858 ( -1.836 -3.022 -17.195) 17.555 20.152 ( -1.884 3.142 0.537) 3.703 ======================= Grid point 375 (150/344) ======================= q-point: (-0.27 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.302 ( 15.089 -12.347 -1.532) 19.557 3.647 ( 8.675 -8.140 2.076) 12.076 4.819 ( 0.626 -6.303 9.657) 11.549 5.518 ( 9.399 -4.333 -4.111) 11.136 6.299 ( -6.028 0.511 -3.428) 6.953 6.487 ( -1.485 -9.062 -8.959) 12.829 7.082 ( -9.341 -0.453 -6.904) 11.624 7.361 ( 7.903 9.181 2.524) 12.374 7.911 ( 19.719 25.503 8.043) 33.225 9.748 ( -16.054 -8.782 -6.373) 19.377 10.791 ( -30.107 9.371 7.421) 32.393 11.994 ( -3.806 2.638 -4.158) 6.223 13.185 ( -4.804 -2.050 4.057) 6.614 14.274 ( 25.301 -3.389 10.451) 27.584 15.063 ( 2.514 9.776 17.594) 20.284 16.028 ( -1.539 -0.624 -1.643) 2.336 18.717 ( -3.104 -1.499 -22.322) 22.587 20.146 ( -3.021 3.858 0.657) 4.944 ======================= Grid point 376 (151/344) ======================= q-point: (-0.20 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.375 ( 11.956 -17.572 -1.258) 21.291 3.741 ( 10.400 -11.221 -0.029) 15.299 4.850 ( 6.486 -5.086 9.630) 12.676 5.581 ( 6.043 -10.169 -2.472) 12.085 6.186 ( -4.660 -1.406 -2.164) 5.327 6.393 ( 3.350 -3.970 -10.736) 11.927 6.877 ( -10.375 0.947 -7.928) 13.092 7.568 ( 2.848 13.220 -0.626) 13.538 8.562 ( 18.792 24.409 4.825) 31.181 9.288 ( -21.746 -8.964 0.550) 23.528 10.500 ( -18.713 13.043 6.054) 23.600 11.914 ( -6.102 1.040 -1.745) 6.432 13.104 ( -3.679 -2.419 5.505) 7.049 14.604 ( 13.368 -10.884 16.223) 23.672 15.301 ( 5.270 12.414 11.262) 17.570 16.000 ( -0.928 1.962 -1.176) 2.469 18.558 ( -3.313 -0.509 -25.624) 25.842 20.134 ( -3.143 4.186 0.823) 5.299 ======================= Grid point 377 (152/344) ======================= q-point: (-0.13 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.382 ( 10.444 -18.948 -1.767) 21.707 3.738 ( 5.260 -14.957 0.960) 15.884 5.020 ( 12.439 -2.622 6.733) 14.385 5.483 ( -0.968 -14.705 -0.813) 14.759 6.132 ( -0.054 1.065 -2.677) 2.882 6.435 ( 8.311 -2.099 -7.719) 11.535 6.707 ( -7.737 3.264 -7.992) 11.593 7.714 ( -2.233 15.258 -2.310) 15.592 8.608 ( -22.565 -6.809 1.781) 23.638 9.252 ( 9.093 14.421 2.639) 17.252 10.492 ( -2.166 20.613 6.413) 21.696 11.794 ( -7.777 -0.440 0.967) 7.849 13.053 ( -2.447 -1.854 6.598) 7.277 14.614 ( -1.287 -18.448 11.904) 21.994 15.552 ( 4.687 11.929 9.057) 15.694 16.055 ( 2.838 5.153 1.736) 6.133 18.406 ( -2.191 -0.406 -25.932) 26.027 20.130 ( -2.559 4.171 0.958) 4.987 ======================= Grid point 389 (153/344) ======================= q-point: (-0.33 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.971 ( -0.000 -7.661 -1.886) 7.889 3.499 ( 0.000 -12.627 4.207) 13.309 4.818 ( 0.000 -8.435 9.010) 12.342 5.329 ( -0.000 -1.858 -5.085) 5.414 6.471 ( -0.000 -7.495 -2.815) 8.006 6.621 ( -0.000 4.364 -11.995) 12.764 6.987 ( 0.000 11.937 12.848) 17.538 7.262 ( -0.000 -1.363 -7.190) 7.318 7.607 ( 0.000 21.061 7.913) 22.499 9.995 ( -0.000 -5.110 -12.127) 13.160 11.599 ( 0.000 3.211 6.992) 7.694 12.050 ( -0.000 4.569 -3.723) 5.894 13.288 ( 0.000 -3.226 2.747) 4.237 13.600 ( 0.000 2.908 6.582) 7.195 15.032 ( 0.000 6.921 24.524) 25.481 16.045 ( -0.000 -1.766 -0.527) 1.842 18.775 ( -0.000 -1.271 -23.916) 23.950 20.208 ( -0.000 4.243 0.161) 4.246 ======================= Grid point 390 (154/344) ======================= q-point: (-0.27 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.957 ( 9.081 -11.600 -2.611) 14.962 3.414 ( 5.502 -15.318 3.142) 16.577 4.746 ( 0.711 -13.131 8.786) 15.815 5.332 ( 5.195 -3.881 -4.171) 7.710 6.323 ( -0.848 -14.726 -2.719) 14.999 6.554 ( -11.902 13.397 -7.952) 19.605 7.174 ( -5.005 -0.865 -7.989) 9.467 7.325 ( 11.774 16.196 6.741) 21.128 7.948 ( 9.708 26.368 8.035) 29.224 9.835 ( -6.982 -6.874 -10.356) 14.256 11.398 ( -25.760 4.806 6.474) 26.993 12.062 ( -2.038 3.233 -2.948) 4.827 13.230 ( -2.415 -5.487 3.356) 6.871 13.892 ( 21.140 3.562 11.971) 24.554 15.205 ( 0.739 7.402 25.454) 26.519 16.023 ( -0.070 -1.866 -0.802) 2.032 18.652 ( -1.675 0.215 -29.916) 29.963 20.236 ( -1.987 4.999 -0.157) 5.382 ======================= Grid point 391 (155/344) ======================= q-point: (-0.20 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.980 ( 11.079 -18.171 -2.590) 21.439 3.419 ( 11.220 -15.688 1.116) 19.319 4.676 ( 5.509 -15.542 7.241) 18.009 5.371 ( 6.236 -7.611 -2.628) 10.185 6.169 ( 0.960 -12.905 -1.303) 13.006 6.449 ( -11.746 12.705 -5.767) 18.239 7.026 ( -8.473 1.755 -8.503) 12.131 7.661 ( 4.792 19.404 -0.078) 19.987 8.519 ( 18.306 28.577 5.846) 34.437 9.532 ( -15.465 -8.590 -2.652) 17.888 11.004 ( -25.392 6.736 3.981) 26.571 12.027 ( -4.653 2.806 -0.730) 5.483 13.140 ( -2.458 -5.968 4.304) 7.758 14.331 ( 17.737 -1.566 18.677) 25.805 15.399 ( 2.546 8.567 20.328) 22.206 16.009 ( 0.496 -0.249 -0.040) 0.557 18.497 ( -2.667 0.992 -34.779) 34.896 20.241 ( -3.263 5.339 -0.150) 6.259 ======================= Grid point 392 (156/344) ======================= q-point: (-0.13 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.971 ( 12.294 -20.927 -2.585) 24.409 3.439 ( 9.569 -19.092 1.161) 21.388 4.723 ( 14.732 -13.404 3.575) 20.236 5.339 ( 1.609 -12.040 -0.157) 12.148 6.113 ( 4.282 -6.947 0.641) 8.186 6.378 ( -6.310 9.859 -4.899) 12.689 6.869 ( -9.482 4.858 -7.351) 12.944 7.893 ( -0.196 21.336 -5.706) 22.087 8.897 ( -11.225 0.657 0.660) 11.263 9.312 ( 1.644 14.186 5.542) 15.319 10.771 ( -10.248 10.527 3.187) 15.033 11.950 ( -7.612 2.586 2.335) 8.372 13.075 ( -0.544 -4.955 5.790) 7.640 14.520 ( 1.539 -10.917 19.630) 22.514 15.617 ( 4.770 9.297 11.990) 15.904 16.062 ( 2.997 3.552 5.230) 6.996 18.324 ( -2.238 0.746 -37.505) 37.579 20.234 ( -3.561 5.271 0.174) 6.364 ======================= Grid point 405 (157/344) ======================= q-point: (-0.27 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.747 ( -0.000 -12.644 -3.824) 13.210 3.191 ( 0.000 -20.487 2.601) 20.651 4.597 ( 0.000 -20.857 6.622) 21.883 5.232 ( -0.000 -4.400 -3.687) 5.740 6.152 ( -0.000 -17.505 -1.098) 17.540 6.860 ( -0.000 22.896 -11.220) 25.498 7.184 ( -0.000 1.717 -9.714) 9.864 7.409 ( 0.000 19.542 14.378) 24.262 8.161 ( 0.000 27.409 7.778) 28.491 9.785 ( -0.000 -6.425 -11.974) 13.589 11.706 ( 0.000 2.609 4.760) 5.428 12.099 ( -0.000 2.273 -2.248) 3.196 13.179 ( 0.000 -9.432 2.974) 9.890 13.811 ( 0.000 9.451 15.731) 18.352 15.371 ( 0.000 5.512 30.609) 31.102 15.996 ( -0.000 -2.686 -0.383) 2.713 18.551 ( -0.000 1.946 -37.072) 37.123 20.307 ( -0.000 5.820 -0.978) 5.902 ======================= Grid point 406 (158/344) ======================= q-point: (-0.20 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.638 ( 5.436 -17.739 -4.269) 19.038 3.058 ( 8.798 -21.409 0.786) 23.159 4.402 ( 3.848 -26.624 3.742) 27.160 5.204 ( 3.681 -6.114 -2.641) 7.610 5.989 ( 1.614 -16.844 1.194) 16.963 6.865 ( -16.000 18.117 -5.031) 24.689 7.153 ( -5.727 9.426 -9.575) 14.605 7.784 ( 7.861 24.161 6.203) 26.154 8.570 ( 11.014 29.317 6.517) 31.988 9.622 ( -6.367 -7.050 -7.249) 11.949 11.502 ( -23.501 1.875 1.707) 23.637 12.106 ( -1.027 2.240 -0.129) 2.467 13.088 ( 0.084 -10.761 2.437) 11.034 14.141 ( 15.113 8.324 21.566) 27.619 15.537 ( -0.060 4.158 29.466) 29.758 15.981 ( 1.563 -2.015 1.199) 2.818 18.408 ( -1.815 2.987 -43.652) 43.792 20.344 ( -2.078 6.204 -1.340) 6.678 ======================= Grid point 407 (159/344) ======================= q-point: (-0.13 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.542 ( 9.639 -22.656 -3.943) 24.935 3.042 ( 12.332 -22.277 0.353) 25.465 4.280 ( 13.531 -26.464 -0.034) 29.722 5.190 ( 3.206 -8.819 -0.364) 9.391 5.904 ( 6.231 -13.819 2.077) 15.301 6.725 ( -15.784 14.257 -1.477) 21.321 7.096 ( -10.913 13.616 -5.927) 18.429 8.121 ( 0.423 27.077 -2.793) 27.224 9.019 ( 2.304 12.934 -3.030) 13.483 9.468 ( -1.810 6.936 7.558) 10.416 11.103 ( -20.379 2.300 -1.070) 20.537 12.097 ( -4.019 2.988 2.985) 5.830 13.002 ( 1.889 -10.488 2.978) 11.066 14.494 ( 5.666 0.525 26.252) 26.862 15.671 ( 1.890 3.910 14.556) 15.190 16.056 ( 4.872 1.707 12.495) 13.519 18.220 ( -2.726 2.725 -49.050) 49.201 20.352 ( -3.460 6.120 -1.073) 7.111 ======================= Grid point 421 (160/344) ======================= q-point: (-0.20 -0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.401 ( -0.000 -18.333 -5.886) 19.255 2.727 ( 0.000 -26.270 -0.728) 26.280 4.058 ( 0.000 -35.392 0.859) 35.403 5.103 ( -0.000 -5.974 -2.434) 6.451 5.803 ( 0.000 -18.478 3.698) 18.844 7.077 ( -0.000 4.270 -6.538) 7.809 7.450 ( -0.000 34.781 -14.311) 37.610 7.965 ( 0.000 24.260 14.395) 28.209 8.796 ( 0.000 29.697 7.453) 30.618 9.575 ( -0.000 -6.082 -8.820) 10.714 11.759 ( 0.000 0.421 0.231) 0.480 12.099 ( -0.000 -1.069 -1.349) 1.721 12.966 ( 0.000 -13.519 1.543) 13.607 14.200 ( 0.000 13.428 25.227) 28.578 15.698 ( 0.000 0.834 38.326) 38.335 15.934 ( 0.000 -3.286 0.087) 3.287 18.283 ( -0.000 4.763 -52.367) 52.583 20.421 ( -0.000 6.639 -2.111) 6.967 ======================= Grid point 422 (161/344) ======================= q-point: (-0.13 -0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.181 ( 2.351 -23.912 -5.905) 24.742 2.578 ( 12.456 -25.878 -1.969) 28.787 3.749 ( 8.958 -38.373 -1.603) 39.437 5.057 ( 2.478 -6.876 -1.249) 7.415 5.665 ( 3.956 -17.827 4.046) 18.704 7.026 ( -7.937 5.974 -4.827) 11.045 7.571 ( -17.621 32.945 -5.526) 37.768 8.361 ( 5.848 28.650 4.268) 29.550 9.132 ( -0.512 18.742 -2.715) 18.944 9.526 ( 4.780 4.867 4.951) 8.429 11.489 ( -23.278 -2.286 -3.588) 23.664 12.138 ( 2.989 -0.143 1.660) 3.422 12.841 ( 1.987 -15.026 0.924) 15.185 14.535 ( 7.799 11.279 28.919) 32.005 15.761 ( -4.350 -2.004 18.431) 19.043 16.014 ( 7.845 -1.263 22.534) 23.894 18.098 ( -2.427 5.157 -60.936) 61.202 20.460 ( -2.143 6.577 -2.090) 7.226 ======================= Grid point 437 (162/344) ======================= q-point: (-0.13 -0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( -0.000 -24.337 -7.318) 25.414 2.135 ( -0.000 -30.546 -5.048) 30.961 3.230 ( 0.000 -46.065 -1.153) 46.079 4.964 ( -0.000 -6.115 -1.584) 6.317 5.456 ( 0.000 -19.179 4.429) 19.683 7.130 ( -0.000 5.925 -5.190) 7.877 8.133 ( -0.000 42.357 -13.660) 44.506 8.548 ( 0.000 22.695 9.303) 24.528 9.445 ( 0.000 29.252 6.773) 30.026 9.445 ( -0.000 -1.642 -0.377) 1.685 11.716 ( -0.000 -3.013 -5.028) 5.861 12.031 ( 0.000 -5.228 -0.050) 5.229 12.661 ( 0.000 -17.416 -0.274) 17.418 14.710 ( 0.000 16.389 28.635) 32.993 15.869 ( 0.000 -3.379 0.624) 3.436 15.990 ( 0.000 -6.546 55.580) 55.964 17.929 ( -0.000 6.884 -73.903) 74.222 20.537 ( -0.000 6.540 -2.327) 6.942 ======================= Grid point 486 (163/344) ======================= q-point: ( 0.13 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( 0.000 -0.000 32.604) 32.604 0.766 ( 0.000 -0.000 32.604) 32.604 1.216 ( 0.000 -0.000 51.735) 51.735 4.682 ( -0.000 0.000 -4.206) 4.206 4.682 ( -0.000 0.000 -4.206) 4.206 8.957 ( -0.000 0.000 -11.832) 11.832 8.983 ( 0.000 -0.000 0.861) 0.861 8.983 ( 0.000 -0.000 0.861) 0.861 9.912 ( -0.000 0.000 -10.439) 10.439 9.912 ( -0.000 -0.000 -10.439) 10.439 11.410 ( -0.000 0.000 -5.668) 5.668 11.454 ( 0.000 -0.000 7.871) 7.871 11.454 ( 0.000 -0.000 7.871) 7.871 11.721 ( 0.000 -0.000 6.323) 6.323 15.743 ( -0.000 0.000 -0.426) 0.426 15.743 ( -0.000 0.000 -0.426) 0.426 20.781 ( 0.000 -0.000 1.635) 1.635 22.573 ( 0.000 -0.000 0.381) 0.381 ======================= Grid point 487 (164/344) ======================= q-point: ( 0.20 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( 14.868 8.584 24.602) 30.000 1.061 ( 11.493 6.636 29.063) 31.950 1.856 ( 33.133 19.129 34.380) 51.437 4.676 ( 1.645 0.950 -5.158) 5.497 4.789 ( 9.644 5.568 -3.958) 11.819 7.635 ( -29.844 -17.230 14.584) 37.420 8.864 ( -5.782 -3.338 -3.050) 7.340 9.318 ( -31.451 -18.158 -13.091) 38.604 10.067 ( 3.719 2.147 -1.834) 4.669 10.569 ( 8.579 4.953 -13.494) 16.740 11.211 ( 18.671 10.780 -31.085) 37.830 11.344 ( -4.112 -2.374 3.287) 5.774 11.888 ( 10.813 6.243 4.214) 13.177 12.509 ( 55.800 32.216 -41.869) 76.841 15.755 ( 2.017 1.164 -1.226) 2.632 15.773 ( 2.081 1.202 -0.061) 2.404 20.636 ( -20.015 -11.556 11.961) 26.023 21.326 ( -59.616 -34.419 62.067) 92.688 ======================= Grid point 488 (165/344) ======================= q-point: ( 0.27 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( 18.921 10.924 17.839) 28.206 1.531 ( 19.736 11.394 16.232) 27.979 2.790 ( 36.874 21.289 19.793) 46.954 4.713 ( 3.153 1.820 -5.618) 6.694 5.082 ( 16.066 9.276 -2.055) 18.665 7.195 ( -14.795 -8.542 1.134) 17.121 8.481 ( -34.867 -20.131 -9.041) 41.264 8.692 ( -7.570 -4.370 -6.422) 10.847 10.065 ( -4.668 -2.695 8.369) 9.955 10.245 ( -21.754 -12.560 3.714) 25.392 11.308 ( 1.153 0.666 -3.537) 3.779 11.528 ( 12.478 7.204 -30.914) 34.107 12.206 ( 14.995 8.657 -0.268) 17.317 13.277 ( 26.984 15.579 -51.442) 60.142 15.815 ( 3.548 2.048 -4.816) 6.323 15.833 ( 2.958 1.708 0.305) 3.429 19.990 ( -34.969 -20.189 57.717) 70.439 20.823 ( -12.796 -7.388 18.825) 23.931 ======================= Grid point 489 (166/344) ======================= q-point: ( 0.33 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.037 ( 19.018 10.980 11.340) 24.715 2.043 ( 22.205 12.820 8.676) 27.068 3.668 ( 33.732 19.475 8.894) 39.953 4.770 ( 3.387 1.955 -5.513) 6.759 5.486 ( 18.416 10.633 0.707) 21.277 6.885 ( -11.693 -6.751 -5.714) 14.662 7.727 ( -27.449 -15.848 0.721) 31.703 8.465 ( -9.480 -5.473 -8.573) 13.905 9.714 ( -24.903 -14.378 2.990) 28.910 9.945 ( -8.706 -5.026 14.581) 17.710 11.361 ( 4.861 2.806 -7.656) 9.493 11.578 ( 2.489 1.437 -26.452) 26.608 12.527 ( 12.658 7.308 -4.831) 15.394 13.512 ( 10.280 5.935 -35.191) 37.139 15.856 ( 2.134 1.232 -10.269) 10.561 15.905 ( 2.988 1.725 0.568) 3.497 19.561 ( -22.090 -12.754 55.198) 60.806 20.615 ( -10.048 -5.801 7.100) 13.603 ======================= Grid point 490 (167/344) ======================= q-point: ( 0.40 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.482 ( 16.068 9.277 8.077) 20.235 2.589 ( 22.879 13.209 2.481) 26.534 4.401 ( 27.968 16.147 -0.262) 32.295 4.820 ( 2.486 1.435 -4.618) 5.438 5.906 ( 16.498 9.525 3.321) 19.337 6.622 ( -8.454 -4.881 -5.038) 10.985 7.252 ( -15.663 -9.043 10.891) 21.112 8.196 ( -10.500 -6.062 -9.389) 15.335 9.122 ( -26.721 -15.427 0.289) 30.856 9.802 ( -8.200 -4.734 15.859) 18.470 11.458 ( 5.874 3.391 -8.372) 10.775 11.486 ( -1.583 -0.914 -23.293) 23.364 12.725 ( 6.306 3.641 -8.717) 11.358 13.579 ( 5.415 3.126 -17.453) 18.539 15.836 ( 0.616 0.355 -15.604) 15.621 15.971 ( 2.427 1.401 0.685) 2.885 19.323 ( -16.349 -9.439 47.417) 51.037 20.414 ( -8.333 -4.811 0.985) 9.672 ======================= Grid point 491 (168/344) ======================= q-point: ( 0.47 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.833 ( 11.920 6.882 5.303) 14.750 3.107 ( 21.351 12.327 -1.488) 24.699 4.849 ( 1.224 0.706 -2.589) 2.949 4.952 ( 20.879 12.055 -7.727) 25.317 6.239 ( 9.722 5.613 5.319) 12.423 6.498 ( -0.876 -0.506 1.645) 1.931 7.054 ( -6.457 -3.728 16.078) 17.723 7.924 ( -9.562 -5.520 -9.863) 14.805 8.484 ( -27.554 -15.908 -3.935) 32.059 9.695 ( -6.001 -3.465 14.729) 16.277 11.362 ( -1.638 -0.946 -17.969) 18.068 11.560 ( 5.366 3.098 -7.451) 9.691 12.762 ( 0.422 0.243 -7.853) 7.868 13.656 ( 4.893 2.825 -5.867) 8.145 15.784 ( 1.101 0.636 -19.614) 19.656 16.021 ( 1.622 0.937 0.665) 1.988 19.131 ( -14.634 -8.449 37.766) 41.374 20.250 ( -5.516 -3.185 -1.815) 6.623 ======================= Grid point 492 (169/344) ======================= q-point: ( 0.53 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.067 ( 6.842 3.950 2.484) 8.281 3.546 ( 16.904 9.760 -3.810) 19.888 4.865 ( 0.809 0.467 0.683) 1.158 5.306 ( 13.172 7.605 -13.495) 20.333 6.364 ( 0.971 0.560 5.790) 5.897 6.593 ( 4.915 2.838 9.084) 10.712 7.047 ( -0.346 -0.200 15.871) 15.876 7.693 ( -6.711 -3.875 -11.029) 13.479 7.840 ( -25.093 -14.487 -8.294) 30.138 9.634 ( -3.956 -2.284 13.242) 14.007 11.299 ( 1.161 0.670 -10.124) 10.212 11.646 ( 4.191 2.420 -6.029) 7.731 12.733 ( -0.361 -0.208 -1.502) 1.559 13.740 ( 3.243 1.872 -1.959) 4.226 15.758 ( 3.714 2.144 -21.411) 21.836 16.051 ( 0.808 0.467 0.550) 1.083 18.918 ( -14.509 -8.377 26.510) 31.360 20.151 ( -2.507 -1.448 -1.610) 3.312 ======================= Grid point 493 (170/344) ======================= q-point: ( 0.60 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.163 ( 1.086 0.627 -0.089) 1.257 3.829 ( 8.293 4.788 -4.721) 10.676 4.903 ( 1.792 1.035 4.457) 4.914 5.462 ( 5.368 3.099 -16.660) 17.776 6.385 ( -1.180 -0.681 6.994) 7.126 6.714 ( 1.095 0.632 13.678) 13.736 7.014 ( -10.452 -6.035 -0.042) 12.069 7.421 ( -3.207 -1.852 -1.501) 3.996 7.538 ( -2.634 -1.521 -12.952) 13.305 9.606 ( -2.729 -1.576 12.150) 12.552 11.349 ( 4.992 2.882 -1.176) 5.883 11.707 ( 2.842 1.641 -4.590) 5.643 12.768 ( 3.173 1.832 5.546) 6.647 13.778 ( 0.490 0.283 -1.801) 1.888 15.804 ( 7.382 4.262 -21.178) 22.829 16.063 ( 0.063 0.036 0.384) 0.391 18.659 ( -14.773 -8.529 16.078) 23.442 20.119 ( -0.068 -0.039 -0.388) 0.396 ======================= Grid point 494 (171/344) ======================= q-point: (-0.33 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.120 ( -4.451 -2.570 -1.451) 5.340 3.870 ( -3.471 -2.004 -4.051) 5.698 4.981 ( 2.753 1.590 7.245) 7.912 5.431 ( -2.681 -1.548 -16.111) 16.406 6.349 ( -4.160 -2.402 5.953) 7.649 6.635 ( -8.570 -4.948 -1.689) 10.039 6.847 ( -1.462 -0.844 9.662) 9.809 7.481 ( 2.483 1.434 -14.931) 15.204 7.559 ( 11.357 6.557 -1.221) 13.170 9.593 ( -2.420 -1.397 11.321) 11.660 11.513 ( 7.945 4.587 6.437) 11.208 11.743 ( 1.616 0.933 -3.213) 3.715 12.926 ( 7.551 4.360 10.271) 13.473 13.753 ( -1.602 -0.925 -2.803) 3.359 15.936 ( 10.695 6.175 -20.745) 24.143 16.057 ( -0.643 -0.371 0.199) 0.769 18.361 ( -14.971 -8.643 9.231) 19.597 20.139 ( 1.751 1.011 0.367) 2.055 ======================= Grid point 495 (172/344) ======================= q-point: (-0.27 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.956 ( -9.117 -5.264 -1.159) 10.591 3.650 ( -13.991 -8.078 -2.221) 16.308 5.067 ( 1.720 0.993 8.037) 8.279 5.208 ( -12.208 -7.048 -12.529) 18.860 6.297 ( -1.247 -0.720 5.254) 5.448 6.493 ( -2.223 -1.283 -5.391) 5.970 6.864 ( -1.310 -0.757 14.652) 14.730 7.550 ( 8.794 5.077 -15.998) 18.948 7.892 ( 18.453 10.654 -6.258) 22.208 9.575 ( -2.776 -1.603 10.266) 10.755 11.740 ( 8.356 4.825 10.121) 13.983 11.759 ( 0.608 0.351 -1.717) 1.855 13.150 ( 6.312 3.644 10.478) 12.764 13.722 ( 1.735 1.002 -2.197) 2.974 16.034 ( -1.360 -0.785 0.000) 1.570 16.125 ( 12.284 7.092 -23.758) 27.670 18.048 ( -14.611 -8.436 9.038) 19.140 20.199 ( 3.168 1.829 0.554) 3.700 ======================= Grid point 496 (173/344) ======================= q-point: (-0.20 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.695 ( -13.256 -7.653 0.512) 15.315 3.236 ( -20.720 -11.963 -0.130) 23.925 4.761 ( -23.118 -13.347 -8.229) 27.934 5.104 ( -1.168 -0.675 6.788) 6.921 6.176 ( -10.686 -6.170 -2.265) 12.545 6.654 ( 16.525 9.541 5.526) 19.865 6.920 ( 2.376 1.372 12.644) 12.938 7.771 ( 15.290 8.828 -15.455) 23.465 8.351 ( 23.181 13.384 -8.064) 27.956 9.540 ( -3.252 -1.878 8.479) 9.274 11.760 ( -0.288 -0.166 0.139) 0.361 11.947 ( 5.796 3.346 9.260) 11.426 13.182 ( -5.854 -3.380 3.343) 7.541 13.919 ( 14.793 8.541 3.194) 17.378 15.994 ( -2.080 -1.201 -0.212) 2.411 16.285 ( 10.165 5.869 -36.048) 37.910 17.784 ( -12.197 -7.042 21.199) 25.451 20.288 ( 4.345 2.509 0.626) 5.056 ======================= Grid point 497 (174/344) ======================= q-point: (-0.13 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.348 ( -17.302 -9.990 3.300) 20.250 2.713 ( -24.465 -14.125 2.154) 28.332 4.085 ( -32.883 -18.985 -4.212) 38.203 5.064 ( -3.971 -2.292 4.301) 6.287 5.851 ( -15.479 -8.937 -4.307) 18.385 6.988 ( 5.276 3.046 8.819) 10.719 7.298 ( 29.363 16.953 12.093) 35.997 8.126 ( 19.636 11.337 -13.331) 26.302 8.885 ( 25.231 14.567 -7.932) 30.195 9.491 ( -3.154 -1.821 5.489) 6.588 11.747 ( -1.295 -0.748 2.449) 2.869 12.059 ( 1.153 0.666 5.325) 5.489 12.973 ( -11.802 -6.814 0.313) 13.631 14.339 ( 19.299 11.142 -0.868) 22.302 15.937 ( -2.685 -1.550 -0.432) 3.130 16.263 ( 2.306 1.331 -56.038) 56.102 17.700 ( -5.172 -2.986 47.072) 47.449 20.403 ( 5.270 3.043 1.077) 6.180 ======================= Grid point 502 (175/344) ======================= q-point: ( 0.20 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( 0.000 21.556 24.654) 32.749 1.259 ( 0.000 18.824 25.446) 31.652 1.893 ( 0.000 25.844 37.567) 45.598 4.698 ( -0.000 4.175 -4.881) 6.423 4.733 ( -0.000 9.470 -5.232) 10.820 7.687 ( 0.000 -32.054 10.111) 33.611 9.077 ( 0.000 -0.026 3.406) 3.406 9.493 ( -0.000 -14.950 -13.509) 20.150 9.714 ( -0.000 -17.026 -8.046) 18.832 10.325 ( -0.000 7.072 -15.058) 16.636 11.153 ( -0.000 20.951 -29.910) 36.518 11.666 ( 0.000 6.040 7.654) 9.750 11.939 ( 0.000 15.830 3.436) 16.198 12.168 ( -0.000 47.104 -29.397) 55.525 15.747 ( -0.000 1.438 -0.614) 1.563 15.758 ( 0.000 0.446 0.265) 0.519 20.662 ( 0.000 -17.789 7.051) 19.135 21.528 ( 0.000 -67.005 51.896) 84.752 ======================= Grid point 503 (176/344) ======================= q-point: ( 0.27 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( 2.932 16.814 23.786) 29.276 1.594 ( 7.016 26.060 17.312) 32.063 2.551 ( 25.425 26.666 23.025) 43.447 4.713 ( -0.452 6.342 -5.498) 8.405 4.941 ( 10.858 12.432 -3.144) 16.803 7.351 ( -12.203 -13.804 2.956) 18.661 8.659 ( -25.313 -21.988 -8.490) 34.588 9.087 ( -24.242 7.191 -1.702) 25.343 9.779 ( 16.799 -26.073 0.675) 31.024 10.254 ( 3.833 -23.330 -3.691) 23.929 11.333 ( -2.650 15.930 -18.983) 24.923 11.523 ( -7.705 14.319 -13.268) 20.987 12.161 ( 5.074 16.236 1.497) 17.076 12.827 ( 28.427 27.713 -40.679) 56.841 15.775 ( 1.652 0.435 -1.234) 2.107 15.790 ( 2.884 1.099 0.560) 3.137 20.329 ( -15.253 -31.736 31.661) 47.352 21.038 ( -13.982 -24.306 34.731) 44.637 ======================= Grid point 504 (177/344) ======================= q-point: ( 0.33 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( 11.508 15.125 16.844) 25.395 2.063 ( 10.103 25.402 11.577) 29.688 3.353 ( 29.619 22.596 9.974) 38.566 4.766 ( 0.633 7.478 -5.238) 9.152 5.305 ( 15.916 13.347 0.380) 20.775 7.022 ( -13.744 -7.229 -3.447) 15.907 7.953 ( -23.202 -23.693 -2.708) 33.272 8.768 ( -23.122 11.221 -4.425) 26.079 9.639 ( -0.924 -33.258 10.759) 34.967 10.080 ( 1.124 -14.756 -5.494) 15.786 11.209 ( -6.193 -1.888 -0.773) 6.520 11.600 ( 0.826 14.510 -29.987) 33.323 12.429 ( 7.951 13.068 -1.931) 15.418 13.267 ( 15.706 15.342 -35.696) 41.908 15.792 ( 1.799 -1.751 -3.347) 4.184 15.867 ( 3.589 1.957 0.012) 4.088 19.907 ( -15.914 -23.779 44.247) 52.693 20.759 ( -10.944 -11.367 14.805) 21.637 ======================= Grid point 505 (178/344) ======================= q-point: ( 0.40 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.329 ( 15.676 13.687 10.238) 23.192 2.525 ( 10.812 23.319 6.858) 26.603 4.073 ( 27.788 16.993 -0.445) 32.575 4.836 ( 0.111 8.508 -4.085) 9.438 5.731 ( 16.858 11.538 3.755) 20.771 6.715 ( -11.264 -5.663 -4.787) 13.486 7.433 ( -14.846 -15.238 7.852) 22.677 8.459 ( -21.625 8.927 -7.684) 24.625 9.229 ( -11.991 -30.317 6.732) 33.290 9.927 ( -3.771 -10.745 3.620) 11.949 11.137 ( 5.720 -9.830 -6.572) 13.135 11.585 ( -3.627 9.645 -24.311) 26.405 12.646 ( 5.755 8.278 -5.952) 11.708 13.484 ( 7.847 12.469 -23.085) 27.385 15.767 ( 0.303 -3.014 -7.306) 7.909 15.943 ( 3.003 1.776 -0.384) 3.510 19.627 ( -13.129 -16.761 43.162) 48.128 20.516 ( -9.691 -8.273 4.456) 13.498 ======================= Grid point 506 (179/344) ======================= q-point: ( 0.47 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.752 ( 12.974 13.035 6.180) 19.402 2.960 ( 12.671 19.835 2.259) 23.645 4.635 ( 22.488 9.910 -8.079) 25.869 4.910 ( -0.623 10.492 -2.133) 10.724 6.115 ( 13.472 7.022 5.606) 16.194 6.529 ( -3.814 -2.082 1.394) 4.563 7.172 ( -7.290 -8.291 14.110) 17.916 8.142 ( -19.637 6.238 -10.012) 22.908 8.692 ( -19.536 -24.028 0.568) 30.973 9.780 ( -3.694 -9.818 9.705) 14.291 11.133 ( 10.345 -13.112 -11.033) 20.016 11.517 ( -2.853 4.805 -16.407) 17.333 12.747 ( 1.561 4.857 -6.600) 8.342 13.651 ( 4.148 13.662 -11.796) 18.521 15.695 ( -0.346 -3.204 -12.062) 12.485 16.002 ( 2.269 1.208 -0.599) 2.639 19.409 ( -12.882 -13.643 37.649) 42.065 20.305 ( -6.785 -5.750 -1.296) 8.988 ======================= Grid point 507 (180/344) ======================= q-point: ( 0.53 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.064 ( 5.766 12.827 3.388) 14.466 3.374 ( 14.245 14.600 -1.522) 20.455 4.901 ( 2.476 5.574 -2.209) 6.487 5.096 ( 11.926 10.013 -10.259) 18.648 6.334 ( 5.325 -0.048 5.616) 7.740 6.572 ( 4.524 3.668 8.551) 10.346 7.098 ( -1.172 -4.478 16.255) 16.901 7.819 ( -16.824 -0.977 -12.514) 20.990 8.110 ( -23.063 -12.874 -4.976) 26.877 9.686 ( -1.509 -8.146 12.371) 14.889 11.146 ( 11.026 -12.277 -11.470) 20.096 11.475 ( 1.712 -1.607 -8.332) 8.657 12.780 ( -0.594 5.135 -2.337) 5.674 13.803 ( 0.265 14.889 -5.604) 15.911 15.620 ( 1.893 -2.542 -16.255) 16.561 16.041 ( 1.516 0.552 -0.818) 1.809 19.173 ( -14.112 -12.152 28.534) 34.073 20.166 ( -3.065 -3.442 -2.285) 5.145 ======================= Grid point 508 (181/344) ======================= q-point: ( 0.60 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.232 ( -1.257 11.285 0.769) 11.381 3.704 ( 10.759 8.410 -3.814) 14.178 4.968 ( -1.330 7.543 3.471) 8.409 5.306 ( 8.782 4.239 -15.378) 18.209 6.405 ( 1.399 -0.915 7.077) 7.272 6.723 ( 3.985 1.122 12.217) 12.899 7.103 ( -4.265 -5.696 9.024) 11.492 7.413 ( -10.471 -10.998 -9.714) 18.027 7.715 ( -15.547 6.222 -10.731) 19.889 9.653 ( -0.428 -5.419 13.329) 14.395 11.200 ( 13.915 -12.286 -7.425) 19.993 11.480 ( 5.022 -5.131 -2.286) 7.535 12.837 ( 0.174 7.487 3.443) 8.243 13.902 ( -4.669 15.403 -3.190) 16.408 15.605 ( 6.594 -1.186 -18.865) 20.019 16.059 ( 0.814 -0.170 -1.119) 1.394 18.892 ( -15.135 -10.962 18.933) 26.603 20.108 ( -0.142 -1.795 -0.988) 2.054 ======================= Grid point 509 (182/344) ======================= q-point: (-0.33 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.254 ( -7.601 8.652 -0.875) 11.550 3.857 ( 2.376 1.646 -4.672) 5.494 5.045 ( -1.010 8.094 6.751) 10.589 5.364 ( 2.167 0.431 -16.178) 16.328 6.404 ( -3.085 -3.696 7.709) 9.089 6.736 ( -11.061 -8.959 0.651) 14.249 6.856 ( 0.428 -3.928 5.935) 7.130 7.417 ( 8.648 3.921 -0.075) 9.495 7.543 ( -7.974 8.168 -13.878) 17.969 9.651 ( -0.932 -3.139 12.808) 13.220 11.323 ( 19.091 -17.508 -3.745) 26.172 11.535 ( 5.117 -1.058 3.697) 6.401 12.967 ( 2.855 8.675 7.670) 11.926 13.926 ( -9.074 15.991 -2.792) 18.597 15.686 ( 11.374 0.741 -20.304) 23.285 16.057 ( 0.225 -1.112 -1.508) 1.887 18.579 ( -15.528 -9.764 12.621) 22.265 20.110 ( 1.831 -0.685 0.017) 1.956 ======================= Grid point 510 (183/344) ======================= q-point: (-0.27 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.142 ( -12.657 5.357 -0.943) 13.776 3.778 ( -8.377 -3.463 -3.910) 9.872 5.133 ( -1.188 6.487 7.212) 9.772 5.263 ( -6.011 -2.776 -13.317) 14.872 6.300 ( -2.118 -6.146 4.782) 8.071 6.510 ( -5.239 -5.298 -2.700) 7.925 6.893 ( 1.245 -4.245 13.298) 14.014 7.494 ( -0.281 8.291 -15.674) 17.734 7.690 ( 14.245 12.355 -4.293) 19.339 9.644 ( -2.027 -2.503 11.138) 11.594 11.439 ( 18.521 -22.974 -3.382) 29.703 11.687 ( 7.188 4.821 9.259) 12.674 13.145 ( 4.669 5.411 8.306) 10.957 13.913 ( -10.170 19.083 -2.216) 21.737 15.845 ( 13.827 2.693 -23.629) 27.510 16.033 ( -0.272 -2.496 -1.581) 2.967 18.266 ( -14.978 -8.361 12.325) 21.122 20.153 ( 3.313 0.125 0.347) 3.333 ======================= Grid point 511 (184/344) ======================= q-point: (-0.20 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.921 ( -16.454 1.180 0.344) 16.500 3.488 ( -17.803 -5.293 -2.183) 18.701 4.960 ( -15.954 -8.494 -9.714) 20.519 5.194 ( -3.789 5.023 6.951) 9.376 6.264 ( -5.184 -5.655 2.883) 8.195 6.445 ( 10.465 -1.620 -0.203) 10.591 6.923 ( 1.945 -3.747 13.133) 13.794 7.598 ( 9.092 9.422 -15.156) 20.028 8.115 ( 18.285 18.774 -5.595) 26.797 9.611 ( -2.809 -3.152 8.619) 9.597 11.490 ( 14.525 -21.638 -1.317) 26.095 11.908 ( 8.081 3.928 8.414) 12.309 13.231 ( -1.061 -1.962 3.693) 4.314 14.004 ( -2.635 24.329 0.269) 24.473 15.969 ( 3.978 -3.070 -20.215) 20.830 16.023 ( 7.354 2.704 -13.601) 15.696 18.012 ( -12.127 -6.367 21.317) 25.338 20.228 ( 4.606 0.767 0.467) 4.693 ======================= Grid point 512 (185/344) ======================= q-point: (-0.13 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.598 ( -19.496 -4.374 2.601) 20.149 3.066 ( -24.288 -4.017 -0.166) 24.618 4.448 ( -27.774 -11.824 -4.621) 30.538 5.163 ( -6.056 1.517 4.406) 7.641 6.015 ( -13.713 -6.640 -3.219) 15.572 6.798 ( 22.886 -1.901 6.598) 23.894 7.036 ( 11.477 1.835 10.441) 15.624 7.888 ( 17.335 12.780 -11.625) 24.474 8.633 ( 19.856 20.758 -4.204) 29.032 9.553 ( -2.698 -3.426 4.624) 6.356 11.505 ( 11.843 -20.938 1.168) 24.083 12.079 ( 4.392 2.980 4.048) 6.675 13.103 ( -9.255 -4.900 -0.180) 10.473 14.283 ( 6.245 22.397 -4.091) 23.608 15.884 ( 0.997 -6.835 -16.213) 17.623 16.085 ( 2.657 5.465 -29.251) 29.876 17.921 ( -5.015 -3.451 40.086) 40.546 20.331 ( 5.804 1.256 0.894) 6.005 ======================= Grid point 518 (186/344) ======================= q-point: ( 0.27 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( 0.000 19.636 18.010) 26.644 1.830 ( 0.000 23.784 18.458) 30.106 2.703 ( 0.000 32.311 18.936) 37.451 4.774 ( -0.000 7.184 -5.255) 8.901 4.976 ( -0.000 17.376 -2.770) 17.595 7.327 ( 0.000 -11.501 -0.280) 11.504 8.759 ( -0.000 -24.202 -10.006) 26.189 9.158 ( 0.000 -32.065 -0.419) 32.068 9.426 ( 0.000 7.372 4.501) 8.638 9.936 ( 0.000 -28.612 0.513) 28.616 11.408 ( -0.000 24.398 -38.494) 45.574 11.779 ( 0.000 1.014 2.642) 2.830 12.303 ( -0.000 17.579 0.096) 17.579 12.676 ( -0.000 30.332 -37.490) 48.224 15.738 ( 0.000 -3.703 1.397) 3.958 15.791 ( -0.000 3.174 -0.196) 3.180 20.229 ( 0.000 -33.142 30.760) 45.217 21.021 ( 0.000 -24.044 29.151) 37.787 ======================= Grid point 519 (187/344) ======================= q-point: ( 0.33 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( 0.033 17.764 16.599) 24.312 2.227 ( 7.363 24.388 12.576) 28.410 3.232 ( 16.095 28.630 8.587) 33.947 4.832 ( 0.040 9.240 -5.019) 10.515 5.238 ( 8.958 17.949 0.330) 20.063 7.149 ( -9.074 -6.522 -3.193) 11.622 8.108 ( -25.147 -25.180 -5.090) 35.948 9.134 ( 13.920 -29.553 5.871) 33.191 9.349 ( -15.250 7.459 1.827) 17.075 9.684 ( 6.183 -29.870 -3.509) 30.704 11.487 ( -9.626 11.021 -13.892) 20.177 11.598 ( -6.609 6.641 -21.240) 23.215 12.492 ( 2.144 15.727 -0.995) 15.903 13.008 ( 17.553 19.093 -32.368) 41.477 15.714 ( 2.194 -6.211 0.750) 6.630 15.843 ( 1.934 3.339 0.230) 3.866 19.984 ( -6.253 -26.976 35.266) 44.839 20.841 ( -6.715 -16.672 18.053) 25.475 ======================= Grid point 520 (188/344) ======================= q-point: ( 0.40 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.327 ( 7.519 16.937 11.835) 21.988 2.646 ( 8.003 24.168 8.185) 26.742 3.823 ( 20.670 20.666 -1.135) 29.251 4.925 ( 0.506 11.470 -3.679) 12.057 5.611 ( 12.941 15.362 3.558) 20.399 6.868 ( -13.906 -5.065 -4.134) 15.366 7.538 ( -14.411 -17.758 4.007) 23.218 8.940 ( -12.426 -10.905 2.684) 16.748 9.103 ( -14.338 -10.269 8.965) 19.784 9.579 ( 16.161 -26.115 -11.343) 32.739 11.185 ( -16.889 -3.450 1.032) 17.269 11.608 ( 0.549 10.661 -30.612) 32.420 12.662 ( 1.994 11.782 -3.348) 12.410 13.340 ( 14.019 14.902 -25.239) 32.491 15.686 ( 2.206 -7.163 -1.140) 7.581 15.913 ( 2.305 2.554 -0.025) 3.441 19.764 ( -7.393 -20.405 36.114) 42.134 20.605 ( -9.038 -12.331 8.109) 17.306 ======================= Grid point 521 (189/344) ======================= q-point: ( 0.47 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.702 ( 11.647 16.439 6.824) 21.271 3.040 ( 7.099 22.817 4.988) 24.410 4.330 ( 20.452 12.167 -8.185) 25.166 5.045 ( -0.380 13.932 -1.534) 14.021 5.985 ( 12.513 9.972 4.974) 16.756 6.613 ( -8.115 -2.711 1.877) 8.759 7.251 ( -7.268 -9.983 10.113) 15.961 8.564 ( -18.521 -9.426 -3.888) 21.142 8.750 ( -18.239 -7.824 6.686) 20.942 9.564 ( 13.096 -22.413 -5.299) 26.494 10.907 ( -5.798 -11.508 -2.761) 13.179 11.573 ( -3.328 8.313 -22.536) 24.249 12.765 ( 0.622 7.562 -4.447) 8.794 13.623 ( 10.502 15.738 -17.306) 25.641 15.631 ( 0.168 -6.372 -3.689) 7.364 15.968 ( 2.037 1.155 -0.909) 2.512 19.577 ( -8.569 -16.984 34.112) 39.058 20.362 ( -8.067 -8.590 0.319) 11.789 ======================= Grid point 522 (190/344) ======================= q-point: ( 0.53 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.084 ( 10.560 16.098 3.149) 19.509 3.380 ( 5.730 19.856 2.228) 20.786 4.706 ( 17.082 5.288 -11.099) 21.046 5.173 ( -1.797 15.635 -0.125) 15.738 6.242 ( 7.657 1.910 4.945) 9.313 6.585 ( 1.631 3.398 8.339) 9.151 7.130 ( -2.702 -6.575 13.563) 15.313 8.080 ( -20.484 -14.854 -7.594) 26.418 8.387 ( -21.236 2.219 -0.938) 21.372 9.553 ( 8.990 -16.433 3.644) 19.082 10.730 ( 5.765 -20.552 -6.911) 22.436 11.512 ( -4.040 7.277 -13.981) 16.271 12.821 ( 0.383 5.501 -2.015) 5.871 13.888 ( 6.795 17.770 -11.549) 22.255 15.542 ( -1.355 -4.479 -7.026) 8.442 16.001 ( 2.055 -0.588 -1.610) 2.676 19.364 ( -11.216 -15.288 28.063) 33.868 20.177 ( -4.396 -5.158 -2.787) 7.328 ======================= Grid point 523 (191/344) ======================= q-point: ( 0.60 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.384 ( 3.187 16.783 1.089) 17.117 3.647 ( 5.291 13.272 -0.730) 14.307 4.953 ( 11.606 2.707 -9.169) 15.037 5.285 ( -2.627 14.310 -1.119) 14.592 6.367 ( 4.696 -0.686 6.744) 8.247 6.713 ( 3.445 2.304 9.354) 10.231 7.116 ( 0.526 -5.519 13.766) 14.841 7.529 ( -20.008 -13.887 -10.852) 26.663 8.059 ( -20.052 7.661 -7.768) 22.828 9.585 ( 6.370 -9.631 10.767) 15.788 10.640 ( 15.395 -27.935 -8.503) 33.010 11.490 ( -2.071 6.880 -5.656) 9.144 12.890 ( 1.703 5.028 1.925) 5.647 14.115 ( 1.250 20.117 -7.475) 21.498 15.461 ( 0.602 -2.550 -10.917) 11.227 16.015 ( 2.016 -2.321 -1.904) 3.616 19.093 ( -13.521 -13.427 19.413) 27.202 20.085 ( -0.767 -2.980 -1.793) 3.561 ======================= Grid point 524 (192/344) ======================= q-point: ( 0.67 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.521 ( -7.183 16.785 0.065) 18.257 3.813 ( 3.721 4.973 -3.066) 6.926 5.108 ( 6.726 2.587 -6.470) 9.685 5.353 ( -3.935 11.491 -1.721) 12.267 6.435 ( 0.214 -2.316 8.534) 8.845 6.795 ( 1.919 -3.101 11.134) 11.716 6.880 ( -16.155 -13.274 -6.227) 21.816 7.326 ( 5.171 1.866 1.677) 5.748 7.802 ( -15.339 11.013 -11.926) 22.333 9.642 ( 2.960 -5.523 12.786) 14.240 10.650 ( 23.120 -30.610 -6.937) 38.982 11.540 ( 1.123 6.291 1.631) 6.595 12.998 ( 3.660 4.388 4.766) 7.441 14.266 ( -6.065 22.542 -4.220) 23.722 15.451 ( 6.364 -0.811 -15.173) 16.473 16.010 ( 1.704 -3.903 -1.702) 4.587 18.785 ( -14.454 -11.222 13.024) 22.460 20.066 ( 1.551 -1.781 -0.497) 2.413 ======================= Grid point 525 (193/344) ======================= q-point: (-0.27 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.476 ( -14.735 12.855 -0.200) 19.555 3.841 ( -2.463 0.606 -3.632) 4.430 5.174 ( 2.055 -0.573 -9.542) 9.778 5.374 ( -6.394 11.105 3.325) 13.238 6.335 ( -8.226 -7.219 5.006) 12.035 6.537 ( -6.268 -7.816 -2.242) 10.267 6.844 ( 3.049 -6.065 10.727) 12.695 7.469 ( 4.813 1.303 -4.483) 6.705 7.731 ( -2.027 21.378 -9.730) 23.576 9.655 ( 0.455 -6.721 10.168) 12.197 10.766 ( 25.576 -27.621 -4.636) 37.928 11.663 ( 4.558 4.829 6.802) 9.505 13.127 ( 4.699 2.123 4.901) 7.114 14.334 ( -11.297 24.573 -1.824) 27.107 15.547 ( 11.797 0.996 -20.748) 23.888 15.985 ( 1.206 -5.062 -0.174) 5.207 18.480 ( -14.063 -8.890 11.739) 20.362 20.092 ( 3.108 -1.002 -0.011) 3.265 ======================= Grid point 526 (194/344) ======================= q-point: (-0.20 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.277 ( -19.165 6.558 0.410) 20.260 3.710 ( -11.532 0.275 -2.692) 11.845 5.063 ( -7.642 -4.036 -10.944) 13.945 5.385 ( -6.933 8.925 6.442) 13.009 6.220 ( 2.279 -4.480 4.550) 6.780 6.372 ( -5.204 -7.113 -0.713) 8.842 6.870 ( 3.214 -7.173 11.160) 13.651 7.507 ( 3.969 4.171 -9.432) 11.051 8.068 ( 11.734 27.099 -4.959) 29.944 9.603 ( 0.026 -10.161 6.231) 11.920 10.918 ( 22.123 -23.001 -3.302) 32.084 11.833 ( 7.178 2.444 7.742) 10.837 13.211 ( 2.322 -1.574 2.041) 3.469 14.384 ( -10.224 25.114 -0.947) 27.132 15.678 ( 11.382 0.635 -29.886) 31.986 15.967 ( 1.883 -3.407 3.608) 5.307 18.229 ( -11.618 -6.419 17.593) 22.039 20.151 ( 4.435 -0.420 0.077) 4.455 ======================= Grid point 527 (195/344) ======================= q-point: (-0.13 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.954 ( -22.219 0.428 1.737) 22.291 3.435 ( -19.723 0.999 -1.368) 19.796 4.753 ( -18.966 -4.763 -6.424) 20.583 5.333 ( -8.619 3.345 3.894) 10.032 6.161 ( -10.138 -4.547 0.106) 11.111 6.400 ( 18.024 -3.740 2.970) 18.646 6.920 ( 6.030 -5.158 9.735) 12.559 7.690 ( 13.540 8.781 -5.086) 16.920 8.569 ( 14.876 27.358 -2.832) 31.269 9.510 ( 0.823 -11.953 1.302) 12.052 11.035 ( 16.853 -19.552 -1.374) 25.849 11.998 ( 7.341 -0.048 3.754) 8.245 13.172 ( -3.832 -3.827 -1.414) 5.597 14.474 ( -4.625 19.484 -6.634) 21.096 15.692 ( 4.866 -1.873 -27.648) 28.135 16.021 ( 3.385 2.657 -3.779) 5.727 18.113 ( -5.693 -3.824 31.461) 32.200 20.238 ( 5.749 -0.010 0.291) 5.757 ======================= Grid point 534 (196/344) ======================= q-point: ( 0.33 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.297 ( 0.000 16.409 11.939) 20.293 2.392 ( 0.000 20.163 13.085) 24.037 3.435 ( 0.000 31.466 3.484) 31.658 4.899 ( -0.000 9.105 -5.426) 10.600 5.369 ( 0.000 21.375 2.488) 21.519 7.164 ( -0.000 -3.577 -4.344) 5.627 8.170 ( -0.000 -26.055 -8.682) 27.464 8.501 ( 0.000 -33.985 5.052) 34.358 9.316 ( 0.000 -33.016 1.095) 33.034 9.663 ( 0.000 9.740 9.590) 13.669 11.526 ( -0.000 17.590 -39.364) 43.115 11.750 ( -0.000 -3.348 -3.312) 4.709 12.615 ( -0.000 14.550 -3.126) 14.882 12.915 ( -0.000 18.874 -24.538) 30.957 15.613 ( 0.000 -10.255 2.122) 10.472 15.866 ( 0.000 3.959 0.438) 3.983 19.901 ( 0.000 -23.876 32.292) 40.160 20.790 ( 0.000 -17.021 14.551) 22.393 ======================= Grid point 535 (197/344) ======================= q-point: ( 0.40 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.472 ( 0.421 15.953 10.054) 18.862 2.739 ( 9.546 18.775 8.363) 22.662 3.805 ( 7.631 25.946 -2.541) 27.164 4.994 ( 2.231 10.292 -4.803) 11.574 5.646 ( 5.296 20.201 4.757) 21.419 7.032 ( -10.320 -2.545 -4.836) 11.677 7.622 ( -16.498 -20.912 1.025) 26.656 8.501 ( 20.296 -34.052 6.841) 40.228 9.027 ( 6.181 -32.023 -4.111) 32.872 9.620 ( -19.320 12.028 7.172) 23.861 11.479 ( -18.308 -4.798 -8.193) 20.624 11.580 ( 1.197 13.822 -30.979) 33.944 12.760 ( 0.763 12.467 -3.161) 12.884 13.142 ( 13.743 14.831 -20.328) 28.672 15.535 ( 3.344 -12.302 1.673) 12.858 15.917 ( 1.040 3.589 0.563) 3.779 19.775 ( -3.006 -19.618 31.046) 36.848 20.626 ( -5.063 -14.681 8.194) 17.559 ======================= Grid point 536 (198/344) ======================= q-point: ( 0.47 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.734 ( 7.008 16.483 6.632) 19.099 3.127 ( 10.319 18.373 5.308) 21.731 4.166 ( 10.721 17.121 -7.350) 21.497 5.146 ( 3.685 12.345 -2.880) 13.202 5.957 ( 6.770 15.217 5.134) 17.428 6.765 ( -11.993 -3.839 1.242) 12.653 7.304 ( -6.578 -9.806 6.252) 13.361 8.404 ( 2.900 -32.709 11.045) 34.645 8.914 ( 18.784 -29.699 -9.508) 36.404 9.351 ( -27.101 14.367 1.667) 30.719 11.036 ( -19.567 -9.428 -4.898) 22.265 11.611 ( -0.379 11.272 -25.916) 28.264 12.846 ( -1.573 9.051 -3.237) 9.741 13.479 ( 15.361 14.728 -16.750) 27.082 15.491 ( 4.766 -11.961 0.878) 12.905 15.964 ( 0.425 2.509 -0.107) 2.547 19.639 ( -4.924 -17.179 29.471) 34.466 20.403 ( -7.162 -10.955 1.415) 13.164 ======================= Grid point 537 (199/344) ======================= q-point: ( 0.53 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.075 ( 10.297 16.741 3.194) 19.912 3.490 ( 7.880 18.288 3.956) 20.302 4.460 ( 12.343 8.403 -9.910) 17.921 5.334 ( 2.563 14.680 -0.677) 14.917 6.186 ( 4.468 6.602 4.130) 8.978 6.648 ( -2.004 1.887 8.452) 8.889 7.169 ( -4.093 -6.031 9.266) 11.789 8.086 ( -7.287 -26.868 3.334) 28.038 8.851 ( -9.709 -6.859 -2.744) 12.200 9.118 ( 2.921 -5.702 -3.027) 7.086 10.607 ( -13.269 -14.849 -5.231) 20.589 11.601 ( -2.809 9.705 -18.031) 20.669 12.881 ( -1.527 6.103 -1.504) 6.469 13.829 ( 13.457 16.268 -13.598) 25.112 15.459 ( 3.342 -9.239 0.092) 9.825 15.976 ( -0.499 0.625 -1.407) 1.618 19.469 ( -7.666 -16.350 25.480) 31.231 20.196 ( -5.608 -6.569 -2.778) 9.073 ======================= Grid point 538 (200/344) ======================= q-point: ( 0.60 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.424 ( 9.524 15.802 0.651) 18.462 3.775 ( 2.103 17.407 2.940) 17.778 4.695 ( 13.403 1.834 -10.284) 16.993 5.505 ( -1.338 16.329 1.061) 16.418 6.307 ( 4.104 1.288 5.593) 7.056 6.729 ( 1.786 3.490 7.559) 8.515 7.107 ( -0.912 -5.880 12.598) 13.933 7.655 ( -14.757 -18.799 -5.469) 24.517 8.510 ( -23.939 6.948 -4.275) 25.290 9.245 ( 20.002 -14.833 2.903) 25.071 10.248 ( -4.586 -21.154 -5.941) 22.445 11.587 ( -2.886 8.744 -10.047) 13.628 12.919 ( 0.334 4.152 1.148) 4.321 14.163 ( 10.526 17.864 -11.002) 23.473 15.419 ( 0.270 -4.376 -1.418) 4.608 15.954 ( 0.006 -2.574 -2.307) 3.457 19.233 ( -10.746 -14.988 18.104) 25.843 20.068 ( -2.140 -3.441 -2.511) 4.767 ======================= Grid point 539 (201/344) ======================= q-point: ( 0.67 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.705 ( 5.692 13.163 -0.875) 14.367 3.914 ( -5.870 14.651 1.554) 15.859 4.887 ( 12.900 -1.567 -9.843) 16.302 5.614 ( -5.834 16.548 2.863) 17.778 6.406 ( 3.852 -1.295 7.151) 8.226 6.781 ( 0.139 -1.360 6.133) 6.283 7.005 ( -12.181 -13.649 3.712) 18.667 7.303 ( -2.588 -1.064 -2.817) 3.970 8.182 ( -20.012 9.895 -7.177) 23.449 9.485 ( 16.383 -8.143 9.042) 20.408 9.995 ( 8.154 -28.481 -7.265) 30.503 11.609 ( -1.022 7.355 -2.613) 7.872 12.987 ( 2.637 2.530 2.908) 4.670 14.462 ( 6.168 19.647 -8.210) 22.169 15.376 ( -1.471 0.734 -4.966) 5.232 15.915 ( 1.757 -6.361 -1.768) 6.831 18.947 ( -12.364 -12.463 11.541) 21.009 20.024 ( 0.573 -1.993 -1.017) 2.310 ======================= Grid point 540 (202/344) ======================= q-point: (-0.27 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.862 ( 0.274 2.851 -2.069) 3.533 3.880 ( -13.374 16.972 1.170) 21.640 5.024 ( 8.895 -2.109 -10.195) 13.693 5.661 ( -8.459 14.734 4.942) 17.694 6.431 ( -2.386 -4.533 9.060) 10.409 6.585 ( -14.661 -11.022 -5.259) 19.081 6.777 ( 1.019 -5.677 7.216) 9.237 7.388 ( 5.377 2.998 -0.827) 6.211 8.013 ( -10.107 18.253 -7.776) 22.266 9.580 ( 0.612 -11.527 7.632) 13.838 10.015 ( 27.912 -24.051 -5.245) 37.216 11.678 ( 1.595 4.878 3.224) 6.061 13.074 ( 4.081 0.605 2.644) 4.900 14.693 ( -1.434 21.912 -4.055) 22.330 15.359 ( 1.988 2.494 -12.780) 13.172 15.882 ( 3.342 -8.087 1.061) 8.814 18.658 ( -12.349 -9.556 9.186) 18.116 20.032 ( 2.322 -1.261 -0.354) 2.666 ======================= Grid point 541 (203/344) ======================= q-point: (-0.20 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.677 ( -17.863 4.576 0.289) 18.442 3.887 ( -7.155 7.047 -1.000) 10.092 5.058 ( 0.873 -0.935 -10.553) 10.630 5.650 ( -9.646 9.812 5.518) 14.825 6.245 ( -8.926 -4.148 1.858) 10.016 6.386 ( -3.185 -6.969 4.419) 8.845 6.768 ( 2.930 -8.105 7.711) 11.565 7.463 ( 2.445 2.320 -4.109) 5.314 8.188 ( 4.898 27.922 -5.121) 28.807 9.447 ( 1.911 -19.870 2.897) 20.171 10.294 ( 25.697 -14.293 -3.545) 29.618 11.778 ( 4.099 1.357 5.794) 7.225 13.145 ( 3.548 -1.589 0.264) 3.897 14.799 ( -10.188 20.568 -1.003) 22.975 15.404 ( 8.543 1.165 -22.899) 24.469 15.892 ( 4.260 -4.724 5.293) 8.275 18.414 ( -10.514 -6.663 12.591) 17.705 20.073 ( 3.681 -0.771 -0.310) 3.774 ======================= Grid point 542 (204/344) ======================= q-point: (-0.13 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.361 ( -21.912 1.474 1.138) 21.991 3.747 ( -14.393 2.823 -0.902) 14.695 4.953 ( -9.043 1.657 -8.384) 12.443 5.547 ( -11.047 1.769 3.296) 11.663 6.171 ( 3.407 -4.346 0.714) 5.568 6.289 ( -5.332 0.101 7.077) 8.862 6.787 ( 5.388 -7.738 7.757) 12.210 7.571 ( 7.976 6.375 -1.062) 10.266 8.608 ( 11.267 26.084 -3.078) 28.580 9.297 ( 4.076 -19.862 -0.817) 20.292 10.558 ( 19.902 -9.467 -4.041) 22.406 11.880 ( 5.834 -2.405 3.729) 7.330 13.154 ( 0.534 -3.104 -3.119) 4.433 14.741 ( -11.839 9.248 -7.584) 16.828 15.493 ( 8.333 4.121 -21.472) 23.398 15.975 ( 4.486 1.439 3.329) 5.769 18.278 ( -5.964 -3.977 22.695) 23.800 20.141 ( 4.996 -0.446 -0.381) 5.031 ======================= Grid point 550 (205/344) ======================= q-point: ( 0.40 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.656 ( 0.000 12.242 7.303) 14.255 2.840 ( 0.000 17.171 6.825) 18.478 4.000 ( -0.000 25.174 -4.232) 25.527 5.045 ( -0.000 9.406 -5.880) 11.093 5.839 ( 0.000 21.376 6.034) 22.211 7.104 ( -0.000 0.882 -5.320) 5.393 7.618 ( -0.000 -23.733 -3.780) 24.032 7.914 ( 0.000 -29.441 10.008) 31.095 8.653 ( 0.000 -33.360 0.645) 33.367 9.934 ( 0.000 9.006 10.958) 14.184 11.551 ( -0.000 14.679 -37.131) 39.927 11.616 ( -0.000 -5.126 -7.761) 9.302 12.842 ( -0.000 11.537 -5.631) 12.838 13.099 ( -0.000 13.398 -11.295) 17.524 15.369 ( 0.000 -15.259 2.380) 15.444 15.948 ( 0.000 3.642 0.793) 3.727 19.726 ( 0.000 -17.475 28.076) 33.070 20.548 ( 0.000 -14.217 5.007) 15.072 ======================= Grid point 551 (206/344) ======================= q-point: ( 0.47 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.819 ( 3.416 12.742 5.473) 14.282 3.115 ( 9.440 14.538 3.846) 17.756 4.231 ( 2.074 19.797 -5.513) 20.655 5.157 ( 4.640 9.533 -5.409) 11.903 6.082 ( 1.535 18.331 5.525) 19.208 6.946 ( -13.173 -4.778 -0.158) 14.013 7.321 ( -4.053 -9.957 2.602) 11.061 7.918 ( 18.709 -29.591 9.340) 36.234 8.358 ( 4.992 -31.331 -3.721) 31.943 9.907 ( -16.997 10.346 7.787) 21.368 11.288 ( -20.497 -5.729 -11.737) 24.304 11.619 ( 1.807 12.180 -26.625) 29.334 12.945 ( -0.007 9.234 -4.772) 10.394 13.305 ( 12.719 12.847 -9.643) 20.489 15.264 ( 4.847 -15.662 2.585) 16.598 15.989 ( 0.240 2.982 0.561) 3.044 19.638 ( -2.408 -16.208 25.573) 30.372 20.392 ( -3.908 -11.386 0.519) 12.049 ======================= Grid point 552 (207/344) ======================= q-point: ( 0.53 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.083 ( 8.809 14.533 3.164) 17.286 3.459 ( 13.110 11.869 2.553) 17.868 4.416 ( 2.581 13.356 -5.986) 14.862 5.352 ( 7.949 10.189 -3.643) 13.427 6.263 ( -0.598 11.216 3.641) 11.808 6.748 ( -5.215 -1.331 8.735) 10.260 7.218 ( -3.788 -3.335 4.064) 6.480 7.867 ( 3.120 -28.347 9.151) 29.951 8.258 ( 21.592 -28.098 -7.510) 36.223 9.655 ( -27.136 13.456 3.269) 30.465 10.776 ( -22.737 -10.727 -7.886) 26.349 11.660 ( -0.396 11.120 -20.886) 23.665 12.979 ( -2.874 6.460 -2.369) 7.457 13.673 ( 16.538 14.577 -9.801) 24.126 15.239 ( 7.923 -14.170 3.238) 16.555 16.008 ( -1.259 1.989 -0.419) 2.390 19.504 ( -4.956 -16.049 21.634) 27.389 20.211 ( -5.045 -7.093 -2.728) 9.122 ======================= Grid point 553 (208/344) ======================= q-point: ( 0.60 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.411 ( 10.073 14.869 1.054) 17.991 3.813 ( 12.891 10.764 2.821) 17.030 4.545 ( 3.390 6.745 -6.065) 9.684 5.591 ( 7.749 11.306 -1.609) 13.801 6.334 ( -1.290 5.486 4.507) 7.216 6.772 ( 0.561 2.870 7.913) 8.436 7.136 ( -3.792 -4.046 7.933) 9.679 7.601 ( -4.699 -22.028 -0.785) 22.537 8.398 ( 24.210 -24.022 -2.394) 34.189 9.305 ( -27.699 13.589 1.130) 30.873 10.267 ( -17.847 -14.153 -6.028) 23.562 11.675 ( -1.800 9.456 -13.909) 16.915 12.980 ( -2.253 4.156 0.202) 4.732 14.067 ( 14.834 16.149 -9.121) 23.749 15.273 ( 8.529 -10.572 4.014) 14.164 15.973 ( -3.736 0.373 -1.907) 4.211 19.304 ( -7.834 -15.385 15.033) 22.892 20.073 ( -3.380 -3.380 -2.703) 5.492 ======================= Grid point 554 (209/344) ======================= q-point: ( 0.67 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.702 ( 7.328 11.144 -0.169) 13.339 4.121 ( 5.574 14.535 3.541) 15.965 4.633 ( 7.046 -1.232 -6.713) 9.809 5.812 ( 3.309 13.089 0.239) 13.502 6.379 ( 0.115 1.274 5.112) 5.270 6.809 ( -1.474 0.305 3.159) 3.499 7.047 ( -5.230 -10.733 8.745) 14.799 7.326 ( -4.329 -6.933 -5.137) 9.654 8.483 ( 1.138 -8.053 -1.531) 8.276 9.112 ( 1.081 1.585 1.413) 2.383 9.838 ( -12.161 -15.585 -3.667) 20.106 11.690 ( -1.544 7.549 -6.870) 10.323 12.995 ( -0.074 2.215 1.807) 2.860 14.433 ( 12.197 16.246 -7.902) 21.798 15.349 ( 6.635 -3.722 3.989) 8.590 15.872 ( -5.074 -3.156 -3.104) 6.733 19.049 ( -9.778 -13.127 8.483) 18.436 20.005 ( -0.994 -1.530 -1.219) 2.194 ======================= Grid point 555 (210/344) ======================= q-point: ( 0.73 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.868 ( 2.668 4.761 -0.666) 5.498 4.267 ( -9.533 16.735 3.456) 19.567 4.754 ( 14.039 -4.589 -7.552) 16.589 5.948 ( -4.406 13.768 2.218) 14.625 6.385 ( 1.313 -6.308 4.202) 7.693 6.749 ( -13.664 -11.006 1.310) 17.594 6.764 ( -3.080 -3.096 1.940) 4.778 7.337 ( 4.101 3.420 -0.474) 5.361 8.343 ( -11.280 9.232 -2.576) 14.803 9.337 ( 23.983 -11.108 -2.526) 26.551 9.511 ( -6.476 -13.498 1.945) 15.097 11.722 ( -0.323 4.781 -0.773) 4.854 13.032 ( 1.926 0.414 1.666) 2.580 14.755 ( 10.078 14.984 -6.393) 19.156 15.435 ( -1.610 7.251 -0.396) 7.438 15.735 ( 0.066 -10.535 -0.730) 10.560 18.782 ( -10.127 -10.076 5.234) 15.214 19.991 ( 0.885 -0.768 -0.420) 1.244 ======================= Grid point 556 (211/344) ======================= q-point: (-0.20 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.882 ( -4.429 1.023 -0.723) 4.603 4.178 ( -14.629 8.117 2.297) 16.887 4.933 ( 9.833 1.948 -7.797) 12.699 5.934 ( -10.663 7.048 3.461) 13.242 6.315 ( -2.336 -10.411 -1.407) 10.763 6.469 ( -9.908 0.364 8.179) 12.853 6.696 ( -0.971 -5.831 3.511) 6.876 7.425 ( 3.017 1.784 -2.351) 4.220 8.373 ( 0.494 17.939 -2.762) 18.157 9.234 ( -1.966 -17.216 -1.219) 17.371 9.736 ( 25.473 -5.522 -1.223) 26.093 11.763 ( 1.032 0.928 2.926) 3.239 13.073 ( 2.672 -1.272 -0.267) 2.972 15.032 ( 6.470 14.046 -3.408) 15.836 15.339 ( -10.667 2.566 -12.576) 16.690 15.756 ( 8.750 -4.475 6.498) 11.781 18.551 ( -8.808 -6.982 6.742) 13.106 20.012 ( 2.328 -0.361 -0.385) 2.387 ======================= Grid point 557 (212/344) ======================= q-point: (-0.13 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.713 ( -15.859 0.680 0.290) 15.876 3.987 ( -12.079 -0.263 0.854) 12.112 5.039 ( 0.272 6.963 -7.980) 10.594 5.756 ( -12.242 -3.819 2.440) 13.053 6.159 ( -4.115 -3.297 0.882) 5.346 6.436 ( -5.058 5.493 10.866) 13.184 6.658 ( 2.900 -6.925 4.612) 8.811 7.501 ( 5.778 2.871 -1.695) 6.671 8.605 ( 8.756 4.723 -2.105) 10.169 9.090 ( 0.631 -3.350 -1.168) 3.603 10.114 ( 23.298 -1.056 -5.258) 23.907 11.792 ( 2.276 -3.412 2.936) 5.044 13.088 ( 1.789 -2.560 -3.374) 4.598 14.992 ( -15.748 -2.343 -7.006) 17.395 15.334 ( 9.874 8.870 -11.955) 17.863 15.916 ( 6.634 3.377 4.531) 8.714 18.406 ( -5.355 -4.236 13.882) 15.471 20.060 ( 3.621 -0.108 -0.676) 3.685 ======================= Grid point 566 (213/344) ======================= q-point: ( 0.47 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.904 ( 0.000 8.255 4.273) 9.295 3.190 ( 0.000 14.502 2.135) 14.659 4.391 ( -0.000 17.345 -3.798) 17.756 5.175 ( -0.000 8.198 -7.007) 10.784 6.274 ( 0.000 16.913 4.497) 17.501 7.088 ( -0.000 -0.823 -2.015) 2.176 7.181 ( 0.000 -18.892 2.317) 19.034 7.508 ( 0.000 -18.069 11.113) 21.213 8.009 ( 0.000 -30.369 -0.476) 30.373 10.161 ( 0.000 5.492 8.314) 9.964 11.461 ( -0.000 -3.346 -8.108) 8.771 11.577 ( -0.000 13.943 -30.712) 33.728 12.997 ( -0.000 8.880 -7.330) 11.515 13.287 ( -0.000 10.309 -1.842) 10.472 15.069 ( 0.000 -15.891 3.473) 16.266 16.018 ( 0.000 2.609 0.705) 2.703 19.590 ( 0.000 -15.785 21.827) 26.936 20.317 ( -0.000 -9.492 -1.480) 9.606 ======================= Grid point 567 (214/344) ======================= q-point: ( 0.53 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.064 ( 7.810 8.377 3.040) 11.850 3.392 ( 6.865 11.380 1.043) 13.331 4.530 ( -0.545 13.334 -2.105) 13.510 5.284 ( 6.479 7.496 -6.762) 11.995 6.420 ( -2.023 11.531 2.469) 11.965 6.857 ( -7.506 -6.351 8.813) 13.204 7.224 ( 4.059 -2.859 -0.779) 5.025 7.484 ( 10.905 -20.372 10.364) 25.325 7.742 ( 4.014 -26.222 -3.628) 26.774 10.124 ( -12.206 5.863 4.411) 14.242 11.111 ( -26.273 -3.116 -8.829) 27.891 11.675 ( 2.906 11.847 -21.905) 25.072 13.065 ( -0.257 6.833 -5.617) 8.849 13.505 ( 13.522 11.084 -1.855) 17.582 14.982 ( 5.475 -14.408 5.072) 16.226 16.042 ( -0.312 1.925 0.226) 1.963 19.483 ( -2.545 -15.866 16.872) 23.300 20.203 ( -2.781 -6.041 -2.763) 7.201 ======================= Grid point 568 (215/344) ======================= q-point: ( 0.60 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.356 ( 12.884 10.595 1.601) 16.758 3.647 ( 12.031 5.829 0.951) 13.403 4.622 ( -1.678 9.659 -0.377) 9.811 5.490 ( 11.149 6.876 -5.178) 14.085 6.461 ( -3.526 6.424 3.872) 8.288 6.812 ( 0.071 -0.832 8.382) 8.424 7.205 ( -3.965 -0.715 1.278) 4.227 7.408 ( 1.449 -20.936 1.712) 21.056 7.726 ( 22.122 -21.005 0.337) 30.507 9.919 ( -21.598 10.202 1.688) 23.946 10.524 ( -29.378 -8.009 -5.980) 31.032 11.734 ( -0.221 10.157 -16.354) 19.253 13.072 ( -3.202 4.534 -1.938) 5.880 13.910 ( 18.096 14.011 -3.686) 23.181 15.001 ( 9.500 -12.698 7.158) 17.399 16.035 ( -2.418 1.205 -0.925) 2.856 19.311 ( -5.107 -15.283 10.293) 19.121 20.093 ( -3.406 -2.711 -2.235) 4.893 ======================= Grid point 569 (216/344) ======================= q-point: ( 0.67 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.674 ( 8.993 10.420 0.583) 13.776 3.950 ( 19.190 1.726 0.601) 19.277 4.657 ( -3.939 6.400 1.249) 7.618 5.750 ( 12.447 6.268 -3.416) 14.348 6.471 ( -3.918 3.793 4.290) 6.939 6.828 ( 0.497 -3.049 2.914) 4.247 7.068 ( -7.025 -8.904 -0.508) 11.353 7.273 ( 0.386 -5.213 -0.001) 5.227 7.982 ( 26.723 -16.194 2.676) 31.361 9.596 ( -30.222 13.889 2.780) 33.377 9.962 ( -19.478 -11.923 -5.267) 23.437 11.758 ( -1.203 7.804 -10.523) 13.156 13.050 ( -2.810 2.584 0.597) 3.864 14.340 ( 14.866 15.912 -3.637) 22.078 15.109 ( 12.858 -10.137 8.490) 18.444 15.964 ( -6.236 0.377 -2.505) 6.731 19.087 ( -7.034 -13.295 3.915) 15.542 20.019 ( -2.408 -0.728 -0.902) 2.672 ======================= Grid point 570 (217/344) ======================= q-point: ( 0.73 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.856 ( 3.943 4.109 0.397) 5.708 4.341 ( 22.043 2.190 -1.969) 22.239 4.614 ( -8.532 4.963 3.360) 10.426 5.999 ( 10.109 5.345 -1.951) 11.600 6.398 ( -6.989 -2.987 2.620) 8.040 6.781 ( -0.804 -6.781 -1.521) 6.996 6.824 ( -8.725 -7.336 -2.155) 11.601 7.308 ( 2.921 3.032 1.673) 4.530 8.296 ( 19.282 -6.503 1.403) 20.397 9.250 ( -18.261 6.410 3.180) 19.613 9.583 ( -13.031 -5.738 -2.751) 14.501 11.773 ( -1.074 4.794 -4.823) 6.885 13.037 ( -1.102 0.919 1.445) 2.036 14.700 ( 10.310 14.555 -2.146) 17.966 15.308 ( 15.333 -5.930 8.187) 18.365 15.803 ( -10.835 -0.107 -4.315) 11.664 18.844 ( -7.637 -10.437 0.033) 12.932 19.987 ( -0.919 0.153 -0.093) 0.936 ======================= Grid point 571 (218/344) ======================= q-point: (-0.20 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.917 ( 0.708 0.738 0.045) 1.024 4.430 ( -7.659 -8.017 -0.065) 11.088 4.753 ( 12.310 12.925 0.023) 17.850 6.160 ( -1.764 5.779 0.042) 6.042 6.196 ( -3.663 -13.338 -0.085) 13.833 6.613 ( -5.440 -3.729 0.053) 6.596 6.717 ( -2.717 -1.973 0.034) 3.358 7.384 ( 1.914 0.843 -0.036) 2.092 8.450 ( 1.539 1.548 0.038) 2.183 9.213 ( 3.220 1.750 -1.489) 3.956 9.397 ( 0.191 1.192 1.615) 2.016 11.776 ( -0.800 0.930 -0.521) 1.333 13.037 ( 0.273 -0.483 0.581) 0.804 14.987 ( 8.662 11.907 -1.051) 14.762 15.482 ( 0.376 -14.946 2.027) 15.088 15.635 ( -0.828 11.924 -1.206) 12.014 18.627 ( -6.677 -7.460 -0.002) 10.012 19.987 ( 0.502 0.555 0.000) 0.748 ======================= Grid point 572 (219/344) ======================= q-point: (-0.13 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.898 ( -4.496 0.976 -0.208) 4.605 4.157 ( -11.931 -10.501 1.128) 15.934 5.043 ( 6.624 11.754 -3.551) 13.952 5.890 ( -11.154 -12.226 0.980) 16.578 6.194 ( -1.072 -0.273 0.310) 1.148 6.563 ( 0.514 -1.370 3.843) 4.112 6.668 ( -4.976 4.159 4.617) 7.961 7.402 ( 3.518 -2.552 -2.809) 5.175 8.444 ( 1.972 -8.655 -0.442) 8.888 9.204 ( -4.949 10.349 0.274) 11.475 9.716 ( 22.861 9.288 -3.312) 24.897 11.753 ( -0.701 -3.352 1.133) 3.607 13.034 ( 0.532 -1.606 -1.465) 2.237 15.162 ( -14.260 -12.914 -4.583) 19.777 15.245 ( 8.672 10.910 -2.241) 14.116 15.859 ( 7.734 8.661 2.223) 11.823 18.478 ( -3.945 -4.884 4.710) 7.849 20.013 ( 1.781 0.778 -0.338) 1.973 ======================= Grid point 582 (220/344) ======================= q-point: ( 0.53 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.056 ( 0.000 4.405 2.505) 5.068 3.455 ( 0.000 10.780 0.951) 10.822 4.656 ( 0.000 10.565 0.898) 10.603 5.261 ( -0.000 6.211 -8.553) 10.570 6.554 ( 0.000 9.097 0.669) 9.122 6.906 ( 0.000 -12.409 8.338) 14.950 7.010 ( 0.000 -9.511 8.018) 12.439 7.351 ( 0.000 -5.071 -0.086) 5.071 7.475 ( 0.000 -19.447 0.100) 19.447 10.254 ( 0.000 0.234 0.376) 0.443 11.392 ( -0.000 0.865 -2.560) 2.702 11.648 ( -0.000 13.315 -22.981) 26.560 13.094 ( -0.000 6.919 -8.252) 10.769 13.473 ( 0.000 6.888 3.816) 7.874 14.830 ( 0.000 -10.941 7.640) 13.344 16.061 ( 0.000 1.363 0.323) 1.400 19.400 ( 0.000 -15.743 10.976) 19.191 20.167 ( -0.000 -3.822 -2.349) 4.486 ======================= Grid point 583 (221/344) ======================= q-point: ( 0.60 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.200 ( 11.254 3.432 1.664) 11.882 3.589 ( 3.866 7.227 1.494) 8.331 4.744 ( -1.228 7.714 3.362) 8.504 5.353 ( 7.549 5.109 -8.232) 12.282 6.591 ( -3.446 4.172 3.474) 6.430 6.802 ( -0.668 -6.961 5.599) 8.958 7.092 ( 14.125 -12.379 7.780) 20.329 7.247 ( -1.910 -7.106 -5.653) 9.279 7.373 ( 1.182 -7.399 3.575) 8.302 10.183 ( -6.427 -0.255 -3.905) 7.525 11.063 ( -31.978 2.230 -0.862) 32.067 11.758 ( 2.589 10.792 -16.722) 20.070 13.144 ( -0.223 5.477 -5.538) 7.792 13.699 ( 16.636 7.317 2.324) 18.322 14.810 ( 3.816 -7.703 11.154) 14.083 16.069 ( -0.650 0.786 -0.272) 1.055 19.253 ( -2.442 -14.885 4.373) 15.705 20.114 ( -2.057 -1.482 -1.384) 2.889 ======================= Grid point 584 (222/344) ======================= q-point: ( 0.67 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.511 ( 19.280 3.353 0.468) 19.575 3.727 ( 5.791 1.803 1.844) 6.339 4.794 ( -2.577 5.472 5.540) 8.202 5.549 ( 12.698 3.515 -6.734) 14.797 6.567 ( -2.776 -3.000 6.342) 7.545 6.741 ( 0.869 -7.014 -4.215) 8.229 7.107 ( -5.429 -2.630 -6.038) 8.535 7.259 ( 2.049 1.643 5.738) 6.310 7.438 ( 20.161 -10.699 6.746) 23.800 10.016 ( -9.987 -0.406 -6.576) 11.964 10.447 ( -40.135 3.049 3.510) 40.403 11.811 ( -0.598 8.360 -12.752) 15.260 13.137 ( -3.532 3.370 -1.324) 5.058 14.154 ( 22.683 10.587 -0.039) 25.032 14.878 ( 6.411 -6.366 14.169) 16.805 16.042 ( -3.025 0.389 -1.558) 3.425 19.057 ( -4.348 -13.027 -1.733) 13.842 20.061 ( -2.774 0.225 -0.343) 2.804 ======================= Grid point 585 (223/344) ======================= q-point: (-0.27 -0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.817 ( 4.208 1.419 1.687) 4.751 3.915 ( 23.479 -3.139 -1.613) 23.743 4.807 ( -4.381 4.652 7.663) 9.978 5.788 ( 14.101 0.795 -5.045) 14.997 6.471 ( -3.436 -8.643 3.261) 9.856 6.654 ( 0.381 -7.425 -8.635) 11.395 6.928 ( -9.453 -1.694 -5.799) 11.218 7.318 ( 1.303 3.210 5.009) 6.091 7.850 ( 26.581 1.332 6.032) 27.289 9.702 ( -22.349 -10.649 -3.284) 24.973 9.910 ( -26.826 14.721 3.770) 30.831 11.820 ( -1.497 5.384 -8.268) 9.980 13.097 ( -3.570 1.660 1.079) 4.082 14.636 ( 17.292 13.894 -0.133) 22.182 15.012 ( 10.839 -7.458 15.151) 20.067 15.952 ( -6.839 0.743 -3.291) 7.626 18.839 ( -5.190 -10.550 -6.017) 13.208 20.023 ( -2.358 1.189 0.326) 2.661 ======================= Grid point 586 (224/344) ======================= q-point: (-0.20 -0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.873 ( 3.623 -3.178 0.868) 4.897 4.210 ( 14.608 -9.341 -3.427) 17.674 4.839 ( -0.852 9.088 8.523) 12.489 5.973 ( 9.915 -5.837 -3.226) 11.949 6.301 ( -6.987 -7.392 0.616) 10.190 6.576 ( 3.107 -4.874 -9.952) 11.508 6.736 ( -6.858 -3.041 -3.446) 8.256 7.392 ( 0.772 3.033 3.415) 4.632 8.341 ( 17.614 9.326 2.827) 20.130 9.219 ( -14.916 -8.671 1.294) 17.301 9.715 ( -16.884 15.974 2.451) 23.371 11.804 ( -1.905 1.705 -3.997) 4.745 13.061 ( -2.413 0.448 1.839) 3.067 14.994 ( 7.156 14.179 3.671) 16.301 15.203 ( 13.690 -11.777 10.387) 20.833 15.821 ( -7.695 5.109 -4.672) 10.351 18.633 ( -4.553 -8.000 -7.348) 11.778 20.007 ( -1.363 1.674 0.517) 2.220 ======================= Grid point 598 (225/344) ======================= q-point: ( 0.60 0.60 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.118 ( 0.000 0.320 1.352) 1.389 3.630 ( 0.000 4.987 2.894) 5.766 4.837 ( 0.000 4.905 6.186) 7.894 5.297 ( -0.000 4.280 -9.539) 10.455 6.669 ( 0.000 -0.342 2.894) 2.914 6.792 ( -0.000 -10.994 -2.568) 11.290 6.812 ( 0.000 -5.138 12.989) 13.968 7.193 ( 0.000 -3.456 0.009) 3.456 7.358 ( -0.000 -1.081 -0.140) 1.090 10.190 ( -0.000 -2.953 -7.951) 8.482 11.446 ( 0.000 3.332 3.958) 5.174 11.754 ( -0.000 11.964 -16.446) 20.337 13.161 ( -0.000 6.306 -7.918) 10.123 13.594 ( 0.000 1.308 5.186) 5.348 14.790 ( 0.000 -1.487 16.240) 16.308 16.078 ( -0.000 0.198 -0.113) 0.228 19.134 ( -0.000 -13.862 -1.928) 13.995 20.121 ( -0.000 -0.049 -0.565) 0.567 ======================= Grid point 599 (226/344) ======================= q-point: (-0.33 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.226 ( 12.404 -1.737 0.555) 12.537 3.695 ( 2.219 0.978 3.824) 4.528 4.891 ( -1.031 2.407 8.271) 8.676 5.367 ( 7.651 2.925 -8.840) 12.051 6.541 ( -4.025 -12.485 3.939) 13.696 6.710 ( -1.704 0.220 -6.519) 6.742 7.028 ( 17.890 -0.440 10.518) 20.758 7.163 ( -2.781 1.254 -1.916) 3.602 7.332 ( -1.641 -0.260 2.476) 2.982 10.083 ( -4.567 -3.567 -10.067) 11.616 11.163 ( -32.305 5.161 5.298) 33.141 11.846 ( 1.142 9.084 -12.893) 15.813 13.209 ( -0.630 4.811 -4.106) 6.356 13.808 ( 21.117 1.721 2.895) 21.384 14.874 ( 0.728 2.089 20.557) 20.676 16.070 ( -0.877 -0.255 -0.751) 1.182 18.966 ( -1.948 -12.176 -7.791) 14.586 20.110 ( -1.800 1.246 0.036) 2.189 ======================= Grid point 600 (227/344) ======================= q-point: (-0.27 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.482 ( 19.723 -5.769 -0.676) 20.561 3.755 ( 4.034 -1.730 3.404) 5.555 4.915 ( -1.582 0.393 9.940) 10.073 5.533 ( 12.296 0.388 -7.272) 14.291 6.380 ( -1.626 -10.804 -0.458) 10.935 6.614 ( -3.400 -5.053 -7.146) 9.389 7.058 ( -8.518 0.384 -7.118) 11.108 7.321 ( 5.160 -1.749 6.332) 8.353 7.522 ( 20.097 14.812 8.961) 26.525 9.871 ( -11.213 -6.182 -8.604) 15.426 10.631 ( -36.140 9.080 6.989) 37.913 11.872 ( -1.615 6.478 -10.210) 12.200 13.189 ( -4.062 2.224 -0.010) 4.631 14.295 ( 28.210 3.184 1.464) 28.426 15.000 ( 0.431 4.251 22.721) 23.119 16.028 ( -3.084 -0.234 -2.249) 3.824 18.771 ( -3.067 -10.159 -12.391) 16.314 20.088 ( -2.695 2.188 0.423) 3.497 ======================= Grid point 601 (228/344) ======================= q-point: (-0.20 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.680 ( 11.935 -12.696 -0.152) 17.426 3.880 ( 12.232 -2.804 0.099) 12.550 4.936 ( -0.163 0.509 10.667) 10.681 5.712 ( 11.886 -4.296 -5.111) 13.633 6.261 ( -0.840 -8.675 -1.688) 8.878 6.468 ( -1.794 -5.957 -9.135) 11.053 6.853 ( -10.356 -1.137 -7.157) 12.640 7.416 ( 2.535 3.884 4.057) 6.162 8.125 ( 23.546 19.277 5.935) 31.004 9.476 ( -21.515 -9.716 -2.257) 23.715 10.244 ( -24.154 14.753 5.273) 28.790 11.851 ( -2.884 3.542 -6.569) 8.001 13.134 ( -4.037 0.759 2.184) 4.652 14.781 ( 23.259 -1.009 2.730) 23.441 15.144 ( 0.238 7.172 21.062) 22.251 15.948 ( -4.928 1.750 -4.143) 6.672 18.573 ( -2.877 -8.234 -14.791) 17.171 20.067 ( -2.614 2.763 0.631) 3.856 ======================= Grid point 614 (229/344) ======================= q-point: (-0.33 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.087 ( 0.000 -4.122 0.264) 4.131 3.682 ( 0.000 -3.423 5.228) 6.249 4.943 ( 0.000 -0.780 10.154) 10.184 5.293 ( -0.000 2.447 -9.154) 9.476 6.503 ( -0.000 -7.395 -1.094) 7.476 6.695 ( -0.000 -3.760 -8.466) 9.263 6.896 ( 0.000 2.705 15.646) 15.878 7.214 ( -0.000 3.844 -4.617) 6.007 7.370 ( 0.000 4.297 5.487) 6.969 10.040 ( -0.000 -4.091 -12.158) 12.828 11.559 ( 0.000 3.507 6.588) 7.464 11.870 ( -0.000 10.139 -11.908) 15.640 13.238 ( -0.000 6.478 -5.671) 8.610 13.614 ( 0.000 -1.956 4.683) 5.075 15.003 ( 0.000 5.781 25.947) 26.584 16.069 ( -0.000 -0.837 -0.403) 0.929 18.826 ( -0.000 -10.772 -13.677) 17.409 20.144 ( 0.000 2.261 0.153) 2.266 ======================= Grid point 615 (230/344) ======================= q-point: (-0.27 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.138 ( 11.539 -7.060 -0.529) 13.537 3.666 ( 2.599 -7.662 5.019) 9.521 4.954 ( -0.480 -4.120 11.088) 11.838 5.339 ( 6.839 0.684 -8.060) 10.593 6.384 ( -6.250 -1.475 -2.467) 6.879 6.569 ( -2.437 -9.132 -6.809) 11.649 7.148 ( 5.327 3.394 5.610) 8.448 7.166 ( 2.948 1.521 -2.487) 4.146 7.532 ( 5.257 16.930 8.614) 19.710 9.911 ( -4.547 -4.999 -11.579) 13.406 11.321 ( -29.296 5.467 6.723) 30.550 11.925 ( -0.741 7.569 -10.237) 12.753 13.267 ( -2.163 2.492 -1.615) 3.674 13.852 ( 23.885 1.779 3.310) 24.179 15.168 ( -0.826 7.258 29.147) 30.048 16.048 ( -1.012 -1.120 -1.074) 1.853 18.652 ( -1.347 -9.165 -18.759) 20.922 20.156 ( -1.757 3.129 0.168) 3.593 ======================= Grid point 616 (231/344) ======================= q-point: (-0.20 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.286 ( 15.325 -12.863 -1.175) 20.042 3.677 ( 7.225 -9.000 3.016) 11.929 4.937 ( 0.783 -7.037 10.946) 13.036 5.458 ( 10.215 -2.720 -6.176) 12.243 6.264 ( -6.137 1.541 -3.166) 7.075 6.400 ( -2.338 -10.298 -5.595) 11.951 6.988 ( -9.123 -0.727 -9.495) 13.188 7.414 ( 5.536 6.730 6.642) 10.957 7.999 ( 18.685 24.876 7.084) 31.908 9.675 ( -12.392 -7.200 -6.386) 15.690 10.866 ( -30.547 8.732 5.649) 32.269 11.923 ( -2.968 5.685 -7.608) 9.950 13.216 ( -3.878 -0.438 1.235) 4.093 14.356 ( 26.650 2.069 4.370) 27.085 15.334 ( -1.677 8.100 28.727) 29.894 16.003 ( -2.329 -0.103 -2.740) 3.597 18.461 ( -1.715 -7.845 -22.170) 23.580 20.150 ( -2.780 3.744 0.231) 4.669 ======================= Grid point 630 (232/344) ======================= q-point: (-0.27 -0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.954 ( -0.000 -8.894 -1.008) 8.951 3.554 ( 0.000 -13.542 5.172) 14.497 4.932 ( 0.000 -9.473 10.964) 14.490 5.255 ( -0.000 0.034 -7.643) 7.643 6.446 ( -0.000 -9.291 -1.615) 9.430 6.492 ( -0.000 4.898 -10.313) 11.417 7.158 ( 0.000 11.134 16.694) 20.066 7.161 ( -0.000 -1.306 -10.545) 10.625 7.705 ( 0.000 20.426 9.082) 22.354 9.852 ( -0.000 -5.001 -12.951) 13.883 11.672 ( 0.000 2.830 5.725) 6.386 11.973 ( -0.000 7.886 -9.070) 12.019 13.296 ( -0.000 0.200 -1.606) 1.619 13.658 ( 0.000 5.505 3.896) 6.744 15.374 ( 0.000 7.561 34.401) 35.222 16.039 ( -0.000 -1.774 -0.413) 1.822 18.495 ( -0.000 -7.858 -24.706) 25.926 20.207 ( -0.000 3.962 -0.187) 3.966 ======================= Grid point 631 (233/344) ======================= q-point: (-0.20 -0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.932 ( 9.249 -12.736 -1.649) 15.826 3.454 ( 4.836 -16.661 3.546) 17.707 4.850 ( 0.853 -15.342 9.465) 18.047 5.271 ( 5.613 -2.066 -6.318) 8.700 6.294 ( -0.966 -13.414 -2.464) 13.672 6.476 ( -9.813 13.469 -5.289) 17.483 7.063 ( -4.757 -0.687 -11.294) 12.274 7.438 ( 6.982 13.915 12.509) 19.972 8.038 ( 9.128 25.829 7.654) 28.444 9.718 ( -4.194 -5.765 -10.006) 12.286 11.459 ( -25.816 3.523 4.104) 26.377 12.000 ( -1.615 6.662 -7.315) 10.025 13.251 ( -1.956 -4.104 0.137) 4.548 13.984 ( 22.138 9.253 4.394) 24.393 15.567 ( -1.984 6.818 36.637) 37.319 16.013 ( -0.564 -1.358 -0.777) 1.664 18.311 ( -0.837 -6.876 -29.412) 30.217 20.233 ( -1.781 4.592 -0.381) 4.940 ======================= Grid point 646 (234/344) ======================= q-point: (-0.20 -0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.711 ( -0.000 -14.158 -2.373) 14.355 3.221 ( 0.000 -22.200 2.316) 22.321 4.674 ( 0.000 -24.024 7.058) 25.039 5.177 ( -0.000 -2.678 -5.824) 6.411 6.154 ( 0.000 -15.160 1.262) 15.213 6.741 ( -0.000 22.508 -9.439) 24.407 7.061 ( -0.000 1.359 -11.807) 11.885 7.587 ( 0.000 18.735 16.390) 24.893 8.255 ( 0.000 26.902 8.580) 28.237 9.653 ( -0.000 -5.389 -11.012) 12.260 11.747 ( 0.000 1.254 2.362) 2.675 12.042 ( -0.000 4.957 -7.128) 8.682 13.199 ( 0.000 -8.690 0.297) 8.695 13.920 ( 0.000 16.620 3.887) 17.069 15.805 ( 0.000 5.753 43.521) 43.900 15.993 ( 0.000 -2.568 -0.094) 2.569 18.130 ( -0.000 -5.925 -35.906) 36.392 20.296 ( -0.000 5.247 -0.834) 5.313 ======================= Grid point 727 (235/344) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( 0.000 -0.000 30.412) 30.412 1.125 ( 0.000 -0.000 30.412) 30.412 1.785 ( 0.000 -0.000 48.160) 48.160 4.624 ( -0.000 0.000 -5.972) 5.972 4.624 ( -0.000 0.000 -5.972) 5.972 8.797 ( -0.000 0.000 -16.049) 16.049 8.996 ( 0.000 0.000 1.484) 1.484 8.996 ( 0.000 -0.000 1.484) 1.484 9.780 ( -0.000 0.000 -12.393) 12.393 9.780 ( -0.000 0.000 -12.393) 12.393 11.353 ( -0.000 0.000 -4.258) 4.258 11.550 ( 0.000 -0.000 8.739) 8.739 11.550 ( 0.000 -0.000 8.739) 8.739 11.787 ( 0.000 -0.000 5.157) 5.157 15.737 ( -0.000 0.000 -0.549) 0.549 15.737 ( -0.000 0.000 -0.549) 0.549 20.802 ( 0.000 -0.000 2.064) 2.064 22.578 ( 0.000 -0.000 0.500) 0.500 ======================= Grid point 728 (236/344) ======================= q-point: ( 0.27 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( 10.343 5.972 25.795) 28.426 1.402 ( 8.801 5.081 29.926) 31.605 2.245 ( 23.623 13.639 33.376) 43.105 4.610 ( 1.652 0.954 -6.364) 6.644 4.740 ( 10.769 6.217 -4.583) 13.252 7.766 ( -33.464 -19.320 8.147) 39.490 8.833 ( -7.753 -4.476 -2.343) 9.254 9.176 ( -30.387 -17.544 -11.622) 36.963 10.014 ( 8.864 5.118 -7.056) 12.432 10.293 ( 39.391 22.743 -30.964) 55.024 10.992 ( -10.232 -5.907 -8.168) 14.363 11.406 ( -7.213 -4.165 7.206) 11.014 11.933 ( 9.596 5.541 3.594) 11.649 12.251 ( 34.359 19.837 -10.861) 41.134 15.745 ( 1.440 0.831 -0.610) 1.771 15.770 ( 2.291 1.323 -0.320) 2.664 20.706 ( -9.649 -5.571 3.753) 11.756 21.862 ( -46.451 -26.818 33.725) 63.358 ======================= Grid point 729 (237/344) ======================= q-point: ( 0.33 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( 16.154 9.326 18.616) 26.353 1.755 ( 12.962 7.484 24.186) 28.443 2.989 ( 30.793 17.778 14.648) 38.456 4.646 ( 3.337 1.927 -6.045) 7.169 5.068 ( 17.626 10.176 -0.217) 20.354 7.202 ( -19.243 -11.110 -0.035) 22.220 8.403 ( -31.379 -18.117 -4.457) 36.506 8.621 ( -9.190 -5.306 -5.946) 12.164 10.122 ( 1.185 0.684 1.595) 2.102 10.273 ( -20.198 -11.661 0.801) 23.336 11.118 ( 16.379 9.456 -38.294) 42.710 11.298 ( -3.028 -1.748 1.921) 3.989 12.208 ( 12.648 7.302 0.639) 14.618 12.864 ( 23.520 13.579 -23.997) 36.242 15.780 ( 1.405 0.811 -1.759) 2.392 15.835 ( 3.167 1.828 -0.019) 3.657 20.397 ( -18.918 -10.922 18.372) 28.543 21.139 ( -27.256 -15.736 33.269) 45.797 ======================= Grid point 730 (238/344) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( 16.581 9.573 12.986) 23.135 2.179 ( 17.028 9.831 14.896) 24.667 3.727 ( 29.706 17.151 1.318) 34.327 4.710 ( 3.775 2.180 -4.959) 6.603 5.516 ( 19.544 11.284 4.480) 23.008 6.820 ( -12.984 -7.496 -5.456) 15.955 7.769 ( -22.893 -13.218 6.615) 27.250 8.365 ( -10.430 -6.022 -8.936) 14.996 9.733 ( -25.571 -14.763 0.357) 29.529 10.089 ( -5.464 -3.155 10.344) 12.117 11.229 ( 6.032 3.483 -33.526) 34.242 11.291 ( 2.602 1.502 -4.267) 5.218 12.479 ( 10.346 5.973 -3.356) 12.409 13.198 ( 14.115 8.149 -20.711) 26.355 15.773 ( -1.140 -0.658 -4.920) 5.094 15.910 ( 3.145 1.815 0.251) 3.640 20.058 ( -17.872 -10.318 31.581) 37.725 20.735 ( -17.270 -9.971 14.596) 24.712 ======================= Grid point 731 (239/344) ======================= q-point: ( 0.47 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.578 ( 14.272 8.240 8.617) 18.597 2.643 ( 19.221 11.097 6.901) 23.243 4.355 ( 25.275 14.593 -7.501) 30.134 4.776 ( 3.182 1.837 -2.957) 4.717 5.968 ( 16.866 9.738 7.119) 20.736 6.581 ( -5.964 -3.443 -2.023) 7.178 7.398 ( -13.129 -7.580 14.526) 20.996 8.078 ( -10.809 -6.240 -11.131) 16.723 9.106 ( -28.062 -16.202 -3.053) 32.547 9.979 ( -7.553 -4.361 14.790) 17.170 11.196 ( 1.933 1.116 -26.706) 26.799 11.368 ( 5.481 3.164 -7.224) 9.604 12.643 ( 5.282 3.050 -5.309) 8.086 13.412 ( 10.329 5.963 -12.236) 17.087 15.694 ( -2.955 -1.706 -9.810) 10.386 15.977 ( 2.511 1.450 0.425) 2.930 19.793 ( -16.738 -9.664 35.020) 40.000 20.428 ( -11.627 -6.713 1.545) 13.515 ======================= Grid point 732 (240/344) ======================= q-point: ( 0.53 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.892 ( 10.414 6.013 4.850) 12.967 3.105 ( 18.995 10.967 1.254) 21.969 4.830 ( 19.004 10.972 -13.036) 25.524 4.834 ( 2.326 1.343 0.088) 2.688 6.307 ( 8.947 5.165 5.837) 11.866 6.547 ( 2.749 1.587 6.965) 7.654 7.245 ( -5.816 -3.358 17.157) 18.425 7.792 ( -9.673 -5.585 -12.857) 17.031 8.420 ( -29.236 -16.880 -7.360) 34.552 9.871 ( -6.565 -3.790 15.722) 17.455 11.155 ( 2.487 1.436 -17.651) 17.883 11.474 ( 5.816 3.358 -7.553) 10.107 12.703 ( 1.913 1.105 -2.366) 3.237 13.588 ( 7.706 4.449 -6.108) 10.793 15.585 ( -1.764 -1.018 -15.427) 15.561 16.027 ( 1.637 0.945 0.493) 1.953 19.518 ( -18.030 -10.410 30.053) 36.560 20.224 ( -5.713 -3.298 -2.893) 7.203 ======================= Grid point 733 (241/344) ======================= q-point: ( 0.60 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.090 ( 5.556 3.208 1.546) 6.599 3.509 ( 15.522 8.962 -2.553) 18.105 4.891 ( 2.173 1.255 3.869) 4.612 5.132 ( 11.957 6.904 -16.268) 21.338 6.430 ( 1.810 1.045 5.542) 5.922 6.719 ( 6.375 3.680 12.462) 14.473 7.220 ( -3.162 -1.825 14.087) 14.552 7.545 ( -6.968 -4.023 -14.584) 16.656 7.732 ( -25.489 -14.716 -10.487) 31.245 9.798 ( -4.808 -2.776 15.191) 16.174 11.199 ( 5.521 3.188 -6.797) 9.319 11.572 ( 4.920 2.841 -6.835) 8.888 12.745 ( 2.142 1.236 3.432) 4.230 13.710 ( 4.169 2.407 -3.380) 5.882 15.519 ( 2.289 1.321 -20.336) 20.507 16.057 ( 0.772 0.446 0.477) 1.011 19.189 ( -18.450 -10.652 20.900) 29.845 20.132 ( -1.798 -1.038 -1.559) 2.597 ======================= Grid point 734 (242/344) ======================= q-point: ( 0.67 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.159 ( 0.296 0.171 -0.699) 0.778 3.773 ( 7.881 4.550 -4.961) 10.365 4.971 ( 2.890 1.669 7.289) 8.017 5.266 ( 5.224 3.016 -17.195) 18.223 6.472 ( -0.598 -0.345 7.998) 8.028 6.875 ( 0.879 0.508 13.978) 14.015 6.979 ( -16.968 -9.797 -5.409) 20.326 7.369 ( -3.001 -1.733 -16.346) 16.710 7.416 ( 0.573 0.331 0.040) 0.663 9.759 ( -3.532 -2.039 14.329) 14.898 11.359 ( 8.633 4.984 3.379) 10.526 11.647 ( 3.638 2.101 -5.885) 7.231 12.849 ( 5.138 2.966 8.402) 10.285 13.750 ( 0.389 0.225 -3.034) 3.067 15.545 ( 7.151 4.129 -23.913) 25.298 16.067 ( -0.006 -0.003 0.413) 0.413 18.835 ( -17.677 -10.206 14.530) 25.055 20.115 ( 0.391 0.226 -0.221) 0.503 ======================= Grid point 735 (243/344) ======================= q-point: (-0.27 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.104 ( -4.519 -2.609 -1.214) 5.358 3.814 ( -2.789 -1.610 -5.611) 6.470 5.074 ( 3.083 1.780 9.036) 9.711 5.247 ( -1.515 -0.875 -15.880) 15.976 6.425 ( -6.026 -3.479 6.908) 9.804 6.604 ( -8.613 -4.973 -2.140) 10.173 6.984 ( 0.720 0.416 12.849) 12.876 7.293 ( 2.306 1.332 -17.653) 17.853 7.523 ( 8.928 5.154 -4.948) 11.435 9.736 ( -3.210 -1.853 13.464) 13.965 11.604 ( 9.846 5.685 9.666) 14.923 11.697 ( 2.486 1.435 -4.942) 5.715 13.045 ( 8.272 4.776 10.337) 14.075 13.715 ( -1.841 -1.063 -3.785) 4.342 15.655 ( 10.301 5.947 -27.830) 30.265 16.060 ( -0.735 -0.425 0.329) 0.911 18.496 ( -15.906 -9.184 13.842) 22.999 20.143 ( 1.923 1.110 0.236) 2.233 ======================= Grid point 736 (244/344) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.949 ( -8.575 -4.951 -0.055) 9.902 3.610 ( -12.691 -7.327 -4.473) 15.322 5.065 ( -9.976 -5.760 -12.326) 16.871 5.162 ( 1.156 0.667 8.452) 8.556 6.376 ( -2.563 -1.480 8.388) 8.895 6.453 ( -1.507 -0.870 -1.611) 2.371 7.024 ( -1.140 -0.658 13.295) 13.360 7.356 ( 9.160 5.288 -17.745) 20.658 7.806 ( 17.690 10.213 -8.503) 22.125 9.706 ( -3.760 -2.171 12.462) 13.196 11.727 ( 1.676 0.968 -3.869) 4.325 11.859 ( 8.239 4.757 10.555) 14.210 13.249 ( 3.815 2.203 6.642) 7.970 13.695 ( 3.731 2.154 -2.713) 5.091 15.778 ( 9.773 5.642 -35.007) 36.781 16.036 ( -1.477 -0.853 0.227) 1.720 18.229 ( -12.118 -6.996 21.061) 25.286 20.204 ( 3.255 1.879 0.391) 3.779 ======================= Grid point 743 (245/344) ======================= q-point: ( 0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( 0.000 16.792 26.712) 31.552 1.543 ( 0.000 14.779 24.097) 28.268 2.307 ( 0.000 16.129 34.607) 38.181 4.632 ( -0.000 4.539 -6.598) 8.008 4.675 ( -0.000 10.500 -4.909) 11.591 7.766 ( 0.000 -35.043 4.016) 35.273 9.101 ( 0.000 -6.063 0.069) 6.064 9.364 ( -0.000 -7.392 -8.151) 11.004 9.578 ( -0.000 -6.398 -15.617) 16.877 10.102 ( -0.000 27.995 -21.930) 35.562 10.929 ( -0.000 -11.558 -9.530) 14.980 11.743 ( 0.000 4.306 5.678) 7.126 11.974 ( 0.000 14.498 2.713) 14.750 12.003 ( -0.000 26.737 -5.403) 27.277 15.741 ( -0.000 1.536 -0.450) 1.601 15.759 ( -0.000 1.132 0.005) 1.132 20.714 ( 0.000 -11.103 3.383) 11.607 21.966 ( 0.000 -48.554 27.430) 55.766 ======================= Grid point 744 (246/344) ======================= q-point: ( 0.33 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( 2.475 16.346 20.728) 26.513 1.823 ( 5.267 17.520 24.161) 30.306 2.787 ( 19.749 19.681 17.753) 33.053 4.645 ( -0.387 6.828 -6.229) 9.250 4.915 ( 12.358 13.750 -1.315) 18.534 7.370 ( -13.421 -17.734 0.209) 22.241 8.568 ( -24.691 -22.246 -7.326) 34.033 9.077 ( -27.111 11.677 -0.331) 29.521 9.741 ( 24.078 -21.539 -7.127) 33.083 10.221 ( 2.558 -19.978 -2.881) 20.346 10.961 ( 8.650 20.359 -34.078) 40.628 11.521 ( -18.666 4.209 4.512) 19.660 12.176 ( 4.670 14.811 1.228) 15.578 12.537 ( 23.397 18.058 -14.786) 33.047 15.764 ( 0.783 0.802 -0.596) 1.269 15.796 ( 2.803 1.333 0.535) 3.149 20.526 ( -7.520 -16.156 9.023) 19.974 21.449 ( -18.347 -33.236 33.162) 50.407 ======================= Grid point 745 (247/344) ======================= q-point: ( 0.40 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( 8.378 11.874 18.468) 23.500 2.217 ( 8.032 21.087 15.340) 27.285 3.425 ( 25.476 18.736 2.344) 31.710 4.707 ( 0.962 8.187 -4.986) 9.634 5.328 ( 17.546 14.092 3.692) 22.805 6.975 ( -15.306 -8.562 -4.500) 18.107 7.945 ( -18.252 -21.536 1.297) 28.260 8.724 ( -26.800 12.752 -3.246) 29.856 9.747 ( -0.543 -30.680 8.031) 31.719 9.993 ( 6.562 -17.959 -9.709) 21.445 11.118 ( -1.624 13.070 -23.548) 26.981 11.326 ( -4.427 2.359 -7.755) 9.236 12.412 ( 6.145 11.812 -0.999) 13.352 12.972 ( 16.466 13.286 -18.045) 27.808 15.764 ( -0.223 -1.604 -1.670) 2.326 15.871 ( 3.291 1.854 0.509) 3.811 20.255 ( -9.833 -15.896 18.754) 26.478 20.981 ( -17.876 -19.847 22.923) 35.198 ======================= Grid point 746 (248/344) ======================= q-point: ( 0.47 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.455 ( 12.668 11.313 11.592) 20.563 2.620 ( 8.758 20.422 9.618) 24.213 4.028 ( 25.060 14.817 -7.089) 29.964 4.796 ( 0.643 9.513 -2.823) 9.944 5.792 ( 17.814 11.348 6.615) 22.133 6.671 ( -9.871 -3.727 -2.788) 10.913 7.538 ( -10.715 -14.591 10.152) 20.755 8.375 ( -24.442 10.014 -6.673) 27.244 9.283 ( -17.215 -27.029 2.385) 32.134 9.951 ( 6.687 -16.524 0.336) 17.829 11.050 ( -1.401 -1.617 -10.386) 10.604 11.320 ( 1.811 5.941 -19.128) 20.111 12.594 ( 4.242 7.700 -2.965) 9.278 13.276 ( 11.596 12.499 -14.144) 22.153 15.701 ( -3.147 -2.814 -4.427) 6.117 15.944 ( 2.951 1.315 0.215) 3.238 20.022 ( -9.965 -14.149 26.040) 31.266 20.587 ( -15.250 -13.017 8.388) 21.733 ======================= Grid point 747 (249/344) ======================= q-point: ( 0.53 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.821 ( 11.508 11.414 5.855) 17.234 3.002 ( 9.990 18.183 4.846) 21.305 4.519 ( 21.267 9.278 -11.823) 26.042 4.895 ( -0.424 11.134 -0.292) 11.146 6.184 ( 13.351 5.950 5.875) 15.753 6.565 ( -0.867 1.132 5.116) 5.311 7.335 ( -4.945 -8.960 13.925) 17.282 8.027 ( -21.662 6.696 -9.493) 24.581 8.674 ( -23.892 -21.612 -3.877) 32.449 9.888 ( 2.376 -14.058 8.917) 16.816 11.001 ( 5.392 -6.410 -11.810) 14.479 11.342 ( 3.384 2.265 -13.366) 13.972 12.700 ( 1.928 5.504 -1.550) 6.035 13.530 ( 7.869 13.327 -9.569) 18.196 15.576 ( -4.698 -2.546 -8.954) 10.428 16.000 ( 2.448 0.458 0.056) 2.492 19.785 ( -13.754 -14.829 28.558) 34.995 20.284 ( -8.533 -6.801 -2.569) 11.210 ======================= Grid point 748 (250/344) ======================= q-point: ( 0.60 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.097 ( 4.695 11.823 2.264) 12.921 3.367 ( 11.950 13.804 0.375) 18.262 4.845 ( 12.698 4.165 -9.088) 16.161 5.013 ( 1.449 12.123 -2.212) 12.408 6.392 ( 5.757 0.642 4.420) 7.286 6.688 ( 6.185 3.862 11.210) 13.372 7.270 ( -0.925 -5.352 13.287) 14.354 7.676 ( -18.446 -1.095 -11.937) 21.999 8.029 ( -26.156 -11.583 -8.955) 29.975 9.835 ( 0.808 -10.078 13.456) 16.831 11.024 ( 11.216 -9.429 -9.237) 17.321 11.386 ( 5.560 -1.321 -7.040) 9.067 12.782 ( 1.202 6.013 2.560) 6.645 13.735 ( 2.940 14.244 -6.380) 15.883 15.445 ( -2.348 -1.214 -14.429) 14.669 16.037 ( 1.776 -0.358 0.014) 1.811 19.457 ( -17.246 -14.551 21.152) 30.928 20.138 ( -2.255 -3.035 -2.522) 4.545 ======================= Grid point 749 (251/344) ======================= q-point: ( 0.67 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.236 ( -2.178 10.909 -0.075) 11.124 3.665 ( 9.227 8.209 -3.082) 12.729 5.005 ( 3.844 5.248 0.778) 6.552 5.147 ( 3.906 7.531 -9.676) 12.868 6.484 ( 2.399 0.085 6.741) 7.156 6.862 ( 5.462 0.537 11.396) 12.649 7.153 ( -18.425 -14.241 -1.464) 23.333 7.328 ( -0.645 -2.413 -4.164) 4.856 7.585 ( -16.696 5.333 -11.520) 20.974 9.814 ( -0.295 -6.152 14.533) 15.784 11.131 ( 17.709 -14.805 -4.654) 23.547 11.460 ( 6.094 -0.569 -0.594) 6.149 12.896 ( 2.234 7.555 6.516) 10.224 13.859 ( -3.389 15.036 -4.415) 16.033 15.383 ( 3.353 0.678 -19.820) 20.113 16.055 ( 1.064 -1.130 0.078) 1.554 19.082 ( -17.343 -12.734 14.281) 25.824 20.098 ( 0.510 -1.549 -0.635) 1.750 ======================= Grid point 750 (252/344) ======================= q-point: (-0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.243 ( -7.982 8.825 -0.919) 11.934 3.801 ( 1.809 2.116 -5.091) 5.802 5.113 ( 2.303 4.203 0.673) 4.840 5.205 ( -0.532 5.137 -7.032) 8.725 6.497 ( -4.401 -4.837 8.257) 10.533 6.689 ( -11.542 -9.868 -5.563) 16.172 6.975 ( 3.930 -2.416 11.602) 12.485 7.345 ( -4.989 11.767 -13.975) 18.938 7.429 ( 1.698 0.957 -4.339) 4.757 9.803 ( -1.421 -4.146 13.554) 14.245 11.279 ( 21.346 -21.639 -4.245) 30.691 11.595 ( 6.321 3.997 7.305) 10.454 13.059 ( 4.341 7.430 8.114) 11.827 13.890 ( -8.966 16.414 -3.569) 19.041 15.424 ( 8.762 2.560 -24.959) 26.576 16.053 ( 0.411 -1.889 0.367) 1.967 18.725 ( -15.765 -10.526 12.661) 22.795 20.110 ( 2.097 -0.640 -0.000) 2.193 ======================= Grid point 751 (253/344) ======================= q-point: (-0.20 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.136 ( -12.414 5.844 -0.195) 13.722 3.725 ( -7.959 -2.452 -5.134) 9.783 5.091 ( -3.710 -2.923 -12.684) 13.535 5.244 ( -2.437 7.167 8.144) 11.119 6.352 ( -0.447 -6.594 3.723) 7.586 6.510 ( -6.345 -5.896 2.886) 9.129 7.038 ( 2.079 -4.489 11.962) 12.944 7.315 ( -1.563 10.827 -15.394) 18.885 7.624 ( 12.881 12.709 -7.249) 19.493 9.777 ( -2.314 -4.520 11.948) 12.983 11.390 ( 19.151 -22.595 -5.238) 30.079 11.802 ( 7.842 4.235 10.808) 14.009 13.225 ( 4.530 2.548 5.538) 7.595 13.885 ( -9.982 20.686 -2.689) 23.125 15.519 ( 10.142 3.193 -31.320) 33.076 16.036 ( -0.160 -2.243 1.004) 2.463 18.442 ( -12.174 -7.752 17.688) 22.829 20.156 ( 3.454 0.098 0.118) 3.458 ======================= Grid point 759 (254/344) ======================= 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 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.017 ( 0.000 16.264 16.355) 23.065 2.066 ( 0.000 19.548 22.628) 29.902 2.886 ( 0.000 23.568 12.559) 26.705 4.705 ( -0.000 7.682 -6.799) 10.258 4.964 ( 0.000 19.249 0.931) 19.271 7.308 ( -0.000 -14.132 -3.000) 14.447 8.648 ( -0.000 -24.656 -9.115) 26.287 9.117 ( -0.000 -26.118 -6.820) 26.994 9.494 ( 0.000 10.121 7.263) 12.457 9.951 ( 0.000 -26.076 1.477) 26.118 10.931 ( -0.000 22.772 -40.570) 46.524 11.793 ( -0.000 -1.376 -0.230) 1.396 12.298 ( -0.000 15.971 -1.073) 16.007 12.436 ( -0.000 21.905 -9.348) 23.817 15.753 ( 0.000 -2.952 1.158) 3.171 15.791 ( -0.000 3.418 0.153) 3.422 20.442 ( 0.000 -19.322 10.824) 22.147 21.369 ( 0.000 -33.403 28.983) 44.224 ======================= Grid point 760 (255/344) ======================= q-point: ( 0.40 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 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.221 ( 0.554 13.733 15.971) 21.071 2.388 ( 5.067 20.389 15.790) 26.281 3.290 ( 13.624 23.570 1.422) 27.261 4.770 ( 0.765 9.746 -5.828) 11.382 5.265 ( 9.539 19.336 4.373) 22.000 7.097 ( -9.379 -7.679 -5.803) 13.439 8.065 ( -21.423 -22.780 -2.497) 31.370 9.166 ( 24.746 -29.866 -1.977) 38.836 9.354 ( -23.967 12.334 0.823) 26.967 9.687 ( -1.031 -29.578 3.614) 29.816 11.095 ( 8.412 19.124 -38.363) 43.683 11.554 ( -18.500 -2.568 -0.275) 18.679 12.480 ( 2.238 14.484 -1.160) 14.702 12.767 ( 15.447 15.847 -12.565) 25.448 15.722 ( 0.947 -5.388 0.767) 5.524 15.850 ( 2.104 3.213 0.792) 3.922 20.261 ( -3.939 -18.244 15.511) 24.268 21.078 ( -9.391 -25.595 21.821) 34.920 ======================= Grid point 761 (256/344) ======================= q-point: ( 0.47 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 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.465 ( 6.047 13.276 12.040) 18.915 2.750 ( 6.598 21.294 9.866) 24.378 3.777 ( 18.276 18.393 -6.495) 26.730 4.884 ( 1.619 12.121 -3.504) 12.721 5.669 ( 13.342 15.531 6.256) 21.409 6.818 ( -12.154 -3.467 -4.488) 13.412 7.595 ( -10.928 -16.150 5.724) 20.323 8.960 ( -25.375 3.083 1.372) 25.599 9.208 ( -4.642 -20.986 8.542) 23.129 9.445 ( 15.751 -26.585 -11.850) 33.095 11.188 ( -16.075 -1.918 -2.325) 16.355 11.252 ( 4.415 9.047 -28.131) 29.878 12.634 ( 1.293 10.976 -1.549) 11.160 13.130 ( 14.541 14.183 -12.975) 24.102 15.679 ( 0.380 -6.332 -0.338) 6.352 15.917 ( 1.928 2.195 0.533) 2.970 20.079 ( -4.911 -15.796 19.700) 25.724 20.719 ( -13.005 -19.012 11.523) 25.756 ======================= Grid point 762 (257/344) ======================= q-point: ( 0.53 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 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.780 ( 9.948 13.952 6.646) 18.379 3.105 ( 5.865 21.167 6.204) 22.824 4.221 ( 18.843 11.556 -10.460) 24.454 5.032 ( 0.677 14.508 -0.704) 14.541 6.046 ( 12.333 9.026 5.289) 16.172 6.642 ( -5.013 0.790 3.033) 5.912 7.365 ( -4.861 -10.113 9.506) 14.705 8.520 ( -25.950 -1.382 -3.069) 26.168 8.810 ( -19.071 -13.542 3.041) 23.587 9.505 ( 19.849 -23.739 -4.871) 31.325 10.880 ( -7.864 -12.555 -1.881) 14.934 11.315 ( 1.204 10.518 -21.386) 23.862 12.738 ( 0.707 7.668 -0.432) 7.712 13.463 ( 12.159 15.215 -11.306) 22.520 15.597 ( -2.771 -5.036 -2.440) 6.245 15.962 ( 1.768 0.509 -0.174) 1.848 19.906 ( -7.212 -16.194 23.696) 29.593 20.363 ( -11.314 -11.737 -0.056) 16.302 ======================= Grid point 763 (258/344) ======================= q-point: ( 0.60 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 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.116 ( 9.495 14.636 2.383) 17.608 3.413 ( 3.944 19.254 3.387) 19.943 4.576 ( 16.855 5.744 -11.359) 21.122 5.181 ( -1.604 15.919 1.539) 16.074 6.293 ( 8.061 2.170 3.771) 9.160 6.683 ( 2.980 3.940 8.525) 9.853 7.270 ( -1.226 -6.479 10.381) 12.298 7.998 ( -24.662 -11.862 -6.083) 28.034 8.356 ( -24.311 0.370 -4.549) 24.735 9.602 ( 15.656 -18.079 4.709) 24.375 10.661 ( 3.201 -20.410 -4.936) 21.241 11.361 ( 0.575 9.053 -11.505) 14.651 12.824 ( 1.421 5.871 2.258) 6.449 13.768 ( 8.815 17.059 -9.533) 21.438 15.468 ( -5.500 -2.293 -6.063) 8.501 15.990 ( 2.135 -1.422 -0.410) 2.598 19.641 ( -13.345 -17.795 20.499) 30.248 20.139 ( -3.979 -4.785 -3.827) 7.306 ======================= Grid point 764 (259/344) ======================= q-point: ( 0.67 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 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.390 ( 2.962 16.059 0.074) 16.330 3.645 ( 2.871 13.467 0.330) 13.774 4.836 ( 13.205 2.449 -10.782) 17.223 5.300 ( -3.974 15.590 3.382) 16.440 6.436 ( 5.755 0.384 5.123) 7.714 6.815 ( 4.310 0.782 8.123) 9.229 7.254 ( -0.612 -5.672 9.963) 11.480 7.407 ( -22.038 -13.162 -9.966) 27.536 7.959 ( -22.901 7.970 -9.544) 26.059 9.715 ( 9.788 -10.714 11.635) 18.600 10.550 ( 14.856 -27.915 -6.953) 32.377 11.443 ( 2.167 7.889 -1.940) 8.408 12.929 ( 3.019 4.779 4.680) 7.339 14.030 ( 3.544 19.600 -7.390) 21.245 15.335 ( -4.328 0.262 -11.129) 11.943 16.005 ( 2.222 -3.025 -0.069) 3.754 19.279 ( -15.439 -15.493 12.925) 25.406 20.067 ( 0.098 -2.630 -1.293) 2.933 ======================= Grid point 765 (260/344) ======================= q-point: ( 0.73 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 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.520 ( -7.425 17.108 -0.231) 18.651 3.780 ( 2.080 5.395 -2.718) 6.389 4.999 ( 8.354 0.598 -11.069) 13.881 5.385 ( -5.373 14.256 5.887) 16.333 6.531 ( 1.545 -1.480 8.064) 8.343 6.794 ( -16.268 -11.947 -7.718) 21.608 6.920 ( 0.851 -5.460 10.126) 11.535 7.337 ( 4.434 1.874 -0.241) 4.820 7.663 ( -17.265 12.172 -12.093) 24.340 9.787 ( 2.876 -7.022 12.449) 14.580 10.572 ( 24.353 -30.724 -6.640) 39.764 11.581 ( 4.499 6.292 5.800) 9.668 13.056 ( 4.587 3.070 5.177) 7.567 14.217 ( -4.181 22.828 -4.346) 23.611 15.260 ( 1.404 1.651 -17.792) 17.924 16.007 ( 1.933 -4.039 0.852) 4.558 18.918 ( -14.527 -12.341 10.143) 21.592 20.061 ( 1.908 -1.741 -0.307) 2.601 ======================= Grid point 766 (261/344) ======================= q-point: (-0.20 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 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.477 ( -14.898 13.475 0.302) 20.090 3.797 ( -2.925 1.663 -3.904) 5.154 5.042 ( 1.705 -1.217 -12.063) 12.244 5.445 ( -5.940 11.937 7.717) 15.406 6.374 ( -10.359 -8.036 1.442) 13.190 6.546 ( -3.103 -6.324 4.045) 8.123 6.962 ( 4.126 -6.993 9.615) 12.585 7.400 ( -1.184 1.810 -7.096) 7.418 7.625 ( 1.275 23.847 -9.089) 25.552 9.767 ( 0.082 -9.825 9.548) 13.700 10.706 ( 26.088 -26.955 -5.979) 37.986 11.757 ( 6.242 3.612 9.531) 11.951 13.172 ( 4.693 -0.076 2.905) 5.519 14.313 ( -10.773 25.483 -1.765) 27.723 15.278 ( 7.230 2.069 -25.218) 26.315 16.001 ( 1.538 -3.945 2.322) 4.829 18.624 ( -11.564 -8.989 13.149) 19.683 20.091 ( 3.244 -1.079 -0.215) 3.426 ======================= Grid point 775 (262/344) ======================= q-point: ( 0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.422 ( 0.000 14.056 9.848) 17.162 2.558 ( 0.000 14.854 15.727) 21.633 3.443 ( -0.000 27.763 -1.922) 27.830 4.828 ( -0.000 9.514 -6.869) 11.734 5.422 ( 0.000 22.441 6.653) 23.407 7.095 ( -0.000 -3.806 -7.560) 8.464 8.092 ( -0.000 -24.786 -4.990) 25.283 8.525 ( 0.000 -28.565 -0.970) 28.582 9.351 ( 0.000 -34.303 4.843) 34.643 9.776 ( 0.000 10.712 10.304) 14.863 11.046 ( -0.000 19.844 -41.546) 46.042 11.696 ( -0.000 -5.328 -6.001) 8.025 12.573 ( -0.000 13.355 -4.003) 13.942 12.763 ( -0.000 16.807 -5.380) 17.647 15.639 ( 0.000 -9.887 2.263) 10.142 15.872 ( 0.000 4.122 0.722) 4.185 20.171 ( 0.000 -17.410 16.411) 23.926 20.973 ( 0.000 -24.913 16.671) 29.976 ======================= Grid point 776 (263/344) ======================= q-point: ( 0.47 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.583 ( 0.808 12.936 8.928) 15.739 2.838 ( 8.211 15.315 8.735) 19.449 3.759 ( 6.243 24.459 -5.073) 25.748 4.932 ( 3.444 10.515 -5.889) 12.535 5.717 ( 5.024 20.293 7.375) 22.168 6.962 ( -8.922 -1.133 -7.334) 11.605 7.645 ( -12.821 -18.902 2.938) 23.028 8.549 ( 24.521 -30.044 0.731) 38.787 9.008 ( -1.019 -33.246 1.191) 33.283 9.702 ( -22.867 12.460 6.901) 26.940 11.152 ( 5.792 14.015 -33.521) 36.791 11.443 ( -16.290 -4.697 -6.234) 18.064 12.722 ( 1.970 11.404 -3.570) 12.111 12.998 ( 10.756 14.560 -6.438) 19.213 15.558 ( 2.592 -11.867 2.224) 12.349 15.925 ( 0.876 3.521 0.747) 3.704 20.051 ( -2.134 -15.498 18.050) 23.886 20.728 ( -6.690 -21.228 9.291) 24.119 ======================= Grid point 777 (264/344) ======================= q-point: ( 0.53 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.807 ( 6.173 14.032 5.941) 16.441 3.187 ( 10.174 16.379 4.934) 19.903 4.080 ( 8.866 17.313 -7.099) 20.706 5.110 ( 5.511 12.303 -3.357) 13.893 6.020 ( 5.994 14.300 5.612) 16.490 6.772 ( -8.274 0.516 -0.210) 8.293 7.378 ( -4.818 -10.392 6.699) 13.270 8.528 ( -1.241 -32.331 10.413) 33.989 8.796 ( 21.337 -28.425 -10.718) 37.123 9.376 ( -30.512 14.872 2.411) 34.029 10.974 ( -16.347 -11.495 -5.914) 20.840 11.323 ( 1.929 13.624 -22.974) 26.779 12.820 ( -0.590 8.601 -1.555) 8.760 13.342 ( 14.061 14.874 -7.983) 21.970 15.507 ( 3.592 -11.036 1.740) 11.735 15.964 ( -0.152 2.217 -0.003) 2.222 19.920 ( -3.871 -15.678 20.011) 25.715 20.415 ( -9.456 -15.072 0.495) 17.800 ======================= Grid point 778 (265/344) ======================= q-point: ( 0.60 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.109 ( 9.283 15.258 2.612) 18.050 3.536 ( 7.814 17.471 3.721) 19.497 4.356 ( 10.788 9.451 -7.989) 16.418 5.326 ( 4.236 14.349 -0.629) 14.975 6.230 ( 4.458 6.422 3.351) 8.506 6.730 ( -0.794 3.707 5.692) 6.839 7.269 ( -2.011 -6.286 8.013) 10.381 8.109 ( -12.528 -26.814 0.807) 29.608 8.817 ( -5.451 -10.310 -2.914) 12.021 9.099 ( 0.358 -1.430 -0.537) 1.569 10.554 ( -12.657 -16.314 -3.791) 20.993 11.405 ( 1.129 11.623 -15.235) 19.196 12.880 ( -0.350 5.969 0.945) 6.054 13.706 ( 13.073 16.401 -8.141) 22.499 15.464 ( 1.251 -7.380 0.600) 7.510 15.963 ( -0.897 0.040 -0.942) 1.301 19.720 ( -8.596 -18.812 18.541) 27.777 20.154 ( -5.906 -6.495 -4.599) 9.911 ======================= Grid point 779 (266/344) ======================= q-point: ( 0.67 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.429 ( 8.729 15.122 0.281) 17.463 3.809 ( 1.199 17.616 2.815) 17.879 4.588 ( 12.426 2.900 -8.201) 15.168 5.521 ( 0.096 15.899 1.753) 15.996 6.360 ( 4.969 2.034 3.562) 6.443 6.801 ( 1.657 2.027 5.048) 5.687 7.233 ( 0.233 -4.682 8.796) 9.967 7.590 ( -18.542 -19.772 -5.268) 27.614 8.459 ( -26.262 7.678 -4.440) 27.719 9.281 ( 23.975 -15.662 3.123) 28.807 10.196 ( -5.351 -21.075 -3.017) 21.952 11.490 ( 1.336 9.651 -6.236) 11.568 12.944 ( 1.375 3.744 2.811) 4.880 14.056 ( 10.771 17.991 -7.526) 22.278 15.399 ( -3.404 -1.312 -2.261) 4.292 15.936 ( 0.455 -3.496 -0.732) 3.600 19.400 ( -12.367 -17.686 10.861) 24.160 20.041 ( -1.252 -2.749 -2.012) 3.629 ======================= Grid point 780 (267/344) ======================= q-point: ( 0.73 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.694 ( 5.262 12.798 -1.009) 13.874 3.933 ( -7.345 15.809 1.621) 17.508 4.780 ( 11.926 -0.736 -8.665) 14.759 5.655 ( -4.341 16.087 4.158) 17.173 6.474 ( 5.190 -1.066 4.385) 6.877 6.836 ( 0.163 -2.682 3.081) 4.088 7.026 ( -18.845 -15.513 1.090) 24.433 7.288 ( 2.242 0.772 -0.461) 2.415 8.101 ( -22.626 12.002 -6.961) 26.542 9.576 ( 21.966 -11.267 6.251) 25.466 9.928 ( 4.407 -27.077 -3.836) 27.700 11.601 ( 2.773 7.144 1.685) 7.846 13.022 ( 3.150 1.540 2.991) 4.609 14.379 ( 7.474 19.609 -6.067) 21.844 15.304 ( -6.962 4.148 -7.577) 11.094 15.912 ( 2.754 -6.684 1.111) 7.314 19.053 ( -12.421 -14.139 6.883) 20.039 20.015 ( 0.969 -1.814 -0.531) 2.124 ======================= Grid point 781 (268/344) ======================= q-point: (-0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.838 ( -0.085 3.915 -2.036) 4.414 3.896 ( -14.293 17.461 1.576) 22.620 4.908 ( 7.686 -1.328 -9.863) 12.574 5.724 ( -7.317 13.861 5.899) 16.747 6.509 ( -1.573 -8.089 -0.996) 8.300 6.557 ( -14.295 -5.636 5.907) 16.462 6.857 ( 2.310 -7.578 6.736) 10.399 7.365 ( 3.523 2.468 -3.177) 5.348 7.927 ( -10.979 21.336 -7.346) 25.094 9.654 ( 0.012 -17.522 5.342) 18.318 9.958 ( 28.647 -20.505 -4.641) 35.534 11.734 ( 4.110 3.590 6.498) 8.485 13.097 ( 3.834 -0.863 1.135) 4.090 14.653 ( 1.401 21.932 -2.795) 22.154 15.191 ( -5.359 4.483 -15.911) 17.377 15.912 ( 4.118 -6.713 3.538) 8.634 18.757 ( -10.218 -10.359 8.141) 16.673 20.027 ( 2.386 -1.291 -0.378) 2.739 ======================= Grid point 791 (269/344) ======================= q-point: ( 0.47 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.729 ( 0.000 10.904 5.367) 12.153 2.918 ( 0.000 13.362 6.307) 14.776 3.952 ( -0.000 24.687 -3.532) 24.938 4.968 ( -0.000 9.491 -7.413) 12.043 5.918 ( 0.000 20.578 7.507) 21.904 7.023 ( -0.000 2.383 -8.949) 9.261 7.603 ( 0.000 -22.069 1.066) 22.094 7.997 ( 0.000 -24.644 4.196) 24.998 8.684 ( 0.000 -35.414 4.874) 35.748 10.054 ( 0.000 8.593 9.945) 13.144 11.126 ( -0.000 17.790 -35.108) 39.358 11.519 ( -0.000 -5.688 -9.058) 10.695 12.775 ( -0.000 10.592 -5.993) 12.170 13.043 ( -0.000 13.543 -0.315) 13.547 15.403 ( 0.000 -15.098 3.448) 15.486 15.958 ( 0.000 3.624 0.856) 3.723 19.986 ( 0.000 -14.804 18.080) 23.368 20.603 ( 0.000 -19.730 4.300) 20.193 ======================= Grid point 792 (270/344) ======================= q-point: ( 0.53 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.876 ( 3.358 11.310 4.231) 12.533 3.154 ( 9.168 12.566 2.455) 15.747 4.182 ( 1.132 20.378 -2.505) 20.562 5.087 ( 6.001 9.375 -6.730) 13.007 6.147 ( 0.977 16.685 5.523) 17.602 6.925 ( -8.781 1.205 -3.853) 9.664 7.363 ( -2.986 -12.101 4.957) 13.413 8.003 ( 20.548 -25.753 4.583) 33.263 8.342 ( -0.634 -33.635 1.682) 33.683 9.983 ( -19.689 10.054 5.325) 22.740 11.116 ( -10.753 1.318 -18.130) 21.120 11.364 ( -2.808 7.335 -16.434) 18.214 12.886 ( 2.102 8.692 -5.746) 10.630 13.254 ( 9.227 13.382 -0.294) 16.257 15.304 ( 4.516 -15.105 4.126) 16.297 15.995 ( -0.113 2.845 0.462) 2.884 19.887 ( -2.086 -15.859 18.231) 24.253 20.386 ( -4.802 -14.661 -1.751) 15.527 ======================= Grid point 793 (271/344) ======================= q-point: ( 0.60 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.116 ( 8.144 13.497 2.488) 15.959 3.482 ( 13.712 10.924 1.077) 17.565 4.370 ( 0.967 14.907 -1.716) 15.037 5.304 ( 9.926 9.704 -4.545) 14.607 6.301 ( -0.709 10.333 2.893) 10.754 6.822 ( -3.920 2.534 3.623) 5.909 7.271 ( -1.521 -5.156 5.330) 7.570 7.958 ( -3.183 -30.821 5.726) 31.509 8.191 ( 24.787 -25.310 -3.221) 35.572 9.683 ( -28.772 13.633 1.377) 31.868 10.693 ( -20.812 -11.022 -6.436) 24.414 11.435 ( 2.213 12.693 -17.224) 21.510 12.953 ( -0.766 6.319 -2.660) 6.899 13.605 ( 14.070 15.186 -2.396) 20.840 15.284 ( 7.207 -12.847 4.616) 15.436 16.002 ( -1.954 1.758 -0.609) 2.698 19.714 ( -5.432 -19.088 15.196) 24.995 20.169 ( -5.315 -6.788 -4.683) 9.811 ======================= Grid point 794 (272/344) ======================= q-point: ( 0.67 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.422 ( 9.401 14.370 0.875) 17.194 3.836 ( 13.916 10.092 1.047) 17.222 4.501 ( 0.958 9.006 -1.389) 9.163 5.569 ( 9.733 10.507 -2.185) 14.488 6.374 ( -0.748 6.056 2.364) 6.544 6.834 ( -0.789 2.575 2.885) 3.947 7.227 ( -1.017 -4.178 7.457) 8.608 7.580 ( -8.075 -24.513 -2.764) 25.957 8.389 ( 24.021 -22.403 0.831) 32.857 9.315 ( -28.180 14.329 0.316) 31.615 10.209 ( -16.690 -14.667 -3.879) 22.555 11.533 ( 1.759 10.364 -10.128) 14.597 12.983 ( -0.752 4.012 -0.027) 4.081 13.997 ( 13.322 16.925 -3.060) 21.755 15.321 ( 7.052 -8.373 4.294) 11.759 15.952 ( -4.302 -0.082 -1.739) 4.641 19.436 ( -8.905 -18.901 7.732) 22.278 20.043 ( -2.764 -2.283 -2.222) 4.218 ======================= Grid point 795 (273/344) ======================= q-point: ( 0.73 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.701 ( 6.795 11.209 -0.026) 13.108 4.152 ( 6.873 14.232 1.536) 15.879 4.578 ( 3.594 0.906 -2.643) 4.552 5.814 ( 5.380 11.979 0.062) 13.132 6.421 ( 0.562 1.280 1.987) 2.430 6.833 ( -1.243 -1.014 1.049) 1.916 7.124 ( -9.495 -17.880 4.310) 20.698 7.275 ( -1.191 -1.030 -3.154) 3.525 8.472 ( -1.418 -6.076 -0.486) 6.258 9.124 ( 1.088 1.315 0.577) 1.802 9.810 ( -10.391 -15.727 -1.218) 18.889 11.631 ( 2.157 7.484 -2.956) 8.330 13.013 ( 0.570 1.846 1.016) 2.183 14.371 ( 11.069 17.229 -2.809) 20.670 15.383 ( 3.248 -0.217 1.691) 3.668 15.845 ( -4.146 -4.531 -1.356) 6.289 19.115 ( -9.743 -15.589 2.979) 18.623 19.994 ( -0.668 -1.091 -0.489) 1.370 ======================= Grid point 796 (274/344) ======================= q-point: (-0.20 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.861 ( 2.134 5.176 -0.579) 5.628 4.307 ( -10.359 17.985 3.531) 21.053 4.673 ( 12.410 -3.960 -6.523) 14.568 5.974 ( -2.334 12.499 2.383) 12.936 6.412 ( 1.128 -7.684 0.432) 7.778 6.760 ( -11.371 -7.289 1.626) 13.604 6.796 ( -2.214 -7.513 2.753) 8.302 7.327 ( 3.075 3.556 -1.364) 4.895 8.316 ( -13.345 11.634 -2.155) 17.835 9.293 ( 18.094 -13.438 -4.269) 22.939 9.548 ( -0.759 -12.234 3.534) 12.757 11.730 ( 2.644 3.758 2.300) 5.138 13.045 ( 1.636 -0.164 0.255) 1.664 14.703 ( 9.283 15.848 -2.533) 18.541 15.394 ( -8.893 9.758 -6.264) 14.613 15.755 ( 4.267 -10.603 3.678) 12.007 18.829 ( -8.265 -11.728 2.775) 14.613 19.987 ( 0.844 -0.643 -0.193) 1.078 ======================= Grid point 807 (275/344) ======================= q-point: ( 0.53 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.945 ( 0.000 7.636 2.947) 8.185 3.209 ( 0.000 13.268 0.967) 13.303 4.371 ( -0.000 18.190 0.740) 18.205 5.085 ( -0.000 7.974 -8.610) 11.736 6.321 ( 0.000 14.653 3.747) 15.125 7.034 ( -0.000 4.243 -7.270) 8.418 7.238 ( 0.000 -17.275 7.475) 18.823 7.621 ( 0.000 -17.100 7.581) 18.705 8.023 ( 0.000 -33.176 3.209) 33.331 10.232 ( 0.000 2.976 3.913) 4.917 11.241 ( -0.000 17.091 -26.656) 31.664 11.378 ( -0.000 -1.482 -6.051) 6.230 12.910 ( -0.000 8.215 -7.775) 11.311 13.305 ( 0.000 11.084 4.119) 11.824 15.125 ( 0.000 -15.091 6.104) 16.279 16.025 ( 0.000 2.460 0.572) 2.526 19.803 ( 0.000 -17.833 15.794) 23.822 20.286 ( -0.000 -10.529 -4.202) 11.337 ======================= Grid point 808 (276/344) ======================= q-point: ( 0.60 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.094 ( 7.583 7.848 2.239) 11.141 3.400 ( 6.787 11.297 0.214) 13.181 4.534 ( -1.126 14.537 2.964) 14.878 5.197 ( 7.848 7.139 -8.105) 13.351 6.442 ( -1.777 10.169 1.335) 10.409 6.933 ( -6.100 -0.710 3.390) 7.015 7.226 ( 4.426 -5.011 2.272) 7.062 7.605 ( 12.907 -19.530 9.482) 25.257 7.709 ( -0.271 -28.422 -1.314) 28.454 10.144 ( -12.404 3.499 -1.200) 12.943 11.018 ( -24.686 0.870 -7.246) 25.743 11.452 ( 3.486 12.299 -15.961) 20.449 12.992 ( 2.168 6.976 -7.132) 10.209 13.521 ( 10.532 11.397 4.021) 16.031 15.058 ( 5.140 -12.811 8.130) 16.020 16.043 ( -0.746 1.737 -0.009) 1.890 19.639 ( -2.817 -20.042 10.274) 22.697 20.164 ( -2.796 -4.922 -3.906) 6.878 ======================= Grid point 809 (277/344) ======================= q-point: ( 0.67 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.373 ( 12.409 10.207 1.390) 16.127 3.654 ( 11.945 6.182 0.142) 13.450 4.645 ( -2.621 11.252 4.523) 12.407 5.424 ( 12.998 6.293 -6.256) 15.738 6.489 ( -2.803 7.405 0.866) 7.965 6.885 ( -1.776 -0.531 3.733) 4.168 7.224 ( -0.720 -5.099 2.897) 5.908 7.409 ( -2.174 -21.628 -1.743) 21.806 7.762 ( 21.974 -18.547 5.908) 29.356 9.910 ( -19.702 8.495 -3.612) 21.757 10.479 ( -30.370 -5.588 -1.629) 30.923 11.562 ( 2.065 11.039 -12.762) 16.999 13.040 ( -0.924 5.078 -3.783) 6.399 13.904 ( 15.959 14.218 2.228) 21.490 15.096 ( 8.409 -10.291 9.369) 16.260 16.023 ( -3.159 0.967 -1.186) 3.510 19.390 ( -5.584 -19.417 3.310) 20.474 20.070 ( -3.102 -1.481 -1.680) 3.826 ======================= Grid point 810 (278/344) ======================= q-point: ( 0.73 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.683 ( 8.673 10.550 0.931) 13.689 3.948 ( 18.630 1.307 -0.884) 18.696 4.697 ( -5.293 8.604 5.631) 11.566 5.705 ( 14.296 5.440 -4.341) 15.900 6.498 ( -3.976 4.461 0.239) 5.980 6.848 ( -1.225 -4.040 0.588) 4.262 7.047 ( -4.474 -18.434 -2.448) 19.126 7.281 ( -0.797 0.518 0.911) 1.316 8.029 ( 24.639 -14.818 5.453) 29.264 9.614 ( -27.406 15.205 -0.395) 31.344 9.917 ( -20.994 -12.012 -1.947) 24.265 11.653 ( 1.896 7.938 -7.299) 10.949 13.047 ( -1.562 3.082 -1.211) 3.662 14.331 ( 13.745 16.447 1.951) 21.523 15.209 ( 10.834 -7.311 8.805) 15.760 15.934 ( -7.001 -0.072 -2.530) 7.444 19.101 ( -6.833 -16.555 -1.482) 17.971 20.013 ( -2.196 -0.133 -0.216) 2.210 ======================= Grid point 823 (279/344) ======================= q-point: ( 0.60 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.081 ( 0.000 4.053 1.895) 4.474 3.467 ( 0.000 11.508 0.978) 11.550 4.696 ( 0.000 11.645 6.227) 13.206 5.154 ( -0.000 6.004 -9.897) 11.576 6.552 ( -0.000 7.832 -1.118) 7.912 7.029 ( 0.000 -11.247 12.894) 17.110 7.053 ( -0.000 -0.473 -1.300) 1.383 7.377 ( 0.000 -20.325 5.441) 21.040 7.475 ( 0.000 -13.458 -0.558) 13.470 10.221 ( -0.000 -2.657 -6.124) 6.675 11.387 ( 0.000 3.472 1.673) 3.854 11.400 ( -0.000 15.898 -19.456) 25.126 12.994 ( -0.000 6.842 -9.000) 11.305 13.532 ( 0.000 7.007 6.090) 9.284 14.945 ( 0.000 -8.471 12.288) 14.925 16.064 ( 0.000 1.182 0.115) 1.188 19.487 ( 0.000 -20.414 4.125) 20.827 20.139 ( -0.000 -2.431 -2.353) 3.383 ======================= Grid point 824 (280/344) ======================= q-point: ( 0.67 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.218 ( 10.976 3.002 1.389) 11.464 3.609 ( 3.541 8.395 1.999) 9.328 4.810 ( -1.653 8.801 8.146) 12.106 5.251 ( 8.740 4.930 -9.225) 13.630 6.598 ( -1.590 6.208 -2.119) 6.750 6.887 ( -3.295 -12.072 8.574) 15.169 7.163 ( 2.054 -2.123 -4.308) 5.224 7.203 ( 7.877 -16.282 6.534) 19.231 7.416 ( 2.803 -7.245 3.905) 8.694 10.105 ( -5.974 -2.309 -9.538) 11.489 11.069 ( -31.225 5.591 1.504) 31.758 11.584 ( 3.100 11.364 -12.792) 17.389 13.068 ( 2.379 6.454 -7.512) 10.186 13.743 ( 14.627 6.579 4.994) 16.798 14.965 ( 2.929 -4.405 15.820) 16.681 16.064 ( -1.143 0.594 -0.486) 1.377 19.269 ( -2.531 -19.264 -1.782) 19.511 20.101 ( -1.939 -0.495 -0.901) 2.195 ======================= Grid point 825 (281/344) ======================= q-point: (-0.27 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.516 ( 18.911 2.583 0.409) 19.091 3.751 ( 4.826 3.015 2.315) 6.143 4.880 ( -3.068 6.713 9.330) 11.897 5.465 ( 14.151 3.233 -7.633) 16.401 6.602 ( -3.164 3.288 -2.545) 5.224 6.721 ( 0.267 -19.517 3.261) 19.789 7.025 ( -6.111 -1.684 -8.256) 10.409 7.315 ( 0.631 2.950 3.636) 4.724 7.535 ( 20.380 -9.870 10.186) 24.830 9.918 ( -8.817 -1.530 -10.325) 13.663 10.501 ( -39.602 5.436 5.749) 40.385 11.674 ( 1.300 8.814 -10.541) 13.801 13.108 ( -1.540 4.709 -3.773) 6.227 14.173 ( 21.807 9.496 3.078) 23.983 15.059 ( 4.218 -2.331 17.246) 17.906 16.022 ( -3.863 0.092 -1.726) 4.232 19.012 ( -4.032 -16.913 -6.189) 18.456 20.059 ( -2.625 0.724 0.001) 2.723 ======================= Grid point 839 (282/344) ======================= 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 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.134 ( 0.000 -0.130 1.363) 1.369 3.670 ( 0.000 6.272 3.944) 7.408 4.934 ( 0.000 5.632 10.886) 12.257 5.181 ( -0.000 4.540 -10.433) 11.378 6.645 ( -0.000 4.080 -6.019) 7.271 6.819 ( 0.000 -21.777 6.222) 22.648 6.981 ( 0.000 -4.687 16.374) 17.032 7.144 ( -0.000 1.221 -8.025) 8.117 7.379 ( 0.000 -2.353 3.076) 3.873 10.075 ( -0.000 -4.154 -12.071) 12.766 11.504 ( 0.000 4.458 5.961) 7.443 11.572 ( -0.000 13.973 -14.788) 20.345 13.062 ( -0.000 7.237 -9.375) 11.843 13.654 ( 0.000 0.824 5.243) 5.308 15.008 ( 0.000 2.054 21.615) 21.712 16.075 ( -0.000 0.063 -0.263) 0.271 19.084 ( -0.000 -18.278 -6.732) 19.478 20.116 ( -0.000 0.545 -0.321) 0.633 ======================= Grid point 840 (283/344) ======================= q-point: (-0.27 -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 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.233 ( 12.024 -2.302 0.791) 12.268 3.744 ( 1.629 1.837 4.789) 5.381 5.006 ( -1.362 3.047 11.746) 12.211 5.262 ( 8.491 3.253 -9.219) 12.949 6.569 ( -3.433 -14.503 -1.839) 15.017 6.649 ( -1.972 -2.860 -1.143) 3.657 7.093 ( -3.760 2.429 -8.380) 9.500 7.177 ( 15.505 -1.368 14.071) 20.983 7.379 ( -0.650 1.487 4.821) 5.087 9.953 ( -3.762 -3.816 -12.561) 13.656 11.224 ( -31.565 6.623 5.255) 32.678 11.703 ( 1.413 9.676 -11.512) 15.104 13.145 ( 2.033 6.776 -6.880) 9.868 13.847 ( 19.531 1.018 3.760) 19.916 15.137 ( -0.420 5.526 24.851) 25.462 16.060 ( -1.481 -0.426 -0.822) 1.746 18.860 ( -1.658 -16.577 -10.818) 19.863 20.110 ( -1.705 1.511 0.023) 2.279 ======================= Grid point 855 (284/344) ======================= q-point: (-0.27 -0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.093 ( 0.000 -4.850 0.789) 4.914 3.747 ( 0.000 -3.146 6.001) 6.776 5.078 ( 0.000 -0.937 13.549) 13.581 5.183 ( -0.000 3.344 -9.859) 10.410 6.486 ( -0.000 -9.482 -2.919) 9.921 6.614 ( -0.000 -5.349 -4.619) 7.067 7.089 ( 0.000 2.540 17.889) 18.068 7.121 ( -0.000 1.596 -10.706) 10.825 7.451 ( 0.000 7.665 7.405) 10.658 9.892 ( -0.000 -4.180 -13.631) 14.258 11.633 ( 0.000 3.480 6.178) 7.090 11.730 ( -0.000 11.848 -12.148) 16.969 13.155 ( -0.000 8.877 -8.748) 12.463 13.668 ( 0.000 -2.209 4.529) 5.040 15.324 ( 0.000 8.962 29.571) 30.899 16.064 ( -0.000 -0.882 -0.401) 0.969 18.662 ( -0.000 -15.643 -14.939) 21.631 20.144 ( -0.000 2.306 -0.061) 2.306 ======================= Grid point 968 (285/344) ======================= q-point: ( 0.27 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( 0.000 -0.000 26.954) 26.954 1.452 ( 0.000 -0.000 26.954) 26.954 2.303 ( 0.000 -0.000 42.529) 42.529 4.549 ( -0.000 0.000 -7.133) 7.133 4.549 ( -0.000 0.000 -7.133) 7.133 8.601 ( -0.000 0.000 -18.073) 18.073 9.017 ( 0.000 0.000 2.313) 2.313 9.017 ( 0.000 -0.000 2.313) 2.313 9.637 ( -0.000 0.000 -12.606) 12.606 9.637 ( -0.000 0.000 -12.606) 12.606 11.313 ( -0.000 0.000 -2.881) 2.881 11.647 ( 0.000 -0.000 8.041) 8.041 11.647 ( 0.000 -0.000 8.041) 8.041 11.838 ( 0.000 -0.000 3.862) 3.862 15.731 ( -0.000 0.000 -0.578) 0.578 15.731 ( -0.000 -0.000 -0.578) 0.578 20.827 ( 0.000 -0.000 2.124) 2.124 22.584 ( 0.000 -0.000 0.537) 0.537 ======================= Grid point 969 (286/344) ======================= q-point: ( 0.33 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( 7.626 4.403 23.834) 25.408 1.728 ( 9.577 5.529 26.980) 29.159 2.599 ( 13.578 7.839 28.212) 32.276 4.534 ( 1.898 1.096 -6.810) 7.154 4.688 ( 12.886 7.440 -4.355) 15.504 7.821 ( -32.598 -18.820 1.706) 37.679 8.812 ( -9.762 -5.636 -1.338) 11.351 9.058 ( -28.140 -16.247 -8.961) 33.706 9.916 ( 11.960 6.905 -9.909) 16.997 9.961 ( 39.210 22.638 -25.462) 51.944 10.951 ( -18.774 -10.839 -1.148) 21.708 11.499 ( -8.377 -4.836 8.834) 13.100 11.969 ( 8.891 5.133 2.746) 10.627 12.177 ( 25.448 14.692 -3.787) 29.628 15.740 ( 1.410 0.814 -0.237) 1.645 15.766 ( 2.429 1.402 -0.527) 2.854 20.742 ( -7.799 -4.503 2.660) 9.390 22.144 ( -32.109 -18.538 17.717) 41.091 ======================= Grid point 970 (287/344) ======================= q-point: ( 0.40 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( 13.184 7.612 17.991) 23.567 2.045 ( 9.202 5.313 26.185) 28.259 3.110 ( 23.813 13.749 6.135) 28.173 4.579 ( 3.837 2.215 -5.608) 7.147 5.078 ( 20.104 11.607 2.022) 23.302 7.193 ( -22.426 -12.947 -1.454) 25.936 8.383 ( -26.861 -15.508 0.902) 31.029 8.558 ( -11.058 -6.384 -5.005) 13.714 10.104 ( 6.406 3.699 -4.538) 8.678 10.249 ( -13.672 -7.893 -6.005) 16.890 10.724 ( 10.012 5.780 -28.386) 30.650 11.349 ( -6.539 -3.775 6.672) 10.076 12.218 ( 11.101 6.409 1.008) 12.858 12.671 ( 19.603 11.318 -11.899) 25.573 15.769 ( 0.466 0.269 -0.471) 0.715 15.833 ( 3.350 1.934 -0.339) 3.883 20.521 ( -11.616 -6.706 6.380) 14.853 21.489 ( -30.277 -17.480 26.407) 43.813 ======================= Grid point 971 (288/344) ======================= q-point: ( 0.47 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.323 ( 14.176 8.184 12.381) 20.524 2.371 ( 11.967 6.909 18.296) 22.928 3.698 ( 26.144 15.095 -6.252) 30.830 4.661 ( 4.541 2.622 -3.516) 6.313 5.581 ( 20.890 12.061 6.303) 24.931 6.769 ( -13.058 -7.539 -3.189) 15.411 7.873 ( -19.035 -10.990 11.377) 24.750 8.265 ( -11.952 -6.900 -8.412) 16.162 9.720 ( -26.392 -15.238 -2.701) 30.595 10.170 ( -0.472 -0.273 3.650) 3.691 10.854 ( 8.510 4.913 -31.067) 32.584 11.272 ( -1.104 -0.637 1.137) 1.708 12.453 ( 8.698 5.022 -1.187) 10.113 13.018 ( 14.972 8.644 -12.089) 21.095 15.733 ( -3.280 -1.894 -2.481) 4.528 15.911 ( 3.316 1.915 -0.107) 3.831 20.294 ( -10.645 -6.146 11.894) 17.104 20.936 ( -25.406 -14.668 19.072) 34.991 ======================= Grid point 972 (289/344) ======================= q-point: ( 0.53 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.672 ( 12.337 7.123 7.529) 16.112 2.740 ( 15.187 8.768 9.733) 20.057 4.242 ( 23.347 13.479 -11.686) 29.383 4.756 ( 4.255 2.456 -0.534) 4.942 6.050 ( 16.700 9.642 6.258) 20.273 6.583 ( -2.853 -1.647 2.770) 4.304 7.576 ( -11.658 -6.731 16.446) 21.253 7.949 ( -11.912 -6.878 -11.349) 17.833 9.053 ( -29.533 -17.051 -6.232) 34.666 10.126 ( -5.065 -2.924 10.635) 12.137 10.905 ( 5.806 3.352 -23.131) 24.084 11.302 ( 3.744 2.162 -4.012) 5.898 12.607 ( 5.214 3.011 -1.067) 6.115 13.293 ( 12.369 7.141 -9.081) 16.925 15.603 ( -6.077 -3.509 -6.535) 9.589 15.980 ( 2.638 1.523 0.096) 3.047 20.108 ( -11.678 -6.742 19.739) 23.905 20.459 ( -18.831 -10.872 4.523) 22.210 ======================= Grid point 973 (290/344) ======================= q-point: ( 0.60 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.940 ( 8.832 5.099 3.405) 10.752 3.132 ( 16.165 9.333 3.329) 18.961 4.671 ( 17.739 10.241 -14.212) 24.930 4.852 ( 3.666 2.117 3.152) 5.278 6.357 ( 7.969 4.601 2.727) 9.597 6.654 ( 6.022 3.477 11.501) 13.440 7.435 ( -6.326 -3.652 15.595) 17.221 7.639 ( -10.497 -6.060 -13.809) 18.373 8.320 ( -30.678 -17.712 -9.910) 36.785 10.041 ( -5.884 -3.397 13.813) 15.394 10.983 ( 7.161 4.134 -11.524) 14.184 11.394 ( 5.462 3.154 -6.229) 8.865 12.705 ( 3.488 2.014 2.345) 4.661 13.517 ( 9.319 5.380 -6.498) 12.570 15.429 ( -5.209 -3.007 -12.163) 13.569 16.031 ( 1.711 0.988 0.238) 1.990 19.811 ( -20.833 -12.028 21.272) 32.112 20.185 ( -4.964 -2.866 -3.797) 6.875 ======================= Grid point 974 (291/344) ======================= q-point: ( 0.67 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.101 ( 4.435 2.560 0.320) 5.131 3.487 ( 13.545 7.820 -1.305) 15.695 4.951 ( 11.235 6.487 -15.190) 19.976 4.953 ( 3.473 2.005 6.858) 7.944 6.487 ( 3.285 1.897 4.444) 5.843 6.863 ( 6.517 3.762 12.321) 14.437 7.358 ( -7.498 -4.329 9.875) 13.133 7.370 ( -7.657 -4.421 -15.871) 18.168 7.606 ( -24.144 -13.940 -11.401) 30.120 9.969 ( -4.906 -2.832 14.510) 15.576 11.161 ( 9.881 5.705 0.752) 11.434 11.494 ( 5.134 2.964 -6.646) 8.906 12.805 ( 4.022 2.322 6.787) 8.224 13.664 ( 5.033 2.906 -4.802) 7.539 15.299 ( -0.620 -0.358 -18.335) 18.349 16.061 ( 0.802 0.463 0.322) 0.980 19.385 ( -20.594 -11.890 13.331) 27.262 20.118 ( -1.021 -0.590 -0.738) 1.391 ======================= Grid point 975 (292/344) ======================= q-point: ( 0.73 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.148 ( -0.119 -0.069 -1.144) 1.152 3.719 ( 6.775 3.912 -4.602) 9.076 5.066 ( 3.632 2.097 9.438) 10.328 5.082 ( 5.140 2.967 -14.883) 16.023 6.563 ( 0.976 0.563 7.910) 7.989 6.901 ( -20.291 -11.715 -7.436) 24.582 7.027 ( 2.540 1.466 12.090) 12.441 7.175 ( -3.517 -2.031 -17.403) 17.871 7.409 ( -0.338 -0.195 -1.641) 1.687 9.923 ( -3.864 -2.231 14.203) 14.888 11.432 ( 11.332 6.542 9.513) 16.177 11.576 ( 4.042 2.334 -6.467) 7.975 12.953 ( 6.158 3.555 9.577) 11.928 13.709 ( 0.453 0.261 -4.259) 4.291 15.270 ( 4.952 2.859 -24.038) 24.708 16.072 ( -0.008 -0.005 0.370) 0.370 18.982 ( -17.880 -10.323 11.131) 23.455 20.114 ( 0.618 0.357 0.028) 0.714 ======================= Grid point 984 (293/344) ======================= q-point: ( 0.33 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( 0.000 15.589 24.908) 29.384 1.798 ( 0.000 11.699 20.373) 23.493 2.664 ( 0.000 6.551 27.558) 28.326 4.551 ( -0.000 4.727 -7.409) 8.789 4.626 ( -0.000 13.157 -3.450) 13.602 7.785 ( 0.000 -34.772 -0.413) 34.774 9.063 ( -0.000 -17.446 -6.512) 18.622 9.327 ( 0.000 6.216 1.410) 6.373 9.375 ( -0.000 2.138 -18.928) 19.048 9.878 ( -0.000 23.096 -16.621) 28.455 10.884 ( 0.000 -24.958 -0.307) 24.960 11.793 ( 0.000 2.059 3.173) 3.783 11.983 ( -0.000 20.433 0.737) 20.446 12.001 ( 0.000 13.158 1.998) 13.308 15.737 ( -0.000 1.744 -0.204) 1.756 15.758 ( -0.000 1.704 -0.217) 1.718 20.747 ( 0.000 -9.362 2.524) 9.696 22.197 ( 0.000 -33.904 14.631) 36.927 ======================= Grid point 985 (294/344) ======================= q-point: ( 0.40 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( 2.720 15.215 16.828) 22.849 2.112 ( 4.861 12.974 25.473) 28.997 2.940 ( 13.322 11.985 8.846) 19.985 4.574 ( 0.254 7.093 -6.103) 9.360 4.915 ( 13.847 16.345 1.328) 21.463 7.358 ( -13.984 -20.725 -2.026) 25.084 8.498 ( -21.763 -21.408 -4.850) 30.911 9.074 ( -28.799 13.972 -0.371) 32.012 9.632 ( 26.704 -17.991 -11.116) 34.064 10.164 ( 7.062 -4.533 -7.806) 11.461 10.666 ( 1.564 0.064 -16.489) 16.563 11.577 ( -16.877 1.118 4.831) 17.591 12.188 ( 4.666 13.604 0.910) 14.410 12.426 ( 18.789 14.422 -6.366) 24.526 15.760 ( 0.502 0.740 -0.177) 0.911 15.801 ( 2.649 2.119 0.303) 3.406 20.596 ( -5.624 -11.723 4.221) 13.671 21.759 ( -16.810 -30.558 21.395) 40.917 ======================= Grid point 986 (295/344) ======================= q-point: ( 0.47 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.287 ( 7.057 11.356 14.389) 19.642 2.414 ( 5.211 14.572 19.315) 24.750 3.405 ( 21.822 15.865 -5.725) 27.580 4.655 ( 1.839 8.753 -3.883) 9.750 5.383 ( 18.820 15.233 5.350) 24.797 6.926 ( -15.165 -9.930 -3.935) 18.549 7.977 ( -13.344 -20.166 3.907) 24.495 8.699 ( -29.707 13.789 -0.872) 32.762 9.809 ( 12.645 -25.231 0.226) 28.223 9.875 ( -4.350 -21.278 -8.208) 23.217 10.800 ( 4.377 17.460 -26.389) 31.943 11.335 ( -10.067 -4.547 4.347) 11.870 12.407 ( 5.327 10.907 0.060) 12.138 12.821 ( 15.308 12.254 -9.736) 21.892 15.751 ( -1.254 -1.797 -0.741) 2.313 15.876 ( 2.909 2.305 0.285) 3.722 20.391 ( -6.667 -10.576 7.042) 14.349 21.231 ( -20.874 -24.131 19.431) 37.358 ======================= Grid point 987 (296/344) ======================= q-point: ( 0.53 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.581 ( 9.899 9.207 10.016) 16.825 2.738 ( 6.815 17.060 10.888) 21.355 3.923 ( 23.214 13.939 -10.798) 29.152 4.774 ( 1.686 10.268 -0.915) 10.445 5.865 ( 17.991 11.147 5.470) 21.860 6.657 ( -7.039 -2.327 0.714) 7.448 7.651 ( -7.263 -15.192 9.089) 19.135 8.318 ( -27.715 11.180 -2.615) 30.000 9.281 ( -21.922 -24.170 -2.603) 32.734 9.934 ( 15.867 -19.735 -3.157) 25.519 10.881 ( -2.449 12.296 -16.928) 21.065 11.205 ( 1.713 -6.616 -2.358) 7.230 12.579 ( 3.823 7.733 0.202) 8.629 13.146 ( 12.516 12.204 -9.244) 19.775 15.661 ( -5.593 -3.034 -2.862) 6.977 15.945 ( 2.821 1.400 0.070) 3.150 20.222 ( -5.438 -8.736 10.046) 14.381 20.705 ( -21.185 -19.276 11.339) 30.805 ======================= Grid point 988 (297/344) ======================= q-point: ( 0.60 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.880 ( 9.552 9.897 4.296) 14.410 3.064 ( 7.882 16.266 5.838) 18.995 4.380 ( 20.319 9.529 -12.164) 25.527 4.906 ( 0.514 11.432 2.246) 11.662 6.233 ( 12.363 5.323 2.354) 13.665 6.646 ( 2.792 2.723 8.754) 9.583 7.467 ( -3.532 -10.386 7.851) 13.490 7.945 ( -24.628 7.676 -3.829) 26.079 8.607 ( -27.238 -20.258 -7.667) 34.801 9.974 ( 9.184 -16.146 5.908) 19.492 10.883 ( 2.152 1.137 -7.808) 8.179 11.227 ( 7.225 -2.911 -6.745) 10.304 12.708 ( 2.692 6.302 2.572) 7.320 13.430 ( 9.377 12.829 -8.091) 17.832 15.487 ( -8.419 -2.617 -6.898) 11.194 16.001 ( 2.516 0.339 0.075) 2.540 20.058 ( -11.963 -13.713 19.375) 26.581 20.245 ( -11.864 -9.036 -4.212) 15.497 ======================= Grid point 989 (298/344) ======================= q-point: ( 0.67 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.114 ( 3.727 10.979 0.714) 11.616 3.379 ( 9.528 12.795 1.440) 16.018 4.716 ( 15.108 5.296 -11.792) 19.883 5.035 ( -0.608 11.692 4.828) 12.664 6.432 ( 6.739 1.719 2.464) 7.378 6.815 ( 7.055 2.574 10.629) 13.014 7.360 ( -2.296 -5.124 -0.146) 5.617 7.585 ( -20.119 -1.388 -1.500) 20.222 7.912 ( -28.110 -11.190 -11.361) 32.318 9.982 ( 3.459 -10.633 11.862) 16.301 10.951 ( 12.915 -9.630 -3.219) 16.429 11.325 ( 7.543 0.518 -3.059) 8.156 12.832 ( 2.648 6.507 5.835) 9.133 13.659 ( 4.600 13.771 -6.846) 16.052 15.293 ( -6.780 -1.027 -12.368) 14.142 16.039 ( 1.885 -0.503 0.225) 1.964 19.645 ( -19.558 -15.898 11.392) 27.659 20.115 ( -0.910 -2.546 -1.067) 2.907 ======================= Grid point 990 (299/344) ======================= q-point: ( 0.73 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.231 ( -2.744 10.808 -0.842) 11.183 3.634 ( 7.296 7.742 -2.396) 10.905 4.924 ( 9.363 2.593 -11.211) 14.835 5.154 ( -1.207 10.692 7.138) 12.912 6.553 ( 4.208 1.267 5.255) 6.850 6.950 ( 1.158 -4.213 1.171) 4.523 7.113 ( -16.023 -11.457 -0.567) 19.706 7.288 ( -7.148 1.718 -5.294) 9.059 7.473 ( -12.445 2.347 -7.212) 14.574 9.974 ( 0.009 -6.459 13.194) 14.690 11.092 ( 20.599 -19.828 -2.515) 28.702 11.482 ( 7.054 5.112 5.077) 10.083 12.979 ( 3.584 6.891 7.880) 11.065 13.803 ( -2.257 15.081 -5.273) 16.135 15.162 ( -0.935 0.915 -18.661) 18.707 16.058 ( 1.131 -1.122 0.475) 1.663 19.211 ( -17.441 -12.996 8.285) 23.275 20.095 ( 0.843 -1.548 0.073) 1.764 ======================= Grid point 1000 (300/344) ======================= q-point: ( 0.40 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.183 ( 0.000 13.547 12.403) 18.367 2.334 ( 0.000 17.187 23.955) 29.483 2.976 ( 0.000 15.121 2.993) 15.415 4.624 ( -0.000 7.897 -7.103) 10.621 4.997 ( 0.000 21.914 4.644) 22.400 7.264 ( -0.000 -16.969 -4.542) 17.566 8.558 ( -0.000 -23.652 -6.627) 24.563 9.007 ( -0.000 -20.688 -12.143) 23.989 9.586 ( 0.000 11.770 8.808) 14.701 9.950 ( -0.000 -15.317 -2.413) 15.506 10.560 ( -0.000 6.279 -23.004) 23.845 11.773 ( -0.000 -3.811 -3.115) 4.922 12.283 ( -0.000 14.382 -1.379) 14.448 12.391 ( -0.000 19.005 -0.445) 19.011 15.764 ( 0.000 -2.137 0.730) 2.258 15.795 ( 0.000 3.673 0.474) 3.703 20.527 ( 0.000 -14.103 5.151) 15.015 21.647 ( 0.000 -33.204 19.518) 38.515 ======================= Grid point 1001 (301/344) ======================= q-point: ( 0.47 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.377 ( 2.325 11.991 10.904) 16.374 2.585 ( 2.121 14.427 18.356) 23.443 3.264 ( 11.444 20.931 -5.767) 24.542 4.704 ( 2.089 9.804 -5.599) 11.482 5.331 ( 9.452 20.850 6.847) 23.894 7.023 ( -9.009 -9.397 -6.895) 14.731 8.051 ( -17.456 -20.567 -0.100) 26.976 9.080 ( 26.211 -22.780 -11.891) 36.707 9.393 ( -26.824 8.258 5.579) 28.616 9.746 ( -4.687 -26.886 6.030) 27.950 10.716 ( 11.403 15.857 -26.841) 33.195 11.542 ( -15.410 -5.426 -2.008) 16.461 12.465 ( 3.270 13.169 -1.425) 13.644 12.679 ( 11.683 15.091 -4.037) 19.507 15.730 ( 0.082 -4.498 0.626) 4.542 15.859 ( 2.213 3.185 0.878) 3.976 20.381 ( -3.101 -12.992 6.898) 15.033 21.301 ( -10.365 -29.484 16.353) 35.272 ======================= Grid point 1002 (302/344) ======================= q-point: ( 0.53 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.588 ( 5.218 10.460 9.088) 14.806 2.864 ( 5.346 17.567 9.623) 20.731 3.687 ( 16.377 18.400 -8.638) 26.104 4.848 ( 3.374 12.207 -2.640) 12.937 5.742 ( 12.711 15.649 6.067) 21.054 6.770 ( -8.873 -2.546 -3.757) 9.967 7.661 ( -8.585 -15.126 5.611) 18.275 8.976 ( -30.293 8.411 1.381) 31.469 9.268 ( 21.550 -26.314 -1.719) 34.056 9.338 ( -9.333 -23.304 -2.930) 25.274 10.943 ( 6.790 14.736 -21.202) 26.698 11.195 ( -13.605 -10.443 -0.265) 17.153 12.626 ( 1.984 10.390 -0.148) 10.578 13.023 ( 13.015 14.077 -6.503) 20.244 15.677 ( -0.976 -5.536 -0.031) 5.622 15.923 ( 1.612 2.014 0.481) 2.624 20.232 ( -3.413 -10.594 8.329) 13.901 20.848 ( -15.589 -24.862 10.147) 31.050 ======================= Grid point 1003 (303/344) ======================= q-point: ( 0.60 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.846 ( 8.443 11.852 4.575) 15.254 3.174 ( 5.120 19.343 5.657) 20.793 4.105 ( 17.507 12.247 -9.212) 23.267 5.031 ( 2.295 14.462 0.525) 14.652 6.095 ( 11.257 8.512 2.880) 14.404 6.681 ( -1.136 2.381 3.676) 4.524 7.455 ( -4.042 -9.927 5.785) 12.180 8.507 ( -28.952 -0.440 1.165) 28.979 8.812 ( -23.026 -13.039 -2.568) 26.586 9.458 ( 25.033 -23.480 -3.390) 34.488 10.866 ( -8.671 -12.995 -0.567) 15.633 11.116 ( 5.503 9.864 -12.555) 16.888 12.749 ( 1.733 7.647 2.057) 8.106 13.358 ( 11.714 15.079 -7.194) 20.404 15.572 ( -5.311 -4.029 -1.975) 6.953 15.962 ( 1.706 0.160 0.062) 1.715 20.111 ( -3.592 -10.771 11.925) 16.466 20.364 ( -16.210 -18.244 0.587) 24.412 ======================= Grid point 1004 (304/344) ======================= q-point: ( 0.67 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.136 ( 8.324 13.596 0.951) 15.971 3.452 ( 2.692 18.478 3.174) 18.941 4.458 ( 16.034 6.639 -8.932) 19.518 5.209 ( -0.304 15.627 3.240) 15.962 6.323 ( 8.300 2.885 1.409) 8.899 6.771 ( 4.491 2.852 6.715) 8.567 7.347 ( -1.806 -5.312 2.528) 6.154 7.958 ( -26.454 -13.374 -0.548) 29.648 8.288 ( -27.841 2.064 -7.128) 28.813 9.653 ( 21.448 -18.642 3.821) 28.673 10.625 ( 1.081 -20.774 -1.183) 20.835 11.271 ( 4.918 9.657 -3.591) 11.417 12.864 ( 2.648 5.635 4.328) 7.583 13.673 ( 9.028 16.970 -7.095) 20.490 15.403 ( -9.242 -0.971 -5.591) 10.845 15.990 ( 2.330 -1.686 0.280) 2.889 19.820 ( -16.310 -19.807 9.961) 27.524 20.098 ( -1.816 -3.685 -2.383) 4.749 ======================= Grid point 1005 (305/344) ======================= q-point: ( 0.73 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.386 ( 2.728 15.711 -0.802) 15.967 3.651 ( 0.761 13.478 0.536) 13.511 4.722 ( 12.492 3.007 -8.777) 15.561 5.354 ( -2.769 15.346 5.729) 16.613 6.480 ( 7.013 1.240 2.422) 7.523 6.885 ( 3.755 -1.001 3.655) 5.335 7.281 ( -6.456 -2.841 -6.223) 9.406 7.369 ( -17.887 -14.852 4.601) 23.700 7.850 ( -25.185 8.920 -9.085) 28.220 9.836 ( 13.399 -11.709 9.061) 19.969 10.490 ( 13.258 -28.475 -3.407) 31.594 11.459 ( 6.028 8.176 5.156) 11.391 12.988 ( 4.001 3.690 5.234) 7.551 13.952 ( 4.576 19.783 -5.918) 21.150 15.210 ( -9.161 1.705 -10.616) 14.125 16.010 ( 2.406 -2.891 0.916) 3.871 19.381 ( -15.776 -15.911 4.941) 22.945 20.059 ( 0.651 -2.683 0.115) 2.763 ======================= Grid point 1016 (306/344) ======================= q-point: ( 0.47 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.514 ( 0.000 12.442 6.035) 13.828 2.732 ( 0.000 8.615 13.629) 16.123 3.402 ( -0.000 27.535 -4.369) 27.879 4.749 ( -0.000 9.430 -6.819) 11.637 5.511 ( 0.000 23.030 8.481) 24.542 6.997 ( -0.000 -4.936 -9.475) 10.683 8.057 ( -0.000 -22.910 -1.161) 22.939 8.478 ( -0.000 -23.310 -7.243) 24.409 9.420 ( 0.000 -34.207 6.995) 34.915 9.895 ( 0.000 11.089 10.420) 15.216 10.638 ( -0.000 17.470 -28.758) 33.648 11.615 ( -0.000 -6.931 -8.183) 10.724 12.530 ( -0.000 11.996 -3.481) 12.491 12.745 ( 0.000 16.279 1.057) 16.313 15.663 ( 0.000 -9.073 1.901) 9.270 15.881 ( 0.000 4.216 0.874) 4.306 20.304 ( 0.000 -12.595 7.984) 14.912 21.142 ( 0.000 -29.691 12.125) 32.071 ======================= Grid point 1017 (307/344) ======================= q-point: ( 0.53 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.666 ( 1.817 11.054 5.361) 12.419 2.923 ( 7.081 11.331 5.211) 14.341 3.708 ( 4.683 25.403 -3.030) 26.008 4.865 ( 4.972 10.167 -5.637) 12.644 5.804 ( 4.261 19.855 7.500) 21.648 6.869 ( -6.501 -0.346 -8.765) 10.919 7.686 ( -10.288 -17.149 4.055) 20.406 8.512 ( 25.159 -25.021 -6.727) 36.115 9.055 ( -4.899 -34.210 6.562) 35.176 9.773 ( -25.769 12.152 5.602) 29.036 10.836 ( 10.461 13.950 -20.729) 27.088 11.367 ( -14.530 -7.163 -7.074) 17.677 12.678 ( 3.755 10.179 -4.089) 11.595 12.969 ( 7.329 15.004 0.525) 16.707 15.584 ( 1.938 -10.892 2.214) 11.282 15.934 ( 0.679 3.395 0.703) 3.533 20.201 ( -1.761 -10.892 9.028) 14.256 20.821 ( -7.725 -26.895 6.327) 28.689 ======================= Grid point 1018 (308/344) ======================= q-point: ( 0.60 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.861 ( 5.654 12.347 3.347) 13.986 3.229 ( 10.864 14.409 1.915) 18.147 4.020 ( 6.609 18.904 -2.840) 20.227 5.073 ( 7.692 11.681 -2.986) 14.301 6.077 ( 4.644 13.357 4.091) 14.721 6.757 ( -4.119 3.034 -2.292) 5.606 7.449 ( -4.319 -10.242 5.377) 12.348 8.616 ( -8.786 -31.140 0.808) 32.366 8.699 ( 26.529 -26.693 -1.814) 37.678 9.402 ( -32.137 14.193 2.163) 35.198 10.909 ( -10.374 -11.711 -5.099) 16.455 11.118 ( 1.063 12.172 -12.390) 17.401 12.803 ( 1.703 7.801 -1.808) 8.187 13.288 ( 11.374 15.512 -1.693) 19.309 15.528 ( 2.334 -9.719 1.945) 10.183 15.964 ( -0.553 1.869 -0.039) 1.950 20.096 ( -2.487 -10.941 11.067) 15.760 20.410 ( -11.809 -21.120 -1.387) 24.237 ======================= Grid point 1019 (309/344) ======================= q-point: ( 0.67 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.131 ( 8.502 14.415 1.042) 16.768 3.568 ( 8.554 16.468 1.594) 18.626 4.290 ( 8.462 11.197 -3.174) 14.390 5.321 ( 6.348 13.490 -0.250) 14.911 6.257 ( 4.067 6.478 1.279) 7.755 6.773 ( 1.006 3.862 1.945) 4.440 7.338 ( -2.030 -5.437 3.426) 6.740 8.110 ( -15.379 -27.138 -0.201) 31.194 8.792 ( -4.860 -10.391 -1.199) 11.534 9.098 ( -0.205 -0.092 0.110) 0.251 10.524 ( -11.346 -17.638 -1.379) 21.018 11.280 ( 4.764 11.591 -5.916) 13.858 12.892 ( 1.572 5.245 0.720) 5.523 13.643 ( 11.338 17.143 -2.784) 20.741 15.469 ( -1.270 -5.487 0.291) 5.640 15.955 ( -0.724 -0.589 -0.337) 0.992 19.884 ( -11.030 -21.993 9.287) 26.299 20.096 ( -4.159 -4.416 -4.592) 7.608 ======================= Grid point 1020 (310/344) ======================= q-point: ( 0.73 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.429 ( 8.056 14.942 -0.319) 16.979 3.834 ( 1.030 17.512 1.355) 17.595 4.516 ( 10.379 4.130 -4.050) 11.882 5.544 ( 2.129 14.947 2.205) 15.259 6.384 ( 5.486 2.486 0.617) 6.055 6.840 ( 2.246 0.788 1.617) 2.878 7.282 ( -0.910 -2.143 -0.883) 2.490 7.556 ( -19.269 -21.502 0.104) 28.873 8.414 ( -28.975 8.904 -3.332) 30.495 9.308 ( 26.185 -16.645 1.514) 31.064 10.183 ( -5.267 -21.225 0.664) 21.879 11.462 ( 5.305 8.959 1.853) 10.575 12.973 ( 2.593 2.729 1.908) 4.220 13.997 ( 9.678 18.800 -2.780) 21.326 15.366 ( -7.319 0.861 -3.533) 8.173 15.937 ( 1.380 -3.994 0.808) 4.302 19.472 ( -13.055 -18.604 1.610) 22.784 20.029 ( -0.441 -2.557 0.068) 2.596 ======================= Grid point 1032 (311/344) ======================= q-point: ( 0.53 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.774 ( 0.000 10.388 2.349) 10.650 2.966 ( 0.000 10.601 1.417) 10.695 3.936 ( 0.000 25.426 1.257) 25.457 4.883 ( -0.000 8.935 -7.201) 11.476 6.002 ( 0.000 19.177 7.005) 20.416 6.905 ( -0.000 3.257 -11.471) 11.924 7.639 ( 0.000 -19.969 5.209) 20.637 8.002 ( -0.000 -19.541 -3.529) 19.857 8.760 ( 0.000 -36.737 8.199) 37.641 10.155 ( 0.000 6.995 7.501) 10.256 10.795 ( -0.000 17.409 -21.838) 27.928 11.415 ( -0.000 -5.147 -8.812) 10.205 12.709 ( -0.000 9.288 -5.481) 10.785 13.067 ( 0.000 14.101 3.962) 14.647 15.445 ( 0.000 -14.009 3.791) 14.513 15.967 ( 0.000 3.534 0.771) 3.618 20.145 ( 0.000 -10.677 10.245) 14.797 20.636 ( 0.000 -25.407 0.973) 25.426 ======================= Grid point 1033 (312/344) ======================= q-point: ( 0.60 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.911 ( 3.549 10.736 1.780) 11.447 3.162 ( 9.036 11.792 -1.233) 14.907 4.185 ( 0.102 21.382 3.231) 21.625 5.011 ( 7.512 8.612 -6.436) 13.116 6.203 ( 0.230 14.782 4.194) 15.367 6.857 ( -4.628 4.830 -7.837) 10.304 7.431 ( -3.337 -12.233 6.588) 14.290 8.008 ( 19.582 -20.974 -3.400) 28.895 8.401 ( -2.579 -35.769 8.129) 36.772 10.023 ( -21.484 8.601 1.582) 23.196 10.926 ( -0.124 6.435 -12.921) 14.435 11.235 ( -8.950 2.156 -7.264) 11.726 12.818 ( 3.642 7.825 -6.100) 10.569 13.281 ( 6.902 13.993 4.468) 16.230 15.355 ( 3.959 -13.592 4.942) 14.994 15.999 ( -0.485 2.655 0.284) 2.714 20.057 ( -1.705 -13.515 12.068) 18.199 20.345 ( -5.651 -18.646 -5.801) 20.329 ======================= Grid point 1034 (313/344) ======================= q-point: ( 0.67 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.136 ( 7.716 13.241 0.945) 15.354 3.480 ( 14.281 10.767 -1.434) 17.943 4.383 ( -0.729 16.384 4.044) 16.892 5.253 ( 11.997 8.733 -4.360) 15.466 6.325 ( -1.067 9.427 1.065) 9.546 6.827 ( -2.071 4.889 -2.581) 5.903 7.331 ( -1.478 -5.413 4.443) 7.157 7.975 ( -3.197 -31.266 -1.962) 31.490 8.208 ( 22.146 -23.645 5.742) 32.901 9.683 ( -28.680 12.446 -1.359) 31.294 10.636 ( -19.117 -10.685 -3.175) 22.129 11.292 ( 4.180 11.782 -7.396) 14.525 12.914 ( 1.767 5.861 -4.134) 7.386 13.612 ( 11.532 15.829 3.351) 19.869 15.341 ( 5.869 -10.874 5.240) 13.422 15.995 ( -2.467 1.437 -0.592) 2.916 19.841 ( -6.901 -23.183 6.082) 24.941 20.111 ( -4.297 -4.114 -4.498) 7.458 ======================= Grid point 1048 (314/344) ======================= q-point: ( 0.60 0.60 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.968 ( 0.000 7.759 0.995) 7.823 3.206 ( -0.000 13.587 -1.700) 13.693 4.413 ( 0.000 19.023 6.721) 20.175 4.987 ( -0.000 7.111 -8.164) 10.827 6.356 ( 0.000 12.195 2.286) 12.408 6.929 ( -0.000 6.877 -10.842) 12.839 7.345 ( 0.000 -15.402 11.088) 18.978 7.658 ( -0.000 -12.639 -1.611) 12.742 8.088 ( 0.000 -36.174 8.335) 37.122 10.242 ( -0.000 -0.745 -2.501) 2.609 11.001 ( -0.000 16.675 -14.771) 22.277 11.332 ( -0.000 1.556 -1.798) 2.378 12.824 ( -0.000 7.107 -7.184) 10.106 13.366 ( 0.000 11.587 6.248) 13.164 15.205 ( 0.000 -12.942 7.936) 15.182 16.030 ( 0.000 2.286 0.342) 2.311 19.948 ( 0.000 -20.920 9.389) 22.930 20.220 ( -0.000 -9.228 -7.179) 11.692 ======================= Grid point 1049 (315/344) ======================= q-point: (-0.33 -0.40 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.113 ( 7.539 7.942 0.911) 10.988 3.395 ( 6.570 12.470 -1.097) 14.137 4.599 ( -1.900 15.420 8.342) 17.634 5.107 ( 9.244 6.248 -7.462) 13.423 6.448 ( -1.677 8.464 -0.415) 8.638 6.915 ( -3.663 5.476 -6.166) 9.024 7.291 ( 2.342 -7.887 8.259) 11.657 7.622 ( 7.529 -16.018 -4.441) 18.248 7.779 ( 3.625 -31.447 11.431) 33.656 10.094 ( -11.947 0.474 -7.464) 14.095 10.954 ( -19.641 5.205 -3.506) 20.619 11.332 ( 0.227 9.552 -5.042) 10.803 12.908 ( 3.638 6.538 -7.324) 10.470 13.583 ( 9.343 11.378 6.431) 16.066 15.164 ( 4.149 -9.975 10.354) 14.963 16.042 ( -1.156 1.534 -0.183) 1.929 19.706 ( -3.404 -24.125 0.731) 24.375 20.124 ( -2.360 -2.544 -2.605) 4.339 ======================= Grid point 1064 (316/344) ======================= q-point: (-0.33 -0.33 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.097 ( 0.000 4.288 0.908) 4.383 3.476 ( 0.000 13.275 0.789) 13.298 4.797 ( 0.000 12.381 11.469) 16.877 5.044 ( -0.000 5.221 -9.090) 10.483 6.529 ( -0.000 5.865 -2.875) 6.531 6.988 ( -0.000 5.905 -9.155) 10.895 7.191 ( 0.000 -9.968 15.302) 18.262 7.436 ( -0.000 -21.961 -2.535) 22.106 7.484 ( 0.000 -16.254 8.379) 18.286 10.119 ( -0.000 -4.750 -11.433) 12.381 11.225 ( -0.000 15.042 -10.730) 18.477 11.426 ( 0.000 5.273 5.012) 7.275 12.893 ( -0.000 6.080 -8.547) 10.489 13.602 ( 0.000 6.605 5.943) 8.885 15.105 ( 0.000 -4.750 15.694) 16.397 16.064 ( -0.000 1.028 -0.113) 1.034 19.487 ( -0.000 -23.567 -4.426) 23.979 20.119 ( -0.000 -1.138 -0.982) 1.503 ======================= Grid point 1209 (317/344) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( 0.000 -0.000 21.808) 21.808 1.731 ( 0.000 -0.000 21.808) 21.808 2.742 ( 0.000 -0.000 34.203) 34.203 4.466 ( -0.000 0.000 -7.187) 7.187 4.466 ( -0.000 0.000 -7.187) 7.187 8.398 ( -0.000 0.000 -17.086) 17.086 9.049 ( 0.000 0.000 3.354) 3.354 9.049 ( 0.000 -0.000 3.354) 3.354 9.498 ( -0.000 0.000 -11.637) 11.637 9.498 ( -0.000 0.000 -11.637) 11.637 11.287 ( -0.000 0.000 -1.745) 1.745 11.729 ( 0.000 -0.000 6.338) 6.338 11.729 ( 0.000 -0.000 6.338) 6.338 11.875 ( 0.000 -0.000 2.611) 2.611 15.725 ( -0.000 0.000 -0.508) 0.508 15.725 ( -0.000 0.000 -0.508) 0.508 20.849 ( 0.000 -0.000 1.821) 1.821 22.590 ( 0.000 -0.000 0.480) 0.480 ======================= Grid point 1210 (318/344) ======================= q-point: ( 0.40 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( 6.109 3.527 19.331) 20.578 2.005 ( 12.057 6.961 21.308) 25.453 2.873 ( 3.264 1.884 19.578) 19.937 4.460 ( 2.357 1.361 -6.045) 6.629 4.646 ( 15.834 9.142 -2.956) 18.520 7.812 ( -29.747 -17.175 -2.769) 34.461 8.804 ( -11.767 -6.794 0.016) 13.588 8.976 ( -24.482 -14.134 -5.464) 28.792 9.729 ( 31.139 17.978 -15.385) 39.109 9.796 ( 13.393 7.732 -10.856) 18.895 10.945 ( -20.375 -11.763 -0.196) 23.527 11.600 ( -8.024 -4.632 8.609) 12.647 11.995 ( 8.535 4.928 1.885) 10.034 12.145 ( 20.617 11.903 -2.298) 23.918 15.739 ( 1.592 0.919 0.057) 1.839 15.759 ( 2.471 1.427 -0.647) 2.926 20.768 ( -7.162 -4.135 1.917) 8.489 22.293 ( -23.175 -13.380 9.305) 28.332 ======================= Grid point 1211 (319/344) ======================= q-point: ( 0.47 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( 11.011 6.357 14.576) 19.342 2.338 ( 7.804 4.506 24.922) 26.501 3.124 ( 16.997 9.813 -3.625) 19.958 4.523 ( 4.599 2.656 -3.980) 6.637 5.108 ( 22.461 12.968 2.754) 26.081 7.174 ( -23.582 -13.615 -1.719) 27.284 8.424 ( -22.024 -12.715 6.297) 26.199 8.509 ( -13.066 -7.543 -3.571) 15.504 10.028 ( 9.656 5.575 -8.311) 13.907 10.121 ( 1.751 1.011 -15.278) 15.411 10.508 ( -8.772 -5.064 -10.494) 14.585 11.441 ( -8.133 -4.695 9.026) 13.025 12.230 ( 10.330 5.964 1.128) 11.981 12.566 ( 17.311 9.995 -7.342) 21.295 15.767 ( -0.014 -0.008 0.090) 0.091 15.827 ( 3.478 2.008 -0.606) 4.062 20.571 ( -9.684 -5.591 2.830) 11.534 21.728 ( -28.346 -16.366 15.840) 36.363 ======================= Grid point 1212 (320/344) ======================= q-point: ( 0.53 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.450 ( 12.129 7.003 9.493) 16.920 2.581 ( 7.480 4.318 18.056) 20.015 3.595 ( 24.375 14.073 -11.173) 30.283 4.634 ( 5.588 3.226 -1.082) 6.543 5.642 ( 21.551 12.443 3.727) 25.163 6.756 ( -11.712 -6.762 1.162) 13.574 8.022 ( -16.322 -9.424 14.692) 23.897 8.176 ( -13.806 -7.971 -7.117) 17.459 9.672 ( -27.037 -15.610 -5.748) 31.744 10.172 ( 4.461 2.576 -3.066) 5.994 10.552 ( 9.229 5.328 -21.074) 23.615 11.316 ( -4.667 -2.695 6.332) 8.315 12.450 ( 8.121 4.689 0.671) 9.401 12.906 ( 14.926 8.617 -7.996) 18.999 15.712 ( -4.791 -2.766 -1.467) 5.723 15.907 ( 3.476 2.007 -0.449) 4.038 20.374 ( -7.970 -4.601 3.551) 9.864 21.128 ( -28.124 -16.237 13.582) 35.200 ======================= Grid point 1213 (321/344) ======================= q-point: ( 0.60 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.744 ( 10.595 6.117 4.914) 13.184 2.853 ( 11.547 6.667 9.575) 16.415 4.104 ( 22.512 12.997 -11.867) 28.575 4.766 ( 5.542 3.199 2.434) 6.846 6.092 ( 15.841 9.146 0.748) 18.306 6.649 ( 0.463 0.267 8.730) 8.746 7.761 ( -11.638 -6.719 15.668) 20.642 7.825 ( -13.496 -7.792 -10.383) 18.725 8.967 ( -30.866 -17.821 -8.633) 36.672 10.211 ( -1.010 -0.583 3.977) 4.144 10.698 ( 9.411 5.433 -12.294) 16.408 11.284 ( 0.641 0.370 1.162) 1.378 12.614 ( 5.841 3.372 2.216) 7.099 13.200 ( 12.907 7.452 -7.334) 16.610 15.540 ( -8.617 -4.975 -4.857) 11.072 15.979 ( 2.788 1.610 -0.249) 3.229 20.235 ( -5.245 -3.028 3.675) 7.084 20.538 ( -26.299 -15.184 8.422) 31.514 ======================= Grid point 1214 (322/344) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.967 ( 7.504 4.333 1.285) 8.760 3.174 ( 13.512 7.801 3.589) 16.010 4.521 ( 17.017 9.825 -11.814) 22.927 4.905 ( 5.020 2.898 6.094) 8.410 6.371 ( 8.740 5.046 -0.166) 10.094 6.794 ( 6.867 3.965 12.555) 14.849 7.484 ( -11.783 -6.803 -13.175) 18.939 7.586 ( -8.039 -4.641 10.455) 13.981 8.201 ( -31.635 -18.264 -10.754) 38.079 10.175 ( -3.841 -2.217 9.156) 10.174 10.915 ( 11.520 6.651 0.316) 13.306 11.339 ( 3.949 2.280 -2.982) 5.448 12.751 ( 4.927 2.845 5.477) 7.897 13.441 ( 10.020 5.785 -6.711) 13.375 15.305 ( -8.495 -4.905 -9.785) 13.855 16.032 ( 1.832 1.058 -0.056) 2.116 19.982 ( -23.892 -13.794 6.530) 28.350 20.156 ( -2.648 -1.529 1.032) 3.227 ======================= Grid point 1225 (323/344) ======================= q-point: ( 0.40 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.998 ( 0.000 9.310 14.358) 17.112 2.042 ( 0.000 16.782 19.766) 25.929 2.923 ( 0.000 -3.025 17.575) 17.833 4.469 ( -0.000 4.718 -6.692) 8.188 4.600 ( -0.000 17.169 -1.055) 17.202 7.766 ( -0.000 -32.740 -2.448) 32.831 8.978 ( -0.000 -20.430 -7.605) 21.799 9.173 ( -0.000 1.233 -15.790) 15.838 9.374 ( 0.000 11.908 6.077) 13.369 9.722 ( -0.000 17.139 -11.052) 20.394 10.895 ( 0.000 -27.149 1.741) 27.205 11.814 ( 0.000 -0.475 0.405) 0.624 12.003 ( 0.000 15.472 2.121) 15.617 12.022 ( 0.000 14.424 1.925) 14.552 15.737 ( -0.000 2.025 0.080) 2.027 15.755 ( -0.000 2.102 -0.373) 2.135 20.772 ( 0.000 -8.592 1.770) 8.773 22.320 ( 0.000 -25.055 7.624) 26.189 ======================= Grid point 1226 (324/344) ======================= q-point: ( 0.47 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.166 ( 3.127 12.252 11.541) 17.119 2.386 ( 6.527 14.444 22.137) 27.227 2.985 ( 6.561 3.716 -0.798) 7.583 4.511 ( 1.434 7.041 -4.694) 8.583 4.941 ( 14.516 19.430 2.848) 24.420 7.330 ( -14.171 -22.671 -2.603) 26.862 8.458 ( -17.722 -20.420 -2.291) 27.135 9.063 ( -24.132 12.324 -1.634) 27.146 9.514 ( 21.614 -13.864 -8.554) 27.066 10.059 ( 11.231 9.313 -9.050) 17.170 10.565 ( -6.819 -17.252 -3.581) 18.893 11.625 ( -13.009 -2.453 3.501) 13.693 12.197 ( 5.077 12.639 0.593) 13.634 12.374 ( 14.909 13.720 -3.111) 20.499 15.759 ( 0.398 0.649 0.009) 0.761 15.804 ( 2.471 2.855 0.128) 3.778 20.632 ( -5.181 -10.125 2.217) 11.587 21.944 ( -14.985 -26.905 11.562) 32.896 ======================= Grid point 1227 (325/344) ======================= q-point: ( 0.53 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.417 ( 6.831 11.166 8.494) 15.604 2.639 ( 2.098 8.510 19.244) 21.146 3.303 ( 20.130 15.271 -11.424) 27.730 4.622 ( 3.199 8.968 -1.759) 9.683 5.436 ( 18.727 16.548 3.403) 25.222 6.894 ( -13.171 -11.201 -1.359) 17.343 8.024 ( -9.866 -19.598 3.847) 22.276 8.712 ( -30.481 13.831 3.601) 33.666 9.703 ( 20.960 -18.937 -12.391) 30.846 9.866 ( -13.748 -23.779 0.637) 27.474 10.559 ( 4.532 15.811 -15.409) 22.538 11.394 ( -9.030 -7.865 5.560) 13.203 12.413 ( 5.413 10.502 0.981) 11.856 12.734 ( 13.798 12.217 -5.873) 19.343 15.745 ( -1.877 -2.016 -0.384) 2.781 15.877 ( 2.497 2.810 -0.050) 3.760 20.441 ( -6.126 -8.600 2.464) 10.843 21.405 ( -21.244 -24.803 10.759) 34.384 ======================= Grid point 1228 (326/344) ======================= q-point: ( 0.60 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.670 ( 8.215 8.339 5.276) 12.840 2.859 ( 4.872 13.148 9.704) 17.052 3.799 ( 22.482 14.481 -10.191) 28.618 4.778 ( 3.159 10.549 1.544) 11.120 5.902 ( 16.889 11.461 0.530) 20.418 6.691 ( -3.009 -2.231 5.184) 6.395 7.725 ( -6.356 -15.864 3.290) 17.403 8.329 ( -29.785 11.425 4.719) 32.248 9.227 ( -24.932 -22.539 -6.525) 34.237 9.886 ( 21.064 -19.761 -4.837) 29.285 10.725 ( 0.895 15.985 -9.082) 18.407 11.222 ( -0.872 -11.576 4.266) 12.368 12.596 ( 4.271 8.157 2.491) 9.539 13.058 ( 12.160 12.085 -6.494) 18.332 15.633 ( -7.466 -3.344 -2.229) 8.479 15.945 ( 2.700 1.670 -0.218) 3.182 20.281 ( -4.551 -6.079 1.552) 7.751 20.816 ( -22.902 -22.024 7.259) 32.593 ======================= Grid point 1229 (327/344) ======================= q-point: ( 0.67 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.913 ( 7.999 8.892 1.404) 12.043 3.127 ( 6.357 14.518 4.707) 16.532 4.256 ( 19.502 10.168 -9.032) 23.776 4.946 ( 2.034 11.354 4.743) 12.472 6.237 ( 11.962 6.081 -1.542) 13.507 6.754 ( 5.527 1.692 9.833) 11.406 7.492 ( -5.899 -10.071 -2.897) 12.026 7.953 ( -25.816 7.100 4.469) 27.145 8.506 ( -29.280 -19.937 -9.608) 36.703 10.020 ( 15.086 -15.901 2.161) 22.025 10.844 ( 2.832 4.953 1.541) 5.909 11.191 ( 7.198 -6.638 0.451) 9.802 12.753 ( 3.708 6.957 5.081) 9.379 13.346 ( 9.512 12.565 -6.719) 17.132 15.416 ( -11.431 -2.968 -5.709) 13.117 16.001 ( 2.541 0.540 -0.081) 2.599 20.163 ( -5.404 -4.807 -5.809) 9.277 20.250 ( -19.034 -18.169 10.142) 28.201 ======================= Grid point 1241 (328/344) ======================= q-point: ( 0.47 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.291 ( 0.000 11.678 6.341) 13.288 2.599 ( 0.000 18.199 22.198) 28.705 2.955 ( -0.000 6.859 -6.522) 9.465 4.550 ( -0.000 7.759 -5.655) 9.601 5.060 ( 0.000 24.541 5.769) 25.210 7.212 ( -0.000 -20.116 -4.302) 20.571 8.499 ( -0.000 -21.921 -3.677) 22.228 8.849 ( -0.000 -17.128 -15.294) 22.963 9.693 ( 0.000 12.820 9.787) 16.128 9.901 ( -0.000 -0.257 -4.707) 4.714 10.410 ( -0.000 -14.106 -4.973) 14.957 11.723 ( -0.000 -6.109 -5.769) 8.402 12.269 ( -0.000 13.091 -1.108) 13.138 12.404 ( 0.000 18.100 2.441) 18.264 15.770 ( 0.000 -1.422 0.291) 1.452 15.801 ( 0.000 3.890 0.707) 3.953 20.571 ( 0.000 -11.987 2.672) 12.281 21.814 ( 0.000 -31.173 10.156) 32.786 ======================= Grid point 1242 (329/344) ======================= q-point: ( 0.53 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.465 ( 3.870 11.379 4.491) 12.830 2.780 ( 0.128 6.016 13.935) 15.178 3.178 ( 10.042 23.721 -7.500) 26.828 4.648 ( 3.660 9.388 -3.935) 10.818 5.406 ( 8.483 22.340 5.740) 24.576 6.949 ( -7.749 -11.782 -5.774) 15.238 8.056 ( -14.351 -18.675 0.590) 23.560 8.927 ( 24.193 -18.780 -13.812) 33.597 9.470 ( -25.592 6.459 7.804) 27.524 9.811 ( -7.294 -24.412 5.033) 25.971 10.499 ( 11.876 12.183 -11.250) 20.397 11.508 ( -11.359 -8.319 -3.876) 14.603 12.447 ( 4.775 11.767 -1.709) 12.814 12.661 ( 7.960 15.761 0.406) 17.662 15.737 ( -0.428 -3.765 0.464) 3.817 15.869 ( 2.089 3.279 0.704) 3.951 20.435 ( -3.152 -10.666 2.989) 11.517 21.438 ( -10.598 -30.368 7.711) 33.076 ======================= Grid point 1243 (330/344) ======================= q-point: ( 0.60 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.661 ( 5.126 9.261 3.301) 11.088 2.952 ( 5.364 13.008 4.786) 14.862 3.605 ( 14.355 20.714 -4.572) 25.613 4.827 ( 5.435 11.672 -0.995) 12.914 5.794 ( 10.899 16.291 2.547) 19.765 6.738 ( -4.628 -3.219 -1.542) 5.844 7.710 ( -7.895 -14.304 2.482) 16.526 8.989 ( -18.438 3.465 0.814) 18.779 9.204 ( 12.112 -18.948 -4.313) 22.898 9.356 ( -14.521 -23.250 1.752) 27.468 10.778 ( 8.016 14.252 -7.430) 17.960 11.193 ( -10.478 -13.354 -0.143) 16.975 12.627 ( 3.881 9.468 0.150) 10.234 12.975 ( 10.482 14.917 -2.078) 18.349 15.677 ( -2.092 -4.849 0.017) 5.281 15.927 ( 1.319 2.008 0.184) 2.410 20.289 ( -3.683 -7.919 2.248) 9.018 20.930 ( -16.220 -27.446 3.858) 32.113 ======================= Grid point 1244 (331/344) ======================= q-point: ( 0.67 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.877 ( 7.639 10.834 0.703) 13.275 3.224 ( 5.393 17.539 2.706) 18.548 4.026 ( 15.751 13.721 -4.092) 21.286 5.045 ( 4.278 13.765 1.906) 14.540 6.106 ( 9.915 9.159 -0.877) 13.527 6.723 ( 2.560 1.327 3.582) 4.599 7.486 ( -5.272 -9.234 -0.531) 10.646 8.551 ( -28.601 -4.239 6.410) 29.616 8.758 ( -27.270 -9.179 -6.533) 29.506 9.426 ( 27.535 -22.203 -2.284) 35.445 10.870 ( -7.456 -11.655 1.549) 13.922 11.045 ( 8.261 6.394 0.295) 10.450 12.777 ( 3.592 6.927 2.583) 8.219 13.298 ( 10.047 15.850 -3.261) 19.047 15.550 ( -7.564 -3.329 -1.918) 8.484 15.963 ( 1.772 0.156 0.091) 1.781 20.169 ( -3.217 -5.091 -1.376) 6.178 20.384 ( -17.295 -24.028 2.738) 29.732 ======================= Grid point 1257 (332/344) ======================= q-point: ( 0.53 0.53 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.554 ( 0.000 11.844 0.871) 11.877 2.830 ( 0.000 2.843 1.748) 3.338 3.380 ( 0.000 30.066 2.258) 30.151 4.680 ( -0.000 8.819 -5.045) 10.160 5.601 ( 0.000 23.566 6.807) 24.529 6.888 ( -0.000 -7.236 -9.222) 11.722 8.064 ( 0.000 -20.670 2.281) 20.795 8.362 ( -0.000 -19.297 -12.827) 23.171 9.505 ( 0.000 -32.900 7.814) 33.815 10.010 ( 0.000 10.641 9.692) 14.393 10.412 ( -0.000 13.478 -10.708) 17.213 11.514 ( -0.000 -7.849 -9.437) 12.274 12.494 ( -0.000 10.686 -2.863) 11.063 12.774 ( 0.000 16.487 3.849) 16.931 15.682 ( 0.000 -8.059 1.476) 8.193 15.892 ( 0.000 4.226 0.871) 4.315 20.368 ( 0.000 -10.122 3.613) 10.748 21.237 ( 0.000 -31.744 4.176) 32.017 ======================= Grid point 1258 (333/344) ======================= q-point: ( 0.60 0.53 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.699 ( 2.776 10.613 0.259) 10.973 2.937 ( 7.275 9.041 -3.129) 12.019 3.712 ( 2.851 26.778 4.290) 27.269 4.809 ( 6.460 9.288 -4.000) 12.000 5.876 ( 2.981 19.694 4.702) 20.466 6.770 ( -3.472 -1.099 -8.289) 9.054 7.727 ( -9.738 -15.157 2.455) 18.183 8.415 ( 24.354 -21.649 -9.298) 33.886 9.142 ( -5.821 -33.870 8.114) 35.312 9.831 ( -27.440 10.876 4.790) 29.903 10.694 ( 12.710 11.710 -4.377) 17.828 11.287 ( -12.059 -7.893 -6.741) 15.911 12.632 ( 4.720 8.886 -3.782) 10.749 12.997 ( 5.259 15.818 4.104) 17.167 15.608 ( 1.379 -9.629 2.116) 9.955 15.940 ( 0.412 3.266 0.503) 3.330 20.270 ( -2.073 -8.011 3.434) 8.959 20.858 ( -8.018 -30.047 -0.072) 31.099 ======================= Grid point 1273 (334/344) ======================= q-point: (-0.40 -0.40 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.780 ( -0.000 10.850 -1.333) 10.932 2.942 ( -0.000 10.590 -5.449) 11.910 3.988 ( 0.000 25.856 7.904) 27.037 4.811 ( -0.000 7.838 -5.313) 9.469 6.069 ( 0.000 18.099 4.351) 18.615 6.770 ( -0.000 2.891 -11.874) 12.220 7.717 ( 0.000 -17.725 8.335) 19.586 7.917 ( -0.000 -15.527 -11.083) 19.077 8.863 ( 0.000 -36.680 9.486) 37.886 10.216 ( 0.000 3.690 2.836) 4.654 10.647 ( -0.000 14.646 -4.026) 15.189 11.328 ( -0.000 -2.964 -6.172) 6.847 12.653 ( -0.000 7.925 -4.319) 9.026 13.124 ( 0.000 14.688 5.956) 15.850 15.489 ( 0.000 -12.270 4.106) 12.938 15.975 ( 0.000 3.391 0.556) 3.437 20.227 ( 0.000 -7.039 4.258) 8.227 20.616 ( -0.000 -29.633 -4.527) 29.977 ======================= Grid point 1451 (335/344) ======================= q-point: ( 0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.940 ( 0.000 -0.000 14.533) 14.533 1.940 ( 0.000 -0.000 14.533) 14.533 3.068 ( 0.000 -0.000 22.617) 22.617 4.392 ( -0.000 0.000 -5.567) 5.567 4.392 ( -0.000 0.000 -5.567) 5.567 8.226 ( -0.000 0.000 -12.504) 12.504 9.094 ( 0.000 0.000 4.435) 4.435 9.094 ( 0.000 -0.000 4.435) 4.435 9.376 ( -0.000 0.000 -9.769) 9.769 9.376 ( -0.000 -0.000 -9.769) 9.769 11.272 ( -0.000 0.000 -0.899) 0.899 11.788 ( 0.000 -0.000 4.023) 4.023 11.788 ( 0.000 -0.000 4.023) 4.023 11.898 ( 0.000 -0.000 1.487) 1.487 15.720 ( -0.000 0.000 -0.347) 0.347 15.720 ( -0.000 0.000 -0.347) 0.347 20.867 ( 0.000 -0.000 1.221) 1.221 22.595 ( 0.000 -0.000 0.332) 0.332 ======================= Grid point 1452 (336/344) ======================= q-point: ( 0.47 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.042 ( 5.490 3.170 12.343) 13.876 2.201 ( 15.086 8.710 12.556) 21.473 3.039 ( -5.898 -3.405 9.629) 11.794 4.403 ( 2.937 1.696 -3.667) 4.995 4.622 ( 18.620 10.750 -1.345) 21.542 7.771 ( -26.890 -15.525 -3.761) 31.277 8.813 ( -13.716 -7.919 1.737) 15.933 8.937 ( -19.234 -11.105 -1.269) 22.245 9.608 ( 23.184 13.385 -6.206) 27.480 9.674 ( 13.703 7.912 -10.595) 19.043 10.942 ( -21.072 -12.166 -0.500) 24.337 11.690 ( -6.716 -3.878 7.177) 10.566 12.012 ( 8.465 4.887 1.086) 9.834 12.119 ( 17.621 10.173 -2.471) 20.496 15.741 ( 1.818 1.049 0.278) 2.117 15.751 ( 2.408 1.390 -0.658) 2.857 20.785 ( -6.933 -4.003 1.059) 8.076 22.368 ( -18.409 -10.629 4.230) 21.674 ======================= Grid point 1453 (337/344) ======================= q-point: ( 0.53 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.264 ( 9.721 5.612 8.669) 14.182 2.601 ( 9.301 5.370 20.890) 23.489 3.033 ( 10.752 6.207 -12.048) 17.300 4.494 ( 5.478 3.163 -1.055) 6.413 5.130 ( 23.480 13.556 0.577) 27.119 7.161 ( -22.645 -13.074 -0.235) 26.149 8.479 ( -15.125 -8.733 -1.619) 17.540 8.524 ( -17.660 -10.196 11.229) 23.279 9.923 ( 11.150 6.437 -9.955) 16.275 9.959 ( 6.858 3.960 -11.347) 13.837 10.434 ( -17.932 -10.353 -4.113) 21.110 11.546 ( -8.068 -4.658 9.192) 13.087 12.243 ( 10.193 5.885 1.148) 11.825 12.495 ( 16.101 9.296 -5.357) 19.348 15.769 ( -0.361 -0.208 0.220) 0.471 15.819 ( 3.529 2.037 -0.775) 4.148 20.591 ( -9.276 -5.355 0.823) 10.742 21.854 ( -26.536 -15.321 6.587) 31.341 ======================= Grid point 1454 (338/344) ======================= q-point: ( 0.60 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.532 ( 10.739 6.200 4.734) 13.274 2.761 ( 3.530 2.038 12.475) 13.124 3.462 ( 25.116 14.501 -11.018) 31.024 4.639 ( 6.711 3.875 2.061) 8.018 5.653 ( 21.145 12.208 -1.919) 24.491 6.798 ( -9.093 -5.250 6.142) 12.164 8.106 ( -15.836 -9.143 -5.070) 18.975 8.197 ( -15.341 -8.857 15.573) 23.586 9.594 ( -27.505 -15.880 -7.652) 32.668 10.109 ( 7.694 4.442 -7.519) 11.639 10.391 ( 9.586 5.534 -6.616) 12.895 11.406 ( -6.553 -3.783 9.101) 11.836 12.466 ( 8.410 4.855 2.001) 9.915 12.829 ( 14.622 8.442 -5.762) 17.841 15.697 ( -5.974 -3.449 -1.247) 7.010 15.901 ( 3.597 2.077 -0.719) 4.216 20.390 ( -7.812 -4.510 -0.389) 9.029 21.233 ( -28.241 -16.305 4.797) 32.961 ======================= Grid point 1467 (339/344) ======================= q-point: ( 0.47 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( 0.000 7.557 6.147) 9.742 2.220 ( 0.000 18.911 10.959) 21.857 3.063 ( 0.000 -10.611 7.378) 12.924 4.406 ( -0.000 4.493 -4.079) 6.068 4.600 ( -0.000 21.005 0.716) 21.017 7.741 ( -0.000 -30.429 -1.540) 30.468 8.900 ( -0.000 -19.648 -5.933) 20.524 9.027 ( -0.000 -5.898 -9.807) 11.444 9.456 ( 0.000 14.085 8.187) 16.292 9.623 ( -0.000 16.552 -6.380) 17.739 10.916 ( 0.000 -26.465 1.724) 26.521 11.803 ( -0.000 -3.094 -2.393) 3.911 12.019 ( 0.000 10.891 0.604) 10.907 12.052 ( 0.000 17.387 3.165) 17.673 15.739 ( 0.000 2.328 0.349) 2.354 15.750 ( -0.000 2.293 -0.441) 2.335 20.787 ( 0.000 -8.186 0.883) 8.233 22.380 ( 0.000 -20.522 3.129) 20.759 ======================= Grid point 1468 (340/344) ======================= q-point: ( 0.53 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.257 ( 4.411 10.006 4.135) 11.691 2.591 ( 11.021 20.986 11.751) 26.457 2.943 ( -1.352 -5.834 -4.615) 7.561 4.473 ( 2.886 6.611 -1.798) 7.435 4.968 ( 13.840 21.852 1.482) 25.909 7.307 ( -14.023 -23.698 -1.184) 27.561 8.442 ( -13.727 -20.303 -0.561) 24.515 9.043 ( -9.555 4.620 -1.300) 10.693 9.450 ( 7.409 -6.579 -2.698) 10.269 9.985 ( 10.152 13.830 -3.515) 17.513 10.547 ( -11.020 -21.435 -0.390) 24.105 11.653 ( -7.713 -6.309 1.281) 10.047 12.202 ( 5.983 11.805 0.219) 13.237 12.351 ( 11.034 14.750 -1.001) 18.448 15.759 ( 0.345 0.584 0.025) 0.679 15.804 ( 2.219 3.383 0.030) 4.046 20.648 ( -5.233 -9.445 0.713) 10.821 22.029 ( -14.101 -24.750 3.638) 28.717 ======================= Grid point 1469 (341/344) ======================= q-point: ( 0.60 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.478 ( 7.099 10.042 2.169) 12.487 2.817 ( -0.969 2.671 9.247) 9.673 3.174 ( 21.090 19.142 -8.563) 29.741 4.618 ( 4.797 8.678 1.149) 9.982 5.449 ( 17.182 17.751 -1.375) 24.743 6.900 ( -9.840 -12.168 2.520) 15.851 8.054 ( -8.787 -19.891 1.282) 21.783 8.788 ( -28.910 12.683 9.841) 33.068 9.572 ( 18.863 -18.605 -10.293) 28.423 9.855 ( -14.737 -20.625 -2.493) 25.472 10.454 ( 3.856 15.127 -2.970) 15.891 11.456 ( -5.802 -11.179 5.185) 13.620 12.428 ( 6.255 10.347 1.582) 12.194 12.683 ( 11.974 12.996 -3.294) 17.976 15.741 ( -2.408 -2.183 -0.348) 3.269 15.875 ( 2.104 3.213 -0.400) 3.861 20.453 ( -6.577 -7.954 -0.319) 10.325 21.474 ( -21.125 -24.603 1.463) 32.461 ======================= Grid point 1483 (342/344) ======================= q-point: ( 0.53 0.53 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( -0.000 10.864 -1.166) 10.926 2.780 ( -0.000 27.674 -2.934) 27.829 2.883 ( 0.000 -5.695 6.497) 8.639 4.502 ( -0.000 7.215 -2.584) 7.664 5.114 ( 0.000 26.464 3.330) 26.672 7.173 ( -0.000 -23.414 -2.321) 23.529 8.474 ( 0.000 -19.792 -0.835) 19.809 8.674 ( -0.000 -17.120 -14.776) 22.615 9.807 ( 0.000 13.270 10.259) 16.773 9.881 ( 0.000 6.178 2.208) 6.561 10.400 ( 0.000 -21.777 1.748) 21.847 11.644 ( -0.000 -8.050 -7.918) 11.291 12.256 ( -0.000 12.195 -1.111) 12.246 12.442 ( 0.000 18.015 4.027) 18.460 15.771 ( -0.000 -0.856 -0.058) 0.858 15.810 ( 0.000 4.031 0.812) 4.112 20.591 ( 0.000 -11.016 0.882) 11.051 21.881 ( 0.000 -30.079 1.735) 30.129 ======================= Grid point 1694 (343/344) ======================= q-point: ( 0.47 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.054 ( 0.000 -0.000 5.159) 5.159 2.054 ( 0.000 -0.000 5.159) 5.159 3.245 ( 0.000 -0.000 7.978) 7.978 4.346 ( -0.000 0.000 -2.137) 2.137 4.346 ( -0.000 0.000 -2.137) 2.137 8.126 ( -0.000 0.000 -4.635) 4.635 9.145 ( 0.000 -0.000 3.859) 3.859 9.145 ( 0.000 -0.000 3.859) 3.859 9.283 ( -0.000 0.000 -5.697) 5.697 9.283 ( -0.000 -0.000 -5.697) 5.697 11.266 ( -0.000 0.000 -0.273) 0.273 11.819 ( 0.000 0.000 1.376) 1.376 11.819 ( 0.000 -0.000 1.376) 1.376 11.909 ( 0.000 -0.000 0.480) 0.480 15.717 ( -0.000 0.000 -0.123) 0.123 15.717 ( -0.000 0.000 -0.123) 0.123 20.876 ( 0.000 -0.000 0.429) 0.429 22.597 ( 0.000 -0.000 0.119) 0.119 ======================= Grid point 1695 (344/344) ======================= q-point: ( 0.53 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.133 ( 5.655 3.265 3.351) 7.340 2.279 ( 16.976 9.801 0.883) 19.622 3.098 ( -10.804 -6.238 1.008) 12.516 4.382 ( 3.493 2.017 0.123) 4.035 4.610 ( 19.660 11.351 -0.935) 22.721 7.739 ( -25.599 -14.779 -1.467) 29.595 8.844 ( -15.521 -8.961 3.775) 18.316 8.950 ( -12.539 -7.239 3.814) 14.973 9.558 ( 13.250 7.650 -9.624) 18.076 9.580 ( 17.330 10.006 0.966) 20.035 10.933 ( -21.907 -12.648 -1.135) 25.322 11.760 ( -4.847 -2.799 5.001) 7.506 12.020 ( 8.670 5.006 0.323) 10.016 12.088 ( 15.900 9.180 -3.033) 18.609 15.744 ( 2.248 1.298 -0.553) 2.653 15.745 ( 1.974 1.139 0.410) 2.315 20.791 ( -6.926 -3.999 0.094) 7.998 22.394 ( -16.746 -9.668 0.471) 19.342 =================== 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 3/60750 10.0 5578.437 5578.437 15829.602 -0.000 0.000 0.000 3/60750 20.0 2221.651 2221.651 3483.908 0.000 -0.000 0.000 3/60750 30.0 932.060 932.060 1038.375 0.000 -0.000 0.000 3/60750 40.0 439.798 439.798 372.316 0.000 -0.000 0.000 3/60750 50.0 245.095 245.095 169.800 0.000 -0.000 0.000 3/60750 60.0 156.301 156.301 95.188 0.000 -0.000 0.000 3/60750 70.0 109.905 109.905 61.662 0.000 -0.000 0.000 3/60750 80.0 82.910 82.910 44.098 0.000 -0.000 0.000 3/60750 90.0 65.836 65.836 33.796 0.000 -0.000 0.000 3/60750 100.0 54.305 54.305 27.227 0.000 -0.000 0.000 3/60750 110.0 46.101 46.101 22.767 0.000 -0.000 0.000 3/60750 120.0 40.015 40.015 19.586 0.000 -0.000 0.000 3/60750 130.0 35.343 35.343 17.229 0.000 -0.000 0.000 3/60750 140.0 31.655 31.655 15.426 0.000 -0.000 0.000 3/60750 150.0 28.676 28.676 14.010 0.000 -0.000 0.000 3/60750 160.0 26.222 26.222 12.871 0.000 -0.000 0.000 3/60750 170.0 24.166 24.166 11.938 0.000 -0.000 0.000 3/60750 180.0 22.421 22.421 11.159 0.000 -0.000 0.000 3/60750 190.0 20.920 20.920 10.498 0.000 -0.000 0.000 3/60750 200.0 19.615 19.615 9.930 0.000 -0.000 0.000 3/60750 210.0 18.471 18.471 9.435 0.000 -0.000 0.000 3/60750 220.0 17.459 17.459 9.000 0.000 -0.000 0.000 3/60750 230.0 16.557 16.557 8.612 0.000 -0.000 0.000 3/60750 240.0 15.748 15.748 8.264 0.000 -0.000 0.000 3/60750 250.0 15.018 15.018 7.949 0.000 -0.000 0.000 3/60750 260.0 14.356 14.356 7.662 0.000 -0.000 0.000 3/60750 270.0 13.753 13.753 7.399 0.000 -0.000 0.000 3/60750 280.0 13.201 13.201 7.156 0.000 -0.000 0.000 3/60750 290.0 12.693 12.693 6.931 0.000 -0.000 0.000 3/60750 300.0 12.224 12.224 6.722 0.000 -0.000 0.000 3/60750 310.0 11.790 11.790 6.526 0.000 -0.000 0.000 3/60750 320.0 11.388 11.388 6.343 0.000 -0.000 0.000 3/60750 330.0 11.013 11.013 6.170 0.000 -0.000 0.000 3/60750 340.0 10.662 10.662 6.008 0.000 -0.000 0.000 3/60750 350.0 10.335 10.335 5.854 0.000 -0.000 0.000 3/60750 360.0 10.027 10.027 5.709 0.000 -0.000 0.000 3/60750 370.0 9.738 9.738 5.570 0.000 -0.000 0.000 3/60750 380.0 9.465 9.465 5.439 0.000 -0.000 0.000 3/60750 390.0 9.208 9.208 5.314 0.000 -0.000 0.000 3/60750 400.0 8.965 8.965 5.195 0.000 -0.000 0.000 3/60750 410.0 8.735 8.735 5.080 0.000 -0.000 0.000 3/60750 420.0 8.517 8.517 4.971 0.000 -0.000 0.000 3/60750 430.0 8.309 8.309 4.867 0.000 -0.000 0.000 3/60750 440.0 8.112 8.112 4.767 0.000 -0.000 0.000 3/60750 450.0 7.924 7.924 4.671 0.000 -0.000 0.000 3/60750 460.0 7.745 7.745 4.579 0.000 -0.000 0.000 3/60750 470.0 7.573 7.573 4.490 0.000 -0.000 0.000 3/60750 480.0 7.410 7.410 4.404 0.000 -0.000 0.000 3/60750 490.0 7.253 7.253 4.322 0.000 -0.000 0.000 3/60750 500.0 7.103 7.103 4.243 0.000 -0.000 0.000 3/60750 510.0 6.960 6.960 4.167 0.000 -0.000 0.000 3/60750 520.0 6.822 6.822 4.093 0.000 -0.000 0.000 3/60750 530.0 6.689 6.689 4.022 0.000 -0.000 0.000 3/60750 540.0 6.562 6.562 3.953 0.000 -0.000 0.000 3/60750 550.0 6.439 6.439 3.886 0.000 -0.000 0.000 3/60750 560.0 6.321 6.321 3.822 0.000 -0.000 0.000 3/60750 570.0 6.208 6.208 3.760 0.000 -0.000 0.000 3/60750 580.0 6.098 6.098 3.699 0.000 -0.000 0.000 3/60750 590.0 5.993 5.993 3.641 0.000 -0.000 0.000 3/60750 600.0 5.890 5.890 3.584 0.000 -0.000 0.000 3/60750 610.0 5.792 5.792 3.529 0.000 -0.000 0.000 3/60750 620.0 5.697 5.697 3.476 0.000 -0.000 0.000 3/60750 630.0 5.604 5.604 3.424 0.000 -0.000 0.000 3/60750 640.0 5.515 5.515 3.374 0.000 -0.000 0.000 3/60750 650.0 5.429 5.429 3.325 0.000 -0.000 0.000 3/60750 660.0 5.345 5.345 3.278 0.000 -0.000 0.000 3/60750 670.0 5.264 5.264 3.231 0.000 -0.000 0.000 3/60750 680.0 5.185 5.185 3.187 0.000 -0.000 0.000 3/60750 690.0 5.109 5.109 3.143 0.000 -0.000 0.000 3/60750 700.0 5.035 5.035 3.100 0.000 -0.000 0.000 3/60750 710.0 4.963 4.963 3.059 0.000 -0.000 0.000 3/60750 720.0 4.893 4.893 3.019 0.000 -0.000 0.000 3/60750 730.0 4.825 4.825 2.979 0.000 -0.000 0.000 3/60750 740.0 4.759 4.759 2.941 0.000 -0.000 0.000 3/60750 750.0 4.695 4.695 2.904 0.000 -0.000 0.000 3/60750 760.0 4.632 4.632 2.867 0.000 -0.000 0.000 3/60750 770.0 4.571 4.571 2.832 0.000 -0.000 0.000 3/60750 780.0 4.512 4.512 2.797 0.000 -0.000 0.000 3/60750 790.0 4.454 4.454 2.763 0.000 -0.000 0.000 3/60750 800.0 4.398 4.398 2.730 0.000 -0.000 0.000 3/60750 810.0 4.343 4.343 2.698 0.000 -0.000 0.000 3/60750 820.0 4.289 4.289 2.666 0.000 -0.000 0.000 3/60750 830.0 4.237 4.237 2.635 0.000 -0.000 0.000 3/60750 840.0 4.186 4.186 2.605 0.000 -0.000 0.000 3/60750 850.0 4.137 4.137 2.576 0.000 -0.000 0.000 3/60750 860.0 4.088 4.088 2.547 0.000 -0.000 0.000 3/60750 870.0 4.041 4.041 2.519 0.000 -0.000 0.000 3/60750 880.0 3.994 3.994 2.491 0.000 -0.000 0.000 3/60750 890.0 3.949 3.949 2.464 0.000 -0.000 0.000 3/60750 900.0 3.905 3.905 2.438 0.000 -0.000 0.000 3/60750 910.0 3.861 3.861 2.412 0.000 -0.000 0.000 3/60750 920.0 3.819 3.819 2.386 0.000 -0.000 0.000 3/60750 930.0 3.778 3.778 2.361 0.000 -0.000 0.000 3/60750 940.0 3.737 3.737 2.337 0.000 -0.000 0.000 3/60750 950.0 3.698 3.698 2.313 0.000 -0.000 0.000 3/60750 960.0 3.659 3.659 2.290 0.000 -0.000 0.000 3/60750 970.0 3.621 3.621 2.267 0.000 -0.000 0.000 3/60750 980.0 3.584 3.584 2.245 0.000 -0.000 0.000 3/60750 990.0 3.547 3.547 2.223 0.000 -0.000 0.000 3/60750 1000.0 3.511 3.511 2.201 0.000 -0.000 0.000 3/60750 Thermal conductivity related properties were written into "kappa-m151515.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:57:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|