----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:36:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 2 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnnm (58) Number of symmetry operations in supercell: 144 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.222980520000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.225173420000000 0.000000000000000 c 0.000000000000000 0.000000000000000 3.636791350000000 Atomic positions (fractional): *1 Na 0.19071967135431 0.80911765458732 0.50000000000000 22.990 2 Na 0.69071967135431 0.69088234541268 0.00000000000000 22.990 3 Na 0.30928032864569 0.30911765458732 0.00000000000000 22.990 4 Na 0.80928032864569 0.19088234541268 0.50000000000000 22.990 *5 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 6 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.222980520000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.225173420000000 0.000000000000000 c 0.000000000000000 0.000000000000000 3.636791350000000 Atomic positions (fractional): *1 Na 0.19071967135431 0.80911765458732 0.50000000000000 22.990 > 1 2 Na 0.69071967135431 0.69088234541268 0.00000000000000 22.990 > 2 3 Na 0.30928032864569 0.30911765458732 0.00000000000000 22.990 > 3 4 Na 0.80928032864569 0.19088234541268 0.50000000000000 22.990 > 4 *5 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 > 5 6 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 > 6 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.668941560000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.450346840000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.910374050000001 Atomic positions (fractional): *1 Na 0.06357322378477 0.40455882729366 0.16666666666667 22.990 > 1 2 Na 0.39690655711810 0.40455882729366 0.16666666666667 22.990 > 1 3 Na 0.73023989045144 0.40455882729366 0.16666666666667 22.990 > 1 4 Na 0.06357322378477 0.90455882729366 0.16666666666667 22.990 > 1 5 Na 0.39690655711810 0.90455882729366 0.16666666666667 22.990 > 1 6 Na 0.73023989045144 0.90455882729366 0.16666666666667 22.990 > 1 7 Na 0.06357322378477 0.40455882729366 0.50000000000000 22.990 > 1 8 Na 0.39690655711810 0.40455882729366 0.50000000000000 22.990 > 1 9 Na 0.73023989045144 0.40455882729366 0.50000000000000 22.990 > 1 10 Na 0.06357322378477 0.90455882729366 0.50000000000000 22.990 > 1 11 Na 0.39690655711810 0.90455882729366 0.50000000000000 22.990 > 1 12 Na 0.73023989045144 0.90455882729366 0.50000000000000 22.990 > 1 13 Na 0.06357322378477 0.40455882729366 0.83333333333333 22.990 > 1 14 Na 0.39690655711810 0.40455882729366 0.83333333333333 22.990 > 1 15 Na 0.73023989045144 0.40455882729366 0.83333333333333 22.990 > 1 16 Na 0.06357322378477 0.90455882729366 0.83333333333333 22.990 > 1 17 Na 0.39690655711810 0.90455882729366 0.83333333333333 22.990 > 1 18 Na 0.73023989045144 0.90455882729366 0.83333333333333 22.990 > 1 19 Na 0.23023989045144 0.34544117270634 0.00000000000000 22.990 > 2 20 Na 0.56357322378477 0.34544117270634 0.00000000000000 22.990 > 2 21 Na 0.89690655711810 0.34544117270634 0.00000000000000 22.990 > 2 22 Na 0.23023989045144 0.84544117270634 0.00000000000000 22.990 > 2 23 Na 0.56357322378477 0.84544117270634 0.00000000000000 22.990 > 2 24 Na 0.89690655711810 0.84544117270634 0.00000000000000 22.990 > 2 25 Na 0.23023989045144 0.34544117270634 0.33333333333333 22.990 > 2 26 Na 0.56357322378477 0.34544117270634 0.33333333333333 22.990 > 2 27 Na 0.89690655711810 0.34544117270634 0.33333333333333 22.990 > 2 28 Na 0.23023989045144 0.84544117270634 0.33333333333333 22.990 > 2 29 Na 0.56357322378477 0.84544117270634 0.33333333333333 22.990 > 2 30 Na 0.89690655711810 0.84544117270634 0.33333333333333 22.990 > 2 31 Na 0.23023989045144 0.34544117270634 0.66666666666667 22.990 > 2 32 Na 0.56357322378477 0.34544117270634 0.66666666666667 22.990 > 2 33 Na 0.89690655711810 0.34544117270634 0.66666666666667 22.990 > 2 34 Na 0.23023989045144 0.84544117270634 0.66666666666667 22.990 > 2 35 Na 0.56357322378477 0.84544117270634 0.66666666666667 22.990 > 2 36 Na 0.89690655711810 0.84544117270634 0.66666666666667 22.990 > 2 37 Na 0.10309344288190 0.15455882729366 0.00000000000000 22.990 > 3 38 Na 0.43642677621523 0.15455882729366 0.00000000000000 22.990 > 3 39 Na 0.76976010954856 0.15455882729366 0.00000000000000 22.990 > 3 40 Na 0.10309344288190 0.65455882729366 0.00000000000000 22.990 > 3 41 Na 0.43642677621523 0.65455882729366 0.00000000000000 22.990 > 3 42 Na 0.76976010954856 0.65455882729366 0.00000000000000 22.990 > 3 43 Na 0.10309344288190 0.15455882729366 0.33333333333333 22.990 > 3 44 Na 0.43642677621523 0.15455882729366 0.33333333333333 22.990 > 3 45 Na 0.76976010954856 0.15455882729366 0.33333333333333 22.990 > 3 46 Na 0.10309344288190 0.65455882729366 0.33333333333333 22.990 > 3 47 Na 0.43642677621523 0.65455882729366 0.33333333333333 22.990 > 3 48 Na 0.76976010954856 0.65455882729366 0.33333333333333 22.990 > 3 49 Na 0.10309344288190 0.15455882729366 0.66666666666667 22.990 > 3 50 Na 0.43642677621523 0.15455882729366 0.66666666666667 22.990 > 3 51 Na 0.76976010954856 0.15455882729366 0.66666666666667 22.990 > 3 52 Na 0.10309344288190 0.65455882729366 0.66666666666667 22.990 > 3 53 Na 0.43642677621523 0.65455882729366 0.66666666666667 22.990 > 3 54 Na 0.76976010954856 0.65455882729366 0.66666666666667 22.990 > 3 55 Na 0.26976010954856 0.09544117270634 0.16666666666667 22.990 > 4 56 Na 0.60309344288190 0.09544117270634 0.16666666666667 22.990 > 4 57 Na 0.93642677621523 0.09544117270634 0.16666666666667 22.990 > 4 58 Na 0.26976010954856 0.59544117270634 0.16666666666667 22.990 > 4 59 Na 0.60309344288190 0.59544117270634 0.16666666666667 22.990 > 4 60 Na 0.93642677621523 0.59544117270634 0.16666666666667 22.990 > 4 61 Na 0.26976010954856 0.09544117270634 0.50000000000000 22.990 > 4 62 Na 0.60309344288190 0.09544117270634 0.50000000000000 22.990 > 4 63 Na 0.93642677621523 0.09544117270634 0.50000000000000 22.990 > 4 64 Na 0.26976010954856 0.59544117270634 0.50000000000000 22.990 > 4 65 Na 0.60309344288190 0.59544117270634 0.50000000000000 22.990 > 4 66 Na 0.93642677621523 0.59544117270634 0.50000000000000 22.990 > 4 67 Na 0.26976010954856 0.09544117270634 0.83333333333333 22.990 > 4 68 Na 0.60309344288190 0.09544117270634 0.83333333333333 22.990 > 4 69 Na 0.93642677621523 0.09544117270634 0.83333333333333 22.990 > 4 70 Na 0.26976010954856 0.59544117270634 0.83333333333333 22.990 > 4 71 Na 0.60309344288190 0.59544117270634 0.83333333333333 22.990 > 4 72 Na 0.93642677621523 0.59544117270634 0.83333333333333 22.990 > 4 *73 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 > 5 74 O 0.33333333333333 0.00000000000000 0.00000000000000 15.999 > 5 75 O 0.66666666666667 0.00000000000000 0.00000000000000 15.999 > 5 76 O 0.00000000000000 0.50000000000000 0.00000000000000 15.999 > 5 77 O 0.33333333333333 0.50000000000000 0.00000000000000 15.999 > 5 78 O 0.66666666666667 0.50000000000000 0.00000000000000 15.999 > 5 79 O 0.00000000000000 0.00000000000000 0.33333333333333 15.999 > 5 80 O 0.33333333333333 0.00000000000000 0.33333333333333 15.999 > 5 81 O 0.66666666666667 0.00000000000000 0.33333333333333 15.999 > 5 82 O 0.00000000000000 0.50000000000000 0.33333333333333 15.999 > 5 83 O 0.33333333333333 0.50000000000000 0.33333333333333 15.999 > 5 84 O 0.66666666666667 0.50000000000000 0.33333333333333 15.999 > 5 85 O 0.00000000000000 0.00000000000000 0.66666666666667 15.999 > 5 86 O 0.33333333333333 0.00000000000000 0.66666666666667 15.999 > 5 87 O 0.66666666666667 0.00000000000000 0.66666666666667 15.999 > 5 88 O 0.00000000000000 0.50000000000000 0.66666666666667 15.999 > 5 89 O 0.33333333333333 0.50000000000000 0.66666666666667 15.999 > 5 90 O 0.66666666666667 0.50000000000000 0.66666666666667 15.999 > 5 91 O 0.16666666666667 0.25000000000000 0.16666666666667 15.999 > 6 92 O 0.50000000000000 0.25000000000000 0.16666666666667 15.999 > 6 93 O 0.83333333333333 0.25000000000000 0.16666666666667 15.999 > 6 94 O 0.16666666666667 0.75000000000000 0.16666666666667 15.999 > 6 95 O 0.50000000000000 0.75000000000000 0.16666666666667 15.999 > 6 96 O 0.83333333333333 0.75000000000000 0.16666666666667 15.999 > 6 97 O 0.16666666666667 0.25000000000000 0.50000000000000 15.999 > 6 98 O 0.50000000000000 0.25000000000000 0.50000000000000 15.999 > 6 99 O 0.83333333333333 0.25000000000000 0.50000000000000 15.999 > 6 100 O 0.16666666666667 0.75000000000000 0.50000000000000 15.999 > 6 101 O 0.50000000000000 0.75000000000000 0.50000000000000 15.999 > 6 102 O 0.83333333333333 0.75000000000000 0.50000000000000 15.999 > 6 103 O 0.16666666666667 0.25000000000000 0.83333333333333 15.999 > 6 104 O 0.50000000000000 0.25000000000000 0.83333333333333 15.999 > 6 105 O 0.83333333333333 0.25000000000000 0.83333333333333 15.999 > 6 106 O 0.16666666666667 0.75000000000000 0.83333333333333 15.999 > 6 107 O 0.50000000000000 0.75000000000000 0.83333333333333 15.999 > 6 108 O 0.83333333333333 0.75000000000000 0.83333333333333 15.999 > 6 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2157126 0.0000000 0.0000000 0.0000000 4.2144107 0.0000000 0.0000000 0.0000000 3.9313152 -------------------------- Born effective charges -------------------------- 1 Na 0.9127749 -0.0269568 0.0000000 -0.0268919 0.9126895 0.0000000 0.0000000 0.0000000 0.8755035 2 Na 0.9127749 0.0269568 0.0000000 0.0268919 0.9126895 0.0000000 0.0000000 0.0000000 0.8755035 3 Na 0.9127749 0.0269568 0.0000000 0.0268919 0.9126895 0.0000000 0.0000000 0.0000000 0.8755035 4 Na 0.9127749 -0.0269568 0.0000000 -0.0268919 0.9126895 0.0000000 0.0000000 0.0000000 0.8755035 5 O -1.8255497 0.0207624 0.0000000 0.0207972 -1.8253790 0.0000000 0.0000000 0.0000000 -1.7510071 6 O -1.8255497 -0.0207624 0.0000000 -0.0207972 -1.8253790 0.0000000 0.0000000 0.0000000 -1.7510071 ---------------------------------------------------------------------------- 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: 324/324 Permutation basis: 3366/3366 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 426 Number of blocks in projector: 426 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 110 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 70 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 70 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 70 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 53 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 53 Use standard eigh solver. Tree of FC basis block matrices: - (426, 416), data: False |-- (53, 53), data: True |-- (53, 53), data: True |-- (70, 68), data: True |-- (70, 68), data: True |-- (70, 68), data: True |-- (110, 106), data: True ----- Solver_atoms: 1 -- 108 / 108 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 160 - Time: 0.329 Solver_block: 160 / 160 - Time: 0.239 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.575 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 324/324 Permutation basis: 3366/3366 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 426 Number of blocks in projector: 426 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 110 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 70 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 70 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 70 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 53 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 53 Use standard eigh solver. Tree of FC basis block matrices: - (426, 416), data: False |-- (53, 53), data: True |-- (53, 53), data: True |-- (70, 68), data: True |-- (70, 68), data: True |-- (70, 68), data: True |-- (110, 106), 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 2026-01-08 23:36:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:36:26]------------------------- 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): [3 2 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnnm (58) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.222980520000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.225173420000000 0.000000000000000 c 0.000000000000000 0.000000000000000 3.636791350000000 Atomic positions (fractional): 1 Na 0.19071967135431 0.80911765458732 0.50000000000000 22.990 2 Na 0.69071967135431 0.69088234541268 0.00000000000000 22.990 3 Na 0.30928032864569 0.30911765458732 0.00000000000000 22.990 4 Na 0.80928032864569 0.19088234541268 0.50000000000000 22.990 5 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 6 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.668941560000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.450346840000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.910374050000001 Atomic positions (fractional): 1 Na 0.06357322378477 0.40455882729366 0.16666666666667 22.990 > 1 2 Na 0.39690655711810 0.40455882729366 0.16666666666667 22.990 > 1 3 Na 0.73023989045144 0.40455882729366 0.16666666666667 22.990 > 1 4 Na 0.06357322378477 0.90455882729366 0.16666666666667 22.990 > 1 5 Na 0.39690655711810 0.90455882729366 0.16666666666667 22.990 > 1 6 Na 0.73023989045144 0.90455882729366 0.16666666666667 22.990 > 1 7 Na 0.06357322378477 0.40455882729366 0.50000000000000 22.990 > 1 8 Na 0.39690655711810 0.40455882729366 0.50000000000000 22.990 > 1 9 Na 0.73023989045144 0.40455882729366 0.50000000000000 22.990 > 1 10 Na 0.06357322378477 0.90455882729366 0.50000000000000 22.990 > 1 11 Na 0.39690655711810 0.90455882729366 0.50000000000000 22.990 > 1 12 Na 0.73023989045144 0.90455882729366 0.50000000000000 22.990 > 1 13 Na 0.06357322378477 0.40455882729366 0.83333333333333 22.990 > 1 14 Na 0.39690655711810 0.40455882729366 0.83333333333333 22.990 > 1 15 Na 0.73023989045144 0.40455882729366 0.83333333333333 22.990 > 1 16 Na 0.06357322378477 0.90455882729366 0.83333333333333 22.990 > 1 17 Na 0.39690655711810 0.90455882729366 0.83333333333333 22.990 > 1 18 Na 0.73023989045144 0.90455882729366 0.83333333333333 22.990 > 1 19 Na 0.23023989045144 0.34544117270634 0.00000000000000 22.990 > 19 20 Na 0.56357322378477 0.34544117270634 0.00000000000000 22.990 > 19 21 Na 0.89690655711810 0.34544117270634 0.00000000000000 22.990 > 19 22 Na 0.23023989045144 0.84544117270634 0.00000000000000 22.990 > 19 23 Na 0.56357322378477 0.84544117270634 0.00000000000000 22.990 > 19 24 Na 0.89690655711810 0.84544117270634 0.00000000000000 22.990 > 19 25 Na 0.23023989045144 0.34544117270634 0.33333333333333 22.990 > 19 26 Na 0.56357322378477 0.34544117270634 0.33333333333333 22.990 > 19 27 Na 0.89690655711810 0.34544117270634 0.33333333333333 22.990 > 19 28 Na 0.23023989045144 0.84544117270634 0.33333333333333 22.990 > 19 29 Na 0.56357322378477 0.84544117270634 0.33333333333333 22.990 > 19 30 Na 0.89690655711810 0.84544117270634 0.33333333333333 22.990 > 19 31 Na 0.23023989045144 0.34544117270634 0.66666666666667 22.990 > 19 32 Na 0.56357322378477 0.34544117270634 0.66666666666667 22.990 > 19 33 Na 0.89690655711810 0.34544117270634 0.66666666666667 22.990 > 19 34 Na 0.23023989045144 0.84544117270634 0.66666666666667 22.990 > 19 35 Na 0.56357322378477 0.84544117270634 0.66666666666667 22.990 > 19 36 Na 0.89690655711810 0.84544117270634 0.66666666666667 22.990 > 19 37 Na 0.10309344288190 0.15455882729366 0.00000000000000 22.990 > 37 38 Na 0.43642677621523 0.15455882729366 0.00000000000000 22.990 > 37 39 Na 0.76976010954856 0.15455882729366 0.00000000000000 22.990 > 37 40 Na 0.10309344288190 0.65455882729366 0.00000000000000 22.990 > 37 41 Na 0.43642677621523 0.65455882729366 0.00000000000000 22.990 > 37 42 Na 0.76976010954856 0.65455882729366 0.00000000000000 22.990 > 37 43 Na 0.10309344288190 0.15455882729366 0.33333333333333 22.990 > 37 44 Na 0.43642677621523 0.15455882729366 0.33333333333333 22.990 > 37 45 Na 0.76976010954856 0.15455882729366 0.33333333333333 22.990 > 37 46 Na 0.10309344288190 0.65455882729366 0.33333333333333 22.990 > 37 47 Na 0.43642677621523 0.65455882729366 0.33333333333333 22.990 > 37 48 Na 0.76976010954856 0.65455882729366 0.33333333333333 22.990 > 37 49 Na 0.10309344288190 0.15455882729366 0.66666666666667 22.990 > 37 50 Na 0.43642677621523 0.15455882729366 0.66666666666667 22.990 > 37 51 Na 0.76976010954856 0.15455882729366 0.66666666666667 22.990 > 37 52 Na 0.10309344288190 0.65455882729366 0.66666666666667 22.990 > 37 53 Na 0.43642677621523 0.65455882729366 0.66666666666667 22.990 > 37 54 Na 0.76976010954856 0.65455882729366 0.66666666666667 22.990 > 37 55 Na 0.26976010954856 0.09544117270634 0.16666666666667 22.990 > 55 56 Na 0.60309344288190 0.09544117270634 0.16666666666667 22.990 > 55 57 Na 0.93642677621523 0.09544117270634 0.16666666666667 22.990 > 55 58 Na 0.26976010954856 0.59544117270634 0.16666666666667 22.990 > 55 59 Na 0.60309344288190 0.59544117270634 0.16666666666667 22.990 > 55 60 Na 0.93642677621523 0.59544117270634 0.16666666666667 22.990 > 55 61 Na 0.26976010954856 0.09544117270634 0.50000000000000 22.990 > 55 62 Na 0.60309344288190 0.09544117270634 0.50000000000000 22.990 > 55 63 Na 0.93642677621523 0.09544117270634 0.50000000000000 22.990 > 55 64 Na 0.26976010954856 0.59544117270634 0.50000000000000 22.990 > 55 65 Na 0.60309344288190 0.59544117270634 0.50000000000000 22.990 > 55 66 Na 0.93642677621523 0.59544117270634 0.50000000000000 22.990 > 55 67 Na 0.26976010954856 0.09544117270634 0.83333333333333 22.990 > 55 68 Na 0.60309344288190 0.09544117270634 0.83333333333333 22.990 > 55 69 Na 0.93642677621523 0.09544117270634 0.83333333333333 22.990 > 55 70 Na 0.26976010954856 0.59544117270634 0.83333333333333 22.990 > 55 71 Na 0.60309344288190 0.59544117270634 0.83333333333333 22.990 > 55 72 Na 0.93642677621523 0.59544117270634 0.83333333333333 22.990 > 55 73 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 > 73 74 O 0.33333333333333 0.00000000000000 0.00000000000000 15.999 > 73 75 O 0.66666666666667 0.00000000000000 0.00000000000000 15.999 > 73 76 O 0.00000000000000 0.50000000000000 0.00000000000000 15.999 > 73 77 O 0.33333333333333 0.50000000000000 0.00000000000000 15.999 > 73 78 O 0.66666666666667 0.50000000000000 0.00000000000000 15.999 > 73 79 O 0.00000000000000 0.00000000000000 0.33333333333333 15.999 > 73 80 O 0.33333333333333 0.00000000000000 0.33333333333333 15.999 > 73 81 O 0.66666666666667 0.00000000000000 0.33333333333333 15.999 > 73 82 O 0.00000000000000 0.50000000000000 0.33333333333333 15.999 > 73 83 O 0.33333333333333 0.50000000000000 0.33333333333333 15.999 > 73 84 O 0.66666666666667 0.50000000000000 0.33333333333333 15.999 > 73 85 O 0.00000000000000 0.00000000000000 0.66666666666667 15.999 > 73 86 O 0.33333333333333 0.00000000000000 0.66666666666667 15.999 > 73 87 O 0.66666666666667 0.00000000000000 0.66666666666667 15.999 > 73 88 O 0.00000000000000 0.50000000000000 0.66666666666667 15.999 > 73 89 O 0.33333333333333 0.50000000000000 0.66666666666667 15.999 > 73 90 O 0.66666666666667 0.50000000000000 0.66666666666667 15.999 > 73 91 O 0.16666666666667 0.25000000000000 0.16666666666667 15.999 > 91 92 O 0.50000000000000 0.25000000000000 0.16666666666667 15.999 > 91 93 O 0.83333333333333 0.25000000000000 0.16666666666667 15.999 > 91 94 O 0.16666666666667 0.75000000000000 0.16666666666667 15.999 > 91 95 O 0.50000000000000 0.75000000000000 0.16666666666667 15.999 > 91 96 O 0.83333333333333 0.75000000000000 0.16666666666667 15.999 > 91 97 O 0.16666666666667 0.25000000000000 0.50000000000000 15.999 > 91 98 O 0.50000000000000 0.25000000000000 0.50000000000000 15.999 > 91 99 O 0.83333333333333 0.25000000000000 0.50000000000000 15.999 > 91 100 O 0.16666666666667 0.75000000000000 0.50000000000000 15.999 > 91 101 O 0.50000000000000 0.75000000000000 0.50000000000000 15.999 > 91 102 O 0.83333333333333 0.75000000000000 0.50000000000000 15.999 > 91 103 O 0.16666666666667 0.25000000000000 0.83333333333333 15.999 > 91 104 O 0.50000000000000 0.25000000000000 0.83333333333333 15.999 > 91 105 O 0.83333333333333 0.25000000000000 0.83333333333333 15.999 > 91 106 O 0.16666666666667 0.75000000000000 0.83333333333333 15.999 > 91 107 O 0.50000000000000 0.75000000000000 0.83333333333333 15.999 > 91 108 O 0.83333333333333 0.75000000000000 0.83333333333333 15.999 > 91 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2157126 0.0000000 0.0000000 0.0000000 4.2144107 0.0000000 0.0000000 0.0000000 3.9313152 -------------------------- Born effective charges -------------------------- 1 Na 0.9127749 -0.0269568 0.0000000 -0.0268919 0.9126895 0.0000000 0.0000000 0.0000000 0.8755035 2 Na 0.9127749 0.0269568 0.0000000 0.0268919 0.9126895 0.0000000 0.0000000 0.0000000 0.8755035 3 Na 0.9127749 0.0269568 0.0000000 0.0268919 0.9126895 0.0000000 0.0000000 0.0000000 0.8755035 4 Na 0.9127749 -0.0269568 0.0000000 -0.0268919 0.9126895 0.0000000 0.0000000 0.0000000 0.8755035 5 O -1.8255497 0.0207624 0.0000000 0.0207972 -1.8253790 0.0000000 0.0000000 0.0000000 -1.7510071 6 O -1.8255497 -0.0207624 0.0000000 -0.0207972 -1.8253790 0.0000000 0.0000000 0.0000000 -1.7510071 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xyx) -0.00000000 (xyx) -0.00000000 (xxy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xy) -0.00000000 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:36:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:36:32]------------------------- 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): [3 2 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnnm (58) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.222980520000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.225173420000000 0.000000000000000 c 0.000000000000000 0.000000000000000 3.636791350000000 Atomic positions (fractional): 1 Na 0.19071967135431 0.80911765458732 0.50000000000000 22.990 2 Na 0.69071967135431 0.69088234541268 0.00000000000000 22.990 3 Na 0.30928032864569 0.30911765458732 0.00000000000000 22.990 4 Na 0.80928032864569 0.19088234541268 0.50000000000000 22.990 5 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 6 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.668941560000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.450346840000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.910374050000001 Atomic positions (fractional): 1 Na 0.06357322378477 0.40455882729366 0.16666666666667 22.990 > 1 2 Na 0.39690655711810 0.40455882729366 0.16666666666667 22.990 > 1 3 Na 0.73023989045144 0.40455882729366 0.16666666666667 22.990 > 1 4 Na 0.06357322378477 0.90455882729366 0.16666666666667 22.990 > 1 5 Na 0.39690655711810 0.90455882729366 0.16666666666667 22.990 > 1 6 Na 0.73023989045144 0.90455882729366 0.16666666666667 22.990 > 1 7 Na 0.06357322378477 0.40455882729366 0.50000000000000 22.990 > 1 8 Na 0.39690655711810 0.40455882729366 0.50000000000000 22.990 > 1 9 Na 0.73023989045144 0.40455882729366 0.50000000000000 22.990 > 1 10 Na 0.06357322378477 0.90455882729366 0.50000000000000 22.990 > 1 11 Na 0.39690655711810 0.90455882729366 0.50000000000000 22.990 > 1 12 Na 0.73023989045144 0.90455882729366 0.50000000000000 22.990 > 1 13 Na 0.06357322378477 0.40455882729366 0.83333333333333 22.990 > 1 14 Na 0.39690655711810 0.40455882729366 0.83333333333333 22.990 > 1 15 Na 0.73023989045144 0.40455882729366 0.83333333333333 22.990 > 1 16 Na 0.06357322378477 0.90455882729366 0.83333333333333 22.990 > 1 17 Na 0.39690655711810 0.90455882729366 0.83333333333333 22.990 > 1 18 Na 0.73023989045144 0.90455882729366 0.83333333333333 22.990 > 1 19 Na 0.23023989045144 0.34544117270634 0.00000000000000 22.990 > 19 20 Na 0.56357322378477 0.34544117270634 0.00000000000000 22.990 > 19 21 Na 0.89690655711810 0.34544117270634 0.00000000000000 22.990 > 19 22 Na 0.23023989045144 0.84544117270634 0.00000000000000 22.990 > 19 23 Na 0.56357322378477 0.84544117270634 0.00000000000000 22.990 > 19 24 Na 0.89690655711810 0.84544117270634 0.00000000000000 22.990 > 19 25 Na 0.23023989045144 0.34544117270634 0.33333333333333 22.990 > 19 26 Na 0.56357322378477 0.34544117270634 0.33333333333333 22.990 > 19 27 Na 0.89690655711810 0.34544117270634 0.33333333333333 22.990 > 19 28 Na 0.23023989045144 0.84544117270634 0.33333333333333 22.990 > 19 29 Na 0.56357322378477 0.84544117270634 0.33333333333333 22.990 > 19 30 Na 0.89690655711810 0.84544117270634 0.33333333333333 22.990 > 19 31 Na 0.23023989045144 0.34544117270634 0.66666666666667 22.990 > 19 32 Na 0.56357322378477 0.34544117270634 0.66666666666667 22.990 > 19 33 Na 0.89690655711810 0.34544117270634 0.66666666666667 22.990 > 19 34 Na 0.23023989045144 0.84544117270634 0.66666666666667 22.990 > 19 35 Na 0.56357322378477 0.84544117270634 0.66666666666667 22.990 > 19 36 Na 0.89690655711810 0.84544117270634 0.66666666666667 22.990 > 19 37 Na 0.10309344288190 0.15455882729366 0.00000000000000 22.990 > 37 38 Na 0.43642677621523 0.15455882729366 0.00000000000000 22.990 > 37 39 Na 0.76976010954856 0.15455882729366 0.00000000000000 22.990 > 37 40 Na 0.10309344288190 0.65455882729366 0.00000000000000 22.990 > 37 41 Na 0.43642677621523 0.65455882729366 0.00000000000000 22.990 > 37 42 Na 0.76976010954856 0.65455882729366 0.00000000000000 22.990 > 37 43 Na 0.10309344288190 0.15455882729366 0.33333333333333 22.990 > 37 44 Na 0.43642677621523 0.15455882729366 0.33333333333333 22.990 > 37 45 Na 0.76976010954856 0.15455882729366 0.33333333333333 22.990 > 37 46 Na 0.10309344288190 0.65455882729366 0.33333333333333 22.990 > 37 47 Na 0.43642677621523 0.65455882729366 0.33333333333333 22.990 > 37 48 Na 0.76976010954856 0.65455882729366 0.33333333333333 22.990 > 37 49 Na 0.10309344288190 0.15455882729366 0.66666666666667 22.990 > 37 50 Na 0.43642677621523 0.15455882729366 0.66666666666667 22.990 > 37 51 Na 0.76976010954856 0.15455882729366 0.66666666666667 22.990 > 37 52 Na 0.10309344288190 0.65455882729366 0.66666666666667 22.990 > 37 53 Na 0.43642677621523 0.65455882729366 0.66666666666667 22.990 > 37 54 Na 0.76976010954856 0.65455882729366 0.66666666666667 22.990 > 37 55 Na 0.26976010954856 0.09544117270634 0.16666666666667 22.990 > 55 56 Na 0.60309344288190 0.09544117270634 0.16666666666667 22.990 > 55 57 Na 0.93642677621523 0.09544117270634 0.16666666666667 22.990 > 55 58 Na 0.26976010954856 0.59544117270634 0.16666666666667 22.990 > 55 59 Na 0.60309344288190 0.59544117270634 0.16666666666667 22.990 > 55 60 Na 0.93642677621523 0.59544117270634 0.16666666666667 22.990 > 55 61 Na 0.26976010954856 0.09544117270634 0.50000000000000 22.990 > 55 62 Na 0.60309344288190 0.09544117270634 0.50000000000000 22.990 > 55 63 Na 0.93642677621523 0.09544117270634 0.50000000000000 22.990 > 55 64 Na 0.26976010954856 0.59544117270634 0.50000000000000 22.990 > 55 65 Na 0.60309344288190 0.59544117270634 0.50000000000000 22.990 > 55 66 Na 0.93642677621523 0.59544117270634 0.50000000000000 22.990 > 55 67 Na 0.26976010954856 0.09544117270634 0.83333333333333 22.990 > 55 68 Na 0.60309344288190 0.09544117270634 0.83333333333333 22.990 > 55 69 Na 0.93642677621523 0.09544117270634 0.83333333333333 22.990 > 55 70 Na 0.26976010954856 0.59544117270634 0.83333333333333 22.990 > 55 71 Na 0.60309344288190 0.59544117270634 0.83333333333333 22.990 > 55 72 Na 0.93642677621523 0.59544117270634 0.83333333333333 22.990 > 55 73 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 > 73 74 O 0.33333333333333 0.00000000000000 0.00000000000000 15.999 > 73 75 O 0.66666666666667 0.00000000000000 0.00000000000000 15.999 > 73 76 O 0.00000000000000 0.50000000000000 0.00000000000000 15.999 > 73 77 O 0.33333333333333 0.50000000000000 0.00000000000000 15.999 > 73 78 O 0.66666666666667 0.50000000000000 0.00000000000000 15.999 > 73 79 O 0.00000000000000 0.00000000000000 0.33333333333333 15.999 > 73 80 O 0.33333333333333 0.00000000000000 0.33333333333333 15.999 > 73 81 O 0.66666666666667 0.00000000000000 0.33333333333333 15.999 > 73 82 O 0.00000000000000 0.50000000000000 0.33333333333333 15.999 > 73 83 O 0.33333333333333 0.50000000000000 0.33333333333333 15.999 > 73 84 O 0.66666666666667 0.50000000000000 0.33333333333333 15.999 > 73 85 O 0.00000000000000 0.00000000000000 0.66666666666667 15.999 > 73 86 O 0.33333333333333 0.00000000000000 0.66666666666667 15.999 > 73 87 O 0.66666666666667 0.00000000000000 0.66666666666667 15.999 > 73 88 O 0.00000000000000 0.50000000000000 0.66666666666667 15.999 > 73 89 O 0.33333333333333 0.50000000000000 0.66666666666667 15.999 > 73 90 O 0.66666666666667 0.50000000000000 0.66666666666667 15.999 > 73 91 O 0.16666666666667 0.25000000000000 0.16666666666667 15.999 > 91 92 O 0.50000000000000 0.25000000000000 0.16666666666667 15.999 > 91 93 O 0.83333333333333 0.25000000000000 0.16666666666667 15.999 > 91 94 O 0.16666666666667 0.75000000000000 0.16666666666667 15.999 > 91 95 O 0.50000000000000 0.75000000000000 0.16666666666667 15.999 > 91 96 O 0.83333333333333 0.75000000000000 0.16666666666667 15.999 > 91 97 O 0.16666666666667 0.25000000000000 0.50000000000000 15.999 > 91 98 O 0.50000000000000 0.25000000000000 0.50000000000000 15.999 > 91 99 O 0.83333333333333 0.25000000000000 0.50000000000000 15.999 > 91 100 O 0.16666666666667 0.75000000000000 0.50000000000000 15.999 > 91 101 O 0.50000000000000 0.75000000000000 0.50000000000000 15.999 > 91 102 O 0.83333333333333 0.75000000000000 0.50000000000000 15.999 > 91 103 O 0.16666666666667 0.25000000000000 0.83333333333333 15.999 > 91 104 O 0.50000000000000 0.25000000000000 0.83333333333333 15.999 > 91 105 O 0.83333333333333 0.25000000000000 0.83333333333333 15.999 > 91 106 O 0.16666666666667 0.75000000000000 0.83333333333333 15.999 > 91 107 O 0.50000000000000 0.75000000000000 0.83333333333333 15.999 > 91 108 O 0.83333333333333 0.75000000000000 0.83333333333333 15.999 > 91 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.2157126 0.0000000 0.0000000 0.0000000 4.2144107 0.0000000 0.0000000 0.0000000 3.9313152 -------------------------- Born effective charges -------------------------- 1 Na 0.9127749 -0.0269568 0.0000000 -0.0268919 0.9126895 0.0000000 0.0000000 0.0000000 0.8755035 2 Na 0.9127749 0.0269568 0.0000000 0.0268919 0.9126895 0.0000000 0.0000000 0.0000000 0.8755035 3 Na 0.9127749 0.0269568 0.0000000 0.0268919 0.9126895 0.0000000 0.0000000 0.0000000 0.8755035 4 Na 0.9127749 -0.0269568 0.0000000 -0.0268919 0.9126895 0.0000000 0.0000000 0.0000000 0.8755035 5 O -1.8255497 0.0207624 0.0000000 0.0207972 -1.8253790 0.0000000 0.0000000 0.0000000 -1.7510071 6 O -1.8255497 -0.0207624 0.0000000 -0.0207972 -1.8253790 0.0000000 0.0000000 0.0000000 -1.7510071 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xyx) -0.00000000 (xyx) -0.00000000 (xxy) 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 ... [ 10 10 14 ] 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: 0.90, Number of G-points: 299, Lambda: 0.19 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/288) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.759 ( 0.000 0.000 0.000) 0.000 4.832 ( 0.000 0.000 0.000) 0.000 4.838 ( 0.000 0.000 0.000) 0.000 5.023 ( 0.000 0.000 0.000) 0.000 5.825 ( 0.000 0.000 0.000) 0.000 5.828 ( 0.000 0.000 0.000) 0.000 6.610 ( 0.000 0.000 0.000) 0.000 7.601 ( 0.000 0.000 0.000) 0.000 9.421 ( 0.000 0.000 0.000) 0.000 9.422 ( 0.000 0.000 0.000) 0.000 9.455 ( 0.000 0.000 0.000) 0.000 10.251 ( 0.000 0.000 0.000) 0.000 10.252 ( 0.000 0.000 0.000) 0.000 10.293 ( 0.000 0.000 0.000) 0.000 10.423 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/288) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.665 ( 34.623 0.000 0.000) 34.623 0.830 ( 42.035 0.000 0.000) 42.035 0.924 ( 47.632 0.000 0.000) 47.632 1.832 ( 7.440 0.000 0.000) 7.440 4.854 ( 1.648 0.000 0.000) 1.648 4.905 ( -11.625 0.000 0.000) 11.625 5.662 ( -1.245 0.000 0.000) 1.245 5.838 ( 1.312 0.000 0.000) 1.312 5.873 ( 4.042 0.000 0.000) 4.042 6.482 ( -13.224 0.000 0.000) 13.224 7.596 ( -0.548 0.000 0.000) 0.548 9.069 ( -22.549 0.000 0.000) 22.549 9.595 ( 3.775 0.000 0.000) 3.775 9.724 ( -0.929 0.000 0.000) 0.929 10.296 ( 0.375 0.000 0.000) 0.375 10.420 ( -0.297 0.000 0.000) 0.297 10.465 ( 19.047 0.000 0.000) 19.047 12.252 ( 1.717 0.000 0.000) 1.717 ======================= Grid point 2 (3/288) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( 34.098 0.000 0.000) 34.098 1.584 ( 36.030 0.000 0.000) 36.030 1.806 ( 43.030 0.000 0.000) 43.030 2.037 ( 14.794 0.000 0.000) 14.794 4.609 ( -18.722 0.000 0.000) 18.722 4.902 ( 3.373 0.000 0.000) 3.373 5.622 ( -3.143 0.000 0.000) 3.143 5.873 ( 2.323 0.000 0.000) 2.323 5.954 ( 3.916 0.000 0.000) 3.916 6.116 ( -24.447 0.000 0.000) 24.447 7.583 ( -0.626 0.000 0.000) 0.626 8.626 ( -22.858 0.000 0.000) 22.858 9.636 ( 1.171 0.000 0.000) 1.171 9.701 ( -1.410 0.000 0.000) 1.410 10.307 ( 0.698 0.000 0.000) 0.698 10.412 ( -0.571 0.000 0.000) 0.571 10.879 ( 22.835 0.000 0.000) 22.835 12.287 ( 1.389 0.000 0.000) 1.389 ======================= Grid point 3 (4/288) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.968 ( 33.147 0.000 0.000) 33.147 2.182 ( 25.759 0.000 0.000) 25.759 2.266 ( 14.433 0.000 0.000) 14.433 2.678 ( 41.915 0.000 0.000) 41.915 4.203 ( -23.395 0.000 0.000) 23.395 4.984 ( 5.277 0.000 0.000) 5.277 5.539 ( -5.555 0.000 0.000) 5.555 5.569 ( -32.128 0.000 0.000) 32.128 5.923 ( 2.787 0.000 0.000) 2.787 6.013 ( 2.060 0.000 0.000) 2.060 7.578 ( 0.216 0.000 0.000) 0.216 8.218 ( -19.364 0.000 0.000) 19.364 9.649 ( 0.311 0.000 0.000) 0.311 9.675 ( -1.241 0.000 0.000) 1.241 10.322 ( 0.930 0.000 0.000) 0.930 10.399 ( -0.803 0.000 0.000) 0.803 11.311 ( 21.796 0.000 0.000) 21.796 12.287 ( -1.820 0.000 0.000) 1.820 ======================= Grid point 4 (5/288) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.514 ( 10.794 0.000 0.000) 10.794 2.547 ( 12.026 0.000 0.000) 12.026 2.590 ( 31.685 0.000 0.000) 31.685 3.460 ( 39.670 0.000 0.000) 39.670 3.720 ( -26.908 0.000 0.000) 26.908 4.910 ( -36.079 0.000 0.000) 36.079 5.105 ( 7.221 0.000 0.000) 7.221 5.411 ( -7.622 0.000 0.000) 7.622 5.976 ( 2.556 0.000 0.000) 2.556 6.032 ( 0.029 0.000 0.000) 0.029 7.602 ( 2.717 0.000 0.000) 2.717 7.899 ( -13.711 0.000 0.000) 13.711 9.651 ( -0.065 0.000 0.000) 0.065 9.656 ( -0.631 0.000 0.000) 0.631 10.342 ( 1.052 0.000 0.000) 1.052 10.382 ( -0.973 0.000 0.000) 0.973 11.699 ( 18.450 0.000 0.000) 18.450 12.203 ( -7.239 0.000 0.000) 7.239 ======================= Grid point 5 (6/288) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.642 ( -1.664 0.000 0.000) 1.664 2.642 ( 1.664 0.000 0.000) 1.664 3.178 ( -29.631 0.000 0.000) 29.631 3.178 ( 29.631 0.000 0.000) 29.631 4.201 ( -37.879 0.000 0.000) 37.879 4.201 ( 37.879 0.000 0.000) 37.879 5.256 ( -8.308 0.000 0.000) 8.308 5.256 ( 8.308 0.000 0.000) 8.308 6.017 ( -1.590 0.000 0.000) 1.590 6.017 ( 1.590 0.000 0.000) 1.590 7.697 ( -7.488 0.000 0.000) 7.488 7.697 ( 7.488 0.000 0.000) 7.488 9.650 ( -0.067 0.000 0.000) 0.067 9.650 ( 0.067 0.000 0.000) 0.067 10.362 ( -1.062 0.000 0.000) 1.062 10.362 ( 1.062 0.000 0.000) 1.062 12.006 ( -13.297 0.000 0.000) 13.297 12.006 ( 13.297 0.000 0.000) 13.297 ======================= Grid point 11 (7/288) ======================= q-point: ( 0.00 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.666 ( 0.000 34.697 0.000) 34.697 0.828 ( 0.000 41.982 0.000) 41.982 0.880 ( 0.000 45.363 0.000) 45.363 1.838 ( 0.000 8.159 0.000) 8.159 4.846 ( 0.000 1.414 0.000) 1.414 4.904 ( 0.000 -11.692 0.000) 11.692 5.665 ( 0.000 -1.445 0.000) 1.445 5.841 ( 0.000 1.298 0.000) 1.298 5.871 ( 0.000 4.107 0.000) 4.107 6.487 ( 0.000 -12.684 0.000) 12.684 7.598 ( 0.000 -0.368 0.000) 0.368 9.042 ( 0.000 -23.579 0.000) 23.579 9.610 ( 0.000 3.940 0.000) 3.940 9.717 ( 0.000 -1.110 0.000) 1.110 10.296 ( 0.000 0.375 0.000) 0.375 10.420 ( 0.000 -0.289 0.000) 0.289 10.490 ( 0.000 20.906 0.000) 20.906 12.239 ( 0.000 0.123 0.000) 0.123 ======================= Grid point 12 (8/288) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.423 ( 11.856 10.065 0.000) 15.552 0.933 ( 23.788 23.891 0.000) 33.714 1.644 ( 40.949 37.483 0.000) 55.514 1.910 ( 7.691 9.347 0.000) 12.105 4.793 ( -2.243 -2.738 0.000) 3.539 4.805 ( -10.010 -10.080 0.000) 14.205 5.651 ( -2.102 -2.121 0.000) 2.986 5.836 ( 0.438 0.540 0.000) 0.695 5.917 ( 3.470 3.423 0.000) 4.875 6.375 ( -11.618 -11.072 0.000) 16.049 7.585 ( -1.349 -1.130 0.000) 1.760 8.818 ( -17.727 -19.288 0.000) 26.197 9.538 ( 4.684 5.494 0.000) 7.220 10.200 ( 14.989 7.332 0.000) 16.686 10.300 ( 0.363 0.363 0.000) 0.513 10.343 ( 0.120 9.178 0.000) 9.179 10.418 ( -0.276 -0.268 0.000) 0.385 12.238 ( 0.431 -0.991 0.000) 1.081 ======================= Grid point 13 (9/288) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( 39.409 -27.762 0.000) 48.206 1.460 ( 29.777 13.564 0.000) 32.720 2.086 ( 12.121 5.631 0.000) 13.365 2.410 ( 36.302 35.073 0.000) 50.477 4.540 ( -17.148 -7.084 0.000) 18.553 4.787 ( 1.421 -9.578 0.000) 9.683 5.572 ( -6.669 -5.882 0.000) 8.892 5.861 ( 2.022 -0.672 0.000) 2.131 5.982 ( 3.005 2.173 0.000) 3.708 6.050 ( -21.744 -7.234 0.000) 22.916 7.552 ( -1.730 -3.124 0.000) 3.571 8.497 ( -14.888 -9.322 0.000) 17.565 9.631 ( 3.786 4.243 0.000) 5.687 10.046 ( -10.953 25.039 0.000) 27.330 10.310 ( 0.674 0.327 0.000) 0.749 10.410 ( -0.533 -0.209 0.000) 0.573 10.762 ( 24.489 -11.253 0.000) 26.950 12.249 ( 0.244 -3.515 0.000) 3.523 ======================= Grid point 14 (10/288) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( 36.357 -27.548 0.000) 45.615 2.043 ( 30.729 7.688 0.000) 31.676 2.332 ( 13.064 4.830 0.000) 13.928 3.034 ( 28.688 25.081 0.000) 38.106 4.162 ( -22.062 -4.281 0.000) 22.474 4.845 ( 4.655 -13.266 0.000) 14.059 5.332 ( -21.928 -14.859 0.000) 26.488 5.625 ( -18.275 -1.582 0.000) 18.344 5.908 ( 2.782 -1.205 0.000) 3.031 6.024 ( 1.337 0.868 0.000) 1.594 7.543 ( 1.489 -2.307 0.000) 2.746 8.246 ( -11.928 3.410 0.000) 12.406 9.676 ( 1.130 4.094 0.000) 4.247 9.864 ( -7.889 16.108 0.000) 17.936 10.325 ( 0.895 0.267 0.000) 0.934 10.398 ( -0.754 -0.121 0.000) 0.763 11.210 ( 22.211 -10.148 0.000) 24.420 12.228 ( -2.844 -5.838 0.000) 6.494 ======================= Grid point 15 (11/288) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.372 ( 23.594 -15.581 0.000) 28.275 2.555 ( 9.139 3.145 0.000) 9.665 2.627 ( 30.006 3.817 0.000) 30.248 3.537 ( 25.706 6.713 0.000) 26.568 3.704 ( -25.651 -1.730 0.000) 25.709 4.739 ( -33.374 -17.111 0.000) 37.504 4.985 ( 7.166 -11.367 0.000) 13.438 5.368 ( -11.143 -5.499 0.000) 12.426 5.962 ( 2.734 -1.215 0.000) 2.992 6.032 ( -0.485 -0.154 0.000) 0.509 7.624 ( 6.996 3.884 0.000) 8.002 8.021 ( -11.757 11.310 0.000) 16.314 9.686 ( 0.210 3.698 0.000) 3.703 9.748 ( -4.237 8.499 0.000) 9.496 10.343 ( 1.006 0.186 0.000) 1.023 10.381 ( -0.919 -0.017 0.000) 0.919 11.605 ( 18.733 -9.651 0.000) 21.073 12.127 ( -8.012 -7.701 0.000) 11.113 ======================= Grid point 16 (12/288) ======================= q-point: (-0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.628 ( -3.338 -1.740 0.000) 3.765 2.628 ( 3.338 -1.740 0.000) 3.765 3.186 ( -28.273 0.853 0.000) 28.285 3.186 ( 28.273 0.853 0.000) 28.285 4.088 ( -32.349 -11.210 0.000) 34.236 4.088 ( 32.349 -11.210 0.000) 34.236 5.163 ( -10.330 -9.307 0.000) 13.904 5.163 ( 10.330 -9.307 0.000) 13.904 6.008 ( -1.929 -0.850 0.000) 2.108 6.008 ( 1.929 -0.850 0.000) 2.108 7.800 ( -10.925 10.559 0.000) 15.194 7.800 ( 10.925 10.559 0.000) 15.194 9.697 ( -1.325 4.539 0.000) 4.728 9.697 ( 1.325 4.539 0.000) 4.728 10.363 ( -1.010 0.089 0.000) 1.013 10.363 ( 1.010 0.089 0.000) 1.013 11.918 ( -13.773 -8.951 0.000) 16.426 11.918 ( 13.773 -8.951 0.000) 16.426 ======================= Grid point 22 (13/288) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( 0.000 34.126 0.000) 34.126 1.581 ( 0.000 36.013 0.000) 36.013 1.708 ( 0.000 39.003 0.000) 39.003 2.081 ( 0.000 18.855 0.000) 18.855 4.607 ( 0.000 -18.771 0.000) 18.771 4.888 ( 0.000 3.098 0.000) 3.098 5.621 ( 0.000 -3.277 0.000) 3.277 5.876 ( 0.000 2.300 0.000) 2.300 5.954 ( 0.000 3.971 0.000) 3.971 6.136 ( 0.000 -23.566 0.000) 23.566 7.589 ( 0.000 -0.489 0.000) 0.489 8.592 ( 0.000 -22.643 0.000) 22.643 9.650 ( 0.000 0.973 0.000) 0.973 9.689 ( 0.000 -1.626 0.000) 1.626 10.307 ( 0.000 0.700 0.000) 0.700 10.412 ( 0.000 -0.562 0.000) 0.562 10.932 ( 0.000 23.607 0.000) 23.607 12.236 ( 0.000 -0.570 0.000) 0.570 ======================= Grid point 23 (14/288) ======================= q-point: ( 0.10 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( -26.082 41.155 0.000) 48.724 1.462 ( 13.488 29.826 0.000) 32.734 2.051 ( 9.337 12.804 0.000) 15.846 2.405 ( 32.284 33.706 0.000) 46.673 4.539 ( -7.025 -17.208 0.000) 18.586 4.779 ( -9.122 1.064 0.000) 9.184 5.568 ( -5.929 -6.939 0.000) 9.127 5.862 ( -0.744 2.051 0.000) 2.182 5.982 ( 2.201 3.019 0.000) 3.736 6.066 ( -7.677 -20.651 0.000) 22.032 7.557 ( -3.240 -1.453 0.000) 3.550 8.477 ( -8.319 -15.618 0.000) 17.696 9.640 ( 3.922 4.025 0.000) 5.620 10.019 ( 23.701 -10.814 0.000) 26.051 10.310 ( 0.326 0.676 0.000) 0.751 10.410 ( -0.217 -0.523 0.000) 0.566 10.813 ( -11.381 25.208 0.000) 27.658 12.215 ( -2.000 -1.647 0.000) 2.590 ======================= Grid point 24 (15/288) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 416 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( 9.189 12.538 0.000) 15.545 1.804 ( 21.366 21.428 0.000) 30.260 2.240 ( 11.097 10.263 0.000) 15.115 3.024 ( 29.791 27.914 0.000) 40.826 4.343 ( -13.277 -13.346 0.000) 18.825 4.614 ( -7.030 -7.427 0.000) 10.226 5.376 ( -14.811 -15.022 0.000) 21.096 5.830 ( -16.644 -15.513 0.000) 22.753 5.861 ( 0.761 0.808 0.000) 1.110 6.020 ( 1.527 1.531 0.000) 2.162 7.498 ( -1.274 -1.008 0.000) 1.625 8.371 ( -2.386 -3.562 0.000) 4.288 9.724 ( 3.585 4.147 0.000) 5.482 10.319 ( 0.602 0.604 0.000) 0.853 10.404 ( -0.424 -0.414 0.000) 0.593 10.462 ( 11.269 -6.162 0.000) 12.843 10.570 ( -2.868 15.513 0.000) 15.776 12.165 ( -3.313 -5.158 0.000) 6.130 ======================= Grid point 25 (16/288) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( 34.299 -17.614 0.000) 38.558 2.250 ( 24.644 13.553 0.000) 28.125 2.466 ( 11.832 9.111 0.000) 14.933 3.481 ( 16.634 20.322 0.000) 26.262 4.039 ( -18.259 -8.609 0.000) 20.187 4.539 ( -0.488 -17.369 0.000) 17.376 4.970 ( -27.179 -23.135 0.000) 35.692 5.488 ( -17.264 -12.078 0.000) 21.070 5.890 ( 2.102 -0.516 0.000) 2.164 6.035 ( 0.075 0.142 0.000) 0.160 7.560 ( 8.200 5.580 0.000) 9.918 8.351 ( -1.065 7.092 0.000) 7.171 9.763 ( 0.571 3.975 0.000) 4.016 10.214 ( -15.903 18.385 0.000) 24.309 10.332 ( 0.790 0.487 0.000) 0.927 10.394 ( -0.612 -0.251 0.000) 0.661 10.952 ( 22.204 -15.419 0.000) 27.033 12.078 ( -6.062 -9.497 0.000) 11.267 ======================= Grid point 26 (17/288) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 416 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( 35.801 -20.524 0.000) 41.266 2.650 ( 5.502 6.719 0.000) 8.684 2.732 ( 25.290 6.998 0.000) 26.241 3.652 ( -21.900 -3.698 0.000) 22.210 3.661 ( 4.466 4.877 0.000) 6.613 4.303 ( -30.490 -26.926 0.000) 40.677 4.704 ( 7.939 -17.060 0.000) 18.817 5.188 ( -14.406 -12.783 0.000) 19.259 5.937 ( 2.651 -1.290 0.000) 2.948 6.023 ( -1.363 -0.882 0.000) 1.624 7.792 ( 14.927 13.824 0.000) 20.346 8.285 ( -6.742 15.402 0.000) 16.813 9.764 ( 0.189 3.686 0.000) 3.691 9.947 ( -11.270 11.086 0.000) 15.809 10.348 ( 0.873 0.329 0.000) 0.933 10.381 ( -0.763 -0.058 0.000) 0.766 11.350 ( 19.193 -16.051 0.000) 25.020 11.923 ( -10.327 -13.089 0.000) 16.673 ======================= Grid point 27 (18/288) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.559 ( -17.896 -6.136 0.000) 18.918 2.559 ( 17.896 -6.136 0.000) 18.918 3.208 ( -24.262 1.397 0.000) 24.302 3.208 ( 24.262 1.397 0.000) 24.302 3.814 ( -16.104 -15.793 0.000) 22.556 3.814 ( 16.104 -15.793 0.000) 22.556 4.925 ( -13.125 -14.664 0.000) 19.681 4.925 ( 13.125 -14.664 0.000) 19.681 5.986 ( -2.359 -1.392 0.000) 2.739 5.986 ( 2.359 -1.392 0.000) 2.739 8.082 ( -13.959 18.221 0.000) 22.953 8.082 ( 13.959 18.221 0.000) 22.953 9.799 ( -4.264 5.318 0.000) 6.817 9.799 ( 4.264 5.318 0.000) 6.817 10.365 ( -0.858 0.143 0.000) 0.870 10.365 ( 0.858 0.143 0.000) 0.870 11.680 ( -15.057 -15.294 0.000) 21.461 11.680 ( 15.057 -15.294 0.000) 21.461 ======================= Grid point 33 (19/288) ======================= q-point: ( 0.00 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( 0.000 33.125 0.000) 33.125 2.179 ( 0.000 25.759 0.000) 25.759 2.225 ( 0.000 17.813 0.000) 17.813 2.680 ( 0.000 40.042 0.000) 40.042 4.201 ( 0.000 -23.403 0.000) 23.403 4.968 ( 0.000 5.284 0.000) 5.284 5.537 ( 0.000 -5.514 0.000) 5.514 5.605 ( 0.000 -31.428 0.000) 31.428 5.925 ( 0.000 2.763 0.000) 2.763 6.013 ( 0.000 2.096 0.000) 2.096 7.584 ( 0.000 0.171 0.000) 0.171 8.194 ( 0.000 -18.604 0.000) 18.604 9.658 ( 0.000 -0.039 0.000) 0.039 9.660 ( 0.000 -1.295 0.000) 1.295 10.323 ( 0.000 0.936 0.000) 0.936 10.399 ( 0.000 -0.797 0.000) 0.797 11.360 ( 0.000 20.662 0.000) 20.662 12.208 ( 0.000 -2.615 0.000) 2.615 ======================= Grid point 34 (20/288) ======================= q-point: ( 0.10 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( -24.565 38.122 0.000) 45.351 2.045 ( 7.643 30.720 0.000) 31.657 2.310 ( 5.960 13.890 0.000) 15.115 2.994 ( 23.448 27.689 0.000) 36.284 4.160 ( -4.242 -22.080 0.000) 22.484 4.830 ( -13.211 4.256 0.000) 13.879 5.336 ( -14.641 -19.962 0.000) 24.755 5.651 ( -1.957 -19.253 0.000) 19.353 5.910 ( -1.240 2.780 0.000) 3.044 6.024 ( 0.877 1.358 0.000) 1.617 7.550 ( -2.573 1.265 0.000) 2.867 8.216 ( 3.164 -12.166 0.000) 12.571 9.687 ( 4.351 1.096 0.000) 4.487 9.843 ( 15.301 -7.422 0.000) 17.006 10.325 ( 0.266 0.900 0.000) 0.939 10.398 ( -0.128 -0.747 0.000) 0.758 11.259 ( -10.156 21.245 0.000) 23.548 12.166 ( -4.308 -3.693 0.000) 5.675 ======================= Grid point 35 (21/288) ======================= q-point: ( 0.20 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( -18.324 37.805 0.000) 42.012 2.251 ( 13.505 24.657 0.000) 28.113 2.465 ( 9.998 12.680 0.000) 16.147 3.439 ( 21.557 14.628 0.000) 26.052 4.038 ( -8.553 -18.296 0.000) 20.197 4.523 ( -17.353 -2.232 0.000) 17.496 4.987 ( -22.557 -24.756 0.000) 33.492 5.498 ( -13.217 -17.828 0.000) 22.193 5.891 ( -0.553 2.123 0.000) 2.194 6.036 ( 0.136 0.088 0.000) 0.162 7.557 ( 5.163 7.552 0.000) 9.148 8.328 ( 7.976 -2.261 0.000) 8.290 9.773 ( 3.653 1.040 0.000) 3.798 10.180 ( 18.034 -14.985 0.000) 23.447 10.332 ( 0.484 0.794 0.000) 0.930 10.394 ( -0.261 -0.604 0.000) 0.658 10.999 ( -15.771 21.672 0.000) 26.803 12.050 ( -7.676 -7.010 0.000) 10.395 ======================= Grid point 36 (22/288) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( 8.049 14.295 0.000) 16.405 2.546 ( 16.986 17.005 0.000) 24.035 2.676 ( 11.236 12.458 0.000) 16.776 3.740 ( 5.310 2.659 0.000) 5.939 3.834 ( -12.599 -12.644 0.000) 17.849 4.228 ( -11.111 -14.240 0.000) 18.062 4.481 ( -27.168 -23.918 0.000) 36.196 5.206 ( -15.891 -16.212 0.000) 22.701 5.892 ( 0.764 0.792 0.000) 1.100 6.027 ( -0.997 -0.985 0.000) 1.401 7.768 ( 16.249 15.474 0.000) 22.438 8.489 ( 7.867 6.418 0.000) 10.153 9.811 ( 0.375 1.071 0.000) 1.135 10.343 ( 0.620 0.624 0.000) 0.880 10.388 ( -0.397 -0.389 0.000) 0.556 10.391 ( -4.049 -7.749 0.000) 8.743 10.794 ( 2.826 7.182 0.000) 7.718 11.875 ( -10.549 -11.562 0.000) 15.651 ======================= Grid point 37 (23/288) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( 32.314 -11.194 0.000) 34.198 2.809 ( -3.306 9.434 0.000) 9.997 2.887 ( 18.307 9.095 0.000) 20.441 3.547 ( -15.188 -25.198 0.000) 29.421 3.560 ( -15.833 -5.896 0.000) 16.895 3.887 ( -21.648 -8.387 0.000) 23.216 4.382 ( 11.388 -14.554 0.000) 18.480 4.911 ( -14.828 -15.328 0.000) 21.326 5.918 ( 1.834 -0.566 0.000) 1.919 5.999 ( -1.899 -1.544 0.000) 2.447 8.133 ( 20.228 20.870 0.000) 29.065 8.584 ( 0.687 15.131 0.000) 15.147 9.808 ( 0.300 0.732 0.000) 0.791 10.118 ( -16.738 4.885 0.000) 17.436 10.356 ( 0.663 0.401 0.000) 0.775 10.379 ( -0.526 -0.131 0.000) 0.542 11.045 ( 16.902 -13.476 0.000) 21.616 11.646 ( -13.386 -15.347 0.000) 20.365 ======================= Grid point 38 (24/288) ======================= q-point: (-0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.368 ( -36.133 -13.977 0.000) 38.742 2.368 ( 36.133 -13.977 0.000) 38.742 3.236 ( -17.828 1.417 0.000) 17.885 3.236 ( 17.828 1.417 0.000) 17.885 3.552 ( -12.612 -10.168 0.000) 16.200 3.552 ( 12.612 -10.168 0.000) 16.200 4.636 ( -14.033 -14.736 0.000) 20.349 4.636 ( 14.033 -14.736 0.000) 20.349 5.958 ( -2.233 -1.414 0.000) 2.643 5.958 ( 2.233 -1.414 0.000) 2.643 8.469 ( -12.930 21.466 0.000) 25.060 8.469 ( 12.930 21.466 0.000) 25.060 9.873 ( -7.796 1.749 0.000) 7.990 9.873 ( 7.796 1.749 0.000) 7.990 10.368 ( -0.623 0.142 0.000) 0.639 10.368 ( 0.623 0.142 0.000) 0.639 11.364 ( -15.915 -16.630 0.000) 23.018 11.364 ( 15.915 -16.630 0.000) 23.018 ======================= Grid point 44 (25/288) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.506 ( 0.000 11.556 0.000) 11.556 2.545 ( 0.000 12.068 0.000) 12.068 2.590 ( 0.000 31.629 0.000) 31.629 3.462 ( 0.000 40.796 0.000) 40.796 3.718 ( 0.000 -26.875 0.000) 26.875 4.952 ( 0.000 -36.261 0.000) 36.261 5.092 ( 0.000 7.589 0.000) 7.589 5.410 ( 0.000 -7.664 0.000) 7.664 5.977 ( 0.000 2.534 0.000) 2.534 6.033 ( 0.000 0.053 0.000) 0.053 7.606 ( 0.000 2.546 0.000) 2.546 7.889 ( 0.000 -13.090 0.000) 13.090 9.643 ( 0.000 -0.424 0.000) 0.424 9.652 ( 0.000 -0.502 0.000) 0.502 10.342 ( 0.000 1.061 0.000) 1.061 10.382 ( 0.000 -0.974 0.000) 0.974 11.711 ( 0.000 15.924 0.000) 15.924 12.127 ( 0.000 -6.121 0.000) 6.121 ======================= Grid point 45 (26/288) ======================= q-point: ( 0.10 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.429 ( -11.503 22.696 0.000) 25.445 2.553 ( 4.699 10.444 0.000) 11.452 2.627 ( 3.796 29.961 0.000) 30.200 3.506 ( 4.213 27.834 0.000) 28.151 3.702 ( -1.711 -25.627 0.000) 25.684 4.766 ( -18.726 -30.937 0.000) 36.163 4.976 ( -10.461 5.254 0.000) 11.706 5.370 ( -5.775 -12.178 0.000) 13.478 5.964 ( -1.230 2.722 0.000) 2.987 6.033 ( -0.154 -0.467 0.000) 0.491 7.621 ( 2.966 6.279 0.000) 6.944 7.993 ( 9.995 -11.424 0.000) 15.179 9.694 ( 4.320 -0.071 0.000) 4.321 9.738 ( 8.564 -3.634 0.000) 9.303 10.344 ( 0.184 1.014 0.000) 1.031 10.382 ( -0.023 -0.919 0.000) 0.920 11.621 ( -9.247 16.477 0.000) 18.894 12.065 ( -6.379 -7.076 0.000) 9.527 ======================= Grid point 46 (27/288) ======================= q-point: ( 0.20 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 416 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( -18.832 36.835 0.000) 41.370 2.685 ( 8.882 8.399 0.000) 12.224 2.732 ( 6.975 25.267 0.000) 26.212 3.600 ( 4.519 4.686 0.000) 6.510 3.651 ( -3.666 -21.896 0.000) 22.201 4.298 ( -28.590 -27.910 0.000) 39.955 4.711 ( -16.668 4.175 0.000) 17.183 5.176 ( -13.504 -15.639 0.000) 20.662 5.938 ( -1.311 2.653 0.000) 2.959 6.023 ( -0.889 -1.349 0.000) 1.616 7.770 ( 13.084 13.723 0.000) 18.961 8.243 ( 15.435 -7.370 0.000) 17.104 9.780 ( 3.846 0.273 0.000) 3.855 9.936 ( 10.988 -9.889 0.000) 14.783 10.349 ( 0.325 0.879 0.000) 0.938 10.381 ( -0.066 -0.762 0.000) 0.765 11.375 ( -15.668 17.550 0.000) 23.526 11.891 ( -11.497 -9.760 0.000) 15.081 ======================= Grid point 47 (28/288) ======================= q-point: ( 0.30 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( -14.897 36.046 0.000) 39.003 2.887 ( 11.828 5.937 0.000) 13.234 2.887 ( 9.374 17.007 0.000) 19.419 3.492 ( -26.979 -20.322 0.000) 33.776 3.560 ( -5.863 -15.848 0.000) 16.898 3.846 ( -8.267 -22.333 0.000) 23.814 4.388 ( -14.823 9.114 0.000) 17.401 4.898 ( -14.790 -15.608 0.000) 21.502 5.919 ( -0.589 1.846 0.000) 1.937 5.999 ( -1.556 -1.887 0.000) 2.446 8.110 ( 21.545 18.821 0.000) 28.608 8.555 ( 16.353 -0.712 0.000) 16.369 9.821 ( 0.266 0.834 0.000) 0.875 10.108 ( 5.248 -15.538 0.000) 16.400 10.356 ( 0.396 0.667 0.000) 0.776 10.379 ( -0.138 -0.522 0.000) 0.540 11.069 ( -14.230 16.379 0.000) 21.697 11.638 ( -14.460 -13.159 0.000) 19.551 ======================= Grid point 48 (29/288) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 416 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( 7.365 12.966 0.000) 14.912 2.782 ( -39.959 -28.840 0.000) 49.279 3.071 ( 9.914 9.911 0.000) 14.018 3.147 ( 14.342 5.298 0.000) 15.290 3.427 ( -7.966 -7.986 0.000) 11.280 3.714 ( -11.580 -14.005 0.000) 18.173 4.255 ( 2.089 2.069 0.000) 2.940 4.626 ( -13.382 -14.044 0.000) 19.399 5.917 ( 0.470 0.485 0.000) 0.675 5.966 ( -1.766 -1.755 0.000) 2.489 8.545 ( 22.190 20.693 0.000) 30.341 8.826 ( 10.309 8.691 0.000) 13.484 9.802 ( -1.131 -0.330 0.000) 1.179 10.062 ( -10.143 -10.235 0.000) 14.410 10.363 ( 0.392 0.395 0.000) 0.556 10.376 ( -0.233 -0.229 0.000) 0.327 10.936 ( 1.897 2.905 0.000) 3.469 11.353 ( -14.853 -14.794 0.000) 20.964 ======================= Grid point 49 (30/288) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.072 ( -31.451 -14.391 0.000) 34.588 2.072 ( 31.452 -14.391 0.000) 34.588 3.259 ( -9.464 0.887 0.000) 9.505 3.259 ( 9.464 0.887 0.000) 9.505 3.438 ( -15.608 -2.445 0.000) 15.799 3.438 ( 15.608 -2.445 0.000) 15.799 4.394 ( -10.513 -9.697 0.000) 14.302 4.394 ( 10.513 -9.697 0.000) 14.302 5.935 ( -1.372 -0.886 0.000) 1.633 5.935 ( 1.372 -0.886 0.000) 1.633 8.864 ( -8.204 18.273 0.000) 20.030 8.864 ( 8.204 18.273 0.000) 20.030 9.850 ( -7.911 -3.988 0.000) 8.860 9.850 ( 7.911 -3.988 0.000) 8.860 10.370 ( -0.327 0.087 0.000) 0.339 10.370 ( 0.327 0.087 0.000) 0.339 11.089 ( -12.075 -10.877 0.000) 16.251 11.089 ( 12.075 -10.877 0.000) 16.251 ======================= Grid point 55 (31/288) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.640 ( 0.000 -1.678 0.000) 1.678 2.640 ( 0.000 1.678 0.000) 1.678 3.177 ( 0.000 -29.572 0.000) 29.572 3.177 ( 0.000 29.572 0.000) 29.572 4.229 ( 0.000 -39.107 0.000) 39.107 4.229 ( 0.000 39.107 0.000) 39.107 5.251 ( 0.000 -8.672 0.000) 8.672 5.251 ( 0.000 8.672 0.000) 8.672 6.018 ( 0.000 -1.570 0.000) 1.570 6.018 ( 0.000 1.570 0.000) 1.570 7.696 ( 0.000 -7.173 0.000) 7.173 7.696 ( 0.000 7.173 0.000) 7.173 9.643 ( 0.000 -0.334 0.000) 0.334 9.643 ( 0.000 0.334 0.000) 0.334 10.362 ( 0.000 -1.069 0.000) 1.069 10.362 ( 0.000 1.069 0.000) 1.069 11.967 ( 0.000 -10.774 0.000) 10.774 11.967 ( 0.000 10.774 0.000) 10.774 ======================= Grid point 57 (32/288) ======================= q-point: ( 0.10 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.654 ( 1.131 -1.697 0.000) 2.039 2.654 ( 1.131 1.697 0.000) 2.039 3.185 ( 0.853 -28.223 0.000) 28.236 3.185 ( 0.853 28.223 0.000) 28.236 4.107 ( -12.358 -34.455 0.000) 36.604 4.107 ( -12.358 34.455 0.000) 36.604 5.150 ( -10.018 -10.761 0.000) 14.702 5.150 ( -10.018 10.761 0.000) 14.702 6.009 ( -0.854 -1.913 0.000) 2.095 6.009 ( -0.854 1.913 0.000) 2.095 7.782 ( 9.066 -10.175 0.000) 13.628 7.782 ( 9.066 10.175 0.000) 13.628 9.698 ( 5.158 -0.816 0.000) 5.222 9.698 ( 5.158 0.816 0.000) 5.222 10.363 ( 0.085 -1.016 0.000) 1.020 10.363 ( 0.085 1.016 0.000) 1.020 11.888 ( -8.043 -11.518 0.000) 14.048 11.888 ( -8.043 11.518 0.000) 14.048 ======================= Grid point 59 (33/288) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.659 ( -1.765 -14.788 0.000) 14.893 2.659 ( -1.765 14.788 0.000) 14.893 3.208 ( 1.401 -24.233 0.000) 24.274 3.208 ( 1.401 24.233 0.000) 24.274 3.789 ( -19.199 -19.311 0.000) 27.231 3.789 ( -19.199 19.311 0.000) 27.231 4.901 ( -14.916 -12.924 0.000) 19.736 4.901 ( -14.916 12.924 0.000) 19.736 5.987 ( -1.403 -2.349 0.000) 2.736 5.987 ( -1.403 2.349 0.000) 2.736 8.040 ( 17.461 -13.320 0.000) 21.962 8.040 ( 17.461 13.320 0.000) 21.962 9.810 ( 5.676 -3.561 0.000) 6.701 9.810 ( 5.676 3.561 0.000) 6.701 10.365 ( 0.136 -0.862 0.000) 0.873 10.365 ( 0.136 0.862 0.000) 0.873 11.671 ( -14.214 -13.383 0.000) 19.523 11.671 ( -14.214 13.383 0.000) 19.523 ======================= Grid point 61 (34/288) ======================= q-point: ( 0.30 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.512 ( -15.270 -37.061 0.000) 40.083 2.512 ( -15.270 37.061 0.000) 40.084 3.236 ( 1.429 -17.821 0.000) 17.878 3.236 ( 1.429 17.821 0.000) 17.878 3.479 ( -10.229 -15.088 0.000) 18.229 3.479 ( -10.229 15.088 0.000) 18.229 4.617 ( -14.039 -13.622 0.000) 19.561 4.617 ( -14.039 13.622 0.000) 19.561 5.959 ( -1.430 -2.230 0.000) 2.649 5.959 ( -1.430 2.230 0.000) 2.649 8.427 ( 22.159 -12.687 0.000) 25.534 8.427 ( 22.159 12.687 0.000) 25.534 9.886 ( 1.647 -7.085 0.000) 7.273 9.886 ( 1.647 7.085 0.000) 7.274 10.368 ( 0.136 -0.625 0.000) 0.639 10.368 ( 0.136 0.625 0.000) 0.639 11.370 ( -16.237 -14.918 0.000) 22.050 11.370 ( -16.237 14.918 0.000) 22.050 ======================= Grid point 63 (35/288) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( -19.824 -31.936 0.000) 37.589 2.134 ( -19.824 31.936 0.000) 37.589 3.259 ( 0.898 -9.465 0.000) 9.508 3.259 ( 0.898 9.465 0.000) 9.508 3.406 ( 0.479 -16.480 0.000) 16.487 3.406 ( 0.479 16.480 0.000) 16.487 4.389 ( -9.127 -10.367 0.000) 13.812 4.389 ( -9.127 10.367 0.000) 13.812 5.936 ( -0.898 -1.372 0.000) 1.640 5.936 ( -0.898 1.372 0.000) 1.640 8.844 ( 19.733 -8.161 0.000) 21.354 8.844 ( 19.733 8.161 0.000) 21.354 9.858 ( -4.426 -7.637 0.000) 8.827 9.858 ( -4.426 7.637 0.000) 8.827 10.370 ( 0.084 -0.328 0.000) 0.338 10.370 ( 0.084 0.328 0.000) 0.338 11.094 ( -11.226 -11.823 0.000) 16.304 11.094 ( -11.226 11.823 0.000) 16.304 ======================= Grid point 65 (36/288) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( 0.000 0.000 0.000) 0.000 1.917 ( 0.000 0.000 0.000) 0.000 3.268 ( 0.000 0.000 0.000) 0.000 3.268 ( 0.000 0.000 0.000) 0.000 3.421 ( 0.000 0.000 0.000) 0.000 3.421 ( 0.000 0.000 0.000) 0.000 4.295 ( -0.000 -0.000 0.000) 0.000 4.295 ( 0.000 0.000 0.000) 0.000 5.927 ( 0.000 0.000 0.000) 0.000 5.927 ( 0.000 0.000 0.000) 0.000 9.070 ( -0.000 -0.000 0.000) 0.000 9.070 ( 0.000 0.000 0.000) 0.000 9.784 ( 0.000 0.000 0.000) 0.000 9.784 ( 0.000 0.000 0.000) 0.000 10.371 ( 0.000 0.000 0.000) 0.000 10.371 ( 0.000 0.000 0.000) 0.000 10.982 ( 0.000 0.000 0.000) 0.000 10.982 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 121 (37/288) ======================= q-point: ( 0.00 0.00 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( 0.000 0.000 34.957) 34.957 0.680 ( 0.000 0.000 34.965) 34.965 1.298 ( 0.000 0.000 65.461) 65.461 1.865 ( 0.000 0.000 10.428) 10.428 4.719 ( 0.000 0.000 -10.187) 10.187 4.725 ( 0.000 0.000 -10.199) 10.199 5.220 ( 0.000 0.000 19.282) 19.282 5.941 ( 0.000 0.000 10.399) 10.399 5.944 ( 0.000 0.000 10.397) 10.397 6.560 ( 0.000 0.000 -5.034) 5.034 7.608 ( 0.000 0.000 0.653) 0.653 9.368 ( 0.000 0.000 -5.276) 5.276 9.370 ( 0.000 0.000 -5.267) 5.267 9.406 ( 0.000 0.000 -4.920) 4.920 10.235 ( 0.000 0.000 -1.600) 1.600 10.236 ( 0.000 0.000 -1.618) 1.618 10.459 ( 0.000 0.000 3.603) 3.603 12.844 ( 0.000 0.000 1.714) 1.714 ======================= Grid point 122 (38/288) ======================= q-point: ( 0.10 0.00 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( 18.247 0.000 23.127) 29.459 1.066 ( 32.004 0.000 21.613) 38.618 1.648 ( 29.138 0.000 51.936) 59.552 1.934 ( 7.969 0.000 10.948) 13.541 4.699 ( -3.279 0.000 -10.384) 10.890 5.157 ( -5.567 0.000 20.494) 21.237 5.205 ( 24.174 0.000 -28.337) 37.248 5.954 ( 1.165 0.000 9.995) 10.062 5.963 ( 1.246 0.000 7.702) 7.802 6.449 ( -11.102 0.000 -2.961) 11.490 7.540 ( -4.134 0.000 -2.044) 4.612 9.016 ( -22.502 0.000 -5.299) 23.117 9.496 ( 6.377 0.000 -12.495) 14.029 9.554 ( 4.019 0.000 -4.126) 5.760 10.319 ( 5.921 0.000 -0.358) 5.932 10.428 ( 13.789 0.000 -1.736) 13.898 10.469 ( 4.615 0.000 2.936) 5.470 12.552 ( -16.186 0.000 14.933) 22.022 ======================= Grid point 123 (39/288) ======================= q-point: ( 0.20 0.00 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( 30.592 0.000 6.084) 31.191 1.705 ( 32.371 0.000 12.070) 34.548 2.049 ( 12.297 0.000 9.211) 15.364 2.366 ( 35.416 0.000 39.380) 52.963 4.565 ( -11.546 0.000 -5.541) 12.807 5.063 ( -2.967 0.000 17.092) 17.347 5.463 ( 5.771 0.000 -14.016) 15.157 5.916 ( -10.605 0.000 -3.584) 11.195 5.979 ( 1.470 0.000 9.360) 9.474 6.207 ( -9.574 0.000 8.372) 12.718 7.485 ( -1.762 0.000 -7.372) 7.580 8.572 ( -23.049 0.000 -5.352) 23.662 9.558 ( 1.013 0.000 -11.267) 11.312 9.593 ( 0.720 0.000 -4.300) 4.360 10.402 ( 2.709 0.000 5.669) 6.283 10.462 ( 0.226 0.000 4.857) 4.862 10.842 ( 22.409 0.000 -3.704) 22.713 12.365 ( -5.175 0.000 6.710) 8.474 ======================= Grid point 124 (40/288) ======================= q-point: ( 0.30 0.00 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( 31.966 0.000 0.055) 31.966 2.248 ( 23.261 0.000 6.797) 24.234 2.297 ( 14.263 0.000 2.893) 14.554 3.064 ( 36.239 0.000 34.353) 49.934 4.256 ( -20.222 0.000 3.204) 20.474 5.056 ( 1.800 0.000 7.785) 7.991 5.493 ( -1.850 0.000 -4.375) 4.750 5.518 ( -26.821 0.000 -2.457) 26.934 6.013 ( 2.066 0.000 8.301) 8.555 6.141 ( -0.591 0.000 11.052) 11.068 7.469 ( 0.162 0.000 -9.646) 9.647 8.156 ( -19.929 0.000 -6.045) 20.826 9.562 ( -0.169 0.000 -9.709) 9.711 9.594 ( -0.391 0.000 -5.273) 5.288 10.435 ( 1.068 0.000 8.732) 8.797 10.464 ( 0.066 0.000 6.249) 6.249 11.268 ( 21.619 0.000 -4.244) 22.031 12.286 ( -4.235 0.000 0.168) 4.238 ======================= Grid point 125 (41/288) ======================= q-point: ( 0.40 0.00 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.431 ( 16.247 0.000 -1.715) 16.337 2.566 ( 9.482 0.000 2.408) 9.783 2.672 ( 27.996 0.000 2.082) 28.073 3.735 ( 33.665 0.000 26.796) 43.027 3.807 ( -26.410 0.000 6.371) 27.167 4.936 ( -27.989 0.000 2.328) 28.086 5.157 ( 3.330 0.000 7.345) 8.065 5.412 ( -6.162 0.000 0.223) 6.166 6.057 ( 2.415 0.000 7.640) 8.012 6.129 ( -0.993 0.000 8.992) 9.047 7.498 ( 3.229 0.000 -9.834) 10.351 7.824 ( -14.530 0.000 -7.358) 16.287 9.560 ( 0.102 0.000 -8.591) 8.592 9.582 ( -0.796 0.000 -6.441) 6.490 10.450 ( 0.563 0.000 9.222) 9.239 10.464 ( -0.149 0.000 7.567) 7.569 11.655 ( 18.456 0.000 -4.378) 18.968 12.172 ( -8.179 0.000 -2.827) 8.654 ======================= Grid point 126 (42/288) ======================= q-point: (-0.50 0.00 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.614 ( -3.921 0.000 -0.933) 4.030 2.614 ( 3.921 0.000 -0.933) 4.030 3.257 ( -30.596 0.000 4.487) 30.923 3.257 ( 30.596 0.000 4.487) 30.923 4.355 ( -31.326 0.000 16.509) 35.410 4.355 ( 31.326 0.000 16.509) 35.410 5.277 ( -7.398 0.000 2.527) 7.818 5.277 ( 7.398 0.000 2.527) 7.818 6.100 ( -1.970 0.000 7.881) 8.123 6.100 ( 1.970 0.000 7.881) 8.123 7.606 ( -8.295 0.000 -8.840) 12.123 7.606 ( 8.295 0.000 -8.840) 12.123 9.568 ( -0.627 0.000 -7.556) 7.582 9.568 ( 0.627 0.000 -7.556) 7.582 10.459 ( -0.354 0.000 8.630) 8.637 10.459 ( 0.354 0.000 8.630) 8.637 11.964 ( -13.608 0.000 -4.041) 14.196 11.964 ( 13.608 0.000 -4.041) 14.196 ======================= Grid point 132 (43/288) ======================= q-point: ( 0.00 0.10 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( 0.000 16.467 22.931) 28.231 1.065 ( 0.000 31.974 21.670) 38.625 1.638 ( 0.000 26.515 51.504) 57.928 1.947 ( 0.000 10.168 12.263) 15.930 4.690 ( 0.000 -3.554 -10.411) 11.001 5.158 ( 0.000 -5.529 20.606) 21.335 5.208 ( 0.000 23.940 -28.368) 37.120 5.957 ( 0.000 1.185 10.015) 10.085 5.959 ( 0.000 1.179 7.542) 7.634 6.455 ( 0.000 -10.550 -2.927) 10.948 7.541 ( 0.000 -3.998 -2.082) 4.508 8.991 ( 0.000 -23.482 -5.147) 24.040 9.490 ( 0.000 6.041 -12.441) 13.831 9.570 ( 0.000 4.207 -4.122) 5.889 10.318 ( 0.000 5.882 -0.394) 5.895 10.444 ( 0.000 9.527 0.049) 9.527 10.475 ( 0.000 10.592 0.905) 10.631 12.540 ( 0.000 -17.458 15.079) 23.068 ======================= Grid point 133 (44/288) ======================= q-point: ( 0.10 0.10 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( 7.243 3.311 28.546) 29.636 1.216 ( 18.574 19.945 21.221) 34.542 1.978 ( 13.001 6.525 15.223) 21.056 2.064 ( 25.041 30.596 32.658) 51.281 4.688 ( -1.715 -2.388 -9.590) 10.031 4.938 ( -9.312 -9.191 8.393) 15.545 5.464 ( 9.786 9.855 -8.989) 16.544 5.910 ( -2.425 -2.450 5.608) 6.583 6.011 ( 2.590 2.543 8.607) 9.341 6.365 ( -8.866 -8.319 -0.278) 12.161 7.499 ( -3.383 -3.222 -5.183) 6.978 8.765 ( -17.323 -18.732 -5.044) 26.008 9.485 ( 4.916 5.308 -5.332) 8.988 9.876 ( 12.048 10.909 -15.171) 22.233 10.320 ( 3.989 4.468 -2.127) 6.356 10.453 ( 0.604 1.039 3.264) 3.478 10.501 ( 3.959 5.682 5.102) 8.602 12.427 ( -7.949 -9.145 12.949) 17.734 ======================= Grid point 134 (45/288) ======================= q-point: ( 0.20 0.10 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( 29.207 -14.981 14.214) 35.770 1.673 ( 26.522 8.703 16.118) 32.233 2.163 ( 11.210 6.052 7.272) 14.669 2.685 ( 32.887 27.076 28.705) 51.367 4.553 ( -12.695 -1.312 -3.239) 13.167 4.840 ( -0.969 -17.122 8.246) 19.029 5.534 ( -1.636 1.370 -1.748) 2.758 5.811 ( -11.017 -7.971 -4.890) 14.451 6.043 ( 0.156 3.713 7.510) 8.380 6.182 ( -6.610 -2.512 10.584) 12.729 7.440 ( -2.267 -3.972 -9.256) 10.325 8.449 ( -14.883 -8.876 -4.534) 17.912 9.577 ( 3.616 4.805 -5.487) 8.141 9.884 ( -6.216 21.029 -11.541) 24.780 10.411 ( 2.129 1.563 4.204) 4.965 10.462 ( 0.283 0.026 5.541) 5.548 10.750 ( 20.852 -8.807 -1.251) 22.670 12.311 ( -4.416 -5.024 5.584) 8.714 ======================= Grid point 135 (46/288) ======================= q-point: ( 0.30 0.10 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( 33.494 -17.512 3.972) 38.004 2.158 ( 22.316 4.418 7.996) 24.113 2.422 ( 16.015 5.652 7.151) 18.427 3.263 ( 26.871 17.029 24.203) 39.973 4.238 ( -19.608 -2.028 5.210) 20.390 4.863 ( 2.797 -16.954 2.477) 17.360 5.364 ( -21.077 -11.859 4.525) 24.604 5.516 ( -11.651 -3.918 -7.507) 14.404 6.042 ( 0.714 2.528 9.849) 10.194 6.142 ( -0.197 -0.145 11.291) 11.294 7.433 ( 2.089 -1.958 -10.196) 10.590 8.192 ( -12.386 3.886 -4.953) 13.894 9.617 ( 0.735 4.715 -5.884) 7.576 9.752 ( -6.479 15.120 -9.400) 18.946 10.433 ( 0.725 -0.105 7.273) 7.310 10.464 ( -0.012 -0.042 7.194) 7.194 11.171 ( 21.819 -9.815 -3.879) 24.238 12.229 ( -4.916 -5.744 0.279) 7.566 ======================= Grid point 136 (47/288) ======================= q-point: ( 0.40 0.10 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.377 ( 25.026 -13.430 1.858) 28.462 2.486 ( 12.192 4.086 -0.178) 12.859 2.772 ( 20.624 6.206 5.163) 22.148 3.680 ( 4.979 -3.385 13.785) 15.043 3.861 ( -6.741 3.114 15.151) 16.873 4.775 ( -24.957 -15.856 3.438) 29.767 5.022 ( 2.193 -12.888 5.740) 14.278 5.338 ( -9.057 -8.474 -2.026) 12.567 6.069 ( 1.842 1.191 9.370) 9.623 6.132 ( -0.949 0.207 9.677) 9.725 7.529 ( 7.887 4.961 -9.087) 13.015 7.957 ( -12.417 12.060 -6.089) 18.349 9.617 ( -0.346 4.218 -6.561) 7.808 9.655 ( -3.477 8.385 -8.299) 12.300 10.445 ( 0.558 -0.485 8.113) 8.146 10.462 ( -0.247 -0.232 7.895) 7.902 11.563 ( 18.788 -9.374 -4.090) 21.392 12.100 ( -8.922 -7.303 -2.423) 11.782 ======================= Grid point 137 (48/288) ======================= q-point: (-0.50 0.10 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.613 ( -0.497 -0.394 0.092) 0.641 2.613 ( 0.497 -0.394 0.092) 0.641 3.254 ( -28.158 -0.148 3.536) 28.379 3.254 ( 28.158 -0.148 3.536) 28.379 4.242 ( -26.925 -11.178 16.607) 33.552 4.242 ( 26.925 -11.178 16.607) 33.552 5.162 ( -9.070 -11.434 0.510) 14.603 5.162 ( 9.070 -11.434 0.510) 14.603 6.105 ( -1.791 0.519 9.093) 9.282 6.105 ( 1.791 0.519 9.093) 9.282 7.722 ( -11.716 11.643 -7.525) 18.151 7.722 ( 11.716 11.643 -7.525) 18.151 9.617 ( -0.686 4.829 -7.396) 8.859 9.617 ( 0.686 4.829 -7.396) 8.859 10.455 ( -0.439 -0.407 8.205) 8.227 10.455 ( 0.439 -0.407 8.205) 8.227 11.880 ( -14.134 -8.573 -3.653) 16.929 11.880 ( 14.134 -8.573 -3.653) 16.929 ======================= Grid point 143 (49/288) ======================= q-point: ( 0.00 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( 0.000 31.871 3.939) 32.113 1.704 ( 0.000 32.340 12.154) 34.549 2.007 ( 0.000 13.138 13.944) 19.158 2.395 ( 0.000 33.649 36.657) 49.759 4.554 ( 0.000 -11.406 -5.918) 12.850 5.061 ( 0.000 -3.389 17.651) 17.974 5.461 ( 0.000 5.582 -14.125) 15.188 5.918 ( 0.000 -9.379 -3.511) 10.015 5.983 ( 0.000 1.475 9.430) 9.544 6.220 ( 0.000 -9.953 7.975) 12.754 7.489 ( 0.000 -1.609 -7.450) 7.622 8.540 ( 0.000 -22.853 -5.177) 23.432 9.546 ( 0.000 0.757 -11.290) 11.316 9.607 ( 0.000 0.529 -4.275) 4.308 10.401 ( 0.000 2.840 5.610) 6.287 10.460 ( 0.000 0.146 4.719) 4.721 10.891 ( 0.000 23.204 -4.027) 23.551 12.321 ( 0.000 -7.058 7.272) 10.134 ======================= Grid point 144 (50/288) ======================= q-point: ( 0.10 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( -12.088 30.179 12.116) 34.694 1.699 ( 7.863 27.858 17.327) 33.736 2.127 ( 7.716 9.990 7.633) 14.752 2.686 ( 25.562 31.714 28.910) 49.950 4.548 ( -0.714 -12.542 -3.431) 13.022 4.835 ( -17.295 -1.592 8.307) 19.252 5.533 ( 1.408 -1.759 -1.435) 2.671 5.815 ( -7.903 -10.225 -4.905) 13.822 6.043 ( 3.596 0.366 7.472) 8.300 6.192 ( -2.914 -6.651 10.322) 12.620 7.445 ( -4.051 -1.996 -9.310) 10.348 8.430 ( -7.915 -15.563 -4.390) 18.003 9.583 ( 4.843 3.850 -5.820) 8.494 9.864 ( 20.070 -6.529 -10.976) 23.789 10.409 ( 1.323 2.212 4.200) 4.928 10.461 ( 0.085 0.170 5.588) 5.591 10.795 ( -9.291 22.014 -1.854) 23.966 12.281 ( -3.722 -6.187 5.929) 9.343 ======================= Grid point 145 (51/288) ======================= q-point: ( 0.20 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( 7.999 9.071 19.659) 23.081 1.978 ( 19.023 20.611 13.958) 31.329 2.297 ( 10.428 8.469 5.938) 14.687 3.205 ( 25.956 24.740 19.733) 40.929 4.486 ( -14.070 -12.155 12.599) 22.460 4.536 ( -5.072 -7.556 -7.282) 11.656 5.426 ( -12.547 -12.585 6.163) 18.809 5.615 ( -13.728 -13.073 -10.837) 21.836 6.099 ( 1.782 1.644 7.484) 7.867 6.127 ( -2.632 -2.126 15.452) 15.818 7.385 ( -0.415 -0.161 -10.447) 10.457 8.327 ( -2.568 -3.628 -3.855) 5.884 9.675 ( 3.730 4.302 -5.013) 7.587 10.163 ( 5.498 2.777 -11.501) 13.047 10.459 ( 0.110 -0.032 5.983) 5.984 10.527 ( 10.371 1.206 -2.607) 10.762 10.594 ( -6.284 6.553 6.201) 10.995 12.195 ( -5.088 -6.789 2.996) 8.997 ======================= Grid point 146 (52/288) ======================= q-point: ( 0.30 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( 29.370 -13.318 12.957) 34.755 2.358 ( 18.448 14.558 7.553) 24.684 2.538 ( 15.530 7.085 7.385) 18.598 3.596 ( 12.757 15.742 13.553) 24.377 4.168 ( -16.905 -5.647 10.387) 20.629 4.504 ( 0.154 -19.039 -2.648) 19.223 5.043 ( -26.476 -21.754 8.261) 35.249 5.334 ( -13.795 -14.183 -10.798) 22.540 6.087 ( -0.513 1.608 14.122) 14.222 6.134 ( 0.700 -0.345 10.387) 10.417 7.471 ( 9.487 7.112 -8.606) 14.651 8.301 ( -1.366 7.017 -4.373) 8.380 9.712 ( 0.284 4.454 -5.052) 6.741 10.078 ( -10.924 16.004 -10.080) 21.842 10.446 ( -1.919 2.168 4.872) 5.667 10.463 ( -0.827 0.030 8.644) 8.684 10.920 ( 21.471 -15.098 -2.992) 26.418 12.080 ( -7.284 -9.569 0.317) 12.031 ======================= Grid point 147 (53/288) ======================= q-point: ( 0.40 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( 33.197 -17.166 6.690) 37.967 2.614 ( 7.847 8.604 0.248) 11.648 2.896 ( 19.896 7.132 8.593) 22.815 3.619 ( -12.228 -3.695 5.120) 13.762 3.896 ( -7.128 0.442 14.810) 16.442 4.377 ( -23.076 -24.462 7.905) 34.546 4.704 ( 3.121 -19.367 2.145) 19.734 5.093 ( -11.764 -16.155 -7.492) 21.343 6.093 ( 0.943 0.995 13.255) 13.326 6.134 ( -0.579 0.025 10.869) 10.885 7.722 ( 15.669 15.060 -6.720) 22.748 8.230 ( -6.967 15.587 -5.012) 17.793 9.705 ( -0.314 4.386 -5.656) 7.164 9.861 ( -9.959 11.808 -7.851) 17.328 10.434 ( 0.277 -0.551 6.313) 6.343 10.454 ( -0.455 -0.530 7.690) 7.722 11.316 ( 19.368 -15.630 -3.306) 25.107 11.906 ( -11.077 -12.611 -1.527) 16.854 ======================= Grid point 148 (54/288) ======================= q-point: (-0.50 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.577 ( -15.216 -4.166 2.796) 16.022 2.577 ( 15.216 -4.166 2.796) 16.022 3.260 ( -19.477 1.099 1.645) 19.577 3.260 ( 19.477 1.099 1.645) 19.577 3.967 ( -14.244 -16.142 17.003) 27.433 3.967 ( 14.244 -16.142 17.003) 27.433 4.876 ( -10.957 -17.386 -3.727) 20.886 4.876 ( 10.957 -17.386 -3.727) 20.886 6.116 ( -1.232 0.398 11.920) 11.991 6.116 ( 1.232 0.398 11.920) 11.991 8.022 ( -14.289 18.889 -5.665) 24.353 8.022 ( 14.289 18.889 -5.665) 24.353 9.730 ( -3.633 6.207 -6.538) 9.719 9.730 ( 3.633 6.207 -6.538) 9.719 10.444 ( -0.593 -0.689 7.054) 7.113 10.444 ( 0.593 -0.689 7.054) 7.113 11.651 ( -15.497 -14.745 -2.673) 21.557 11.651 ( 15.497 -14.745 -2.673) 21.557 ======================= Grid point 154 (55/288) ======================= q-point: ( 0.00 0.30 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( 0.000 33.996 -1.327) 34.022 2.245 ( 0.000 23.172 6.803) 24.150 2.263 ( 0.000 14.401 4.168) 14.992 3.071 ( 0.000 35.665 34.490) 49.614 4.251 ( 0.000 -19.788 3.040) 20.021 5.046 ( 0.000 1.635 8.427) 8.585 5.490 ( 0.000 -1.794 -4.525) 4.867 5.546 ( 0.000 -26.042 -3.198) 26.238 6.016 ( 0.000 2.018 8.380) 8.619 6.144 ( 0.000 -0.860 11.167) 11.200 7.474 ( 0.000 0.136 -9.694) 9.695 8.134 ( 0.000 -19.210 -5.935) 20.106 9.547 ( 0.000 -0.223 -9.762) 9.764 9.604 ( 0.000 -0.747 -5.251) 5.304 10.437 ( 0.000 1.166 8.839) 8.916 10.463 ( 0.000 0.071 6.027) 6.027 11.315 ( 0.000 20.567 -4.472) 21.047 12.214 ( 0.000 -5.072 0.814) 5.137 ======================= Grid point 155 (56/288) ======================= q-point: ( 0.10 0.30 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( -14.107 35.642 1.840) 38.376 2.205 ( 4.439 22.564 10.044) 25.095 2.367 ( 5.870 15.869 5.480) 17.785 3.243 ( 15.340 26.249 25.574) 39.729 4.238 ( -1.561 -19.258 5.445) 20.074 4.847 ( -17.452 2.281 2.300) 17.750 5.373 ( -11.480 -18.776 5.032) 22.575 5.532 ( -4.247 -12.875 -8.344) 15.919 6.045 ( 2.475 0.670 9.686) 10.020 6.145 ( -0.166 -0.419 11.537) 11.545 7.439 ( -2.191 1.887 -10.234) 10.635 8.165 ( 3.707 -12.608 -4.737) 13.969 9.625 ( 5.509 0.766 -6.250) 8.367 9.734 ( 13.982 -6.123 -8.919) 17.679 10.434 ( -0.194 0.832 7.128) 7.179 10.462 ( -0.030 -0.025 7.206) 7.206 11.217 ( -9.891 20.920 -4.158) 23.511 12.171 ( -4.377 -5.775 0.747) 7.285 ======================= Grid point 156 (57/288) ======================= q-point: ( 0.20 0.30 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( -13.242 32.615 11.081) 36.904 2.394 ( 13.887 20.247 10.558) 26.725 2.501 ( 8.271 14.166 4.131) 16.916 3.565 ( 16.420 11.349 14.665) 24.769 4.175 ( -5.599 -16.860 11.399) 21.108 4.482 ( -18.774 -1.100 -3.382) 19.108 5.061 ( -21.492 -24.394 8.391) 33.576 5.338 ( -15.055 -14.576 -11.355) 23.833 6.088 ( 1.494 -0.500 13.715) 13.805 6.135 ( -0.430 0.673 10.812) 10.842 7.468 ( 6.723 8.900 -8.559) 14.060 8.280 ( 7.829 -2.458 -4.166) 9.203 9.724 ( 4.156 0.885 -4.921) 6.502 10.049 ( 16.155 -10.805 -9.911) 21.817 10.444 ( 2.036 -1.592 5.087) 5.706 10.460 ( -0.165 -0.560 8.501) 8.521 10.962 ( -15.574 21.016 -3.498) 26.390 12.053 ( -7.886 -8.219 0.474) 11.400 ======================= Grid point 157 (58/288) ======================= q-point: ( 0.30 0.30 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( 7.907 12.669 15.176) 21.292 2.673 ( 10.046 16.074 3.759) 19.324 2.708 ( 17.409 12.229 9.219) 23.187 3.754 ( -3.534 -4.981 6.758) 9.109 4.042 ( -4.386 -5.020 14.629) 16.076 4.188 ( -10.808 -12.617 -3.813) 17.045 4.556 ( -28.744 -26.467 10.039) 40.342 5.032 ( -15.430 -16.111 -13.956) 26.314 6.098 ( 0.025 0.030 17.011) 17.011 6.137 ( 0.235 0.312 10.322) 10.329 7.705 ( 17.187 16.484 -6.140) 24.593 8.436 ( 7.611 6.310 -4.615) 10.911 9.768 ( 0.483 1.350 -4.327) 4.558 10.225 ( -0.306 -2.424 -9.211) 9.529 10.451 ( -0.854 -0.984 7.986) 8.092 10.509 ( -1.795 -3.014 6.675) 7.541 10.751 ( 2.891 6.793 -4.316) 8.552 11.872 ( -10.909 -11.909 -0.066) 16.151 ======================= Grid point 158 (59/288) ======================= q-point: ( 0.40 0.30 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( 29.233 -8.737 11.798) 32.712 2.802 ( -1.011 10.482 0.704) 10.554 3.056 ( 17.744 9.703 11.694) 23.362 3.456 ( -18.149 -17.167 0.891) 24.997 3.870 ( -14.523 -3.890 6.159) 16.248 3.929 ( -19.858 -18.198 19.566) 33.292 4.335 ( 7.927 -17.106 -2.479) 19.015 4.763 ( -12.775 -17.418 -12.385) 24.900 6.103 ( 0.569 0.136 16.143) 16.154 6.134 ( -0.591 -0.159 12.571) 12.586 8.079 ( 20.371 21.274 -5.130) 29.898 8.528 ( 0.613 14.910 -5.059) 15.757 9.764 ( 0.100 1.442 -4.393) 4.624 10.046 ( -14.334 5.392 -6.816) 16.763 10.427 ( -0.412 -0.373 5.921) 5.947 10.453 ( -1.171 1.261 7.061) 7.268 11.014 ( 17.494 -13.879 -2.860) 22.513 11.635 ( -13.856 -15.204 -0.836) 20.587 ======================= Grid point 159 (60/288) ======================= q-point: (-0.50 0.30 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.428 ( -32.955 -11.452 6.583) 35.504 2.428 ( 32.955 -11.452 6.583) 35.504 3.307 ( -5.157 3.820 1.196) 6.528 3.307 ( 5.157 3.820 1.196) 6.528 3.682 ( -2.780 -12.333 16.922) 21.123 3.682 ( 2.780 -12.333 16.922) 21.123 4.534 ( -11.335 -17.483 -8.056) 22.339 4.534 ( 11.335 -17.483 -8.056) 22.339 6.118 ( -0.939 -0.130 14.530) 14.561 6.118 ( 0.939 -0.130 14.530) 14.561 8.415 ( -12.773 21.338 -5.111) 25.389 8.415 ( 12.773 21.338 -5.111) 25.389 9.823 ( -7.297 2.709 -4.955) 9.227 9.823 ( 7.297 2.709 -4.955) 9.227 10.435 ( -0.828 0.086 6.100) 6.157 10.435 ( 0.828 0.086 6.100) 6.157 11.344 ( -16.462 -16.487 -1.778) 23.366 11.344 ( 16.462 -16.487 -1.778) 23.366 ======================= Grid point 165 (61/288) ======================= q-point: ( 0.00 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.435 ( 0.000 15.104 -1.428) 15.171 2.561 ( 0.000 9.397 2.238) 9.660 2.658 ( 0.000 30.425 1.730) 30.474 3.741 ( 0.000 34.154 26.916) 43.485 3.811 ( 0.000 -25.977 6.951) 26.891 4.969 ( 0.000 -27.366 1.153) 27.391 5.146 ( 0.000 2.680 7.924) 8.365 5.410 ( 0.000 -6.160 0.135) 6.162 6.059 ( 0.000 2.352 7.660) 8.013 6.129 ( 0.000 -1.021 8.994) 9.052 7.502 ( 0.000 3.071 -9.858) 10.325 7.815 ( 0.000 -13.938 -7.316) 15.742 9.547 ( 0.000 0.330 -8.636) 8.643 9.583 ( 0.000 -1.253 -6.438) 6.559 10.452 ( 0.000 0.536 9.390) 9.406 10.463 ( 0.000 -0.064 7.430) 7.430 11.667 ( 0.000 16.066 -4.396) 16.656 12.102 ( 0.000 -7.167 -2.319) 7.533 ======================= Grid point 166 (62/288) ======================= q-point: ( 0.10 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.411 ( -8.248 24.507 0.521) 25.863 2.515 ( 3.344 11.761 0.958) 12.264 2.742 ( 6.133 22.555 3.603) 23.650 3.669 ( -4.414 8.156 15.592) 18.142 3.865 ( 2.751 -8.254 15.474) 17.752 4.789 ( -17.602 -21.515 1.991) 27.869 5.020 ( -11.948 -1.069 6.505) 13.646 5.336 ( -8.873 -9.774 -2.294) 13.398 6.071 ( 1.161 1.773 9.320) 9.558 6.133 ( 0.228 -1.003 9.744) 9.798 7.527 ( 4.126 7.224 -9.054) 12.296 7.930 ( 10.864 -12.109 -5.870) 17.295 9.624 ( 5.659 -0.575 -6.957) 8.987 9.647 ( 7.806 -2.918 -7.813) 11.423 10.447 ( -0.557 0.543 8.025) 8.063 10.460 ( -0.254 -0.188 7.959) 7.966 11.578 ( -9.071 16.646 -4.204) 19.418 12.042 ( -6.117 -8.082 -2.059) 10.343 ======================= Grid point 167 (63/288) ======================= q-point: ( 0.20 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.168 ( -15.454 34.723 5.188) 38.360 2.654 ( 9.743 8.820 0.240) 13.145 2.876 ( 7.940 20.638 6.536) 23.058 3.598 ( -3.683 -9.437 7.598) 12.663 3.887 ( -0.535 -9.287 15.621) 18.181 4.362 ( -25.389 -19.594 6.693) 32.762 4.716 ( -19.190 -1.395 2.829) 19.448 5.075 ( -16.924 -12.798 -7.972) 22.667 6.094 ( 0.949 0.935 13.081) 13.149 6.135 ( 0.035 -0.610 11.072) 11.088 7.702 ( 14.374 14.552 -6.527) 21.470 8.191 ( 15.641 -7.558 -4.663) 17.986 9.724 ( 4.597 -0.238 -5.422) 7.112 9.851 ( 11.702 -8.561 -7.794) 16.461 10.435 ( -0.521 0.243 6.303) 6.329 10.453 ( -0.471 -0.422 7.728) 7.754 11.337 ( -15.403 17.812 -3.683) 23.835 11.874 ( -11.160 -10.604 -1.452) 15.463 ======================= Grid point 168 (64/288) ======================= q-point: ( 0.30 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( -11.871 32.790 10.514) 36.424 2.871 ( 12.602 5.109 -0.166) 13.599 3.047 ( 9.817 18.137 10.042) 22.938 3.425 ( -19.628 -22.165 2.793) 29.738 3.839 ( -4.920 -16.477 3.517) 17.552 3.918 ( -16.130 -18.208 23.126) 33.563 4.342 ( -17.511 5.489 -2.460) 18.516 4.745 ( -16.695 -13.586 -12.762) 25.023 6.103 ( 0.128 0.590 16.060) 16.071 6.135 ( -0.206 -0.582 12.689) 12.704 8.058 ( 21.894 19.082 -4.944) 29.460 8.502 ( 16.034 -0.654 -4.786) 16.746 9.779 ( 0.825 0.643 -4.240) 4.367 10.036 ( 5.703 -13.204 -6.823) 15.919 10.428 ( -0.406 -0.320 6.050) 6.072 10.456 ( 1.417 -1.197 7.302) 7.534 11.032 ( -14.560 16.965 -3.435) 22.619 11.627 ( -14.340 -13.744 -0.936) 19.885 ======================= Grid point 169 (65/288) ======================= q-point: ( 0.40 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( 7.472 12.270 13.509) 19.720 2.827 ( -35.587 -24.579 5.782) 43.635 3.128 ( 13.968 4.682 -1.755) 14.836 3.267 ( 11.177 11.210 16.274) 22.703 3.699 ( -8.626 -11.623 20.741) 25.292 3.700 ( -12.415 -11.490 3.060) 17.190 4.150 ( -1.254 -1.263 -7.115) 7.334 4.453 ( -13.569 -14.412 -15.148) 24.925 6.105 ( 0.227 0.244 16.708) 16.711 6.126 ( -0.641 -0.615 14.675) 14.701 8.492 ( 21.723 20.367 -5.024) 30.199 8.765 ( 9.869 8.442 -5.547) 14.122 9.767 ( -0.977 -0.171 -3.605) 3.739 10.003 ( -8.883 -9.055 -5.644) 13.884 10.429 ( 0.833 0.915 5.805) 5.935 10.485 ( -0.054 0.196 10.249) 10.251 10.889 ( 2.009 2.687 -4.702) 5.776 11.339 ( -15.289 -15.354 -1.104) 21.696 ======================= Grid point 170 (66/288) ======================= q-point: (-0.50 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( -28.791 -12.082 11.058) 33.124 2.182 ( 28.791 -12.082 11.058) 33.124 3.390 ( -10.238 3.699 0.486) 10.897 3.390 ( 10.238 3.699 0.486) 10.897 3.525 ( -6.512 -3.716 19.367) 20.768 3.525 ( 6.512 -3.716 19.367) 20.768 4.237 ( -8.649 -12.677 -13.170) 20.223 4.237 ( 8.649 -12.677 -13.170) 20.223 6.113 ( -0.608 -0.274 16.092) 16.106 6.113 ( 0.608 -0.274 16.092) 16.106 8.800 ( -7.872 17.519 -5.853) 20.079 8.800 ( 7.872 17.519 -5.853) 20.079 9.812 ( -7.292 -3.618 -3.833) 8.997 9.812 ( 7.292 -3.618 -3.833) 8.997 10.457 ( -1.887 2.116 7.869) 8.364 10.457 ( 1.887 2.116 7.869) 8.364 11.060 ( -13.205 -12.029 -2.590) 18.049 11.060 ( 13.205 -12.029 -2.590) 18.049 ======================= Grid point 176 (67/288) ======================= q-point: ( 0.00 -0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.609 ( 0.000 -3.790 -1.101) 3.947 2.609 ( 0.000 3.790 -1.101) 3.947 3.264 ( 0.000 -30.825 5.146) 31.252 3.264 ( 0.000 30.825 5.146) 31.252 4.377 ( 0.000 -32.334 15.960) 36.058 4.377 ( 0.000 32.334 15.960) 36.058 5.272 ( 0.000 -7.741 2.488) 8.131 5.272 ( 0.000 7.741 2.488) 8.131 6.101 ( 0.000 -1.936 7.859) 8.093 6.101 ( 0.000 1.936 7.859) 8.093 7.605 ( 0.000 -7.999 -8.840) 11.922 7.605 ( 0.000 7.999 -8.840) 11.922 9.560 ( 0.000 -1.054 -7.578) 7.651 9.560 ( 0.000 1.054 -7.578) 7.651 10.460 ( 0.000 -0.251 8.674) 8.678 10.460 ( 0.000 0.251 8.674) 8.678 11.928 ( 0.000 -11.229 -3.782) 11.849 11.928 ( 0.000 11.229 -3.782) 11.849 ======================= Grid point 178 (68/288) ======================= q-point: ( 0.10 -0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.632 ( 2.130 -1.788 -0.400) 2.810 2.632 ( 2.130 1.788 -0.400) 2.810 3.260 ( -0.415 -28.954 4.058) 29.240 3.260 ( -0.415 28.954 4.058) 29.240 4.259 ( -11.837 -28.186 16.370) 34.677 4.259 ( -11.837 28.186 16.370) 34.677 5.149 ( -12.196 -9.426 0.448) 15.421 5.149 ( -12.196 9.426 0.448) 15.421 6.106 ( 0.516 -1.767 9.063) 9.248 6.106 ( 0.516 1.767 9.063) 9.248 7.706 ( 10.272 -11.023 -7.382) 16.779 7.706 ( 10.272 11.023 -7.382) 16.779 9.618 ( 5.538 -0.325 -7.353) 9.211 9.618 ( 5.538 0.325 -7.353) 9.211 10.455 ( -0.461 -0.359 8.218) 8.238 10.455 ( -0.461 0.359 8.218) 8.238 11.852 ( -7.790 -12.013 -3.521) 14.744 11.852 ( -7.790 12.013 -3.521) 14.744 ======================= Grid point 180 (69/288) ======================= q-point: ( 0.20 -0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.665 ( -0.011 -12.212 1.794) 12.343 2.665 ( -0.011 12.212 1.794) 12.343 3.251 ( -0.361 -20.689 0.990) 20.716 3.251 ( -0.361 20.689 0.990) 20.716 3.959 ( -17.997 -15.682 18.181) 30.006 3.959 ( -17.997 15.682 18.181) 30.006 4.850 ( -17.691 -10.600 -3.883) 20.985 4.850 ( -17.691 10.600 -3.883) 20.985 6.116 ( 0.407 -1.250 11.928) 12.000 6.116 ( 0.407 1.250 11.928) 12.000 7.983 ( 18.198 -13.705 -5.330) 23.397 7.983 ( 18.198 13.705 -5.330) 23.397 9.743 ( 6.590 -2.838 -6.395) 9.611 9.743 ( 6.590 2.838 -6.395) 9.611 10.444 ( -0.667 -0.534 7.069) 7.121 10.444 ( -0.667 0.534 7.069) 7.121 11.641 ( -13.821 -13.953 -2.830) 19.842 11.641 ( -13.821 13.953 -2.830) 19.842 ======================= Grid point 182 (70/288) ======================= q-point: ( 0.30 -0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.558 ( -12.558 -34.067 5.544) 36.728 2.558 ( -12.558 34.067 5.544) 36.728 3.269 ( 2.972 -0.693 -1.376) 3.347 3.269 ( 2.972 0.693 -1.376) 3.347 3.654 ( -11.709 -4.988 19.943) 23.658 3.654 ( -11.709 4.988 19.943) 23.658 4.513 ( -16.763 -10.776 -8.252) 21.569 4.513 ( -16.763 10.776 -8.252) 21.569 6.119 ( -0.148 -0.956 14.555) 14.588 6.119 ( -0.148 0.956 14.555) 14.588 8.376 ( 22.004 -12.579 -4.747) 25.787 8.376 ( 22.004 12.579 -4.747) 25.787 9.837 ( 2.462 -6.482 -4.913) 8.498 9.837 ( 2.462 6.482 -4.913) 8.498 10.437 ( 0.206 -0.872 6.282) 6.346 10.437 ( 0.206 0.872 6.282) 6.346 11.346 ( -16.133 -15.608 -2.154) 22.550 11.346 ( -16.133 15.608 -2.154) 22.550 ======================= Grid point 184 (71/288) ======================= q-point: ( 0.40 -0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.238 ( -17.018 -29.417 10.583) 35.595 2.238 ( -17.018 29.417 10.583) 35.595 3.359 ( 5.243 -12.044 -0.741) 13.157 3.359 ( 5.243 12.044 -0.741) 13.157 3.525 ( -2.574 -7.276 20.813) 22.198 3.525 ( -2.574 7.276 20.813) 22.198 4.230 ( -12.020 -8.436 -13.337) 19.837 4.230 ( -12.020 8.436 -13.337) 19.837 6.113 ( -0.295 -0.610 16.102) 16.116 6.113 ( -0.295 0.610 16.102) 16.116 8.783 ( 18.848 -7.853 -5.642) 21.184 8.783 ( 18.848 7.853 -5.642) 21.184 9.819 ( -4.058 -6.990 -3.930) 8.988 9.819 ( -4.058 6.990 -3.930) 8.988 10.459 ( 2.016 -1.954 8.081) 8.555 10.459 ( 2.016 1.954 8.081) 8.555 11.063 ( -12.214 -13.021 -2.852) 18.079 11.063 ( -12.214 13.021 -2.852) 18.079 ======================= Grid point 186 (72/288) ======================= q-point: (-0.50 -0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( 0.000 0.000 13.325) 13.325 2.052 ( 0.000 0.000 13.325) 13.325 3.413 ( 0.000 0.000 -0.804) 0.804 3.413 ( 0.000 0.000 -0.804) 0.804 3.518 ( 0.000 0.000 23.910) 23.910 3.518 ( 0.000 0.000 23.910) 23.910 4.101 ( -0.000 -0.000 -17.666) 17.666 4.101 ( 0.000 0.000 -17.666) 17.666 6.110 ( 0.000 0.000 16.590) 16.590 6.110 ( 0.000 0.000 16.590) 16.590 8.995 ( -0.000 -0.000 -6.807) 6.807 8.995 ( 0.000 0.000 -6.807) 6.807 9.752 ( 0.000 0.000 -3.273) 3.273 9.752 ( 0.000 0.000 -3.273) 3.273 10.488 ( 0.000 0.000 10.938) 10.938 10.488 ( 0.000 0.000 10.938) 10.938 10.933 ( 0.000 0.000 -4.796) 4.796 10.933 ( 0.000 0.000 -4.796) 4.796 ======================= Grid point 242 (73/288) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( 0.000 0.000 36.283) 36.283 1.379 ( 0.000 0.000 36.285) 36.285 2.150 ( 0.000 0.000 18.042) 18.042 2.559 ( 0.000 0.000 62.665) 62.665 4.484 ( 0.000 0.000 -12.887) 12.887 4.489 ( 0.000 0.000 -12.901) 12.901 5.730 ( 0.000 0.000 31.116) 31.116 6.175 ( 0.000 0.000 12.231) 12.231 6.178 ( 0.000 0.000 12.217) 12.217 6.414 ( 0.000 0.000 -9.841) 9.841 7.629 ( 0.000 0.000 1.581) 1.581 9.218 ( 0.000 0.000 -9.878) 9.878 9.219 ( 0.000 0.000 -9.869) 9.869 9.268 ( 0.000 0.000 -9.037) 9.037 10.192 ( 0.000 0.000 -2.687) 2.687 10.192 ( 0.000 0.000 -2.711) 2.711 10.563 ( 0.000 0.000 6.949) 6.949 12.884 ( 0.000 0.000 2.042) 2.042 ======================= Grid point 243 (74/288) ======================= q-point: ( 0.10 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( 3.646 0.000 31.966) 32.173 1.591 ( 19.952 0.000 30.458) 36.411 2.187 ( 3.216 0.000 17.524) 17.816 2.780 ( 21.421 0.000 58.077) 61.902 4.471 ( -1.958 0.000 -12.203) 12.359 4.752 ( 22.259 0.000 -18.742) 29.099 5.674 ( -6.133 0.000 30.251) 30.866 6.085 ( -9.196 0.000 1.886) 9.387 6.182 ( 0.618 0.000 12.026) 12.042 6.411 ( -0.223 0.000 1.311) 1.329 7.533 ( -8.309 0.000 0.941) 8.362 8.870 ( -22.170 0.000 -9.275) 24.032 9.265 ( 3.427 0.000 -12.049) 12.527 9.433 ( 4.899 0.000 -8.181) 9.535 10.287 ( 8.619 0.000 -2.540) 8.986 10.362 ( 16.008 0.000 -4.314) 16.579 10.573 ( 1.094 0.000 7.137) 7.221 12.741 ( -12.419 0.000 5.935) 13.764 ======================= Grid point 244 (75/288) ======================= q-point: ( 0.20 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( 17.187 0.000 19.492) 25.987 2.038 ( 24.327 0.000 21.209) 32.274 2.269 ( 5.525 0.000 14.294) 15.325 3.291 ( 30.030 0.000 51.409) 59.537 4.410 ( -4.712 0.000 -9.170) 10.310 5.148 ( 16.892 0.000 -16.614) 23.694 5.479 ( -14.554 0.000 17.568) 22.813 5.872 ( -11.500 0.000 4.891) 12.497 6.195 ( 0.680 0.000 11.550) 11.570 6.403 ( -0.741 0.000 10.482) 10.508 7.373 ( -7.420 0.000 -3.450) 8.183 8.428 ( -23.367 0.000 -8.940) 25.019 9.315 ( 1.672 0.000 -13.250) 13.355 9.473 ( 0.123 0.000 -7.762) 7.763 10.459 ( 8.116 0.000 0.258) 8.120 10.593 ( 1.788 0.000 8.295) 8.486 10.739 ( 21.065 0.000 -6.560) 22.063 12.500 ( -11.609 0.000 6.197) 13.160 ======================= Grid point 245 (76/288) ======================= q-point: ( 0.30 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( 26.825 0.000 8.476) 28.132 2.401 ( 8.376 0.000 8.586) 11.995 2.449 ( 17.139 0.000 13.475) 21.801 3.878 ( 30.281 0.000 46.231) 55.265 4.258 ( -12.766 0.000 -2.909) 13.093 5.162 ( -15.580 0.000 -1.917) 15.697 5.376 ( 6.921 0.000 -7.388) 10.123 5.671 ( -9.691 0.000 22.155) 24.182 6.209 ( 0.939 0.000 10.627) 10.668 6.380 ( -1.711 0.000 12.032) 12.153 7.269 ( -3.173 0.000 -9.306) 9.832 7.995 ( -21.321 0.000 -9.779) 23.456 9.337 ( 0.843 0.000 -12.791) 12.819 9.457 ( -1.552 0.000 -8.455) 8.597 10.578 ( 4.302 0.000 4.769) 6.423 10.622 ( 1.312 0.000 9.191) 9.284 11.151 ( 21.277 0.000 -7.324) 22.503 12.301 ( -9.614 0.000 1.349) 9.708 ======================= Grid point 246 (77/288) ======================= q-point: ( 0.40 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.494 ( 14.396 0.000 7.972) 16.456 2.661 ( 4.909 0.000 7.531) 8.990 2.666 ( 26.326 0.000 -1.594) 26.374 3.870 ( -27.395 0.000 -0.855) 27.409 4.418 ( 25.288 0.000 40.155) 47.455 4.965 ( -5.858 0.000 0.605) 5.889 5.426 ( -0.898 0.000 1.419) 1.680 5.493 ( -8.475 0.000 26.853) 28.158 6.237 ( 2.134 0.000 9.610) 9.844 6.339 ( -2.525 0.000 11.056) 11.340 7.261 ( 2.624 0.000 -13.019) 13.281 7.629 ( -16.495 0.000 -11.760) 20.258 9.355 ( 1.164 0.000 -11.842) 11.899 9.421 ( -2.037 0.000 -9.554) 9.769 10.632 ( 1.606 0.000 8.007) 8.166 10.642 ( 0.720 0.000 9.676) 9.703 11.538 ( 18.751 0.000 -7.163) 20.073 12.108 ( -11.125 0.000 -3.255) 11.592 ======================= Grid point 247 (78/288) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.655 ( -4.762 0.000 5.381) 7.185 2.655 ( 4.762 0.000 5.381) 7.185 3.274 ( -33.164 0.000 -2.432) 33.253 3.274 ( 33.164 0.000 -2.432) 33.253 4.806 ( -14.007 0.000 25.126) 28.767 4.806 ( 14.007 0.000 25.126) 28.767 5.399 ( -0.364 0.000 12.603) 12.608 5.399 ( 0.364 0.000 12.603) 12.608 6.287 ( -2.806 0.000 9.865) 10.256 6.287 ( 2.806 0.000 9.865) 10.256 7.377 ( -9.616 0.000 -13.492) 16.568 7.377 ( 9.616 0.000 -13.492) 16.568 9.383 ( -1.783 0.000 -10.729) 10.876 9.383 ( 1.783 0.000 -10.729) 10.876 10.648 ( -0.158 0.000 9.451) 9.452 10.648 ( 0.158 0.000 9.451) 9.452 11.861 ( -14.879 0.000 -5.984) 16.037 11.861 ( 14.879 0.000 -5.984) 16.037 ======================= Grid point 253 (79/288) ======================= q-point: ( 0.00 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 0.000 0.770 32.326) 32.335 1.591 ( 0.000 19.990 30.494) 36.462 2.194 ( 0.000 3.532 18.121) 18.462 2.787 ( 0.000 21.946 57.889) 61.909 4.463 ( 0.000 -2.214 -12.131) 12.331 4.754 ( 0.000 21.902 -18.855) 28.899 5.676 ( 0.000 -5.970 30.314) 30.896 6.078 ( 0.000 -9.295 1.799) 9.468 6.185 ( 0.000 0.672 12.022) 12.041 6.417 ( 0.000 0.115 1.245) 1.251 7.534 ( 0.000 -8.222 0.937) 8.275 8.848 ( 0.000 -23.014 -9.021) 24.719 9.260 ( 0.000 3.116 -11.984) 12.383 9.448 ( 0.000 5.141 -8.224) 9.698 10.285 ( 0.000 8.541 -2.499) 8.899 10.380 ( 0.000 17.561 -4.625) 18.160 10.571 ( 0.000 0.841 7.070) 7.120 12.733 ( 0.000 -13.277 6.101) 14.612 ======================= Grid point 254 (80/288) ======================= q-point: ( 0.10 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( 3.604 -1.005 32.424) 32.639 1.673 ( 11.792 13.794 25.562) 31.348 2.251 ( 4.875 4.735 16.995) 18.304 2.997 ( 20.042 20.587 53.634) 60.845 4.463 ( -1.164 -1.711 -12.383) 12.554 4.840 ( 7.521 7.421 -13.889) 17.451 5.693 ( 0.774 1.027 27.328) 27.358 5.950 ( -10.974 -11.258 -3.399) 16.085 6.211 ( 1.321 1.353 10.735) 10.900 6.420 ( 0.125 0.587 6.627) 6.654 7.438 ( -8.731 -8.626 -1.306) 12.343 8.635 ( -15.963 -17.116 -7.752) 24.655 9.331 ( 5.174 4.930 -10.239) 12.486 9.616 ( 9.441 9.538 -12.570) 18.388 10.263 ( 3.260 3.840 -3.521) 6.146 10.485 ( 7.255 8.478 -1.503) 11.259 10.588 ( 1.995 1.794 6.593) 7.118 12.628 ( -9.439 -10.284 7.382) 15.791 ======================= Grid point 255 (81/288) ======================= q-point: ( 0.20 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( 14.809 -4.653 23.476) 28.144 2.006 ( 19.907 4.440 18.214) 27.345 2.370 ( 8.005 6.259 14.154) 17.424 3.460 ( 26.081 15.871 46.765) 55.848 4.407 ( -4.488 -0.915 -9.597) 10.634 4.955 ( 2.676 -13.513 -1.563) 13.864 5.591 ( -13.374 2.180 -0.673) 13.567 5.774 ( -5.292 -6.676 12.392) 15.038 6.229 ( 0.797 2.737 10.300) 10.687 6.418 ( -0.378 1.248 12.569) 12.636 7.265 ( -7.645 -9.240 -7.677) 14.239 8.340 ( -14.376 -6.205 -5.949) 16.750 9.417 ( 3.197 6.590 -10.808) 13.056 9.650 ( -4.150 16.908 -12.218) 21.269 10.429 ( 9.370 -2.382 -1.904) 9.854 10.601 ( 3.309 0.376 8.173) 8.826 10.710 ( 13.916 -2.350 -2.816) 14.391 12.432 ( -10.125 -6.543 5.983) 13.458 ======================= Grid point 256 (82/288) ======================= q-point: ( 0.30 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( 25.817 -8.327 12.085) 29.697 2.339 ( 13.655 2.619 11.103) 17.793 2.573 ( 12.715 6.425 9.228) 16.974 3.922 ( 19.695 4.286 38.011) 43.024 4.284 ( -8.557 2.256 1.383) 8.957 4.905 ( -6.605 -19.843 -0.361) 20.917 5.357 ( -8.010 -7.289 -6.857) 12.819 5.630 ( -10.978 -5.762 22.208) 25.435 6.248 ( 1.221 3.423 10.619) 11.224 6.403 ( -1.308 1.953 13.805) 14.004 7.195 ( 0.996 -3.578 -12.891) 13.415 8.077 ( -13.527 6.793 -6.067) 16.307 9.447 ( 0.156 7.792 -11.458) 13.858 9.546 ( -5.340 11.261 -10.896) 16.554 10.545 ( 3.822 -2.368 3.992) 6.013 10.641 ( 1.164 1.070 9.344) 9.477 11.067 ( 20.818 -8.484 -6.307) 23.348 12.247 ( -9.608 -5.552 1.504) 11.198 ======================= Grid point 257 (83/288) ======================= q-point: ( 0.40 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.480 ( 25.067 -9.721 7.626) 27.946 2.550 ( 9.112 4.005 6.738) 12.020 2.802 ( 12.311 6.938 0.056) 14.132 3.835 ( -25.980 -3.409 0.792) 26.215 4.379 ( 16.752 -4.049 34.301) 38.387 4.825 ( -1.965 -13.540 1.857) 13.807 5.262 ( -3.459 -13.808 8.784) 16.727 5.384 ( -12.562 -13.675 17.139) 25.270 6.278 ( 1.965 3.688 11.045) 11.809 6.368 ( -2.245 2.710 12.898) 13.369 7.301 ( 9.563 7.103 -13.078) 17.690 7.810 ( -14.444 15.140 -8.056) 22.422 9.436 ( -0.818 7.408 -11.785) 13.944 9.468 ( -2.787 5.302 -10.077) 11.723 10.601 ( 2.219 -2.318 7.189) 7.872 10.649 ( -0.246 -0.167 9.550) 9.555 11.455 ( 19.170 -8.341 -6.387) 21.860 12.047 ( -11.669 -6.256 -2.600) 13.494 ======================= Grid point 258 (84/288) ======================= q-point: (-0.50 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.670 ( -2.348 1.354 5.832) 6.431 2.670 ( 2.348 1.354 5.832) 6.431 3.253 ( -31.584 -1.908 -3.012) 31.784 3.253 ( 31.584 -1.908 -3.012) 31.784 4.690 ( -13.648 -11.444 24.172) 30.025 4.690 ( 13.648 -11.444 24.172) 30.025 5.237 ( -2.565 -15.604 10.063) 18.744 5.237 ( 2.565 -15.604 10.063) 18.744 6.321 ( -2.462 3.418 11.773) 12.504 6.321 ( 2.462 3.418 11.773) 12.504 7.533 ( -13.947 14.886 -10.754) 23.060 7.533 ( 13.947 14.886 -10.754) 23.060 9.434 ( -0.818 5.056 -10.828) 11.978 9.434 ( 0.818 5.056 -10.828) 11.978 10.634 ( -1.264 -1.417 8.889) 9.089 10.634 ( 1.264 -1.417 8.889) 9.089 11.788 ( -15.463 -7.384 -5.167) 17.898 11.788 ( 15.463 -7.384 -5.167) 17.898 ======================= Grid point 264 (85/288) ======================= q-point: ( 0.00 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( 0.000 17.198 18.899) 25.552 2.038 ( 0.000 24.281 21.283) 32.289 2.277 ( 0.000 5.386 15.763) 16.657 3.303 ( 0.000 29.974 51.284) 59.402 4.398 ( 0.000 -4.701 -8.977) 10.133 5.143 ( 0.000 16.627 -16.863) 23.682 5.482 ( 0.000 -14.604 17.593) 22.864 5.872 ( 0.000 -10.839 4.730) 11.826 6.199 ( 0.000 0.709 11.557) 11.579 6.411 ( 0.000 -0.861 10.341) 10.377 7.377 ( 0.000 -7.268 -3.465) 8.052 8.400 ( 0.000 -23.223 -8.644) 24.780 9.304 ( 0.000 1.386 -13.143) 13.216 9.488 ( 0.000 -0.073 -7.787) 7.787 10.458 ( 0.000 8.262 0.274) 8.267 10.588 ( 0.000 1.355 8.053) 8.166 10.780 ( 0.000 22.048 -7.065) 23.153 12.469 ( 0.000 -13.028 6.893) 14.739 ======================= Grid point 265 (86/288) ======================= q-point: ( 0.10 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( -1.787 14.270 22.574) 26.766 2.045 ( 4.366 21.944 18.572) 29.078 2.349 ( 5.724 6.011 15.044) 17.182 3.463 ( 15.261 25.879 46.883) 55.683 4.402 ( -0.341 -4.396 -9.509) 10.481 4.948 ( -13.540 2.109 -1.620) 13.798 5.597 ( 2.314 -13.158 -0.962) 13.395 5.774 ( -6.798 -4.951 12.571) 15.125 6.229 ( 2.539 0.762 10.208) 10.547 6.424 ( 1.033 -0.222 12.525) 12.569 7.269 ( -9.284 -7.403 -7.726) 14.166 8.325 ( -5.352 -14.919 -5.751) 16.861 9.414 ( 7.326 3.098 -11.267) 13.792 9.645 ( 15.560 -4.235 -11.460) 19.783 10.430 ( -2.090 8.892 -1.640) 9.280 10.601 ( 0.761 2.583 8.263) 8.691 10.738 ( -3.617 16.108 -3.859) 16.954 12.410 ( -5.653 -11.481 6.460) 14.335 ======================= Grid point 266 (87/288) ======================= q-point: ( 0.20 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 704 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( 5.842 4.509 25.111) 26.173 2.241 ( 14.445 17.494 12.577) 25.940 2.477 ( 7.961 5.357 12.558) 15.804 3.807 ( 18.231 17.846 39.562) 47.074 4.352 ( -4.879 -4.589 -10.418) 12.386 4.726 ( -9.699 -10.547 9.016) 16.929 5.402 ( -16.741 -16.373 -11.313) 26.006 5.682 ( -9.004 -8.799 20.789) 24.304 6.276 ( 2.215 2.027 9.571) 10.031 6.439 ( 0.429 0.805 15.842) 15.868 7.141 ( -1.158 -0.932 -13.205) 13.289 8.251 ( -2.268 -3.073 -3.168) 4.962 9.527 ( 4.200 4.581 -10.067) 11.830 9.908 ( 6.111 4.261 -14.422) 16.232 10.441 ( 5.076 5.516 -5.495) 9.294 10.610 ( 1.528 2.054 8.555) 8.930 10.688 ( -0.565 1.001 3.049) 3.259 12.273 ( -8.253 -9.563 4.550) 13.427 ======================= Grid point 267 (88/288) ======================= q-point: ( 0.30 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( 20.901 -7.107 18.926) 29.078 2.506 ( 11.262 12.726 8.466) 18.986 2.686 ( 14.161 6.056 6.860) 16.861 4.016 ( -1.496 4.541 21.704) 22.225 4.313 ( 3.438 -0.993 8.516) 9.238 4.514 ( -12.125 -18.989 4.195) 22.917 5.107 ( -11.699 -17.439 -8.343) 22.596 5.378 ( -20.719 -20.283 22.323) 36.592 6.318 ( 2.257 3.788 11.178) 12.016 6.440 ( -0.394 1.721 17.118) 17.209 7.255 ( 12.122 10.353 -12.289) 20.128 8.215 ( -2.415 7.312 -3.540) 8.475 9.568 ( 0.215 5.242 -9.577) 10.920 9.843 ( -9.247 15.675 -13.796) 22.837 10.518 ( 1.877 0.665 1.505) 2.496 10.650 ( -0.292 -0.274 9.561) 9.569 10.854 ( 18.638 -12.537 -2.764) 22.632 12.098 ( -10.166 -9.712 1.635) 14.154 ======================= Grid point 268 (89/288) ======================= q-point: ( 0.40 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 704 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.264 ( 28.162 -11.367 11.949) 32.635 2.676 ( 6.583 8.102 6.375) 12.232 2.946 ( 11.412 8.568 -2.184) 14.437 3.744 ( -25.834 -6.392 3.022) 26.784 4.247 ( -0.172 -11.093 18.277) 21.381 4.527 ( 3.991 -14.495 9.234) 17.643 4.955 ( -6.544 -17.676 10.232) 21.447 4.989 ( -15.636 -25.466 12.406) 32.356 6.361 ( 2.082 4.468 13.698) 14.558 6.425 ( -1.155 2.800 16.718) 16.990 7.554 ( 17.759 18.196 -9.563) 27.165 8.121 ( -8.285 16.431 -5.233) 19.131 9.553 ( -1.019 5.448 -9.596) 11.081 9.660 ( -8.189 12.427 -12.274) 19.291 10.555 ( 2.152 -2.093 5.352) 6.137 10.631 ( -1.469 -1.628 8.779) 9.048 11.237 ( 19.844 -13.697 -3.947) 24.433 11.877 ( -13.133 -11.244 -1.051) 17.321 ======================= Grid point 269 (90/288) ======================= q-point: (-0.50 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.686 ( -9.860 -0.550 7.755) 12.556 2.686 ( 9.860 -0.550 7.755) 12.556 3.218 ( -22.698 -1.087 -4.534) 23.172 3.218 ( 22.698 -1.087 -4.534) 23.172 4.404 ( -13.129 -17.397 20.531) 29.942 4.404 ( 13.129 -17.397 20.531) 29.942 4.875 ( -3.016 -20.388 8.574) 22.322 4.875 ( 3.016 -20.388 8.574) 22.322 6.397 ( -1.695 3.892 15.558) 16.127 6.397 ( 1.695 3.892 15.558) 16.127 7.887 ( -15.761 20.809 -7.297) 27.105 7.887 ( 15.761 20.809 -7.297) 27.105 9.559 ( -2.359 7.347 -10.583) 13.097 9.559 ( 2.359 7.347 -10.583) 13.097 10.596 ( -2.077 -2.284 7.387) 8.006 10.596 ( 2.077 -2.284 7.387) 8.006 11.591 ( -16.793 -12.851 -2.965) 21.353 11.591 ( 16.793 -12.851 -2.965) 21.353 ======================= Grid point 275 (91/288) ======================= q-point: ( 0.00 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( 0.000 29.179 6.815) 29.964 2.403 ( 0.000 7.800 10.461) 13.049 2.446 ( 0.000 16.896 13.468) 21.607 3.886 ( 0.000 30.075 46.281) 55.194 4.256 ( 0.000 -11.724 -2.441) 11.975 5.166 ( 0.000 -15.504 -1.727) 15.600 5.368 ( 0.000 7.018 -7.658) 10.387 5.679 ( 0.000 -9.729 21.374) 23.484 6.212 ( 0.000 0.846 10.606) 10.640 6.384 ( 0.000 -1.933 12.101) 12.254 7.274 ( 0.000 -3.161 -9.286) 9.809 7.976 ( 0.000 -20.711 -9.593) 22.825 9.322 ( 0.000 0.777 -12.684) 12.708 9.466 ( 0.000 -1.924 -8.502) 8.717 10.581 ( 0.000 4.532 4.781) 6.588 10.614 ( 0.000 1.346 8.850) 8.952 11.192 ( 0.000 20.424 -7.695) 21.826 12.247 ( 0.000 -10.432 2.442) 10.714 ======================= Grid point 276 (92/288) ======================= q-point: ( 0.10 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( -5.798 28.423 10.354) 30.801 2.400 ( 3.567 12.240 10.866) 16.752 2.520 ( 4.996 13.108 10.641) 17.608 3.919 ( 3.494 19.461 38.315) 43.115 4.292 ( 3.109 -7.308 1.966) 8.182 4.889 ( -20.795 -6.823 -0.056) 21.886 5.362 ( -7.153 -8.440 -7.784) 13.527 5.637 ( -5.625 -10.714 22.171) 25.259 6.247 ( 3.094 1.188 10.385) 10.901 6.409 ( 2.066 -1.423 13.945) 14.168 7.200 ( -3.767 0.852 -12.918) 13.483 8.055 ( 6.762 -13.669 -5.724) 16.290 9.441 ( 9.499 -0.069 -12.224) 15.481 9.546 ( 9.457 -4.834 -9.955) 14.557 10.544 ( -2.418 3.896 4.050) 6.117 10.637 ( 1.186 1.289 9.081) 9.248 11.105 ( -8.741 20.097 -6.775) 22.939 12.202 ( -4.600 -10.421 2.335) 11.628 ======================= Grid point 277 (93/288) ======================= q-point: ( 0.20 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( -5.914 23.518 17.480) 29.893 2.561 ( 12.009 9.691 7.814) 17.297 2.626 ( 6.603 15.010 7.635) 18.088 4.010 ( 5.347 -0.426 23.594) 24.196 4.328 ( -2.343 4.526 6.273) 8.082 4.491 ( -17.737 -14.350 6.123) 23.622 5.105 ( -18.065 -12.384 -9.489) 23.870 5.386 ( -20.448 -20.285 22.466) 36.528 6.315 ( 3.873 2.123 11.026) 11.877 6.445 ( 1.506 -0.242 17.166) 17.234 7.254 ( 10.031 11.690 -12.212) 19.657 8.199 ( 7.945 -3.246 -3.227) 9.170 9.580 ( 5.183 0.930 -9.783) 11.110 9.821 ( 15.580 -9.255 -13.220) 22.431 10.520 ( 0.953 1.982 1.765) 2.820 10.648 ( -0.092 -0.053 9.723) 9.723 10.882 ( -13.576 18.402 -3.786) 23.179 12.076 ( -8.419 -11.027 1.955) 14.010 ======================= Grid point 278 (94/288) ======================= q-point: ( 0.30 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( 7.641 10.367 20.475) 24.189 2.734 ( 6.854 8.921 5.346) 12.456 2.864 ( 16.239 13.843 3.123) 21.566 4.020 ( -18.407 -11.408 14.951) 26.316 4.084 ( -5.036 -13.763 -4.714) 15.395 4.360 ( -2.922 -1.175 21.302) 21.533 4.745 ( -16.230 -17.911 -14.216) 28.041 4.943 ( -23.226 -22.492 27.340) 42.342 6.386 ( 3.250 3.041 13.942) 14.636 6.464 ( 0.510 0.799 19.139) 19.162 7.550 ( 19.571 19.053 -8.821) 28.702 8.345 ( 6.711 5.752 -3.757) 9.604 9.639 ( 0.994 1.998 -8.860) 9.137 10.000 ( 0.330 -1.521 -13.684) 13.773 10.603 ( -1.270 -4.688 5.243) 7.147 10.634 ( 0.095 8.008 -6.920) 10.584 10.680 ( 3.013 0.530 11.413) 11.816 11.883 ( -11.719 -12.645 1.303) 17.290 ======================= Grid point 279 (95/288) ======================= q-point: ( 0.40 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.101 ( 23.902 -3.959 17.459) 29.863 2.843 ( 2.526 9.224 3.769) 10.279 3.145 ( 10.745 12.283 -3.250) 16.640 3.543 ( -27.406 -16.749 5.378) 32.566 3.953 ( -4.234 -16.758 2.720) 17.498 4.334 ( -5.007 -7.342 12.658) 15.466 4.507 ( -9.887 -21.897 6.452) 24.877 4.606 ( -8.270 -18.225 20.480) 28.635 6.433 ( 1.764 2.930 16.857) 17.200 6.467 ( -0.202 1.571 19.466) 19.531 7.953 ( 21.119 22.476 -7.021) 31.630 8.420 ( -0.156 14.416 -5.037) 15.272 9.637 ( -0.188 2.803 -8.502) 8.954 9.861 ( -11.335 6.316 -11.888) 17.598 10.539 ( -0.389 0.388 4.543) 4.576 10.605 ( -2.073 0.723 6.169) 6.548 10.968 ( 18.355 -13.343 -0.015) 22.692 11.628 ( -14.846 -14.448 0.510) 20.722 ======================= Grid point 280 (96/288) ======================= q-point: (-0.50 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.623 ( -26.370 -6.055 12.175) 29.670 2.623 ( 26.370 -6.055 12.175) 29.670 3.237 ( -2.863 3.277 -5.961) 7.380 3.237 ( 2.863 3.277 -5.961) 7.380 4.065 ( -14.471 -16.848 10.461) 24.550 4.065 ( 14.471 -16.848 10.461) 24.550 4.506 ( -3.963 -17.364 14.490) 22.961 4.506 ( 3.963 -17.364 14.490) 22.961 6.457 ( -0.813 2.304 18.672) 18.831 6.457 ( 0.813 2.304 18.672) 18.831 8.296 ( -13.103 21.296 -6.139) 25.747 8.296 ( 13.103 21.296 -6.139) 25.747 9.681 ( -5.887 4.372 -9.452) 11.963 9.681 ( 5.887 4.372 -9.452) 11.963 10.563 ( -2.122 -0.477 5.631) 6.037 10.563 ( 2.122 -0.477 5.631) 6.037 11.317 ( -17.520 -15.177 -0.194) 23.180 11.317 ( 17.520 -15.177 -0.194) 23.180 ======================= Grid point 286 (97/288) ======================= q-point: ( 0.00 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.498 ( 0.000 14.403 7.639) 16.303 2.653 ( 0.000 27.905 -1.114) 27.927 2.654 ( 0.000 4.748 7.447) 8.832 3.889 ( 0.000 -26.656 -0.052) 26.656 4.424 ( 0.000 25.402 40.139) 47.502 4.973 ( 0.000 -5.427 -0.379) 5.440 5.422 ( 0.000 -0.797 1.265) 1.495 5.493 ( 0.000 -9.085 26.969) 28.458 6.239 ( 0.000 2.004 9.508) 9.717 6.339 ( 0.000 -2.642 11.081) 11.392 7.265 ( 0.000 2.476 -12.974) 13.208 7.622 ( 0.000 -15.973 -11.677) 19.786 9.341 ( 0.000 1.382 -11.759) 11.840 9.422 ( 0.000 -2.492 -9.590) 9.909 10.637 ( 0.000 1.568 8.076) 8.227 10.637 ( 0.000 0.999 9.484) 9.536 11.549 ( 0.000 16.731 -7.198) 18.214 12.052 ( 0.000 -10.418 -2.298) 10.669 ======================= Grid point 287 (98/288) ======================= q-point: ( 0.10 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.502 ( -4.504 26.225 7.909) 27.760 2.578 ( 1.861 8.981 5.253) 10.569 2.759 ( 6.115 12.769 0.514) 14.167 3.858 ( -3.021 -25.047 1.936) 25.303 4.385 ( -4.157 16.862 34.379) 38.516 4.814 ( -15.182 -1.066 1.146) 15.262 5.256 ( -13.779 -4.036 7.324) 16.118 5.388 ( -13.584 -13.306 18.244) 26.351 6.277 ( 3.456 1.969 10.817) 11.525 6.371 ( 2.911 -2.458 13.024) 13.570 7.300 ( 6.450 9.041 -12.982) 17.085 7.789 ( 14.250 -14.179 -7.676) 21.519 9.429 ( 8.439 -0.571 -12.038) 14.713 9.475 ( 5.283 -2.762 -9.785) 11.458 10.601 ( -2.339 2.299 7.285) 7.989 10.649 ( -0.146 -0.109 9.458) 9.460 11.467 ( -8.306 17.338 -6.578) 20.319 11.999 ( -5.438 -11.104 -1.882) 12.506 ======================= Grid point 288 (99/288) ======================= q-point: ( 0.20 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 704 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.339 ( -10.237 31.109 10.938) 34.528 2.698 ( 8.465 6.273 4.811) 11.582 2.902 ( 9.199 11.155 -1.938) 14.587 3.775 ( -6.140 -25.254 4.923) 26.452 4.236 ( -13.174 -0.539 16.563) 21.170 4.502 ( -13.412 4.482 10.579) 17.660 4.940 ( -20.168 -6.077 -1.099) 21.093 4.994 ( -23.834 -17.584 23.143) 37.588 6.357 ( 4.507 2.243 13.557) 14.461 6.430 ( 2.799 -1.303 16.822) 17.102 7.539 ( 17.635 16.868 -9.256) 26.100 8.091 ( 16.492 -8.769 -4.691) 19.258 9.575 ( 5.828 -0.907 -9.734) 11.382 9.653 ( 12.217 -6.974 -12.047) 18.521 10.557 ( -1.800 2.144 5.538) 6.206 10.633 ( -1.396 -1.378 9.033) 9.244 11.248 ( -13.957 18.572 -4.626) 23.688 11.848 ( -10.183 -12.916 -0.819) 16.468 ======================= Grid point 289 (100/288) ======================= q-point: ( 0.30 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.164 ( -6.313 27.234 16.448) 32.436 2.877 ( 9.912 5.944 1.488) 11.653 3.118 ( 13.224 9.253 -2.782) 16.378 3.555 ( -19.401 -29.773 7.456) 36.310 3.926 ( -15.372 -3.690 2.603) 16.022 4.333 ( -6.689 -7.440 11.086) 14.933 4.479 ( -21.440 -7.561 4.696) 23.214 4.612 ( -18.533 -9.971 23.312) 31.406 6.432 ( 3.054 1.829 16.905) 17.275 6.470 ( 1.383 -0.181 19.446) 19.496 7.937 ( 22.947 20.117 -6.739) 31.251 8.401 ( 15.290 -1.123 -4.657) 16.023 9.654 ( 2.053 0.318 -8.537) 8.786 9.852 ( 6.546 -10.415 -11.776) 17.029 10.545 ( 0.099 -0.184 4.913) 4.918 10.617 ( 1.571 -2.301 6.871) 7.414 10.967 ( -14.208 18.186 -1.261) 23.112 11.617 ( -13.675 -15.024 0.420) 20.320 ======================= Grid point 290 (101/288) ======================= q-point: ( 0.40 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 704 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.168 ( 8.098 11.703 20.169) 24.685 3.007 ( -20.138 -2.215 8.219) 21.863 3.110 ( 1.700 -14.704 4.380) 15.437 3.402 ( 12.599 10.746 -7.569) 18.208 3.664 ( -11.111 -11.364 -2.085) 16.029 4.124 ( -14.753 -15.419 -16.465) 26.953 4.266 ( -4.731 -4.990 23.762) 24.737 4.313 ( -9.600 -9.751 34.538) 37.150 6.472 ( 1.291 1.272 19.259) 19.344 6.486 ( 0.374 0.482 20.578) 20.587 8.373 ( 21.094 20.066 -6.412) 29.811 8.644 ( 8.763 7.738 -5.864) 13.079 9.659 ( -0.492 0.259 -7.458) 7.479 9.847 ( -6.604 -6.845 -10.162) 13.919 10.548 ( 1.286 1.653 5.070) 5.485 10.733 ( -3.932 6.217 12.774) 14.741 10.763 ( 6.831 -2.640 -6.529) 9.811 11.334 ( -15.656 -16.032 1.308) 22.447 ======================= Grid point 291 (102/288) ======================= q-point: (-0.50 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.485 ( -24.159 -6.915 18.559) 31.240 2.485 ( 24.159 -6.915 18.559) 31.240 3.327 ( -12.877 5.207 -5.396) 14.902 3.327 ( 12.877 5.207 -5.396) 14.902 3.799 ( -17.440 -10.277 -7.001) 21.420 3.799 ( 17.440 -10.277 -7.001) 21.420 4.231 ( -1.189 -10.822 26.593) 28.735 4.231 ( 1.189 -10.822 26.593) 28.735 6.487 ( -0.294 0.874 20.459) 20.480 6.487 ( 0.294 0.874 20.459) 20.480 8.668 ( -7.657 16.283 -6.746) 19.216 8.668 ( 7.657 16.283 -6.746) 19.216 9.698 ( -5.899 -2.396 -7.825) 10.088 9.698 ( 5.899 -2.396 -7.825) 10.088 10.609 ( -4.942 5.714 5.010) 9.065 10.609 ( 4.942 5.714 5.010) 9.065 11.030 ( -15.702 -14.340 1.518) 21.319 11.030 ( 15.702 -14.340 1.518) 21.319 ======================= Grid point 297 (103/288) ======================= q-point: ( 0.00 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.649 ( 0.000 -4.415 5.434) 7.001 2.649 ( 0.000 4.415 5.434) 7.001 3.292 ( 0.000 -34.036 -2.103) 34.101 3.292 ( 0.000 34.036 -2.103) 34.101 4.817 ( 0.000 -14.275 24.668) 28.501 4.817 ( 0.000 14.275 24.668) 28.501 5.393 ( 0.000 -0.230 12.631) 12.633 5.393 ( 0.000 0.230 12.631) 12.633 6.286 ( 0.000 -2.797 9.774) 10.166 6.286 ( 0.000 2.797 9.774) 10.166 7.377 ( 0.000 -9.348 -13.447) 16.377 7.377 ( 0.000 9.348 -13.447) 16.377 9.376 ( 0.000 -2.193 -10.707) 10.929 9.376 ( 0.000 2.193 -10.707) 10.929 10.649 ( 0.000 -0.133 9.453) 9.454 10.649 ( 0.000 0.133 9.453) 9.454 11.832 ( 0.000 -12.922 -5.504) 14.045 11.832 ( 0.000 12.922 -5.504) 14.045 ======================= Grid point 299 (104/288) ======================= q-point: ( 0.10 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.680 ( 3.139 -2.887 5.428) 6.903 2.680 ( 3.139 2.887 5.428) 6.903 3.269 ( -2.326 -33.459 -2.570) 33.638 3.269 ( -2.326 33.459 -2.570) 33.638 4.699 ( -11.813 -13.234 23.424) 29.383 4.699 ( -11.813 13.234 23.424) 29.383 5.225 ( -16.198 -2.780 10.462) 19.482 5.225 ( -16.198 2.780 10.462) 19.482 6.321 ( 3.454 -2.580 11.704) 12.473 6.321 ( 3.454 2.580 11.704) 12.473 7.521 ( 13.822 -13.398 -10.484) 21.919 7.521 ( 13.822 13.398 -10.484) 21.919 9.435 ( 5.818 -1.295 -10.834) 12.366 9.435 ( 5.818 1.295 -10.834) 12.366 10.635 ( -1.432 -1.277 8.952) 9.155 10.635 ( -1.432 1.277 8.952) 9.155 11.764 ( -6.932 -13.735 -4.891) 16.144 11.764 ( -6.932 13.735 -4.891) 16.144 ======================= Grid point 301 (105/288) ======================= q-point: ( 0.20 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.751 ( 3.291 -4.996 6.409) 8.767 2.751 ( 3.291 4.996 6.409) 8.767 3.207 ( -3.710 -27.542 -3.913) 28.065 3.207 ( -3.710 27.542 -3.913) 28.065 4.398 ( -18.528 -12.911 18.965) 29.490 4.398 ( -18.528 12.911 18.965) 29.490 4.855 ( -20.326 -2.193 10.076) 22.792 4.855 ( -20.326 2.193 10.076) 22.792 6.398 ( 3.955 -1.973 15.571) 16.186 6.398 ( 3.955 1.973 15.571) 16.186 7.857 ( 20.254 -15.304 -6.767) 26.272 7.857 ( 20.254 15.304 -6.767) 26.272 9.573 ( 7.733 -1.524 -10.618) 13.223 9.573 ( 7.733 1.524 -10.618) 13.223 10.599 ( -2.092 -2.073 7.634) 8.183 10.599 ( -2.092 2.073 7.634) 8.183 11.576 ( -12.351 -15.639 -3.155) 20.176 11.576 ( -12.351 15.639 -3.155) 20.176 ======================= Grid point 303 (106/288) ======================= q-point: ( 0.30 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.736 ( -6.693 -27.373 11.374) 30.389 2.736 ( -6.693 27.373 11.374) 30.389 3.179 ( 2.459 -2.892 -5.887) 7.005 3.179 ( 2.459 2.892 -5.887) 7.005 4.047 ( -16.446 -14.728 8.463) 23.644 4.047 ( -16.446 14.728 8.463) 23.644 4.495 ( -16.780 -4.059 16.301) 23.744 4.495 ( -16.780 4.059 16.301) 23.744 6.458 ( 2.276 -0.991 18.706) 18.870 6.458 ( 2.276 0.991 18.706) 18.870 8.267 ( 21.854 -12.994 -5.617) 26.039 8.267 ( 21.854 12.994 -5.617) 26.039 9.695 ( 3.971 -4.994 -9.541) 11.478 9.695 ( 3.971 4.994 -9.541) 11.478 10.571 ( -0.154 -2.292 6.091) 6.510 10.571 ( -0.154 2.292 6.091) 6.510 11.309 ( -14.984 -17.145 -0.751) 22.782 11.309 ( -14.984 17.145 -0.751) 22.782 ======================= Grid point 305 (107/288) ======================= q-point: ( 0.40 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.534 ( -11.270 -25.291 18.367) 33.226 2.534 ( -11.270 25.291 18.367) 33.226 3.291 ( 7.589 -13.677 -5.339) 16.527 3.291 ( 7.589 13.677 -5.339) 16.527 3.800 ( -9.488 -16.942 -8.095) 21.038 3.800 ( -9.488 16.942 -8.095) 21.038 4.228 ( -10.542 -0.998 27.380) 29.357 4.228 ( -10.542 0.998 27.380) 29.357 6.487 ( 0.829 -0.331 20.472) 20.492 6.487 ( 0.829 0.331 20.472) 20.492 8.656 ( 17.294 -7.669 -6.486) 20.000 8.656 ( 17.294 7.669 -6.486) 20.000 9.703 ( -2.793 -5.593 -7.930) 10.098 9.703 ( -2.793 5.593 -7.930) 10.098 10.618 ( 5.406 -5.447 5.450) 9.413 10.618 ( 5.406 5.447 5.450) 9.413 11.024 ( -14.207 -16.014 1.024) 21.432 11.024 ( -14.207 16.014 1.024) 21.432 ======================= Grid point 307 (108/288) ======================= q-point: (-0.50 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.411 ( 0.000 0.000 21.954) 21.954 2.411 ( 0.000 0.000 21.954) 21.954 3.390 ( 0.000 0.000 -1.505) 1.505 3.390 ( 0.000 0.000 -1.505) 1.505 3.694 ( -0.000 -0.000 -21.609) 21.609 3.694 ( 0.000 0.000 -21.609) 21.609 4.121 ( -0.000 -0.000 35.145) 35.145 4.121 ( 0.000 0.000 35.145) 35.145 6.494 ( 0.000 0.000 21.020) 21.020 6.494 ( 0.000 0.000 21.020) 21.020 8.845 ( -0.000 -0.000 -7.557) 7.557 8.845 ( 0.000 0.000 -7.557) 7.557 9.653 ( 0.000 0.000 -6.830) 6.830 9.653 ( 0.000 0.000 -6.830) 6.830 10.755 ( -0.000 -0.000 15.285) 15.285 10.755 ( 0.000 0.000 15.285) 15.285 10.802 ( -0.000 -0.000 -8.194) 8.194 10.802 ( 0.000 0.000 -8.194) 8.194 ======================= Grid point 363 (109/288) ======================= q-point: ( 0.00 0.00 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( 0.000 0.000 37.552) 37.552 2.105 ( 0.000 0.000 37.543) 37.543 2.553 ( 0.000 0.000 22.624) 22.624 3.748 ( 0.000 0.000 58.114) 58.114 4.237 ( 0.000 0.000 -11.813) 11.813 4.242 ( 0.000 0.000 -11.834) 11.834 6.177 ( 0.000 0.000 -14.226) 14.226 6.377 ( 0.000 0.000 33.152) 33.152 6.383 ( 0.000 0.000 8.130) 8.130 6.386 ( 0.000 0.000 8.108) 8.108 7.672 ( 0.000 0.000 2.803) 2.803 8.994 ( 0.000 0.000 -12.415) 12.415 8.996 ( 0.000 0.000 -12.415) 12.415 9.057 ( 0.000 0.000 -12.274) 12.274 10.134 ( 0.000 0.000 -3.151) 3.151 10.134 ( 0.000 0.000 -3.131) 3.131 10.734 ( 0.000 0.000 10.612) 10.612 12.909 ( 0.000 0.000 0.174) 0.174 ======================= Grid point 364 (110/288) ======================= q-point: ( 0.10 0.00 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.038 ( -4.426 0.000 33.450) 33.742 2.231 ( 12.183 0.000 34.130) 36.239 2.585 ( 2.109 0.000 22.877) 22.974 3.905 ( 16.029 0.000 55.290) 57.566 4.240 ( -0.183 0.000 -10.883) 10.884 4.441 ( 18.764 0.000 -12.812) 22.721 5.927 ( -20.330 0.000 -10.169) 22.731 6.349 ( -1.306 0.000 30.048) 30.077 6.389 ( 0.510 0.000 8.226) 8.242 6.509 ( 5.910 0.000 6.970) 9.138 7.567 ( -9.915 0.000 2.410) 10.204 8.668 ( -20.909 0.000 -10.835) 23.550 9.014 ( 1.569 0.000 -13.268) 13.361 9.235 ( 6.263 0.000 -11.828) 13.383 10.228 ( 9.018 0.000 -3.276) 9.594 10.270 ( 13.368 0.000 -4.862) 14.225 10.747 ( 1.276 0.000 10.594) 10.671 12.814 ( -9.275 0.000 1.604) 9.413 ======================= Grid point 365 (111/288) ======================= q-point: ( 0.20 0.00 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.022 ( 4.182 0.000 23.749) 24.115 2.513 ( 15.544 0.000 26.464) 30.691 2.617 ( 1.536 0.000 21.025) 21.081 4.237 ( -0.314 0.000 -7.808) 7.814 4.317 ( 25.368 0.000 51.716) 57.603 4.847 ( 21.456 0.000 -13.317) 25.253 5.476 ( -25.475 0.000 -10.401) 27.516 6.314 ( -2.453 0.000 31.099) 31.196 6.399 ( 0.383 0.000 8.471) 8.479 6.577 ( 1.295 0.000 6.204) 6.338 7.341 ( -12.521 0.000 -0.262) 12.524 8.244 ( -22.915 0.000 -9.038) 24.633 9.044 ( 1.499 0.000 -13.983) 14.064 9.292 ( 0.363 0.000 -10.619) 10.625 10.431 ( 10.935 0.000 -2.677) 11.258 10.594 ( 18.867 0.000 -7.898) 20.453 10.782 ( 2.724 0.000 10.920) 11.254 12.591 ( -13.157 0.000 2.809) 13.453 ======================= Grid point 366 (112/288) ======================= q-point: ( 0.30 0.00 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.221 ( 16.489 0.000 11.290) 19.984 2.658 ( 2.956 0.000 17.583) 17.830 2.763 ( 9.411 0.000 18.012) 20.322 4.177 ( -9.246 0.000 -4.541) 10.301 4.818 ( 25.307 0.000 48.220) 54.458 5.044 ( -15.492 0.000 -7.845) 17.365 5.215 ( 16.616 0.000 -8.500) 18.663 6.250 ( -4.454 0.000 32.717) 33.019 6.399 ( -0.434 0.000 8.161) 8.172 6.567 ( -2.087 0.000 5.696) 6.067 7.127 ( -8.928 0.000 -5.297) 10.381 7.804 ( -22.586 0.000 -8.546) 24.148 9.073 ( 1.616 0.000 -13.644) 13.739 9.271 ( -2.174 0.000 -10.301) 10.528 10.617 ( 8.084 0.000 -0.480) 8.098 10.790 ( 2.020 0.000 5.453) 5.815 11.013 ( 20.259 0.000 -4.136) 20.677 12.330 ( -13.885 0.000 1.191) 13.936 ======================= Grid point 367 (113/288) ======================= q-point: ( 0.40 0.00 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.633 ( 25.076 0.000 -0.322) 25.078 2.736 ( 5.806 0.000 15.247) 16.315 2.857 ( 0.684 0.000 12.050) 12.069 3.794 ( -28.551 0.000 -5.939) 29.162 4.984 ( 6.744 0.000 2.029) 7.042 5.176 ( 8.435 0.000 28.145) 29.382 5.528 ( 18.340 0.000 16.091) 24.398 6.127 ( -9.039 0.000 35.164) 36.307 6.393 ( 0.490 0.000 5.597) 5.618 6.507 ( -3.868 0.000 4.459) 5.903 7.031 ( -0.511 0.000 -9.694) 9.707 7.401 ( -18.757 0.000 -10.025) 21.268 9.110 ( 2.258 0.000 -12.744) 12.942 9.219 ( -3.064 0.000 -10.772) 11.200 10.736 ( 4.492 0.000 2.409) 5.098 10.809 ( 0.155 0.000 6.232) 6.234 11.400 ( 19.525 0.000 -5.759) 20.357 12.057 ( -14.905 0.000 -1.920) 15.029 ======================= Grid point 368 (114/288) ======================= q-point: (-0.50 0.00 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.816 ( -4.160 0.000 10.349) 11.153 2.816 ( 4.160 0.000 10.349) 11.153 3.202 ( -31.309 0.000 -3.693) 31.527 3.202 ( 31.309 0.000 -3.693) 31.527 5.154 ( -7.821 0.000 10.718) 13.268 5.154 ( 7.821 0.000 10.718) 13.268 5.883 ( -16.571 0.000 34.412) 38.194 5.883 ( 16.571 0.000 34.412) 38.194 6.432 ( -3.435 0.000 3.549) 4.939 6.432 ( 3.435 0.000 3.549) 4.939 7.120 ( -9.922 0.000 -11.346) 15.073 7.120 ( 9.922 0.000 -11.346) 15.073 9.160 ( -2.942 0.000 -11.691) 12.055 9.160 ( 2.942 0.000 -11.691) 12.055 10.794 ( -1.747 0.000 4.819) 5.126 10.794 ( 1.747 0.000 4.819) 5.126 11.752 ( -17.101 0.000 -4.558) 17.698 11.752 ( 17.101 0.000 -4.558) 17.698 ======================= Grid point 374 (115/288) ======================= q-point: ( 0.00 0.10 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( 0.000 -6.899 33.817) 34.513 2.231 ( 0.000 12.257 34.148) 36.281 2.600 ( 0.000 3.018 23.113) 23.309 3.911 ( 0.000 16.484 55.285) 57.690 4.233 ( 0.000 -0.293 -10.779) 10.782 4.439 ( 0.000 18.207 -13.004) 22.374 5.923 ( 0.000 -20.422 -10.321) 22.882 6.352 ( 0.000 -1.319 30.703) 30.731 6.392 ( 0.000 0.557 8.190) 8.209 6.511 ( 0.000 6.246 6.423) 8.959 7.568 ( 0.000 -9.818 2.427) 10.113 8.651 ( 0.000 -21.577 -10.563) 24.024 9.010 ( 0.000 1.366 -13.198) 13.268 9.249 ( 0.000 6.555 -11.948) 13.627 10.228 ( 0.000 8.977 -3.227) 9.539 10.282 ( 0.000 14.439 -5.187) 15.342 10.743 ( 0.000 0.952 10.558) 10.601 12.809 ( 0.000 -9.765 1.774) 9.925 ======================= Grid point 375 (116/288) ======================= q-point: ( 0.10 0.10 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.034 ( -0.074 -4.975 32.125) 32.508 2.218 ( 3.912 6.832 29.551) 30.582 2.651 ( 3.839 4.280 23.537) 24.229 4.066 ( 15.100 15.605 53.812) 58.028 4.228 ( -0.558 -0.996 -10.956) 11.015 4.574 ( 12.647 12.361 -11.864) 21.296 5.788 ( -14.412 -14.709 -12.040) 23.854 6.257 ( -3.272 -2.939 21.314) 21.763 6.436 ( 0.857 0.761 17.184) 17.222 6.580 ( 4.848 5.180 7.863) 10.591 7.431 ( -13.045 -12.953 0.402) 18.387 8.480 ( -12.611 -13.485 -7.387) 19.886 9.094 ( 4.838 4.335 -13.473) 14.957 9.356 ( 7.215 7.906 -14.105) 17.707 10.188 ( 2.475 2.938 -3.995) 5.542 10.425 ( 9.562 10.261 -3.978) 14.579 10.757 ( 1.418 1.087 10.448) 10.600 12.726 ( -8.169 -8.658 2.631) 12.190 ======================= Grid point 376 (117/288) ======================= q-point: ( 0.20 0.10 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( 3.073 -0.796 24.070) 24.278 2.403 ( 12.127 -2.634 22.225) 25.455 2.727 ( 4.490 5.567 21.994) 23.127 4.206 ( -0.917 -1.776 -5.867) 6.198 4.443 ( 21.875 10.218 47.648) 53.416 4.836 ( 11.836 -0.398 -7.904) 14.239 5.420 ( -21.076 -7.428 -12.232) 25.475 6.234 ( -0.526 -4.137 21.270) 21.675 6.442 ( 0.005 2.347 15.165) 15.345 6.644 ( 1.542 5.154 9.573) 10.981 7.143 ( -14.742 -16.746 -4.769) 22.815 8.239 ( -12.641 -0.563 -3.751) 13.198 9.162 ( 2.219 8.261 -14.595) 16.917 9.401 ( -2.262 11.437 -13.249) 17.648 10.358 ( 12.855 -5.387 -4.799) 14.741 10.629 ( 12.245 2.433 -4.333) 13.215 10.794 ( 2.502 1.197 10.670) 11.024 12.525 ( -12.084 -6.577 3.110) 14.105 ======================= Grid point 377 (118/288) ======================= q-point: ( 0.30 0.10 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.204 ( 15.045 -2.789 12.350) 19.664 2.605 ( 8.480 -1.101 15.851) 18.011 2.828 ( 5.204 3.909 16.917) 18.126 4.152 ( -7.837 -2.466 -3.521) 8.938 4.793 ( -2.546 -6.863 15.477) 17.121 4.879 ( 9.515 -7.249 20.020) 23.321 5.246 ( 5.947 -3.159 -2.209) 7.087 6.163 ( -8.751 -8.262 27.294) 29.830 6.445 ( 0.767 2.326 9.715) 10.019 6.639 ( -1.632 6.250 9.245) 11.278 6.965 ( -1.948 -7.189 -9.108) 11.766 7.981 ( -14.691 12.508 -3.157) 19.551 9.180 ( -0.048 9.590 -14.997) 17.801 9.329 ( -4.128 6.692 -11.403) 13.851 10.572 ( 8.549 -4.161 -1.289) 9.595 10.795 ( 1.981 -0.222 3.205) 3.775 10.968 ( 18.089 -3.999 -0.171) 18.527 12.280 ( -13.427 -5.194 1.457) 14.470 ======================= Grid point 378 (119/288) ======================= q-point: ( 0.40 0.10 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.582 ( 22.030 -5.542 2.216) 22.825 2.760 ( 10.016 3.417 12.355) 16.268 2.880 ( -0.331 1.977 10.483) 10.673 3.780 ( -28.790 -1.443 -4.954) 29.248 4.781 ( 8.381 -17.929 3.239) 20.055 5.081 ( 3.085 -10.330 18.837) 21.704 5.432 ( 11.658 -10.414 20.611) 25.869 5.918 ( -14.674 -18.392 27.980) 36.558 6.479 ( 2.622 5.894 9.107) 11.160 6.596 ( -2.757 8.312 10.120) 13.383 7.063 ( 10.960 9.671 -9.621) 17.499 7.673 ( -17.259 20.455 -5.139) 27.252 9.179 ( 0.425 7.035 -13.792) 15.488 9.258 ( -3.301 4.037 -11.241) 12.392 10.697 ( 4.927 -3.624 2.172) 6.490 10.802 ( -0.777 -1.168 5.088) 5.278 11.342 ( 19.643 -5.712 -3.931) 20.831 12.009 ( -14.995 -4.911 -1.231) 15.827 ======================= Grid point 379 (120/288) ======================= q-point: (-0.50 0.10 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.819 ( -5.735 0.130 7.978) 9.826 2.819 ( 5.735 0.130 7.978) 9.826 3.189 ( -30.555 -1.085 -1.797) 30.627 3.189 ( 30.555 -1.085 -1.797) 30.627 4.993 ( -10.488 -15.963 8.095) 20.745 4.993 ( 10.488 -15.963 8.095) 20.745 5.659 ( -12.158 -18.351 28.631) 36.115 5.659 ( 12.158 -18.351 28.631) 36.115 6.537 ( -3.257 8.439 10.273) 13.688 6.537 ( 3.257 8.439 10.273) 13.688 7.339 ( -16.855 19.709 -7.979) 27.133 7.339 ( 16.855 19.709 -7.979) 27.133 9.204 ( -2.164 4.531 -12.239) 13.229 9.204 ( 2.164 4.531 -12.239) 13.229 10.769 ( -2.717 -2.632 4.199) 5.652 10.769 ( 2.717 -2.632 4.199) 5.652 11.699 ( -17.440 -5.322 -3.364) 18.542 11.699 ( 17.440 -5.322 -3.364) 18.542 ======================= Grid point 385 (121/288) ======================= q-point: ( 0.00 0.20 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.954 ( 0.000 3.344 24.503) 24.730 2.514 ( 0.000 15.456 26.457) 30.641 2.643 ( 0.000 1.786 21.361) 21.436 4.231 ( 0.000 0.009 -7.408) 7.408 4.328 ( 0.000 25.433 51.735) 57.648 4.835 ( 0.000 21.095 -13.648) 25.126 5.473 ( 0.000 -25.331 -10.823) 27.546 6.316 ( 0.000 -2.518 31.327) 31.428 6.402 ( 0.000 0.383 8.394) 8.403 6.583 ( 0.000 1.440 6.139) 6.306 7.345 ( 0.000 -12.352 -0.220) 12.354 8.222 ( 0.000 -22.841 -8.727) 24.451 9.036 ( 0.000 1.278 -13.791) 13.850 9.305 ( 0.000 0.153 -10.707) 10.708 10.430 ( 0.000 11.031 -2.614) 11.337 10.622 ( 0.000 18.718 -8.420) 20.524 10.775 ( 0.000 3.202 10.648) 11.119 12.573 ( 0.000 -13.972 3.451) 14.392 ======================= Grid point 386 (122/288) ======================= q-point: ( 0.10 0.20 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.971 ( 1.107 1.913 24.485) 24.585 2.446 ( -2.477 13.605 22.076) 26.049 2.719 ( 4.905 3.368 22.407) 23.184 4.202 ( -1.635 -0.857 -5.799) 6.086 4.449 ( 9.778 21.990 47.681) 53.410 4.829 ( 0.052 11.565 -7.829) 13.966 5.418 ( -7.286 -21.069 -12.531) 25.574 6.238 ( -4.373 -0.507 21.268) 21.719 6.439 ( 2.317 -0.197 15.075) 15.253 6.650 ( 4.951 1.858 9.648) 11.002 7.146 ( -16.811 -14.543 -4.802) 22.741 8.228 ( 0.145 -12.996 -3.533) 13.468 9.154 ( 8.762 1.902 -14.639) 17.167 9.406 ( 10.512 -2.103 -12.957) 16.816 10.363 ( -5.189 12.639 -4.689) 14.445 10.647 ( 1.626 13.151 -5.020) 14.170 10.788 ( 1.412 2.444 10.625) 10.993 12.512 ( -6.084 -12.891 3.566) 14.693 ======================= Grid point 387 (123/288) ======================= q-point: ( 0.20 0.20 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.991 ( 2.254 -0.279 22.729) 22.842 2.499 ( 7.603 10.351 14.188) 19.138 2.806 ( 4.329 3.146 20.894) 21.569 4.159 ( -3.078 -3.258 -8.319) 9.449 4.638 ( 8.226 8.158 38.121) 39.842 4.854 ( 1.555 1.662 9.992) 10.248 5.161 ( -17.517 -17.735 -13.239) 28.225 6.169 ( -6.865 -6.724 24.019) 25.870 6.451 ( -0.426 -0.772 8.353) 8.400 6.728 ( 2.769 3.209 13.022) 13.694 6.909 ( -2.702 -2.527 -8.575) 9.339 8.222 ( -0.866 -1.366 0.438) 1.676 9.284 ( 4.693 4.637 -14.362) 15.804 9.602 ( 4.987 4.418 -16.592) 17.879 10.324 ( 3.798 4.467 -6.081) 8.447 10.681 ( 2.575 3.515 -1.018) 4.475 10.823 ( 2.165 1.862 10.705) 11.079 12.355 ( -10.025 -10.827 3.237) 15.107 ======================= Grid point 388 (124/288) ======================= q-point: ( 0.30 0.20 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.120 ( 12.124 -3.956 15.182) 19.827 2.679 ( 9.874 8.021 8.052) 15.056 2.888 ( 3.934 2.583 15.954) 16.633 4.083 ( -6.166 -4.961 -3.995) 8.865 4.554 ( -19.824 -13.051 -0.173) 23.735 4.818 ( 0.484 -6.304 19.465) 20.466 5.047 ( 5.247 -13.935 14.607) 20.859 5.883 ( -19.496 -19.802 25.186) 37.504 6.516 ( 5.961 6.593 8.083) 12.014 6.756 ( 0.273 4.906 14.526) 15.334 7.045 ( 14.243 13.789 -6.820) 20.965 8.184 ( -3.703 8.508 0.601) 9.299 9.337 ( 0.878 6.014 -13.906) 15.177 9.547 ( -8.050 13.513 -15.960) 22.408 10.484 ( 9.148 -3.980 -4.562) 10.970 10.748 ( 2.723 -4.572 -0.768) 5.377 10.911 ( 9.749 -1.159 9.507) 13.666 12.137 ( -12.583 -9.490 2.005) 15.888 ======================= Grid point 389 (125/288) ======================= q-point: ( 0.40 0.20 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.452 ( 21.361 -6.773 5.623) 23.104 2.864 ( 10.266 7.046 4.616) 13.279 2.923 ( -1.136 2.545 9.461) 9.863 3.738 ( -29.179 -3.118 -2.097) 29.420 4.388 ( 5.190 -21.741 2.125) 22.453 4.781 ( -6.007 -21.495 5.698) 23.035 5.172 ( 6.787 -14.102 27.086) 31.282 5.533 ( -15.456 -19.388 27.363) 36.926 6.624 ( 4.813 8.305 13.014) 16.171 6.743 ( -1.543 6.365 15.263) 16.609 7.387 ( 20.139 21.750 -6.272) 30.299 8.051 ( -10.779 18.131 -1.408) 21.140 9.330 ( -1.036 6.544 -13.248) 14.812 9.392 ( -6.472 10.777 -14.394) 19.111 10.616 ( 5.186 -4.316 0.443) 6.762 10.751 ( -1.702 -4.283 2.465) 5.226 11.204 ( 18.417 -7.919 1.713) 20.121 11.872 ( -15.145 -9.223 0.555) 17.741 ======================= Grid point 390 (126/288) ======================= q-point: (-0.50 0.20 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.810 ( -11.860 -1.349 1.869) 12.082 2.810 ( 11.860 -1.349 1.869) 12.082 3.177 ( -25.053 0.311 3.397) 25.284 3.177 ( 25.053 0.311 3.397) 25.284 4.589 ( -12.592 -24.886 3.558) 28.117 4.589 ( 12.592 -24.886 3.558) 28.117 5.311 ( -8.415 -16.659 28.555) 34.114 5.311 ( 8.415 -16.659 28.555) 34.114 6.699 ( -3.072 7.692 14.935) 17.078 6.699 ( 3.072 7.692 14.935) 17.078 7.767 ( -18.329 23.409 -4.173) 30.023 7.767 ( 18.329 23.409 -4.173) 30.023 9.323 ( -1.008 7.343 -13.224) 15.159 9.323 ( 1.008 7.343 -13.224) 15.159 10.699 ( -3.569 -4.414 2.477) 6.194 10.699 ( 3.569 -4.414 2.477) 6.194 11.557 ( -17.740 -9.254 -0.081) 20.008 11.557 ( 17.740 -9.254 -0.081) 20.008 ======================= Grid point 396 (127/288) ======================= q-point: ( 0.00 0.30 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.163 ( 0.000 18.252 11.723) 21.692 2.682 ( 0.000 2.502 17.793) 17.968 2.760 ( 0.000 9.058 17.893) 20.055 4.189 ( 0.000 -7.694 -3.562) 8.478 4.827 ( 0.000 25.043 48.232) 54.346 5.039 ( 0.000 -15.888 -8.633) 18.082 5.201 ( 0.000 16.847 -8.776) 18.996 6.251 ( 0.000 -4.547 32.575) 32.891 6.401 ( 0.000 -0.605 8.025) 8.048 6.573 ( 0.000 -2.233 5.902) 6.310 7.133 ( 0.000 -8.864 -5.228) 10.291 7.789 ( 0.000 -22.113 -8.348) 23.637 9.062 ( 0.000 1.560 -13.374) 13.465 9.278 ( 0.000 -2.554 -10.400) 10.709 10.619 ( 0.000 8.273 -0.505) 8.289 10.779 ( 0.000 1.882 5.942) 6.232 11.043 ( 0.000 19.890 -5.374) 20.603 12.298 ( 0.000 -14.450 2.319) 14.635 ======================= Grid point 397 (128/288) ======================= q-point: ( 0.10 0.30 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.154 ( -1.305 17.152 12.359) 21.181 2.653 ( -0.677 7.208 14.914) 16.578 2.804 ( 3.237 5.284 18.113) 19.143 4.164 ( -2.461 -5.959 -2.833) 7.043 4.790 ( -8.228 -5.299 11.128) 14.819 4.875 ( -6.474 11.078 23.540) 26.810 5.240 ( -2.936 5.899 -1.920) 6.863 6.167 ( -8.108 -8.698 27.100) 29.594 6.438 ( 1.960 0.616 9.400) 9.621 6.649 ( 6.268 -1.685 9.419) 11.439 6.970 ( -7.344 -1.965 -9.050) 11.819 7.966 ( 12.620 -14.721 -2.792) 19.590 9.169 ( 9.881 -0.025 -14.900) 17.878 9.338 ( 6.421 -4.050 -11.337) 13.644 10.572 ( -4.157 8.543 -1.192) 9.575 10.793 ( 0.611 1.575 4.309) 4.629 10.990 ( -4.929 18.242 -2.065) 19.009 12.252 ( -4.707 -14.010 2.365) 14.967 ======================= Grid point 398 (129/288) ======================= q-point: ( 0.20 0.30 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( -2.032 13.755 14.279) 19.930 2.704 ( 6.121 9.468 7.037) 13.291 2.868 ( 3.442 3.548 17.667) 18.346 4.093 ( -5.291 -4.197 -4.130) 7.916 4.556 ( -11.899 -21.014 1.456) 24.193 4.802 ( -7.794 -1.085 15.472) 17.359 5.044 ( -13.346 5.619 17.299) 22.560 5.889 ( -19.864 -19.104 25.107) 37.281 6.509 ( 6.941 5.731 7.909) 11.982 6.762 ( 4.571 0.456 14.528) 15.237 7.045 ( 13.519 14.013 -6.739) 20.605 8.174 ( 8.920 -4.206 0.925) 9.905 9.341 ( 6.482 1.259 -14.406) 15.847 9.539 ( 12.970 -7.964 -15.256) 21.550 10.490 ( -3.571 9.074 -4.493) 10.736 10.760 ( -4.622 2.643 -0.679) 5.367 10.909 ( -1.876 10.095 8.821) 13.536 12.123 ( -8.719 -13.235 2.422) 16.033 ======================= Grid point 399 (130/288) ======================= q-point: ( 0.30 0.30 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( 6.053 7.289 13.158) 16.214 2.858 ( 8.774 9.230 -1.607) 12.836 2.939 ( 3.843 3.011 15.310) 16.070 3.965 ( -7.577 -6.616 -4.124) 10.871 4.296 ( -21.792 -18.796 12.619) 31.423 4.480 ( -14.993 -20.031 -12.333) 27.895 4.938 ( -0.342 -0.159 33.337) 33.339 5.507 ( -18.457 -17.975 27.103) 37.395 6.657 ( 7.143 6.877 13.396) 16.667 6.821 ( 1.792 2.068 16.648) 16.871 7.398 ( 21.841 21.532 -5.386) 31.139 8.313 ( 5.446 4.901 0.783) 7.369 9.420 ( 1.991 2.685 -13.366) 13.778 9.694 ( 0.521 -0.478 -17.104) 17.118 10.479 ( 3.089 4.217 -8.074) 9.619 10.674 ( -2.751 -2.053 1.735) 3.846 10.921 ( 3.208 2.587 12.431) 13.097 11.923 ( -12.089 -12.802 2.494) 17.783 ======================= Grid point 400 (131/288) ======================= q-point: ( 0.40 0.30 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.373 ( 18.277 -0.252 7.381) 19.713 2.978 ( -1.668 3.838 -0.458) 4.210 3.015 ( 7.686 7.448 3.343) 11.212 3.652 ( -28.336 -6.267 4.781) 29.412 3.981 ( -0.643 -20.392 3.673) 20.730 4.287 ( -9.390 -27.443 -3.882) 29.264 4.961 ( 2.549 -7.787 31.130) 32.190 5.211 ( -12.120 -14.202 30.256) 35.553 6.763 ( 4.038 5.870 16.380) 17.862 6.836 ( -0.144 3.421 17.556) 17.887 7.834 ( 22.400 23.922 -4.314) 33.055 8.358 ( -1.891 13.814 -0.850) 13.969 9.431 ( -0.153 3.852 -12.463) 13.045 9.586 ( -8.723 6.987 -15.797) 19.351 10.557 ( 3.711 -0.967 -3.522) 5.207 10.653 ( -0.747 -4.993 0.263) 5.056 11.069 ( 12.618 -5.593 9.211) 16.593 11.663 ( -14.925 -12.450 2.913) 19.653 ======================= Grid point 401 (132/288) ======================= q-point: (-0.50 0.30 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.774 ( -19.869 -1.832 -1.607) 20.018 2.774 ( 19.869 -1.832 -1.607) 20.018 3.206 ( -14.673 2.541 6.749) 16.350 3.206 ( 14.673 2.541 6.749) 16.350 4.094 ( -9.787 -25.517 0.749) 27.340 4.094 ( 9.787 -25.517 0.749) 27.340 5.040 ( -6.093 -11.485 30.873) 33.499 5.040 ( 6.093 -11.485 30.873) 33.499 6.818 ( -1.799 4.655 17.513) 18.210 6.818 ( 1.799 4.655 17.513) 18.210 8.202 ( -14.577 21.481 -2.866) 26.118 8.202 ( 14.577 21.481 -2.866) 26.118 9.455 ( -3.825 5.536 -13.360) 14.959 9.455 ( 3.825 5.536 -13.360) 14.959 10.618 ( -2.719 -3.272 -0.243) 4.261 10.618 ( 2.719 -3.272 -0.243) 4.261 11.360 ( -16.340 -10.924 4.560) 20.177 11.360 ( 16.340 -10.924 4.560) 20.177 ======================= Grid point 407 (133/288) ======================= q-point: ( 0.00 0.40 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.621 ( 0.000 28.312 0.555) 28.317 2.743 ( 0.000 4.139 14.676) 15.248 2.848 ( 0.000 0.657 11.998) 12.016 3.827 ( 0.000 -28.356 -5.368) 28.860 4.979 ( 0.000 7.180 1.582) 7.353 5.179 ( 0.000 8.286 27.301) 28.531 5.523 ( 0.000 18.736 16.755) 25.135 6.126 ( 0.000 -9.154 35.006) 36.184 6.391 ( 0.000 0.267 5.355) 5.362 6.509 ( 0.000 -4.179 4.579) 6.199 7.036 ( 0.000 -0.646 -9.580) 9.602 7.395 ( 0.000 -18.287 -9.910) 20.799 9.099 ( 0.000 2.402 -12.505) 12.733 9.219 ( 0.000 -3.441 -10.820) 11.354 10.741 ( 0.000 4.463 2.310) 5.025 10.801 ( 0.000 0.554 6.199) 6.224 11.410 ( 0.000 18.100 -5.939) 19.049 12.022 ( 0.000 -14.553 -0.762) 14.573 ======================= Grid point 408 (134/288) ======================= q-point: ( 0.10 0.40 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.591 ( -3.545 26.295 0.849) 26.547 2.764 ( 2.770 6.527 12.359) 14.248 2.866 ( 1.829 0.416 11.738) 11.887 3.819 ( -0.862 -28.616 -4.456) 28.973 4.765 ( -18.953 8.714 2.494) 21.009 5.073 ( -11.331 2.886 17.860) 21.347 5.430 ( -10.295 11.857 21.996) 27.026 5.921 ( -17.877 -14.788 27.795) 36.206 6.472 ( 5.591 2.770 8.750) 10.747 6.602 ( 8.565 -3.102 10.238) 13.704 7.064 ( 9.178 10.581 -9.422) 16.881 7.660 ( 19.919 -17.052 -4.770) 26.651 9.172 ( 7.353 0.800 -13.665) 15.538 9.265 ( 4.582 -3.533 -11.376) 12.762 10.699 ( -3.673 5.014 2.191) 6.590 10.801 ( -0.718 -0.566 5.174) 5.254 11.349 ( -6.036 18.403 -4.280) 19.835 11.978 ( -4.542 -14.749 -0.293) 15.435 ======================= Grid point 409 (135/288) ======================= q-point: ( 0.20 0.40 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.494 ( -5.801 24.064 3.185) 24.957 2.854 ( 6.299 7.391 3.354) 10.274 2.917 ( 3.426 0.837 12.290) 12.786 3.790 ( -2.382 -29.301 -1.711) 29.447 4.353 ( -22.445 4.928 1.931) 23.061 4.747 ( -23.027 -6.463 4.501) 24.337 5.173 ( -13.843 6.941 28.416) 32.361 5.544 ( -19.246 -15.440 27.273) 36.777 6.617 ( 8.590 5.122 12.917) 16.336 6.749 ( 6.240 -1.695 15.263) 16.576 7.378 ( 21.294 19.505 -5.994) 29.492 8.033 ( 18.168 -11.138 -0.859) 21.327 9.340 ( 7.775 -0.858 -14.189) 16.202 9.394 ( 9.723 -5.712 -13.677) 17.726 10.622 ( -3.882 5.253 0.516) 6.552 10.760 ( -3.753 -1.796 2.794) 5.012 11.201 ( -8.611 17.850 1.152) 19.852 11.851 ( -8.659 -15.188 1.029) 17.513 ======================= Grid point 410 (136/288) ======================= q-point: ( 0.30 0.40 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.411 ( -1.558 20.520 5.659) 21.343 2.981 ( 6.001 0.690 -6.768) 9.071 3.006 ( 6.098 5.727 10.212) 13.201 3.710 ( -6.835 -29.733 6.033) 31.099 3.941 ( -20.172 -0.914 3.852) 20.557 4.240 ( -26.664 -9.948 -5.169) 28.925 4.964 ( -7.864 2.709 31.496) 32.576 5.219 ( -14.608 -11.935 30.234) 35.636 6.762 ( 6.034 4.134 16.381) 17.940 6.839 ( 3.213 -0.113 17.523) 17.816 7.823 ( 24.221 21.733 -4.056) 32.794 8.346 ( 14.371 -2.529 -0.461) 14.599 9.444 ( 3.306 0.268 -12.809) 13.231 9.580 ( 7.021 -8.183 -15.606) 18.968 10.571 ( -0.830 3.827 -3.388) 5.179 10.665 ( -5.328 -0.310 -0.153) 5.340 11.057 ( -5.580 12.259 9.334) 16.388 11.652 ( -11.868 -15.308 3.025) 19.605 ======================= Grid point 411 (137/288) ======================= q-point: ( 0.40 0.40 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.478 ( 9.193 11.529 6.474) 16.104 3.053 ( -5.725 -0.424 -14.060) 15.187 3.104 ( 7.093 2.618 5.037) 9.085 3.489 ( -14.492 -10.877 22.763) 29.094 3.636 ( -8.058 -11.981 -0.074) 14.439 3.854 ( -13.429 -16.018 -9.169) 22.825 4.867 ( -2.372 -2.198 32.417) 32.577 4.990 ( -9.090 -8.796 32.522) 34.896 6.846 ( 2.876 2.885 18.204) 18.655 6.878 ( 0.959 1.053 18.671) 18.726 8.268 ( 20.971 20.307 -3.658) 29.420 8.563 ( 7.182 6.586 -1.898) 9.928 9.472 ( 0.310 0.872 -11.611) 11.648 9.606 ( -4.084 -4.338 -14.308) 15.499 10.589 ( 1.313 2.644 -9.031) 9.501 10.597 ( -0.931 -0.242 -0.187) 0.980 11.018 ( 2.427 1.412 13.980) 14.259 11.406 ( -13.465 -14.001 5.792) 20.271 ======================= Grid point 412 (138/288) ======================= q-point: (-0.50 0.40 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.758 ( -18.797 0.302 1.312) 18.845 2.758 ( 18.797 0.302 1.312) 18.845 3.267 ( -9.791 3.863 4.868) 11.597 3.267 ( 9.791 3.863 4.868) 11.597 3.657 ( -7.580 -19.183 -1.004) 20.651 3.657 ( 7.580 -19.183 -1.004) 20.651 4.873 ( -3.153 -5.902 33.066) 33.736 4.873 ( 3.153 -5.902 33.066) 33.736 6.879 ( -0.765 1.942 18.892) 19.007 6.879 ( 0.765 1.942 18.892) 19.007 8.564 ( -8.223 15.312 -3.302) 17.691 8.564 ( 8.223 15.312 -3.302) 17.691 9.504 ( -4.130 -0.561 -11.962) 12.667 9.504 ( 4.130 -0.561 -11.962) 12.667 10.598 ( -0.768 1.274 -4.815) 5.039 10.598 ( 0.768 1.274 -4.815) 5.039 11.159 ( -11.390 -9.229 10.181) 17.847 11.159 ( 11.390 -9.229 10.181) 17.847 ======================= Grid point 418 (139/288) ======================= q-point: ( 0.00 -0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.814 ( 0.000 -3.478 10.723) 11.273 2.814 ( 0.000 3.478 10.723) 11.273 3.223 ( 0.000 -32.724 -3.779) 32.942 3.223 ( 0.000 32.724 -3.779) 32.942 5.156 ( 0.000 -8.006 10.362) 13.095 5.156 ( 0.000 8.006 10.362) 13.095 5.881 ( 0.000 -16.570 34.563) 38.330 5.881 ( 0.000 16.570 34.563) 38.330 6.429 ( 0.000 -3.608 3.346) 4.921 6.429 ( 0.000 3.608 3.346) 4.921 7.121 ( 0.000 -9.639 -11.221) 14.793 7.121 ( 0.000 9.639 -11.221) 14.793 9.154 ( 0.000 -3.227 -11.593) 12.033 9.154 ( 0.000 3.227 -11.593) 12.033 10.795 ( 0.000 -1.389 4.732) 4.932 10.795 ( 0.000 1.389 4.732) 4.932 11.733 ( 0.000 -15.812 -3.944) 16.297 11.733 ( 0.000 15.812 -3.944) 16.297 ======================= Grid point 420 (140/288) ======================= q-point: ( 0.10 -0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.824 ( 0.903 -4.076 7.904) 8.939 2.824 ( 0.903 4.076 7.904) 8.939 3.212 ( -1.008 -32.445 -1.656) 32.503 3.212 ( -1.008 32.445 -1.656) 32.503 4.984 ( -17.138 -10.670 7.489) 21.532 4.984 ( -17.138 10.670 7.489) 21.532 5.660 ( -18.066 -12.308 29.023) 36.335 5.660 ( -18.066 12.308 29.023) 36.335 6.535 ( 8.598 -3.643 10.234) 13.854 6.535 ( 8.598 3.643 10.234) 13.854 7.333 ( 18.965 -16.457 -7.729) 26.272 7.333 ( 18.965 16.457 -7.729) 26.272 9.205 ( 5.153 -2.556 -12.279) 13.559 9.205 ( 5.153 2.556 -12.279) 13.559 10.771 ( -2.477 -2.628 4.206) 5.543 10.771 ( -2.477 2.628 4.206) 5.543 11.682 ( -5.250 -16.340 -2.922) 17.410 11.682 ( -5.250 16.340 -2.922) 17.410 ======================= Grid point 422 (141/288) ======================= q-point: ( 0.20 -0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.839 ( 0.352 -8.129 -0.045) 8.136 2.839 ( 0.352 8.129 -0.045) 8.136 3.194 ( -0.539 -28.727 4.967) 29.158 3.194 ( -0.539 28.727 4.967) 29.158 4.553 ( -26.128 -12.530 2.966) 29.129 4.553 ( -26.128 12.530 2.966) 29.129 5.317 ( -16.427 -8.817 29.057) 34.523 5.317 ( -16.427 8.817 29.057) 34.523 6.700 ( 7.787 -3.463 14.942) 17.202 6.700 ( 7.787 3.463 14.942) 17.202 7.748 ( 22.992 -18.044 -3.673) 29.457 7.748 ( 22.992 18.044 -3.673) 29.457 9.334 ( 7.655 -0.916 -13.459) 15.511 9.334 ( 7.655 0.916 -13.459) 15.511 10.706 ( -4.029 -3.656 2.638) 6.046 10.706 ( -4.029 3.656 2.638) 6.046 11.541 ( -9.193 -17.164 0.019) 19.471 11.541 ( -9.193 17.164 0.019) 19.471 ======================= Grid point 424 (142/288) ======================= q-point: ( 0.30 -0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.828 ( -1.487 -17.962 -6.185) 19.055 2.828 ( -1.487 17.962 -6.185) 19.055 3.202 ( 1.612 -17.738 11.247) 21.065 3.202 ( 1.612 17.738 11.247) 21.065 4.049 ( -25.080 -9.357 0.050) 26.769 4.049 ( -25.080 9.357 0.050) 26.769 5.047 ( -11.643 -6.302 31.153) 33.850 5.047 ( -11.643 6.302 31.153) 33.850 6.819 ( 4.617 -1.955 17.499) 18.203 6.819 ( 4.617 1.955 17.499) 18.203 8.183 ( 21.877 -14.556 -2.361) 26.383 8.183 ( 21.877 14.556 -2.361) 26.383 9.466 ( 5.146 -3.101 -13.609) 14.876 9.466 ( 5.146 3.101 -13.609) 14.876 10.633 ( -3.020 -2.751 -0.164) 4.088 10.633 ( -3.020 2.751 -0.164) 4.088 11.345 ( -10.776 -16.400 4.538) 20.141 11.345 ( -10.776 16.400 4.538) 20.141 ======================= Grid point 426 (143/288) ======================= q-point: ( 0.40 -0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.791 ( -2.006 -19.376 -1.025) 19.506 2.791 ( -2.006 19.376 -1.025) 19.506 3.257 ( 4.225 -11.063 8.197) 14.403 3.257 ( 4.225 11.063 8.197) 14.403 3.636 ( -17.373 -7.690 -2.311) 19.139 3.636 ( -17.373 7.690 -2.311) 19.139 4.876 ( -6.122 -3.190 33.152) 33.863 4.876 ( -6.122 3.190 33.152) 33.863 6.880 ( 1.888 -0.788 18.884) 18.994 6.880 ( 1.888 0.788 18.884) 18.994 8.556 ( 15.959 -8.261 -3.064) 18.230 8.556 ( 15.959 8.261 -3.064) 18.230 9.506 ( -0.840 -3.865 -12.085) 12.716 9.506 ( -0.840 3.865 -12.085) 12.716 10.609 ( 0.621 -0.997 -4.997) 5.133 10.609 ( 0.621 0.997 -4.997) 5.133 11.151 ( -8.698 -11.608 10.342) 17.814 11.151 ( -8.698 11.608 10.342) 17.814 ======================= Grid point 428 (144/288) ======================= q-point: (-0.50 -0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.768 ( 0.000 0.000 5.002) 5.002 2.768 ( 0.000 0.000 5.002) 5.002 3.356 ( -0.000 -0.000 -1.896) 1.896 3.356 ( 0.000 0.000 -1.896) 1.896 3.410 ( -0.000 -0.000 2.074) 2.074 3.410 ( -0.000 0.000 2.074) 2.074 4.817 ( 0.000 0.000 34.007) 34.007 4.817 ( 0.000 0.000 34.007) 34.007 6.897 ( 0.000 0.000 19.316) 19.316 6.897 ( 0.000 0.000 19.316) 19.316 8.727 ( -0.000 -0.000 -3.872) 3.872 8.727 ( 0.000 0.000 -3.872) 3.872 9.481 ( 0.000 0.000 -10.776) 10.776 9.481 ( 0.000 0.000 -10.776) 10.776 10.627 ( 0.000 0.000 -9.252) 9.252 10.627 ( 0.000 0.000 -9.252) 9.252 11.056 ( -0.000 -0.000 14.730) 14.730 11.056 ( 0.000 0.000 14.730) 14.730 ======================= Grid point 484 (145/288) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.840 ( 0.000 0.000 36.492) 36.492 2.840 ( 0.000 0.000 36.517) 36.517 3.024 ( 0.000 0.000 25.079) 25.079 4.040 ( 0.000 0.000 -7.418) 7.418 4.045 ( 0.000 0.000 -7.445) 7.445 4.832 ( 0.000 0.000 51.979) 51.979 5.859 ( 0.000 0.000 -18.040) 18.040 6.459 ( 0.000 0.000 -1.280) 1.280 6.461 ( 0.000 0.000 -1.311) 1.311 6.976 ( 0.000 0.000 26.527) 26.527 7.739 ( 0.000 0.000 4.058) 4.058 8.756 ( 0.000 0.000 -11.047) 11.047 8.758 ( 0.000 0.000 -11.062) 11.062 8.790 ( 0.000 0.000 -14.731) 14.731 10.072 ( 0.000 0.000 -3.032) 3.032 10.072 ( 0.000 0.000 -3.023) 3.023 10.986 ( 0.000 0.000 15.123) 15.123 12.876 ( 0.000 0.000 -3.898) 3.898 ======================= Grid point 485 (146/288) ======================= q-point: ( 0.10 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.684 ( -11.443 0.000 31.861) 33.854 2.906 ( 6.322 0.000 33.603) 34.192 3.071 ( 1.645 0.000 25.757) 25.809 4.066 ( 2.334 0.000 -5.855) 6.303 4.216 ( 16.937 0.000 -6.968) 18.314 4.972 ( 13.867 0.000 50.556) 52.423 5.649 ( -19.156 0.000 -16.912) 25.553 6.470 ( 1.083 0.000 -0.819) 1.357 6.529 ( 4.808 0.000 -2.732) 5.530 6.957 ( -1.908 0.000 26.419) 26.488 7.625 ( -11.215 0.000 3.448) 11.733 8.467 ( -17.776 0.000 -9.129) 19.983 8.766 ( 0.833 0.000 -11.290) 11.321 8.976 ( 7.282 0.000 -14.229) 15.984 10.163 ( 8.785 0.000 -3.242) 9.364 10.178 ( 10.544 0.000 -4.300) 11.387 10.994 ( 0.890 0.000 14.677) 14.704 12.800 ( -7.622 0.000 -3.167) 8.253 ======================= Grid point 486 (147/288) ======================= q-point: ( 0.20 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.496 ( -6.836 0.000 24.260) 25.205 3.042 ( 6.711 0.000 26.123) 26.971 3.074 ( -0.713 0.000 24.426) 24.437 4.132 ( 3.764 0.000 -1.939) 4.234 4.616 ( 23.112 0.000 -7.903) 24.426 5.218 ( -23.462 0.000 -14.937) 27.813 5.320 ( 21.328 0.000 48.201) 52.709 6.496 ( 1.446 0.000 0.584) 1.559 6.588 ( 0.773 0.000 -4.774) 4.836 6.909 ( -2.895 0.000 26.351) 26.510 7.350 ( -16.397 0.000 1.083) 16.433 8.104 ( -19.852 0.000 -4.535) 20.364 8.788 ( 1.463 0.000 -11.459) 11.552 9.060 ( 1.788 0.000 -12.870) 12.994 10.368 ( 11.569 0.000 -3.461) 12.075 10.441 ( 15.752 0.000 -7.354) 17.384 11.023 ( 2.389 0.000 13.674) 13.881 12.601 ( -12.689 0.000 -1.946) 12.838 ======================= Grid point 487 (148/288) ======================= q-point: ( 0.30 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.461 ( 3.758 0.000 13.284) 13.805 3.064 ( 0.113 0.000 22.683) 22.684 3.128 ( 1.870 0.000 18.284) 18.380 4.092 ( -12.934 0.000 -4.442) 13.675 4.909 ( -3.341 0.000 -4.421) 5.542 5.045 ( 20.451 0.000 -7.459) 21.769 5.751 ( 22.830 0.000 45.264) 50.695 6.513 ( -0.153 0.000 2.955) 2.959 6.555 ( -3.983 0.000 -7.485) 8.479 6.850 ( -3.197 0.000 26.095) 26.290 7.044 ( -14.072 0.000 -3.379) 14.472 7.712 ( -20.982 0.000 0.347) 20.984 8.823 ( 2.198 0.000 -11.259) 11.471 9.058 ( -1.607 0.000 -11.172) 11.287 10.577 ( 9.801 0.000 -3.098) 10.279 10.721 ( 11.452 0.000 -8.612) 14.329 11.113 ( 8.346 0.000 10.770) 13.625 12.331 ( -15.230 0.000 -1.499) 15.303 ======================= Grid point 488 (149/288) ======================= q-point: ( 0.40 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.647 ( 15.250 0.000 2.103) 15.394 3.090 ( 2.876 0.000 19.976) 20.182 3.115 ( -3.081 0.000 13.537) 13.884 3.662 ( -27.069 0.000 -6.960) 27.950 5.066 ( 14.707 0.000 6.760) 16.186 5.343 ( 8.778 0.000 -0.354) 8.785 6.147 ( 16.095 0.000 30.430) 34.424 6.448 ( -6.792 0.000 -10.019) 12.104 6.498 ( 1.373 0.000 10.530) 10.619 6.781 ( -4.342 0.000 26.913) 27.261 6.879 ( -2.057 0.000 -6.529) 6.845 7.310 ( -20.573 0.000 3.214) 20.823 8.873 ( 3.081 0.000 -10.836) 11.265 9.009 ( -3.353 0.000 -10.362) 10.891 10.733 ( 6.430 0.000 -2.282) 6.823 10.839 ( 1.665 0.000 -3.568) 3.937 11.363 ( 16.537 0.000 2.598) 16.740 12.025 ( -16.638 0.000 -1.649) 16.719 ======================= Grid point 489 (150/288) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.976 ( -14.363 0.000 2.081) 14.513 2.976 ( 14.363 0.000 2.081) 14.513 3.219 ( -14.307 0.000 9.129) 16.972 3.219 ( 14.307 0.000 9.129) 16.972 5.329 ( -9.669 0.000 8.292) 12.737 5.329 ( 9.669 0.000 8.292) 12.737 6.319 ( -6.070 0.000 -6.669) 9.018 6.319 ( 6.070 0.000 -6.669) 9.018 6.655 ( -9.941 0.000 33.150) 34.608 6.655 ( 9.941 0.000 33.150) 34.608 6.972 ( -12.349 0.000 -3.451) 12.822 6.972 ( 12.349 0.000 -3.451) 12.822 8.939 ( -3.695 0.000 -10.411) 11.048 8.939 ( 3.695 0.000 -10.411) 11.048 10.823 ( -2.882 0.000 -1.842) 3.421 10.823 ( 2.882 0.000 -1.842) 3.421 11.696 ( -17.582 0.000 -1.056) 17.613 11.696 ( 17.582 0.000 -1.056) 17.613 ======================= Grid point 495 (151/288) ======================= q-point: ( 0.00 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.660 ( 0.000 -12.977 32.196) 34.713 2.907 ( 0.000 6.357 33.586) 34.182 3.089 ( 0.000 2.475 25.971) 26.089 4.062 ( 0.000 2.445 -5.703) 6.205 4.210 ( 0.000 16.132 -7.287) 17.701 4.977 ( 0.000 14.307 50.559) 52.544 5.643 ( 0.000 -19.561 -17.000) 25.916 6.472 ( 0.000 1.091 -0.868) 1.394 6.535 ( 0.000 5.331 -2.751) 5.999 6.957 ( 0.000 -1.902 26.519) 26.587 7.626 ( 0.000 -11.089 3.464) 11.617 8.455 ( 0.000 -18.283 -8.915) 20.341 8.763 ( 0.000 0.750 -11.218) 11.243 8.987 ( 0.000 7.585 -14.383) 16.260 10.163 ( 0.000 8.781 -3.220) 9.352 10.184 ( 0.000 11.147 -4.551) 12.040 10.990 ( 0.000 0.533 14.686) 14.696 12.799 ( 0.000 -7.800 -3.034) 8.369 ======================= Grid point 496 (152/288) ======================= q-point: ( 0.10 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.641 ( -5.057 -8.861 29.448) 31.165 2.814 ( -2.321 0.438 30.425) 30.516 3.149 ( 3.165 3.588 25.361) 25.809 4.067 ( 1.192 0.859 -3.725) 4.004 4.376 ( 15.117 14.680 -6.788) 22.138 5.098 ( 12.058 12.483 49.736) 52.678 5.502 ( -14.399 -14.863 -16.763) 26.631 6.361 ( -4.383 -4.153 -4.056) 7.274 6.673 ( 7.231 7.609 0.489) 10.508 6.947 ( -0.961 -0.956 26.073) 26.109 7.452 ( -16.348 -16.251 1.830) 23.124 8.365 ( -7.083 -7.712 -4.041) 11.224 8.827 ( 3.590 3.184 -12.886) 13.751 9.062 ( 5.887 6.635 -15.732) 18.060 10.111 ( 1.774 2.090 -3.745) 4.641 10.344 ( 9.933 10.262 -3.980) 14.826 10.999 ( 0.968 0.606 14.245) 14.290 12.729 ( -7.053 -7.232 -2.463) 10.398 ======================= Grid point 497 (153/288) ======================= q-point: ( 0.20 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.491 ( -6.985 -1.648 22.758) 23.863 2.865 ( 4.707 -8.521 24.261) 26.141 3.188 ( 1.172 4.163 22.418) 22.831 4.112 ( 3.153 -1.631 0.051) 3.550 4.697 ( 15.251 7.148 -5.584) 17.745 5.143 ( -19.435 -7.995 -14.107) 25.312 5.405 ( 18.540 7.453 46.191) 50.328 6.337 ( 1.629 -6.834 -5.467) 8.902 6.762 ( 0.838 9.420 2.021) 9.671 6.924 ( -1.285 1.298 25.658) 25.723 7.090 ( -18.679 -21.114 -0.113) 28.191 8.205 ( -10.094 5.977 0.165) 11.732 8.872 ( 1.366 6.943 -14.032) 15.715 9.126 ( 0.305 7.031 -14.672) 16.273 10.256 ( 12.287 -6.343 -5.245) 14.789 10.540 ( 10.356 5.782 -4.401) 12.651 11.030 ( 2.409 0.710 13.301) 13.536 12.543 ( -11.920 -5.915 -1.506) 13.392 ======================= Grid point 498 (154/288) ======================= q-point: ( 0.30 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.443 ( 2.827 -2.205 12.428) 12.935 2.945 ( 3.425 -7.531 18.309) 20.091 3.196 ( -0.408 3.322 18.544) 18.844 4.090 ( -11.151 -0.544 -2.189) 11.377 4.713 ( -4.031 -13.020 -4.201) 14.263 5.100 ( 11.054 -1.413 -2.520) 11.425 5.755 ( 16.189 -2.537 38.671) 41.999 6.426 ( 8.181 1.999 -1.847) 8.622 6.582 ( -18.043 -12.428 2.405) 22.041 6.884 ( -1.475 1.563 10.124) 10.350 6.925 ( -0.228 4.614 12.796) 13.604 7.965 ( -15.073 17.676 1.626) 23.287 8.890 ( 0.866 6.782 -13.672) 15.286 9.097 ( -2.717 4.221 -12.161) 13.157 10.505 ( 11.980 -6.523 -5.069) 14.552 10.726 ( 8.126 -0.116 -5.937) 10.064 11.114 ( 7.564 0.217 11.061) 13.402 12.287 ( -14.609 -4.571 -1.127) 15.349 ======================= Grid point 499 (155/288) ======================= q-point: ( 0.40 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.607 ( 13.851 -4.097 1.546) 14.527 2.992 ( 0.859 -6.399 11.364) 13.070 3.179 ( -0.522 3.346 17.061) 17.394 3.679 ( -26.092 1.457 -4.503) 26.517 4.852 ( 14.240 -18.305 5.632) 23.866 5.242 ( 1.525 -12.094 3.963) 12.818 5.975 ( 6.938 -14.791 21.795) 27.238 6.254 ( -14.065 -17.081 3.071) 22.339 6.642 ( 12.180 13.122 12.839) 22.032 6.860 ( -1.930 7.559 14.469) 16.438 6.980 ( 7.577 13.635 3.092) 15.902 7.633 ( -19.292 24.185 1.803) 30.989 8.917 ( 2.064 4.579 -12.312) 13.297 9.036 ( -3.497 2.840 -11.077) 11.958 10.687 ( 7.154 -4.572 -2.834) 8.951 10.814 ( 1.061 -2.697 -3.593) 4.617 11.344 ( 15.634 -1.843 4.071) 16.260 11.990 ( -16.281 -3.636 -1.073) 16.716 ======================= Grid point 500 (156/288) ======================= q-point: (-0.50 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.900 ( -12.549 -6.769 -0.495) 14.267 2.900 ( 12.549 -6.769 -0.495) 14.267 3.267 ( -12.972 3.940 10.203) 16.968 3.267 ( 12.972 3.940 10.203) 16.968 5.130 ( -12.316 -18.867 7.105) 23.625 5.130 ( 12.316 -18.867 7.105) 23.625 6.075 ( -5.466 -16.856 8.694) 19.738 6.075 ( 5.466 -16.856 8.694) 19.738 6.800 ( -4.690 9.969 17.843) 20.970 6.800 ( 4.690 9.969 17.843) 20.970 7.253 ( -19.143 23.915 0.423) 30.636 7.253 ( 19.143 23.915 0.423) 30.636 8.969 ( -3.282 3.130 -11.266) 12.145 8.969 ( 3.282 3.130 -11.266) 12.145 10.788 ( -3.412 -3.587 -2.085) 5.372 10.788 ( 3.412 -3.587 -2.085) 5.372 11.667 ( -17.288 -3.006 -0.056) 17.548 11.667 ( 17.288 -3.006 -0.056) 17.548 ======================= Grid point 506 (157/288) ======================= q-point: ( 0.00 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.449 ( 0.000 -7.356 25.457) 26.498 3.042 ( 0.000 6.455 25.917) 26.709 3.100 ( 0.000 -0.717 24.272) 24.283 4.136 ( 0.000 4.743 -1.242) 4.903 4.598 ( 0.000 22.717 -8.298) 24.185 5.206 ( 0.000 -23.787 -15.448) 28.364 5.331 ( 0.000 21.485 48.248) 52.815 6.498 ( 0.000 1.397 0.500) 1.484 6.600 ( 0.000 0.885 -4.755) 4.837 6.909 ( 0.000 -2.896 26.555) 26.712 7.354 ( 0.000 -16.239 1.089) 16.275 8.088 ( 0.000 -19.844 -4.312) 20.307 8.784 ( 0.000 1.383 -11.252) 11.337 9.072 ( 0.000 1.619 -12.950) 13.051 10.369 ( 0.000 11.630 -3.441) 12.129 10.458 ( 0.000 15.995 -7.896) 17.838 11.013 ( 0.000 2.248 13.627) 13.811 12.595 ( 0.000 -13.003 -1.464) 13.085 ======================= Grid point 507 (158/288) ======================= q-point: ( 0.10 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.447 ( -0.676 -7.746 23.926) 25.157 2.898 ( -8.372 5.399 23.595) 25.612 3.185 ( 3.800 0.645 22.484) 22.812 4.110 ( -1.876 3.550 0.276) 4.025 4.693 ( 8.178 15.541 -5.347) 18.358 5.128 ( -7.986 -20.145 -13.967) 25.781 5.417 ( 7.207 18.652 45.595) 49.787 6.337 ( -7.165 1.357 -5.535) 9.155 6.768 ( 9.096 1.011 1.992) 9.366 6.924 ( 1.269 -1.288 25.700) 25.764 7.093 ( -21.132 -18.396 -0.071) 28.018 8.197 ( 6.544 -10.312 0.283) 12.216 8.866 ( 7.050 1.181 -13.861) 15.595 9.134 ( 6.516 0.428 -14.683) 16.070 10.261 ( -6.395 12.369 -5.292) 14.896 10.548 ( 5.421 10.793 -4.753) 12.979 11.023 ( 1.014 2.166 13.275) 13.489 12.538 ( -5.741 -12.241 -1.159) 13.570 ======================= Grid point 508 (159/288) ======================= q-point: ( 0.20 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 704 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.403 ( -3.638 -5.969 19.478) 20.694 2.806 ( -0.553 1.778 17.028) 17.130 3.233 ( 1.353 0.874 19.053) 19.121 4.087 ( -0.411 -0.668 3.683) 3.766 4.834 ( -0.912 6.111 0.491) 6.198 4.886 ( -11.083 -18.941 -13.444) 25.736 5.547 ( 5.274 6.102 38.353) 39.192 6.348 ( 9.340 8.952 -3.276) 13.346 6.631 ( -22.318 -22.093 6.622) 32.094 6.924 ( 5.324 5.682 6.037) 9.853 6.985 ( 3.656 3.686 17.770) 18.513 8.268 ( 1.016 0.769 3.976) 4.175 8.982 ( 4.393 4.114 -15.651) 16.768 9.264 ( 3.891 3.940 -17.565) 18.417 10.210 ( 2.836 3.279 -5.431) 6.949 10.639 ( 4.189 4.638 -2.709) 6.812 11.053 ( 2.268 1.915 12.572) 12.917 12.384 ( -10.124 -10.455 -0.594) 14.565 ======================= Grid point 509 (160/288) ======================= q-point: ( 0.30 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.369 ( 1.774 -4.903 10.919) 12.100 2.842 ( 2.955 -2.693 9.213) 10.044 3.241 ( -0.359 1.435 15.914) 15.983 4.056 ( -7.113 -3.200 2.607) 8.223 4.487 ( -14.781 -10.498 -4.035) 18.574 4.934 ( 1.205 -15.703 4.911) 16.497 5.625 ( 3.469 -8.037 26.248) 27.669 6.232 ( -18.369 -18.459 8.371) 27.353 6.637 ( 17.343 16.555 8.455) 25.424 6.997 ( 2.381 6.594 8.618) 11.109 7.088 ( 7.966 11.491 11.549) 18.135 8.238 ( -4.505 10.351 4.679) 12.220 9.035 ( 1.213 6.575 -16.098) 17.431 9.232 ( -5.768 9.206 -15.865) 19.228 10.369 ( 11.585 -6.348 -6.441) 14.697 10.710 ( 2.956 -1.437 -2.480) 4.118 11.124 ( 5.856 0.913 11.405) 12.853 12.160 ( -13.106 -8.568 -0.143) 15.659 ======================= Grid point 510 (161/288) ======================= q-point: ( 0.40 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 704 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.499 ( 11.527 -6.557 0.482) 13.270 2.874 ( -0.943 -5.549 0.620) 5.662 3.237 ( 0.962 2.595 14.940) 15.194 3.703 ( -23.636 0.683 -0.804) 23.659 4.477 ( 9.083 -19.311 8.543) 22.987 4.883 ( -6.680 -24.097 7.244) 26.034 5.692 ( 3.798 -12.771 20.233) 24.226 5.943 ( -11.578 -14.506 13.121) 22.729 6.893 ( 8.164 11.723 15.497) 21.077 7.017 ( -0.281 7.728 11.847) 14.147 7.346 ( 19.080 23.034 2.839) 30.045 8.072 ( -13.226 20.354 3.498) 24.524 9.040 ( -0.066 7.387 -15.303) 16.993 9.120 ( -4.763 6.207 -13.247) 15.385 10.571 ( 8.538 -7.098 -4.579) 12.010 10.738 ( -0.391 -4.972 -2.682) 5.663 11.302 ( 12.775 -2.279 7.148) 14.815 11.887 ( -15.202 -7.011 0.560) 16.750 ======================= Grid point 511 (162/288) ======================= q-point: (-0.50 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.752 ( -12.027 -8.023 -5.406) 15.435 2.752 ( 12.027 -8.023 -5.406) 15.435 3.342 ( -11.822 3.404 10.262) 16.020 3.342 ( 11.822 3.404 10.262) 16.020 4.695 ( -11.969 -24.588 8.696) 28.696 4.695 ( 11.969 -24.588 8.696) 28.696 5.781 ( -5.927 -13.361 16.875) 22.325 5.781 ( 5.927 -13.361 16.875) 22.325 6.988 ( -2.797 9.046 14.355) 17.197 6.988 ( 2.797 9.046 14.355) 17.197 7.742 ( -20.305 25.590 2.097) 32.734 7.742 ( 20.305 25.590 2.097) 32.734 9.056 ( -2.024 5.731 -13.373) 14.690 9.056 ( 2.024 5.731 -13.373) 14.690 10.692 ( -4.280 -6.098 -2.727) 7.934 10.692 ( 4.280 -6.098 -2.727) 7.934 11.586 ( -15.931 -5.304 2.603) 16.991 11.586 ( 15.931 -5.304 2.603) 16.991 ======================= Grid point 517 (163/288) ======================= q-point: ( 0.00 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.423 ( 0.000 5.219 14.538) 15.446 3.083 ( 0.000 -0.554 22.295) 22.302 3.120 ( 0.000 1.455 17.914) 17.973 4.126 ( 0.000 -11.517 -3.324) 11.987 4.888 ( 0.000 -3.473 -5.170) 6.228 5.025 ( 0.000 20.617 -7.747) 22.024 5.763 ( 0.000 22.771 45.401) 50.791 6.512 ( 0.000 -0.388 2.832) 2.859 6.566 ( 0.000 -4.291 -7.351) 8.512 6.850 ( 0.000 -3.262 26.150) 26.352 7.050 ( 0.000 -14.036 -3.455) 14.455 7.700 ( 0.000 -20.599 0.484) 20.604 8.818 ( 0.000 2.189 -10.946) 11.163 9.065 ( 0.000 -1.969 -11.192) 11.363 10.579 ( 0.000 9.877 -3.144) 10.365 10.731 ( 0.000 10.499 -8.388) 13.438 11.109 ( 0.000 9.100 9.996) 13.518 12.319 ( 0.000 -15.470 -0.644) 15.483 ======================= Grid point 518 (164/288) ======================= q-point: ( 0.10 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.408 ( -1.711 4.307 13.584) 14.353 2.976 ( -6.966 2.591 17.520) 19.031 3.184 ( 3.185 -0.694 18.590) 18.873 4.118 ( -1.159 -8.900 -1.286) 9.067 4.695 ( -12.380 -5.739 -4.856) 14.484 5.078 ( -1.781 11.420 -2.598) 11.847 5.770 ( -2.406 16.249 38.963) 42.284 6.418 ( 1.412 7.715 -2.058) 8.108 6.586 ( -12.345 -18.050 2.499) 22.010 6.893 ( 2.312 -1.201 12.543) 12.810 6.928 ( 3.872 -0.341 10.274) 10.985 7.956 ( 17.882 -15.072 1.744) 23.452 8.883 ( 6.682 0.956 -13.403) 15.006 9.104 ( 4.208 -2.849 -12.275) 13.285 10.508 ( -6.399 11.773 -4.956) 14.287 10.737 ( -0.072 7.844 -6.114) 9.945 11.109 ( 0.131 7.981 10.640) 13.301 12.276 ( -4.429 -14.878 -0.407) 15.529 ======================= Grid point 519 (165/288) ======================= q-point: ( 0.20 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.355 ( -3.472 2.506 11.105) 11.902 2.864 ( -4.024 2.894 9.178) 10.431 3.233 ( 1.871 -0.625 15.829) 15.951 4.069 ( -3.907 -4.488 3.356) 6.831 4.489 ( -9.393 -17.305 -5.257) 20.380 4.904 ( -15.784 0.661 5.546) 16.743 5.634 ( -8.565 3.647 26.249) 27.851 6.239 ( -18.566 -17.940 8.489) 27.178 6.629 ( 16.985 17.098 8.574) 25.581 7.002 ( 6.251 2.480 8.710) 11.004 7.089 ( 11.398 7.924 11.314) 17.908 8.234 ( 10.630 -4.740 4.874) 12.619 9.032 ( 7.018 1.158 -16.270) 17.757 9.232 ( 8.668 -5.558 -15.756) 18.822 10.375 ( -6.270 11.651 -6.481) 14.733 10.718 ( -1.770 3.275 -2.707) 4.602 11.119 ( 1.050 5.700 11.401) 12.790 12.153 ( -8.268 -13.443 0.237) 15.783 ======================= Grid point 520 (166/288) ======================= q-point: ( 0.30 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.311 ( 0.168 0.351 5.795) 5.808 2.823 ( -0.954 -0.355 -1.323) 1.669 3.255 ( 0.540 0.208 12.266) 12.280 3.971 ( -7.400 -6.080 4.192) 10.455 4.279 ( -13.270 -12.343 -3.791) 18.515 4.583 ( -13.548 -16.879 16.052) 26.946 5.523 ( -2.935 -2.491 23.430) 23.744 5.925 ( -14.048 -13.539 14.423) 24.263 6.925 ( 11.694 11.463 14.817) 22.084 7.096 ( 3.483 3.631 10.727) 11.849 7.384 ( 19.903 19.714 4.469) 28.368 8.377 ( 4.579 4.424 5.447) 8.379 9.125 ( 2.936 3.088 -16.139) 16.692 9.344 ( 0.476 0.068 -18.054) 18.060 10.328 ( 2.608 3.243 -7.032) 8.171 10.680 ( -1.977 -1.524 -0.792) 2.618 11.157 ( 3.354 2.975 11.534) 12.375 11.964 ( -11.310 -11.690 1.287) 16.316 ======================= Grid point 521 (167/288) ======================= q-point: ( 0.40 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.396 ( 8.878 -3.040 -2.849) 9.807 2.782 ( -4.669 -4.247 -10.336) 12.111 3.271 ( 2.186 0.900 10.016) 10.291 3.689 ( -19.520 -2.649 -0.909) 19.720 4.153 ( 1.312 -13.808 14.889) 20.348 4.394 ( -8.125 -24.760 15.739) 30.443 5.510 ( 1.316 -6.435 22.701) 23.632 5.703 ( -9.199 -10.584 18.754) 23.417 7.074 ( 4.778 7.168 15.225) 17.494 7.137 ( 0.862 4.700 12.540) 13.420 7.810 ( 22.831 24.389 2.296) 33.487 8.395 ( -3.770 13.403 4.485) 14.627 9.154 ( 0.483 4.340 -15.324) 15.934 9.260 ( -6.697 6.436 -16.723) 19.129 10.446 ( 7.650 -4.869 -6.530) 11.174 10.640 ( -2.516 -4.862 -1.619) 5.709 11.266 ( 8.332 -1.251 9.910) 13.007 11.727 ( -13.232 -9.556 3.077) 16.610 ======================= Grid point 522 (168/288) ======================= q-point: (-0.50 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.615 ( -12.036 -5.733 -10.981) 17.272 2.615 ( 12.036 -5.733 -10.981) 17.272 3.385 ( -10.701 0.760 6.589) 12.590 3.385 ( 10.701 0.760 6.589) 12.590 4.246 ( -7.089 -21.028 16.248) 27.503 4.246 ( 7.089 -21.028 16.248) 27.503 5.569 ( -4.911 -8.730 21.434) 23.659 5.569 ( 4.911 -8.730 21.434) 23.659 7.131 ( -1.493 5.741 14.014) 15.218 7.131 ( 1.493 5.741 14.014) 15.218 8.200 ( -16.416 21.690 2.767) 27.342 8.200 ( 16.416 21.690 2.767) 27.342 9.170 ( -2.142 5.440 -15.160) 16.248 9.170 ( 2.142 5.440 -15.160) 16.248 10.571 ( -4.991 -6.061 -3.926) 8.778 10.571 ( 4.991 -6.061 -3.926) 8.778 11.473 ( -12.725 -6.197 6.173) 15.441 11.473 ( 12.725 -6.197 6.173) 15.441 ======================= Grid point 528 (169/288) ======================= q-point: ( 0.00 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.647 ( 0.000 17.430 2.621) 17.626 3.093 ( 0.000 2.020 19.929) 20.031 3.104 ( 0.000 -2.758 13.317) 13.600 3.704 ( 0.000 -27.507 -6.564) 28.279 5.056 ( 0.000 15.459 6.660) 16.833 5.331 ( 0.000 9.463 -0.772) 9.495 6.156 ( 0.000 15.698 30.848) 34.612 6.450 ( 0.000 -7.284 -9.927) 12.313 6.491 ( 0.000 1.153 10.406) 10.469 6.779 ( 0.000 -4.434 26.881) 27.244 6.885 ( 0.000 -2.180 -6.693) 7.039 7.306 ( 0.000 -20.150 3.263) 20.412 8.868 ( 0.000 3.121 -10.548) 11.000 9.008 ( 0.000 -3.624 -10.331) 10.948 10.736 ( 0.000 6.359 -2.401) 6.797 10.835 ( 0.000 1.539 -3.222) 3.571 11.366 ( 0.000 16.302 2.148) 16.442 12.012 ( 0.000 -16.503 -0.710) 16.518 ======================= Grid point 529 (170/288) ======================= q-point: ( 0.10 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.610 ( -3.845 15.823 1.878) 16.392 3.002 ( -5.930 -0.137 11.527) 12.963 3.168 ( 3.410 0.031 16.800) 17.142 3.722 ( 1.620 -26.471 -4.542) 26.907 4.829 ( -19.088 14.732 5.609) 24.755 5.225 ( -12.909 1.744 3.926) 13.605 5.986 ( -14.860 6.497 21.758) 27.138 6.258 ( -16.357 -14.142 3.356) 21.882 6.632 ( 13.075 12.666 13.096) 22.426 6.866 ( 7.773 -2.152 15.114) 17.132 6.982 ( 13.181 7.250 2.312) 15.220 7.624 ( 23.930 -19.237 1.816) 30.757 8.913 ( 4.663 2.270 -12.143) 13.204 9.040 ( 3.179 -3.696 -11.221) 12.234 10.688 ( -4.548 7.186 -2.894) 8.983 10.817 ( -2.185 0.817 -3.371) 4.099 11.343 ( -2.169 15.485 3.763) 16.083 11.977 ( -3.587 -16.214 -0.246) 16.608 ======================= Grid point 530 (171/288) ======================= q-point: ( 0.20 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 704 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.510 ( -6.041 12.843 0.050) 14.193 2.885 ( -5.809 -1.428 1.511) 6.170 3.231 ( 2.932 1.594 14.397) 14.779 3.749 ( 0.703 -23.870 -1.809) 23.948 4.445 ( -19.326 8.682 9.116) 23.065 4.846 ( -24.994 -6.795 7.742) 27.033 5.703 ( -12.811 3.808 20.382) 24.373 5.956 ( -14.449 -11.464 13.341) 22.764 6.888 ( 12.046 8.615 15.798) 21.654 7.021 ( 7.523 -0.356 11.708) 13.921 7.340 ( 22.710 18.542 2.728) 29.445 8.062 ( 20.492 -13.542 3.776) 24.851 9.039 ( 7.667 0.203 -15.528) 17.319 9.127 ( 5.918 -4.518 -13.472) 15.392 10.577 ( -6.686 8.588 -4.592) 11.813 10.748 ( -4.832 -0.447 -2.794) 5.600 11.295 ( -2.523 12.656 7.236) 14.795 11.876 ( -6.846 -15.312 1.120) 16.810 ======================= Grid point 531 (172/288) ======================= q-point: ( 0.30 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.410 ( -3.417 9.677 -3.450) 10.827 2.788 ( -4.488 -4.370 -9.759) 11.596 3.271 ( 1.087 2.602 9.550) 9.958 3.726 ( -3.866 -19.082 -2.979) 19.696 4.132 ( -12.746 -0.064 15.452) 20.031 4.354 ( -23.875 -8.762 17.692) 30.981 5.517 ( -6.766 1.581 22.824) 23.858 5.711 ( -11.019 -8.920 18.836) 23.575 7.073 ( 7.263 4.846 15.292) 17.609 7.138 ( 4.574 0.870 12.410) 13.255 7.803 ( 24.626 22.440 2.387) 33.402 8.390 ( 13.703 -4.137 4.812) 15.101 9.158 ( 4.300 0.651 -15.814) 16.401 9.257 ( 6.191 -6.458 -16.699) 18.944 10.456 ( -4.972 7.983 -6.750) 11.577 10.648 ( -5.166 -2.155 -1.740) 5.862 11.258 ( -1.018 8.016 10.188) 13.003 11.720 ( -9.247 -13.528 3.340) 16.723 ======================= Grid point 532 (173/288) ======================= q-point: ( 0.40 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 704 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.411 ( 3.932 4.713 -9.519) 11.326 2.694 ( -6.110 -5.698 -18.035) 19.876 3.283 ( 1.075 1.244 4.723) 5.001 3.570 ( -11.956 -10.211 -6.089) 16.860 3.963 ( -4.956 -5.958 22.346) 23.651 4.029 ( -9.215 -11.594 29.853) 33.324 5.437 ( -1.743 -1.433 24.272) 24.376 5.538 ( -6.955 -6.604 22.379) 24.348 7.173 ( 3.323 3.319 14.704) 15.436 7.198 ( 1.751 1.781 13.414) 13.645 8.249 ( 20.955 20.581 1.987) 29.438 8.580 ( 5.499 5.317 3.682) 8.490 9.208 ( 1.262 1.462 -14.900) 15.025 9.299 ( -2.099 -2.420 -16.408) 16.718 10.420 ( 1.358 2.111 -7.842) 8.234 10.559 ( -4.192 -3.688 -3.083) 6.378 11.269 ( 2.548 2.111 11.360) 11.832 11.534 ( -9.820 -10.178 6.394) 15.522 ======================= Grid point 533 (174/288) ======================= q-point: (-0.50 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.544 ( -8.742 -1.741 -16.716) 18.945 2.544 ( 8.742 -1.741 -16.716) 18.945 3.361 ( -7.919 -3.010 -0.041) 8.471 3.361 ( 7.919 -3.010 -0.041) 8.471 3.937 ( -1.686 -10.466 27.752) 29.708 3.937 ( 1.686 -10.466 27.752) 29.708 5.446 ( -2.674 -4.190 24.211) 24.716 5.446 ( 2.674 -4.190 24.211) 24.716 7.209 ( -0.601 2.493 14.168) 14.398 7.209 ( 0.601 2.493 14.168) 14.398 8.554 ( -9.288 14.546 2.366) 17.420 8.554 ( 9.288 14.546 2.366) 17.420 9.236 ( -2.575 1.052 -14.924) 15.181 9.236 ( 2.575 1.052 -14.924) 15.181 10.481 ( -4.027 -3.001 -6.294) 8.052 10.481 ( 4.027 -3.001 -6.294) 8.052 11.364 ( -7.300 -4.619 9.745) 13.023 11.364 ( 7.300 -4.619 9.745) 13.023 ======================= Grid point 539 (175/288) ======================= q-point: ( 0.00 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.991 ( 0.000 -12.401 3.228) 12.814 2.991 ( 0.000 12.401 3.228) 12.814 3.228 ( 0.000 -16.966 8.252) 18.866 3.228 ( 0.000 16.966 8.252) 18.866 5.326 ( 0.000 -9.626 8.103) 12.582 5.326 ( 0.000 9.626 8.103) 12.582 6.316 ( 0.000 -5.902 -6.811) 9.013 6.316 ( 0.000 5.902 -6.811) 9.013 6.652 ( 0.000 -10.077 33.343) 34.832 6.652 ( 0.000 10.077 33.343) 34.832 6.975 ( 0.000 -12.156 -3.486) 12.646 6.975 ( 0.000 12.156 -3.486) 12.646 8.935 ( 0.000 -3.803 -10.259) 10.941 8.935 ( 0.000 3.803 -10.259) 10.941 10.822 ( 0.000 -2.655 -1.891) 3.260 10.822 ( 0.000 2.655 -1.891) 3.260 11.690 ( 0.000 -17.059 -0.548) 17.068 11.690 ( 0.000 17.059 -0.548) 17.068 ======================= Grid point 541 (176/288) ======================= q-point: ( 0.10 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.914 ( -6.709 -11.433 0.375) 13.262 2.914 ( -6.709 11.433 0.375) 13.262 3.281 ( 4.311 -15.284 9.371) 18.439 3.281 ( 4.311 15.284 9.371) 18.439 5.114 ( -19.994 -12.433 7.010) 24.566 5.114 ( -19.994 12.433 7.010) 24.566 6.079 ( -16.278 -5.288 8.840) 19.263 6.079 ( -16.278 5.288 8.840) 19.263 6.802 ( 10.123 -5.067 18.301) 21.519 6.802 ( 10.123 5.067 18.301) 21.519 7.247 ( 23.398 -18.913 0.082) 30.086 7.247 ( 23.398 18.913 0.082) 30.086 8.969 ( 3.463 -3.480 -11.289) 12.310 8.969 ( 3.463 3.480 -11.289) 12.310 10.789 ( -3.329 -3.425 -2.114) 5.224 10.789 ( -3.329 3.425 -2.114) 5.224 11.659 ( -3.131 -16.873 0.416) 17.167 11.659 ( -3.131 16.873 0.416) 17.167 ======================= Grid point 543 (177/288) ======================= q-point: ( 0.20 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.769 ( -7.881 -11.313 -5.068) 14.689 2.769 ( -7.881 11.313 -5.068) 14.689 3.361 ( 3.590 -13.809 9.306) 17.035 3.361 ( 3.590 13.809 9.306) 17.035 4.659 ( -25.337 -11.781 9.257) 29.435 4.659 ( -25.337 11.781 9.257) 29.435 5.793 ( -13.205 -6.066 17.116) 22.453 5.793 ( -13.205 6.066 17.116) 22.453 6.990 ( 8.988 -3.032 14.430) 17.269 6.990 ( 8.988 3.032 14.430) 17.269 7.730 ( 25.445 -20.253 2.207) 32.596 7.730 ( 25.445 20.253 2.207) 32.596 9.062 ( 5.867 -2.350 -13.699) 15.087 9.062 ( 5.867 2.350 -13.699) 15.087 10.700 ( -5.736 -4.435 -2.779) 7.765 10.700 ( -5.736 4.435 -2.779) 7.765 11.575 ( -5.399 -15.781 3.019) 16.950 11.575 ( -5.399 15.781 3.019) 16.950 ======================= Grid point 545 (178/288) ======================= q-point: ( 0.30 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.632 ( -5.993 -11.506 -11.236) 17.163 2.632 ( -5.993 11.506 -11.236) 17.163 3.404 ( 0.428 -12.206 5.374) 13.343 3.404 ( 0.428 12.206 5.374) 13.343 4.208 ( -20.436 -6.484 17.677) 27.787 4.208 ( -20.436 6.484 17.677) 27.787 5.579 ( -9.027 -4.986 21.583) 23.920 5.579 ( -9.027 4.986 21.583) 23.920 7.132 ( 5.689 -1.563 13.945) 15.142 7.132 ( 5.689 1.563 13.945) 15.142 8.189 ( 22.003 -16.532 3.085) 27.694 8.189 ( 22.003 16.532 3.085) 27.694 9.174 ( 5.157 -1.898 -15.544) 16.487 9.174 ( 5.157 1.898 -15.544) 16.487 10.583 ( -6.021 -4.911 -4.108) 8.789 10.583 ( -6.021 4.911 -4.108) 8.789 11.463 ( -6.036 -12.777 6.541) 15.572 11.463 ( -6.036 12.777 6.541) 15.572 ======================= Grid point 547 (179/288) ======================= q-point: ( 0.40 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.551 ( -2.345 -8.629 -17.022) 19.228 2.551 ( -2.345 8.629 -17.022) 19.228 3.368 ( -3.723 -8.382 -0.877) 9.213 3.368 ( -3.723 8.382 -0.877) 9.213 3.921 ( -9.025 -1.325 28.871) 30.278 3.921 ( -9.025 1.325 28.871) 30.278 5.450 ( -4.512 -2.687 24.254) 24.816 5.450 ( -4.512 2.687 24.254) 24.816 7.209 ( 2.478 -0.610 14.133) 14.362 7.209 ( 2.478 0.610 14.133) 14.362 8.550 ( 14.882 -9.374 2.564) 17.774 8.550 ( 14.882 9.374 2.564) 17.774 9.235 ( 0.985 -2.378 -15.116) 15.334 9.235 ( 0.985 2.378 -15.116) 15.334 10.488 ( -3.533 -3.937 -6.452) 8.343 10.488 ( -3.533 3.937 -6.452) 8.343 11.360 ( -4.247 -7.337 9.935) 13.061 11.360 ( -4.247 7.337 9.935) 13.061 ======================= Grid point 549 (180/288) ======================= q-point: (-0.50 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.532 ( 0.000 0.000 -19.868) 19.868 2.532 ( 0.000 0.000 -19.868) 19.868 3.318 ( -0.000 -0.000 -1.917) 1.917 3.318 ( 0.000 0.000 -1.917) 1.917 3.843 ( 0.000 0.000 32.495) 32.495 3.843 ( 0.000 0.000 32.495) 32.495 5.406 ( 0.000 0.000 25.202) 25.202 5.406 ( 0.000 0.000 25.202) 25.202 7.232 ( 0.000 0.000 14.255) 14.255 7.232 ( 0.000 0.000 14.255) 14.255 8.707 ( -0.000 0.000 1.981) 1.981 8.707 ( 0.000 0.000 1.981) 1.981 9.234 ( 0.000 0.000 -14.135) 14.135 9.234 ( 0.000 0.000 -14.135) 14.135 10.454 ( 0.000 0.000 -8.025) 8.025 10.454 ( 0.000 0.000 -8.025) 8.025 11.316 ( 0.000 0.000 11.485) 11.485 11.316 ( 0.000 0.000 11.485) 11.485 ======================= Grid point 605 (181/288) ======================= q-point: ( 0.00 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.436 ( 0.000 0.000 18.369) 18.369 3.436 ( 0.000 0.000 18.310) 18.310 3.529 ( 0.000 0.000 26.124) 26.124 4.046 ( 0.000 0.000 13.839) 13.839 4.050 ( 0.000 0.000 13.710) 13.710 5.472 ( 0.000 0.000 -21.187) 21.187 5.781 ( 0.000 0.000 44.484) 44.484 6.308 ( 0.000 0.000 -14.405) 14.405 6.309 ( 0.000 0.000 -14.443) 14.443 7.378 ( 0.000 0.000 13.542) 13.542 7.829 ( 0.000 0.000 4.956) 4.956 8.487 ( 0.000 0.000 -15.767) 15.767 8.584 ( 0.000 0.000 -6.132) 6.132 8.585 ( 0.000 0.000 -6.161) 6.161 10.018 ( 0.000 0.000 -2.420) 2.420 10.018 ( 0.000 0.000 -2.422) 2.422 11.328 ( 0.000 0.000 19.568) 19.568 12.746 ( 0.000 0.000 -9.476) 9.476 ======================= Grid point 606 (182/288) ======================= q-point: ( 0.10 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.278 ( -15.093 0.000 28.484) 32.236 3.446 ( 0.840 0.000 16.601) 16.622 3.506 ( 0.061 0.000 14.507) 14.507 4.108 ( 5.648 0.000 14.575) 15.631 4.229 ( 15.468 0.000 12.160) 19.675 5.281 ( -17.601 0.000 -20.274) 26.849 5.898 ( 11.626 0.000 42.752) 44.304 6.333 ( 2.662 0.000 -12.805) 13.079 6.351 ( 2.777 0.000 -15.463) 15.711 7.366 ( -1.414 0.000 14.446) 14.515 7.703 ( -12.420 0.000 4.532) 13.221 8.310 ( -12.315 0.000 -7.571) 14.456 8.592 ( 0.702 0.000 -6.181) 6.221 8.699 ( 6.293 0.000 -12.868) 14.324 10.105 ( 8.413 0.000 -2.612) 8.809 10.105 ( 8.591 0.000 -3.033) 9.111 11.324 ( -0.372 0.000 18.761) 18.765 12.683 ( -6.463 0.000 -8.903) 11.002 ======================= Grid point 607 (183/288) ======================= q-point: ( 0.20 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.972 ( -15.174 0.000 24.184) 28.551 3.459 ( 0.294 0.000 14.189) 14.192 3.508 ( -0.189 0.000 17.289) 17.290 4.207 ( 0.710 0.000 9.547) 9.573 4.568 ( 19.275 0.000 5.064) 19.929 4.928 ( -14.120 0.000 -12.610) 18.931 6.188 ( 17.286 0.000 34.430) 38.526 6.367 ( -1.629 0.000 -17.200) 17.277 6.409 ( 5.313 0.000 -4.711) 7.101 7.314 ( -4.265 0.000 14.161) 14.789 7.392 ( -18.933 0.000 3.562) 19.265 8.065 ( -12.763 0.000 -0.317) 12.767 8.612 ( 1.381 0.000 -6.349) 6.498 8.795 ( 3.591 0.000 -13.685) 14.149 10.303 ( 11.275 0.000 -3.064) 11.684 10.317 ( 12.628 0.000 -5.090) 13.615 11.320 ( 0.282 0.000 16.543) 16.545 12.509 ( -11.365 0.000 -7.504) 13.619 ======================= Grid point 608 (184/288) ======================= q-point: ( 0.30 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.746 ( -7.453 0.000 15.647) 17.332 3.448 ( -1.813 0.000 13.700) 13.819 3.498 ( -0.660 0.000 19.933) 19.944 3.969 ( -22.722 0.000 -8.899) 24.402 4.937 ( 12.995 0.000 8.457) 15.504 4.947 ( 19.710 0.000 -1.406) 19.760 6.289 ( -6.196 0.000 -18.554) 19.561 6.461 ( 8.036 0.000 -7.482) 10.980 6.564 ( 10.195 0.000 32.922) 34.465 7.040 ( -14.118 0.000 6.221) 15.428 7.196 ( -8.081 0.000 8.364) 11.630 7.833 ( -11.506 0.000 10.751) 15.747 8.646 ( 2.167 0.000 -6.713) 7.055 8.834 ( 0.506 0.000 -11.670) 11.681 10.509 ( 9.798 0.000 -3.570) 10.428 10.554 ( 11.226 0.000 -7.569) 13.539 11.350 ( 3.378 0.000 12.982) 13.415 12.261 ( -14.162 0.000 -5.713) 15.271 ======================= Grid point 609 (185/288) ======================= q-point: ( 0.40 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.719 ( 5.231 0.000 5.287) 7.437 3.314 ( -16.300 0.000 2.363) 16.470 3.490 ( -0.060 0.000 19.793) 19.793 3.584 ( -10.827 0.000 2.968) 11.226 5.260 ( 17.743 0.000 12.897) 21.935 5.297 ( 15.865 0.000 -3.380) 16.221 6.151 ( -7.158 0.000 -18.539) 19.873 6.398 ( -16.184 0.000 5.451) 17.078 6.662 ( 6.737 0.000 -10.901) 12.815 7.017 ( -10.135 0.000 -0.412) 10.143 7.085 ( 14.209 0.000 33.468) 36.359 7.615 ( -11.709 0.000 23.076) 25.876 8.696 ( 3.044 0.000 -7.227) 7.842 8.816 ( -2.230 0.000 -9.345) 9.607 10.665 ( 6.292 0.000 -4.226) 7.580 10.714 ( 4.932 0.000 -7.541) 9.011 11.470 ( 9.361 0.000 7.124) 11.764 11.979 ( -15.056 0.000 -3.296) 15.413 ======================= Grid point 610 (186/288) ======================= q-point: (-0.50 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.944 ( -17.488 0.000 -2.867) 17.721 2.944 ( 17.488 0.000 -2.867) 17.721 3.501 ( -1.436 0.000 16.560) 16.622 3.501 ( 1.436 0.000 16.560) 16.622 5.477 ( -0.545 0.000 5.521) 5.548 5.477 ( 0.545 0.000 5.521) 5.548 6.118 ( -7.641 0.000 -9.034) 11.832 6.118 ( 7.641 0.000 -9.034) 11.832 6.825 ( -9.565 0.000 -7.699) 12.279 6.825 ( 9.565 0.000 -7.699) 12.279 7.370 ( -14.114 0.000 31.962) 34.940 7.370 ( 14.114 0.000 31.962) 34.940 8.759 ( -3.400 0.000 -7.955) 8.652 8.759 ( 3.400 0.000 -7.955) 8.652 10.743 ( -1.594 0.000 -5.529) 5.754 10.743 ( 1.594 0.000 -5.529) 5.754 11.698 ( -13.851 0.000 0.774) 13.872 11.698 ( 13.851 0.000 0.774) 13.872 ======================= Grid point 616 (187/288) ======================= q-point: ( 0.00 0.10 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.255 ( 0.000 -15.602 28.022) 32.073 3.445 ( 0.000 0.675 16.432) 16.446 3.531 ( 0.000 0.413 15.119) 15.125 4.108 ( 0.000 6.180 14.934) 16.162 4.218 ( 0.000 14.580 12.193) 19.006 5.273 ( 0.000 -18.293 -20.403) 27.403 5.902 ( 0.000 11.968 42.547) 44.198 6.335 ( 0.000 2.735 -12.677) 12.968 6.357 ( 0.000 3.292 -15.481) 15.827 7.367 ( 0.000 -1.283 14.507) 14.564 7.705 ( 0.000 -12.301 4.519) 13.105 8.303 ( 0.000 -12.729 -7.342) 14.695 8.591 ( 0.000 0.705 -6.120) 6.161 8.707 ( 0.000 6.601 -13.076) 14.648 10.105 ( 0.000 8.402 -2.630) 8.804 10.108 ( 0.000 8.839 -3.197) 9.399 11.321 ( 0.000 -0.666 18.830) 18.842 12.683 ( 0.000 -6.436 -8.835) 10.931 ======================= Grid point 617 (188/288) ======================= q-point: ( 0.10 0.10 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.193 ( -9.315 -11.857 26.913) 30.850 3.363 ( -5.075 -2.848 23.307) 24.023 3.491 ( -1.061 -0.980 6.280) 6.444 4.220 ( 5.665 6.256 21.653) 23.240 4.337 ( 14.307 13.291 4.864) 20.125 5.140 ( -13.315 -14.149 -19.779) 27.725 6.013 ( 10.916 11.349 42.474) 45.299 6.152 ( -7.101 -6.801 -16.289) 19.027 6.564 ( 9.772 10.077 -12.005) 18.471 7.350 ( -2.505 -2.367 13.903) 14.324 7.513 ( -16.038 -15.953 4.636) 23.092 8.311 ( -1.209 -1.704 -2.514) 3.269 8.618 ( 1.805 1.589 -7.838) 8.199 8.753 ( 4.378 5.003 -14.947) 16.358 10.044 ( 1.266 1.420 -2.926) 3.489 10.275 ( 9.935 10.041 -2.902) 14.420 11.318 ( -0.239 -0.536 18.061) 18.070 12.624 ( -6.065 -6.038 -8.314) 11.931 ======================= Grid point 618 (189/288) ======================= q-point: ( 0.20 0.10 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.930 ( -14.719 -5.011 21.856) 26.822 3.326 ( -0.698 -11.106 21.617) 24.314 3.479 ( -0.387 -1.919 6.269) 6.568 4.292 ( -0.756 5.650 15.752) 16.752 4.640 ( 11.616 6.911 1.091) 13.561 4.864 ( -6.894 -6.149 -11.141) 14.473 6.067 ( -1.879 -14.634 -11.963) 18.995 6.297 ( 17.110 10.764 34.108) 39.648 6.700 ( 3.907 14.370 -8.356) 17.076 7.114 ( -18.591 -19.242 2.994) 26.923 7.347 ( -2.963 -0.536 15.670) 15.957 8.229 ( -7.186 10.798 1.573) 13.066 8.645 ( 1.162 3.190 -8.564) 9.212 8.830 ( 2.808 3.833 -15.202) 15.928 10.162 ( 10.312 -6.185 -4.160) 12.724 10.465 ( 9.435 7.438 -3.171) 12.426 11.317 ( 0.455 -0.234 15.956) 15.964 12.460 ( -10.737 -5.017 -7.017) 13.772 ======================= Grid point 619 (190/288) ======================= q-point: ( 0.30 0.10 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.702 ( -7.805 -4.566 14.047) 16.706 3.295 ( -3.300 -13.341 16.106) 21.172 3.474 ( -0.171 -2.068 8.743) 8.986 4.040 ( -21.957 4.619 -4.237) 22.834 4.762 ( 10.652 -9.204 11.334) 18.073 5.072 ( 16.066 3.771 0.378) 16.507 6.046 ( -1.023 -15.162 -12.482) 19.665 6.570 ( -5.288 -5.698 15.615) 17.444 6.661 ( 4.867 12.231 3.397) 13.595 6.920 ( 2.925 1.343 8.690) 9.267 7.282 ( -3.989 4.206 13.353) 14.557 8.045 ( -11.649 17.523 6.306) 21.966 8.671 ( 1.754 2.723 -8.276) 8.887 8.854 ( -0.116 2.247 -12.483) 12.684 10.392 ( 12.434 -7.850 -5.851) 15.826 10.624 ( 6.880 3.209 -4.230) 8.691 11.349 ( 3.356 -0.060 12.633) 13.072 12.225 ( -13.518 -3.759 -5.284) 14.993 ======================= Grid point 620 (191/288) ======================= q-point: ( 0.40 0.10 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.664 ( 4.272 -5.656 4.418) 8.352 3.153 ( -12.759 -13.301 2.926) 18.662 3.477 ( 0.731 -1.392 12.028) 12.131 3.663 ( -13.944 4.859 4.774) 15.519 5.026 ( 15.259 -14.893 12.040) 24.487 5.313 ( 7.131 -6.483 3.625) 10.297 6.021 ( -0.857 -9.293 -11.553) 14.852 6.278 ( -14.845 -10.241 2.976) 18.279 6.836 ( 7.350 15.367 -7.749) 18.714 7.064 ( 2.782 6.425 15.770) 17.255 7.250 ( 6.491 11.860 19.442) 23.681 7.796 ( -14.155 17.506 14.843) 26.966 8.715 ( 2.783 2.008 -8.097) 8.794 8.830 ( -2.308 1.473 -9.904) 10.276 10.598 ( 8.478 -5.873 -5.770) 11.818 10.715 ( 2.370 -0.805 -5.195) 5.767 11.464 ( 8.918 -0.545 7.280) 11.526 11.954 ( -14.516 -2.596 -2.849) 15.019 ======================= Grid point 621 (192/288) ======================= q-point: (-0.50 0.10 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.858 ( -14.932 -8.396 -2.581) 17.324 2.858 ( 14.932 -8.396 -2.581) 17.324 3.513 ( -3.600 0.753 13.099) 13.605 3.513 ( 3.600 0.753 13.099) 13.605 5.285 ( -9.666 -16.732 8.395) 21.069 5.285 ( 9.666 -16.732 8.395) 21.069 6.068 ( -6.731 -4.915 -5.036) 9.738 6.068 ( 6.731 -4.915 -5.036) 9.738 6.975 ( -7.318 12.352 -2.918) 14.651 6.975 ( 7.318 12.352 -2.918) 14.651 7.509 ( -15.582 14.335 24.219) 32.169 7.509 ( 15.582 14.335 24.219) 32.169 8.774 ( -3.246 1.579 -8.524) 9.257 8.774 ( 3.246 1.579 -8.524) 9.257 10.709 ( -3.065 -3.489 -5.233) 6.997 10.709 ( 3.065 -3.489 -5.233) 6.997 11.683 ( -13.345 -1.562 1.233) 13.493 11.683 ( 13.345 -1.562 1.233) 13.493 ======================= Grid point 627 (193/288) ======================= q-point: ( 0.00 0.20 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.945 ( 0.000 -15.102 24.851) 29.080 3.452 ( 0.000 -0.185 13.877) 13.879 3.531 ( 0.000 -0.585 17.136) 17.146 4.230 ( 0.000 2.612 10.674) 10.989 4.546 ( 0.000 18.982 5.169) 19.673 4.903 ( 0.000 -15.200 -13.438) 20.288 6.195 ( 0.000 17.045 32.738) 36.910 6.379 ( 0.000 -1.504 -17.277) 17.343 6.414 ( 0.000 5.735 -3.068) 6.504 7.318 ( 0.000 -4.170 14.398) 14.990 7.396 ( 0.000 -18.866 3.480) 19.184 8.052 ( 0.000 -12.921 -0.235) 12.923 8.611 ( 0.000 1.406 -6.235) 6.391 8.805 ( 0.000 3.591 -13.730) 14.191 10.303 ( 0.000 11.301 -3.116) 11.723 10.324 ( 0.000 12.803 -5.489) 13.930 11.311 ( 0.000 0.061 16.707) 16.707 12.510 ( 0.000 -11.358 -7.254) 13.477 ======================= Grid point 628 (194/288) ======================= q-point: ( 0.10 0.20 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.909 ( -4.225 -14.829 22.917) 27.621 3.347 ( -11.224 -0.494 21.045) 23.856 3.472 ( -2.207 -0.951 5.732) 6.215 4.306 ( 4.836 0.820 17.724) 18.390 4.640 ( 9.202 12.327 0.680) 15.398 4.836 ( -6.812 -9.270 -12.191) 16.762 6.074 ( -14.834 -1.772 -13.103) 19.872 6.301 ( 10.415 17.292 35.229) 40.603 6.704 ( 14.003 3.957 -8.430) 16.817 7.118 ( -19.212 -18.254 3.001) 26.671 7.348 ( -0.651 -2.913 15.805) 16.084 8.222 ( 11.282 -7.490 1.473) 13.622 8.642 ( 3.112 1.114 -8.425) 9.050 8.837 ( 3.427 2.932 -15.203) 15.858 10.165 ( -6.226 10.468 -4.271) 12.907 10.467 ( 7.342 9.595 -3.365) 12.542 11.311 ( 0.039 0.197 16.069) 16.070 12.461 ( -5.046 -10.733 -6.832) 13.687 ======================= Grid point 629 (195/288) ======================= q-point: ( 0.20 0.20 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.764 ( -10.476 -11.396 17.144) 23.098 3.152 ( -7.626 -6.313 17.563) 20.161 3.440 ( -1.290 -2.054 3.460) 4.225 4.339 ( -4.134 -3.076 12.346) 13.378 4.625 ( -8.741 -8.617 -3.027) 12.642 4.883 ( 11.367 9.594 2.577) 15.096 5.869 ( -5.971 -5.552 -8.296) 11.632 6.533 ( 6.970 7.181 23.517) 25.558 6.761 ( -9.195 -9.389 10.847) 17.040 6.933 ( 8.439 9.054 -5.722) 13.636 7.345 ( 0.221 0.221 15.264) 15.267 8.360 ( 3.045 2.842 4.857) 6.399 8.707 ( 2.943 2.669 -11.399) 12.072 8.919 ( 3.524 3.650 -17.402) 18.126 10.116 ( 2.126 2.449 -4.049) 5.188 10.588 ( 5.157 5.341 -2.298) 7.772 11.317 ( 0.770 0.467 14.346) 14.374 12.323 ( -9.120 -9.121 -5.711) 14.106 ======================= Grid point 630 (196/288) ======================= q-point: ( 0.30 0.20 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.571 ( -7.823 -8.842 9.870) 15.389 3.032 ( -6.263 -12.903 9.242) 17.062 3.423 ( -0.347 -3.013 3.948) 4.979 4.065 ( -20.234 -3.387 -5.961) 21.364 4.614 ( 5.456 -5.661 20.002) 21.492 5.057 ( 5.706 -5.194 6.912) 10.359 5.832 ( 1.212 -5.952 -3.498) 7.009 6.324 ( -15.335 -14.310 3.945) 21.342 6.968 ( 15.727 17.968 17.735) 29.744 7.070 ( 6.948 9.296 3.984) 12.270 7.363 ( 2.362 5.165 12.889) 14.084 8.351 ( -4.222 12.276 6.221) 14.395 8.747 ( 1.368 4.591 -12.087) 13.002 8.928 ( -2.102 5.355 -14.959) 16.027 10.249 ( 10.637 -6.034 -5.433) 13.382 10.661 ( 2.430 0.768 -2.224) 3.382 11.351 ( 3.133 0.418 11.718) 12.137 12.120 ( -11.810 -7.079 -4.032) 14.347 ======================= Grid point 631 (197/288) ======================= q-point: ( 0.40 0.20 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.513 ( 2.295 -9.742 1.460) 10.114 2.874 ( -10.638 -14.997 -1.173) 18.425 3.434 ( 1.740 -3.148 5.633) 6.683 3.707 ( -15.136 -0.841 0.528) 15.169 4.764 ( 9.474 -11.580 20.308) 25.225 5.080 ( -3.319 -15.290 12.339) 19.926 5.883 ( 3.428 -5.019 0.218) 6.082 6.084 ( -9.328 -9.237 2.926) 13.450 7.125 ( 4.281 12.454 -1.611) 13.267 7.214 ( 2.481 7.903 13.489) 15.829 7.528 ( 16.310 18.336 15.690) 29.127 8.185 ( -12.951 20.577 7.839) 25.546 8.774 ( 1.863 4.143 -10.873) 11.784 8.875 ( -2.917 3.365 -11.492) 12.324 10.462 ( 10.245 -7.861 -5.898) 14.197 10.676 ( -1.045 -3.181 -3.166) 4.608 11.452 ( 7.598 -0.687 7.647) 10.801 11.881 ( -12.928 -4.990 -1.488) 13.937 ======================= Grid point 632 (198/288) ======================= q-point: (-0.50 0.20 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.650 ( -11.059 -12.542 -4.424) 17.297 2.650 ( 11.059 -12.542 -4.424) 17.297 3.506 ( -6.421 -1.954 5.922) 8.951 3.506 ( 6.421 -1.954 5.922) 8.951 4.951 ( -9.250 -16.396 16.969) 25.345 4.951 ( 9.250 -16.396 16.969) 25.345 5.957 ( -4.634 -5.946 2.112) 7.829 5.957 ( 4.634 -5.946 2.112) 7.829 7.194 ( -2.925 9.633 4.297) 10.946 7.194 ( 2.925 9.633 4.297) 10.946 7.878 ( -18.266 22.439 12.218) 31.408 7.878 ( 18.266 22.439 12.218) 31.408 8.820 ( -2.788 3.204 -10.201) 11.050 8.820 ( 2.788 3.204 -10.201) 11.050 10.615 ( -5.539 -6.107 -4.575) 9.429 10.615 ( 5.539 -6.107 -4.575) 9.429 11.640 ( -11.709 -2.810 2.544) 12.308 11.640 ( 11.709 -2.810 2.544) 12.308 ======================= Grid point 638 (199/288) ======================= q-point: ( 0.00 0.30 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.729 ( 0.000 -6.364 16.488) 17.674 3.429 ( 0.000 -2.501 12.966) 13.205 3.512 ( 0.000 -1.214 19.780) 19.817 4.017 ( 0.000 -22.017 -8.640) 23.651 4.911 ( 0.000 13.885 8.882) 16.483 4.923 ( 0.000 19.863 -1.367) 19.910 6.300 ( 0.000 -6.514 -18.654) 19.758 6.456 ( 0.000 8.086 -7.399) 10.960 6.582 ( 0.000 10.200 33.098) 34.634 7.043 ( 0.000 -14.374 5.868) 15.526 7.199 ( 0.000 -8.177 8.672) 11.919 7.821 ( 0.000 -11.257 10.620) 15.476 8.645 ( 0.000 2.188 -6.577) 6.931 8.842 ( 0.000 0.219 -11.512) 11.515 10.510 ( 0.000 9.820 -3.651) 10.477 10.561 ( 0.000 11.034 -7.824) 13.526 11.341 ( 0.000 3.598 13.050) 13.537 12.262 ( 0.000 -14.176 -5.263) 15.122 ======================= Grid point 639 (200/288) ======================= q-point: ( 0.10 0.30 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.691 ( -4.100 -6.769 15.204) 17.140 3.312 ( -12.350 -3.762 15.473) 20.152 3.457 ( -2.796 -0.415 8.345) 8.811 4.077 ( 3.830 -21.613 -4.475) 22.401 4.739 ( -8.760 10.624 11.837) 18.158 5.052 ( 3.865 16.569 0.657) 17.027 6.052 ( -15.065 -1.096 -12.927) 19.881 6.580 ( -6.179 -5.530 15.698) 17.753 6.659 ( 12.171 5.331 4.177) 13.928 6.932 ( 1.585 2.863 8.364) 8.982 7.282 ( 3.995 -4.221 13.433) 14.636 8.034 ( 17.741 -11.735 6.018) 22.106 8.669 ( 2.531 1.821 -8.118) 8.696 8.861 ( 2.069 -0.284 -12.431) 12.605 10.396 ( -7.718 12.333 -5.826) 15.672 10.629 ( 3.207 6.951 -4.525) 8.893 11.342 ( 0.087 3.472 12.730) 13.195 12.225 ( -3.803 -13.543 -4.886) 14.891 ======================= Grid point 640 (201/288) ======================= q-point: ( 0.20 0.30 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.569 ( -8.391 -7.184 10.787) 15.439 3.048 ( -13.568 -5.767 8.860) 17.200 3.408 ( -2.441 -1.048 3.460) 4.363 4.085 ( -4.460 -19.792 -6.764) 21.386 4.603 ( -4.992 5.132 20.577) 21.786 5.040 ( -4.693 5.231 7.524) 10.295 5.841 ( -6.067 1.673 -3.457) 7.180 6.331 ( -14.484 -14.881 3.851) 21.120 6.964 ( 17.904 15.559 17.825) 29.671 7.077 ( 9.016 7.191 4.173) 12.265 7.360 ( 5.092 1.996 12.798) 13.918 8.348 ( 12.753 -4.425 6.125) 14.823 8.742 ( 4.714 1.223 -12.132) 13.073 8.928 ( 4.909 -2.091 -15.037) 15.956 10.255 ( -6.068 10.810 -5.398) 13.521 10.666 ( 0.641 2.651 -2.393) 3.628 11.347 ( 0.633 3.045 11.828) 12.231 12.120 ( -7.089 -11.859 -3.791) 14.327 ======================= Grid point 641 (202/288) ======================= q-point: ( 0.30 0.30 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( -7.723 -7.392 3.881) 11.373 2.813 ( -11.283 -10.386 0.243) 15.338 3.368 ( -1.464 -2.353 1.665) 3.233 3.896 ( -13.920 -13.174 -9.864) 21.555 4.558 ( 0.148 -0.287 26.893) 26.895 4.925 ( -6.200 -7.175 18.225) 20.544 5.796 ( 0.187 0.815 4.837) 4.909 6.089 ( -10.351 -9.824 3.673) 14.736 7.215 ( 5.944 5.903 0.849) 8.420 7.254 ( 8.711 8.840 16.844) 20.922 7.547 ( 16.496 16.088 11.383) 25.700 8.507 ( 4.515 4.681 7.111) 9.636 8.820 ( 2.994 2.774 -13.839) 14.428 9.004 ( 1.083 0.562 -16.107) 16.153 10.209 ( 2.166 2.677 -5.028) 6.094 10.655 ( -1.723 -1.433 -1.465) 2.677 11.373 ( 2.240 2.055 10.394) 10.830 11.960 ( -9.453 -9.516 -1.965) 13.556 ======================= Grid point 642 (203/288) ======================= q-point: ( 0.40 0.30 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( 0.096 -9.179 -3.911) 9.978 2.601 ( -10.995 -13.230 -7.905) 18.932 3.363 ( 1.293 -3.873 1.304) 4.286 3.624 ( -12.942 -7.524 -4.992) 15.780 4.598 ( 3.744 -5.799 27.899) 28.740 4.809 ( -6.114 -11.897 24.174) 27.628 5.818 ( 1.691 -2.059 8.780) 9.175 5.938 ( -5.656 -5.914 5.694) 9.970 7.298 ( 3.123 6.289 3.309) 7.762 7.338 ( 1.585 4.885 10.077) 11.310 7.931 ( 21.219 22.373 10.001) 32.416 8.517 ( -4.631 13.264 7.140) 15.760 8.859 ( 1.365 4.023 -13.573) 14.222 8.956 ( -4.403 4.465 -13.667) 15.037 10.326 ( 8.595 -5.418 -5.417) 11.514 10.598 ( -4.287 -4.846 -2.299) 6.867 11.443 ( 5.354 -0.023 8.033) 9.653 11.767 ( -10.308 -6.653 0.785) 12.293 ======================= Grid point 643 (204/288) ======================= q-point: (-0.50 0.30 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.408 ( -8.279 -12.032 -9.433) 17.387 2.408 ( 8.279 -12.032 -9.433) 17.387 3.435 ( -6.598 -5.209 -0.205) 8.409 3.435 ( 6.598 -5.209 -0.205) 8.409 4.692 ( -5.843 -10.327 26.720) 29.236 4.692 ( 5.843 -10.327 26.720) 29.236 5.860 ( -2.877 -3.954 8.376) 9.699 5.860 ( 2.877 -3.954 8.376) 9.699 7.339 ( -1.179 5.616 6.234) 8.474 7.339 ( 1.179 5.616 6.234) 8.474 8.305 ( -16.628 20.907 7.499) 27.746 8.305 ( 16.628 20.907 7.499) 27.746 8.891 ( -2.331 3.808 -12.372) 13.153 8.891 ( 2.331 3.808 -12.372) 13.153 10.487 ( -7.420 -6.898 -4.225) 10.977 10.487 ( 7.420 -6.898 -4.225) 10.977 11.580 ( -8.811 -3.261 4.460) 10.400 11.580 ( 8.811 -3.261 4.460) 10.400 ======================= Grid point 649 (205/288) ======================= q-point: ( 0.00 0.40 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.729 ( 0.000 6.575 5.628) 8.655 3.304 ( 0.000 -13.405 3.532) 13.862 3.495 ( 0.000 -0.385 19.977) 19.981 3.625 ( 0.000 -13.594 1.715) 13.702 5.249 ( 0.000 18.361 12.995) 22.494 5.279 ( 0.000 16.332 -3.533) 16.710 6.153 ( 0.000 -7.669 -18.608) 20.127 6.404 ( 0.000 -16.308 5.353) 17.164 6.665 ( 0.000 6.442 -11.018) 12.763 7.019 ( 0.000 -10.210 -0.192) 10.211 7.086 ( 0.000 14.136 33.727) 36.569 7.609 ( 0.000 -11.418 22.905) 25.593 8.695 ( 0.000 3.024 -7.100) 7.717 8.818 ( 0.000 -2.477 -9.155) 9.485 10.666 ( 0.000 6.243 -4.286) 7.573 10.715 ( 0.000 4.672 -7.429) 8.776 11.467 ( 0.000 9.701 7.069) 12.004 11.980 ( 0.000 -15.045 -2.799) 15.304 ======================= Grid point 650 (206/288) ======================= q-point: ( 0.10 0.40 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.677 ( -5.356 5.544 5.037) 9.208 3.169 ( -12.168 -12.081 3.568) 17.514 3.462 ( -2.200 1.157 11.858) 12.116 3.693 ( 4.086 -15.294 3.448) 16.201 5.008 ( -14.897 15.574 12.487) 24.908 5.299 ( -6.947 7.270 3.976) 10.813 6.027 ( -8.652 -0.815 -11.452) 14.376 6.289 ( -9.845 -14.735 3.034) 17.979 6.839 ( 15.309 7.383 -7.910) 18.747 7.073 ( 6.330 2.511 16.036) 17.422 7.241 ( 11.518 6.201 19.258) 23.281 7.785 ( 17.246 -14.095 14.663) 26.667 8.714 ( 1.933 2.853 -8.007) 8.717 8.832 ( 1.506 -2.490 -9.862) 10.282 10.600 ( -5.691 8.397 -5.657) 11.614 10.720 ( -0.603 2.233 -5.292) 5.775 11.461 ( -0.587 9.186 7.332) 11.768 11.954 ( -2.668 -14.521 -2.367) 14.953 ======================= Grid point 651 (207/288) ======================= q-point: ( 0.20 0.40 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.529 ( -9.735 3.309 2.173) 10.509 2.898 ( -15.126 -10.251 -0.593) 18.282 3.413 ( -3.011 1.980 4.696) 5.920 3.723 ( -1.593 -16.015 -1.190) 16.138 4.750 ( -11.222 9.383 21.373) 25.899 5.059 ( -15.211 -3.256 13.350) 20.499 5.898 ( -4.912 3.666 0.658) 6.164 6.099 ( -9.257 -9.055 2.882) 13.266 7.127 ( 12.352 4.377 -1.952) 13.249 7.217 ( 7.560 2.312 13.790) 15.895 7.515 ( 18.342 15.979 15.455) 28.820 8.176 ( 21.016 -13.359 7.586) 26.032 8.770 ( 3.965 2.063 -10.906) 11.786 8.876 ( 3.106 -2.849 -11.717) 12.452 10.468 ( -7.579 10.244 -5.785) 13.995 10.683 ( -3.113 -0.979 -3.337) 4.667 11.448 ( -0.687 7.689 7.871) 11.024 11.879 ( -5.041 -12.976 -1.081) 13.962 ======================= Grid point 652 (208/288) ======================= q-point: ( 0.30 0.40 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.333 ( -9.683 0.784 -3.664) 10.383 2.616 ( -13.993 -10.428 -7.560) 19.019 3.351 ( -3.193 1.053 0.754) 3.446 3.627 ( -8.004 -13.327 -6.166) 16.724 4.591 ( -5.415 3.479 28.562) 29.278 4.798 ( -11.152 -6.324 25.147) 28.226 5.828 ( -2.599 2.066 9.050) 9.640 5.948 ( -6.385 -5.246 5.727) 10.054 7.298 ( 6.221 3.072 3.076) 7.589 7.337 ( 4.839 1.522 10.180) 11.374 7.923 ( 22.789 20.925 9.849) 32.468 8.518 ( 13.647 -4.940 7.431) 16.306 8.854 ( 4.185 1.202 -13.952) 14.616 8.950 ( 4.190 -4.287 -13.983) 15.214 10.334 ( -5.591 8.864 -5.417) 11.797 10.604 ( -5.042 -3.999 -2.402) 6.869 11.440 ( 0.088 5.280 8.247) 9.792 11.766 ( -6.610 -10.400 1.019) 12.364 ======================= Grid point 653 (209/288) ======================= q-point: ( 0.40 0.40 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( -3.355 -2.781 -10.689) 11.543 2.375 ( -10.837 -10.218 -14.015) 20.451 3.306 ( -0.970 -1.428 -0.420) 1.776 3.456 ( -8.590 -8.706 -5.080) 13.244 4.534 ( -0.839 -1.108 31.667) 31.697 4.635 ( -6.118 -6.497 30.974) 32.234 5.798 ( -0.510 -0.077 12.668) 12.679 5.854 ( -3.537 -3.085 9.860) 10.920 7.383 ( 2.896 2.845 4.881) 6.348 7.402 ( 1.945 1.881 7.891) 8.342 8.342 ( 19.980 19.692 7.016) 28.917 8.690 ( 4.278 4.655 6.468) 9.045 8.913 ( 1.967 1.670 -14.137) 14.370 8.993 ( -0.797 -1.520 -13.520) 13.629 10.288 ( 1.297 1.841 -5.474) 5.919 10.494 ( -6.378 -6.006 -3.182) 9.320 11.459 ( 2.055 1.924 7.939) 8.424 11.636 ( -6.635 -6.737 3.733) 10.166 ======================= Grid point 654 (210/288) ======================= q-point: (-0.50 0.40 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( -5.023 -7.231 -15.339) 17.686 2.218 ( 5.023 -7.231 -15.339) 17.686 3.332 ( -3.958 -4.692 -1.880) 6.420 3.332 ( 3.958 -4.692 -1.880) 6.420 4.552 ( -2.687 -4.541 32.209) 32.638 4.552 ( 2.687 -4.541 32.209) 32.638 5.807 ( -1.451 -1.643 12.665) 12.853 5.807 ( 1.451 -1.643 12.665) 12.853 7.415 ( -0.520 2.416 6.269) 6.738 7.415 ( 0.520 2.416 6.269) 6.738 8.645 ( -10.048 13.869 6.032) 18.158 8.645 ( 10.048 13.869 6.032) 18.158 8.947 ( -2.287 1.501 -13.285) 13.564 8.947 ( 2.287 1.501 -13.285) 13.564 10.369 ( -6.184 -4.846 -4.852) 9.234 10.369 ( 6.184 -4.846 -4.852) 9.234 11.524 ( -4.766 -2.316 6.372) 8.287 11.524 ( 4.766 -2.316 6.372) 8.287 ======================= Grid point 660 (211/288) ======================= q-point: ( 0.00 -0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.967 ( 0.000 -17.350 -2.788) 17.573 2.967 ( 0.000 17.350 -2.788) 17.573 3.507 ( 0.000 -2.036 16.744) 16.868 3.507 ( 0.000 2.036 16.744) 16.868 5.470 ( 0.000 -0.103 5.204) 5.205 5.470 ( 0.000 0.103 5.204) 5.205 6.117 ( 0.000 -7.978 -8.817) 11.891 6.117 ( 0.000 7.978 -8.817) 11.891 6.826 ( 0.000 -9.584 -7.716) 12.304 6.826 ( 0.000 9.584 -7.716) 12.304 7.368 ( 0.000 -13.944 31.966) 34.875 7.368 ( 0.000 13.944 31.966) 34.875 8.759 ( 0.000 -3.440 -7.817) 8.540 8.759 ( 0.000 3.440 -7.817) 8.540 10.742 ( 0.000 -1.569 -5.466) 5.687 10.742 ( 0.000 1.569 -5.466) 5.687 11.699 ( 0.000 -13.900 1.032) 13.939 11.699 ( 0.000 13.900 1.032) 13.939 ======================= Grid point 662 (212/288) ======================= q-point: ( 0.10 -0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.885 ( -8.136 -14.969 -2.155) 17.173 2.885 ( -8.136 14.969 -2.155) 17.173 3.514 ( 0.345 -4.864 12.568) 13.481 3.514 ( 0.345 4.864 12.568) 13.481 5.271 ( -17.144 -9.751 8.678) 21.548 5.271 ( -17.144 9.751 8.678) 21.548 6.077 ( -4.198 -6.982 -4.736) 9.423 6.077 ( -4.198 6.982 -4.736) 9.423 6.978 ( 12.452 -7.381 -3.372) 14.863 6.978 ( 12.452 7.381 -3.372) 14.863 7.500 ( 13.757 -15.512 24.399) 32.019 7.500 ( 13.757 15.512 24.399) 32.019 8.774 ( 1.641 -3.328 -8.489) 9.265 8.774 ( 1.641 3.328 -8.489) 9.265 10.710 ( -3.254 -3.157 -5.189) 6.891 10.710 ( -3.254 3.157 -5.189) 6.891 11.683 ( -1.659 -13.398 1.540) 13.588 11.683 ( -1.659 13.398 1.540) 13.588 ======================= Grid point 664 (213/288) ======================= q-point: ( 0.20 -0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.679 ( -12.717 -11.205 -3.755) 17.360 2.679 ( -12.717 11.205 -3.755) 17.360 3.500 ( -2.232 -7.593 4.493) 9.100 3.500 ( -2.232 7.593 4.493) 9.100 4.934 ( -16.275 -8.996 18.153) 25.987 4.934 ( -16.275 8.996 18.153) 25.987 5.975 ( -5.837 -4.614 2.434) 7.828 5.975 ( -5.837 4.614 2.434) 7.828 7.196 ( 9.428 -2.913 4.062) 10.671 7.196 ( 9.428 2.913 4.062) 10.671 7.864 ( 22.517 -18.388 12.012) 31.456 7.864 ( 22.517 18.388 12.012) 31.456 8.821 ( 3.111 -2.948 -10.366) 11.216 8.821 ( 3.111 2.948 -10.366) 11.216 10.622 ( -5.833 -5.588 -4.588) 9.290 10.622 ( -5.833 5.588 -4.588) 9.290 11.638 ( -2.901 -11.768 2.923) 12.468 11.638 ( -2.901 11.768 2.923) 12.468 ======================= Grid point 666 (214/288) ======================= q-point: ( 0.30 -0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.427 ( -12.713 -8.360 -9.072) 17.715 2.427 ( -12.713 8.360 -9.072) 17.715 3.427 ( -5.082 -7.175 -1.293) 8.887 3.427 ( -5.082 7.175 -1.293) 8.887 4.681 ( -9.871 -5.661 27.819) 30.056 4.681 ( -9.871 5.661 27.819) 30.056 5.874 ( -4.388 -2.885 8.618) 10.092 5.874 ( -4.388 2.885 8.618) 10.092 7.338 ( 5.560 -1.155 6.096) 8.331 7.338 ( 5.560 1.155 6.096) 8.331 8.297 ( 21.412 -16.970 7.391) 28.304 8.297 ( 21.412 16.970 7.391) 28.304 8.887 ( 3.541 -2.392 -12.663) 13.365 8.887 ( 3.541 2.392 -12.663) 13.365 10.496 ( -6.924 -7.331 -4.299) 10.962 10.496 ( -6.924 7.331 -4.299) 10.962 11.577 ( -3.232 -8.856 4.791) 10.575 11.577 ( -3.232 8.856 4.791) 10.575 ======================= Grid point 668 (215/288) ======================= q-point: ( 0.40 -0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.224 ( -7.835 -5.036 -15.274) 17.890 2.224 ( -7.835 5.036 -15.274) 17.890 3.329 ( -4.398 -4.052 -2.159) 6.358 3.329 ( -4.398 4.052 -2.159) 6.358 4.549 ( -4.231 -2.662 32.559) 32.940 4.549 ( -4.231 2.662 32.559) 32.940 5.812 ( -2.078 -1.461 12.746) 12.997 5.812 ( -2.078 1.461 12.746) 12.997 7.414 ( 2.474 -0.517 6.214) 6.709 7.414 ( 2.474 0.517 6.214) 6.709 8.645 ( 14.118 -10.383 6.282) 18.617 8.645 ( 14.118 10.383 6.282) 18.617 8.941 ( 1.660 -2.138 -13.670) 13.935 8.941 ( 1.660 2.138 -13.670) 13.935 10.374 ( -5.239 -6.125 -4.904) 9.435 10.374 ( -5.239 6.125 -4.904) 9.435 11.523 ( -2.205 -4.778 6.504) 8.366 11.523 ( -2.205 4.778 6.504) 8.366 ======================= Grid point 670 (216/288) ======================= q-point: (-0.50 -0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( 0.000 0.000 -18.106) 18.106 2.147 ( 0.000 0.000 -18.106) 18.106 3.283 ( 0.000 0.000 -1.554) 1.554 3.283 ( 0.000 0.000 -1.554) 1.554 4.510 ( 0.000 0.000 33.575) 33.575 4.510 ( 0.000 0.000 33.575) 33.575 5.792 ( 0.000 0.000 14.210) 14.210 5.792 ( 0.000 0.000 14.210) 14.210 7.437 ( 0.000 0.000 6.187) 6.187 7.437 ( 0.000 0.000 6.187) 6.187 8.795 ( -0.000 0.000 6.342) 6.342 8.795 ( 0.000 0.000 6.342) 6.342 8.949 ( 0.000 0.000 -13.901) 13.901 8.949 ( 0.000 0.000 -13.901) 13.901 10.320 ( 0.000 0.000 -5.563) 5.563 10.320 ( 0.000 0.000 -5.563) 5.563 11.501 ( 0.000 0.000 7.226) 7.226 11.501 ( 0.000 0.000 7.226) 7.226 ======================= Grid point 726 (217/288) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.547 ( 0.000 0.000 -0.529) 0.529 3.548 ( 0.000 0.000 -0.540) 0.540 4.044 ( 0.000 0.000 26.131) 26.131 4.585 ( 0.000 0.000 33.962) 33.962 4.586 ( 0.000 0.000 33.889) 33.889 5.031 ( 0.000 0.000 -23.609) 23.609 5.906 ( 0.000 0.000 -25.570) 25.570 5.907 ( 0.000 0.000 -25.606) 25.606 6.571 ( 0.000 0.000 35.698) 35.698 7.470 ( 0.000 0.000 -5.283) 5.283 7.930 ( 0.000 0.000 5.238) 5.238 8.203 ( 0.000 0.000 -11.870) 11.870 8.510 ( 0.000 0.000 -1.872) 1.872 8.510 ( 0.000 0.000 -1.903) 1.903 9.980 ( 0.000 0.000 -1.358) 1.358 9.980 ( 0.000 0.000 -1.368) 1.368 11.738 ( 0.000 0.000 21.600) 21.600 12.502 ( 0.000 0.000 -15.344) 15.344 ======================= Grid point 727 (218/288) ======================= q-point: ( 0.10 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.567 ( 1.957 0.000 0.745) 2.094 3.590 ( 4.189 0.000 0.276) 4.198 3.838 ( -18.020 0.000 26.200) 31.799 4.585 ( -4.410 0.000 22.477) 22.905 4.690 ( 8.258 0.000 30.130) 31.241 4.891 ( -8.407 0.000 -13.393) 15.813 5.931 ( 2.687 0.000 -24.444) 24.591 5.941 ( 2.121 0.000 -25.295) 25.383 6.689 ( 11.514 0.000 34.634) 36.498 7.498 ( 1.850 0.000 -1.908) 2.658 7.802 ( -12.523 0.000 5.531) 13.690 8.122 ( -7.097 0.000 -11.540) 13.547 8.515 ( 0.487 0.000 -2.088) 2.144 8.527 ( 1.539 0.000 -4.244) 4.515 10.061 ( 7.806 0.000 -1.467) 7.942 10.064 ( 8.066 0.000 -1.513) 8.207 11.717 ( -2.137 0.000 20.710) 20.820 12.450 ( -5.290 0.000 -14.713) 15.635 ======================= Grid point 728 (219/288) ======================= q-point: ( 0.20 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.443 ( -21.195 0.000 23.648) 31.756 3.617 ( 3.118 0.000 4.212) 5.241 3.692 ( 5.317 0.000 2.410) 5.837 4.250 ( -25.997 0.000 -11.649) 28.488 4.855 ( 9.068 0.000 22.635) 24.384 4.951 ( 11.441 0.000 18.548) 21.793 5.946 ( -1.975 0.000 -24.562) 24.641 6.013 ( 5.895 0.000 -22.757) 23.508 6.960 ( 14.527 0.000 31.292) 34.500 7.464 ( -7.239 0.000 1.636) 7.422 7.500 ( -16.979 0.000 7.803) 18.687 8.015 ( -2.253 0.000 -7.557) 7.886 8.528 ( 0.830 0.000 -2.653) 2.780 8.564 ( 2.237 0.000 -8.086) 8.389 10.246 ( 10.671 0.000 -2.144) 10.884 10.252 ( 10.688 0.000 -1.966) 10.867 11.664 ( -3.055 0.000 18.079) 18.335 12.307 ( -9.325 0.000 -12.901) 15.918 ======================= Grid point 729 (220/288) ======================= q-point: ( 0.30 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.069 ( -16.640 0.000 17.082) 23.847 3.646 ( -9.468 0.000 2.898) 9.901 3.754 ( -15.038 0.000 -8.774) 17.410 3.779 ( 3.371 0.000 7.456) 8.183 5.044 ( 10.738 0.000 12.196) 16.250 5.234 ( 17.272 0.000 20.448) 26.766 5.870 ( -5.612 0.000 -23.098) 23.770 6.156 ( 9.005 0.000 -20.766) 22.634 6.963 ( -18.164 0.000 9.935) 20.704 7.231 ( -15.493 0.000 -2.989) 15.779 7.425 ( 12.855 0.000 27.912) 30.730 8.020 ( 1.084 0.000 4.842) 4.961 8.548 ( 1.271 0.000 -3.663) 3.878 8.607 ( 2.052 0.000 -10.492) 10.691 10.443 ( 9.341 0.000 -3.555) 9.995 10.446 ( 9.030 0.000 -2.661) 9.414 11.615 ( -1.650 0.000 13.749) 13.848 12.106 ( -11.274 0.000 -9.947) 15.035 ======================= Grid point 730 (221/288) ======================= q-point: ( 0.40 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.851 ( -5.144 0.000 7.953) 9.471 3.210 ( -22.025 0.000 -8.951) 23.775 3.761 ( 2.785 0.000 10.592) 10.952 3.816 ( 0.546 0.000 11.792) 11.804 5.262 ( 11.675 0.000 1.530) 11.775 5.551 ( 10.055 0.000 13.862) 17.125 5.783 ( 2.215 0.000 -15.273) 15.432 6.357 ( 11.936 0.000 -17.803) 21.434 6.541 ( -23.470 0.000 8.152) 24.845 6.917 ( -16.534 0.000 -8.210) 18.460 7.705 ( 13.716 0.000 27.590) 30.811 8.013 ( -2.365 0.000 15.218) 15.401 8.578 ( 1.820 0.000 -5.215) 5.524 8.630 ( 0.148 0.000 -9.680) 9.681 10.584 ( 5.171 0.000 -3.586) 6.293 10.586 ( 5.280 0.000 -4.744) 7.098 11.618 ( 2.421 0.000 7.717) 8.088 11.892 ( -10.707 0.000 -5.537) 12.054 ======================= Grid point 731 (222/288) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.896 ( -9.882 0.000 -1.794) 10.044 2.896 ( 9.882 0.000 -1.794) 10.044 3.805 ( -1.581 0.000 12.913) 13.009 3.805 ( 1.581 0.000 12.913) 13.009 5.476 ( -10.125 0.000 -5.150) 11.359 5.476 ( 10.125 0.000 -5.150) 11.359 6.094 ( -22.376 0.000 7.208) 23.509 6.094 ( 22.376 0.000 7.208) 23.509 6.615 ( -14.785 0.000 -12.991) 19.681 6.615 ( 14.785 0.000 -12.991) 19.681 7.916 ( -8.028 0.000 22.584) 23.968 7.916 ( 8.028 0.000 22.584) 23.968 8.613 ( -1.676 0.000 -7.314) 7.504 8.613 ( 1.676 0.000 -7.314) 7.504 10.636 ( -0.120 0.000 -4.570) 4.572 10.636 ( 0.120 0.000 -4.570) 4.572 11.714 ( -7.446 0.000 0.660) 7.475 11.714 ( 7.446 0.000 0.660) 7.475 ======================= Grid point 737 (223/288) ======================= q-point: ( 0.00 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.564 ( 0.000 1.753 0.747) 1.905 3.582 ( 0.000 2.668 1.503) 3.062 3.845 ( 0.000 -16.692 24.738) 29.843 4.597 ( 0.000 -3.025 23.606) 23.799 4.686 ( 0.000 7.867 30.569) 31.565 4.874 ( 0.000 -9.931 -14.393) 17.487 5.929 ( 0.000 2.518 -24.492) 24.621 5.946 ( 0.000 2.454 -25.461) 25.579 6.695 ( 0.000 12.027 34.552) 36.585 7.500 ( 0.000 2.138 -1.817) 2.805 7.803 ( 0.000 -12.452 5.502) 13.614 8.120 ( 0.000 -7.354 -11.310) 13.490 8.515 ( 0.000 0.509 -2.059) 2.121 8.529 ( 0.000 1.740 -4.473) 4.800 10.061 ( 0.000 7.833 -1.545) 7.984 10.063 ( 0.000 8.016 -1.546) 8.163 11.715 ( 0.000 -2.275 20.805) 20.929 12.451 ( 0.000 -5.197 -14.718) 15.609 ======================= Grid point 738 (224/288) ======================= q-point: ( 0.10 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.499 ( -4.097 -3.849 -1.338) 5.779 3.643 ( 2.867 -0.236 7.635) 8.159 3.718 ( -11.810 -9.491 23.762) 28.181 4.623 ( -2.700 6.089 19.963) 21.045 4.665 ( -2.432 -10.926 -3.228) 11.649 4.849 ( 2.889 2.118 16.010) 16.406 5.725 ( -6.326 -6.181 -25.594) 27.079 6.217 ( 12.504 12.571 -21.947) 28.215 6.776 ( 8.701 9.235 33.898) 36.194 7.491 ( -5.235 -4.970 1.325) 7.338 7.603 ( -11.646 -11.545 2.521) 16.592 8.205 ( 3.796 3.520 -8.811) 10.219 8.519 ( 0.533 0.499 -2.632) 2.732 8.539 ( 1.037 1.306 -5.420) 5.671 9.999 ( 0.972 0.987 -1.621) 2.133 10.232 ( 9.980 9.955 -1.441) 14.169 11.696 ( -1.930 -2.069 19.947) 20.147 12.403 ( -4.955 -4.862 -14.108) 15.724 ======================= Grid point 739 (225/288) ======================= q-point: ( 0.20 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.316 ( -16.533 -12.255 14.523) 25.188 3.552 ( -2.471 -2.738 6.061) 7.095 3.665 ( -1.476 -6.710 11.690) 13.559 4.287 ( -21.688 1.198 -14.699) 26.227 4.843 ( 13.146 -0.328 11.322) 17.352 4.963 ( 7.672 2.054 24.749) 25.993 5.685 ( 1.015 -9.643 -21.912) 23.962 6.383 ( 5.431 20.650 -18.643) 28.346 6.989 ( 6.891 0.742 25.414) 26.343 7.203 ( -11.838 -15.338 8.286) 21.072 7.543 ( -2.178 0.854 4.635) 5.192 8.213 ( -2.062 14.430 -5.205) 15.478 8.535 ( 1.005 0.696 -3.137) 3.367 8.571 ( 2.241 0.858 -8.933) 9.249 10.098 ( 8.736 -5.968 -2.205) 10.808 10.418 ( 8.958 8.288 -1.527) 12.299 11.649 ( -2.729 -1.536 17.410) 17.690 12.269 ( -8.774 -3.977 -12.352) 15.664 ======================= Grid point 740 (226/288) ======================= q-point: ( 0.30 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.987 ( -15.526 -8.700 14.500) 22.956 3.467 ( -14.380 -15.574 -1.242) 21.234 3.600 ( 0.240 -5.227 5.564) 7.638 3.950 ( -10.832 3.890 -2.445) 11.767 5.081 ( 10.329 3.399 12.260) 16.388 5.168 ( 14.192 -4.893 14.897) 21.149 5.723 ( 2.185 -6.356 -17.049) 18.326 6.470 ( 4.854 22.416 -16.156) 28.054 6.722 ( -20.656 -18.045 3.606) 27.663 7.313 ( 0.807 5.325 12.565) 13.671 7.505 ( 5.883 5.511 17.433) 19.206 8.164 ( -2.699 13.782 3.401) 14.450 8.558 ( 1.400 1.010 -3.816) 4.188 8.615 ( 2.061 0.908 -10.884) 11.115 10.297 ( 11.019 -7.872 -3.504) 13.988 10.562 ( 5.752 4.918 -2.098) 7.853 11.605 ( -1.384 -0.937 13.256) 13.361 12.079 ( -10.685 -2.838 -9.474) 14.559 ======================= Grid point 741 (227/288) ======================= q-point: ( 0.40 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.779 ( -5.098 -7.597 7.073) 11.565 3.100 ( -19.349 -10.994 -6.575) 23.205 3.654 ( 3.993 -7.507 6.383) 10.632 3.823 ( -4.703 -2.742 8.330) 9.951 5.270 ( 9.632 -0.165 9.420) 13.474 5.415 ( 8.626 -8.913 8.424) 14.994 5.775 ( 5.194 -0.186 -11.036) 12.198 6.331 ( -19.485 -14.622 2.290) 24.468 6.606 ( 9.675 20.685 -13.397) 26.475 7.121 ( -14.400 13.785 -2.640) 20.109 7.754 ( 13.813 5.042 25.006) 29.009 8.100 ( -4.512 9.226 13.018) 16.581 8.589 ( 1.844 1.183 -5.170) 5.615 8.639 ( 0.214 0.930 -9.619) 9.667 10.490 ( 8.573 -6.068 -4.464) 11.412 10.631 ( 1.373 1.022 -3.147) 3.582 11.612 ( 2.420 -0.667 7.517) 7.925 11.875 ( -10.229 -1.769 -5.178) 11.601 ======================= Grid point 742 (228/288) ======================= q-point: (-0.50 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.816 ( -9.011 -8.281 -1.512) 12.331 2.816 ( 9.011 -8.281 -1.512) 12.331 3.737 ( -4.457 -6.656 8.714) 11.836 3.737 ( 4.457 -6.656 8.714) 11.836 5.428 ( -5.710 -4.602 5.108) 8.937 5.428 ( 5.710 -4.602 5.108) 8.937 5.988 ( -15.836 -6.701 -1.690) 17.278 5.988 ( 15.836 -6.701 -1.690) 17.278 6.839 ( -14.153 17.947 -8.333) 24.328 6.839 ( 14.153 17.947 -8.333) 24.328 7.974 ( -8.960 6.291 20.377) 23.132 7.974 ( 8.960 6.291 20.377) 23.132 8.624 ( -1.569 1.101 -7.190) 7.441 8.624 ( 1.569 1.101 -7.190) 7.441 10.610 ( -3.727 -2.768 -4.203) 6.262 10.610 ( 3.727 -2.768 -4.203) 6.262 11.704 ( -7.157 -0.985 0.803) 7.269 11.704 ( 7.157 -0.985 0.803) 7.269 ======================= Grid point 748 (229/288) ======================= q-point: ( 0.00 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.419 ( 0.000 -19.679 22.964) 30.242 3.607 ( 0.000 2.424 4.139) 4.797 3.713 ( 0.000 3.896 2.922) 4.870 4.270 ( 0.000 -25.427 -12.962) 28.540 4.844 ( 0.000 8.715 23.481) 25.046 4.932 ( 0.000 11.820 20.034) 23.261 5.954 ( 0.000 -1.942 -24.970) 25.046 6.009 ( 0.000 5.822 -22.867) 23.596 6.975 ( 0.000 14.986 31.303) 34.705 7.473 ( 0.000 -7.053 1.863) 7.295 7.501 ( 0.000 -17.119 7.625) 18.741 8.006 ( 0.000 -2.599 -7.120) 7.579 8.528 ( 0.000 0.843 -2.652) 2.783 8.571 ( 0.000 2.492 -8.466) 8.826 10.247 ( 0.000 10.741 -2.357) 10.996 10.251 ( 0.000 10.684 -2.029) 10.875 11.660 ( 0.000 -3.165 18.361) 18.632 12.310 ( 0.000 -9.201 -12.905) 15.849 ======================= Grid point 749 (230/288) ======================= q-point: ( 0.10 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.325 ( -11.391 -16.931 17.002) 26.561 3.518 ( -3.291 -1.729 3.541) 5.134 3.675 ( -6.594 -2.690 10.950) 13.062 4.316 ( 0.724 -21.147 -15.096) 25.992 4.820 ( -0.079 13.204 12.181) 17.965 4.958 ( 2.647 7.741 25.519) 26.798 5.688 ( -9.656 1.173 -21.916) 23.978 6.383 ( 20.561 5.337 -18.932) 28.454 6.998 ( 0.050 7.008 25.283) 26.236 7.208 ( -15.211 -11.325 8.463) 20.766 7.548 ( 0.661 -2.030 4.794) 5.247 8.204 ( 14.568 -2.659 -5.145) 15.677 8.534 ( 0.625 0.978 -3.050) 3.264 8.577 ( 0.706 2.518 -9.186) 9.551 10.100 ( -5.899 8.867 -2.291) 10.894 10.418 ( 8.312 8.975 -1.624) 12.340 11.646 ( -1.404 -2.849 17.604) 17.888 12.271 ( -4.068 -8.646 -12.346) 15.612 ======================= Grid point 750 (231/288) ======================= q-point: ( 0.20 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 704 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.044 ( -16.091 -15.144 9.962) 24.238 3.458 ( -10.555 -13.318 12.216) 20.928 3.506 ( -3.768 -2.660 5.981) 7.553 4.170 ( -14.069 -12.802 -15.684) 24.654 4.942 ( 11.534 10.595 3.772) 16.109 5.020 ( 3.729 3.604 25.898) 26.412 5.614 ( 1.168 1.549 -13.150) 13.292 6.710 ( 11.631 11.067 -14.464) 21.610 6.746 ( -19.000 -18.250 3.007) 26.517 7.225 ( 11.394 11.833 26.367) 31.065 7.551 ( -0.107 0.062 6.040) 6.042 8.425 ( 6.710 6.037 -0.329) 9.032 8.553 ( 1.414 1.149 -4.480) 4.836 8.603 ( 2.169 2.579 -12.548) 12.992 10.054 ( 1.719 1.979 -2.174) 3.406 10.554 ( 5.652 5.675 -1.105) 8.085 11.612 ( -1.916 -2.047 15.381) 15.634 12.160 ( -7.303 -7.170 -10.720) 14.821 ======================= Grid point 751 (232/288) ======================= q-point: ( 0.30 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.750 ( -13.679 -15.002 7.727) 21.722 3.163 ( -17.674 -16.648 3.482) 24.529 3.488 ( -0.003 -5.690 3.916) 6.907 3.897 ( -12.632 -8.362 -8.727) 17.482 5.095 ( 4.955 -0.850 23.937) 24.459 5.181 ( 11.136 5.012 5.338) 13.328 5.689 ( 5.551 2.470 -7.798) 9.886 6.378 ( -17.675 -16.635 1.515) 24.319 6.876 ( 6.263 17.990 -11.591) 22.299 7.419 ( 1.826 5.073 10.947) 12.203 7.613 ( 11.573 7.425 16.849) 21.748 8.453 ( -2.663 13.552 3.111) 14.157 8.586 ( 1.834 1.834 -4.370) 5.082 8.650 ( 1.995 3.145 -12.749) 13.282 10.165 ( 9.105 -5.130 -3.027) 10.880 10.628 ( 1.900 1.887 -1.141) 2.911 11.583 ( -0.755 -1.194 11.792) 11.876 12.001 ( -9.068 -5.221 -8.024) 13.186 ======================= Grid point 752 (233/288) ======================= q-point: ( 0.40 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 704 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.562 ( -4.922 -14.611 3.318) 15.771 2.824 ( -16.438 -16.972 -3.574) 23.896 3.508 ( 2.295 -7.451 2.661) 8.238 3.703 ( -7.998 -8.846 -0.885) 11.958 5.205 ( 6.482 -4.870 22.219) 23.652 5.334 ( 3.944 -1.574 12.301) 13.014 5.797 ( 5.454 2.763 -7.195) 9.442 6.088 ( -12.265 -9.966 -1.949) 15.923 7.000 ( 7.459 18.224 -8.991) 21.647 7.336 ( -7.694 8.195 0.769) 11.268 7.903 ( 15.356 10.908 19.291) 26.961 8.350 ( -7.713 15.576 7.615) 18.976 8.622 ( 1.951 2.237 -5.158) 5.951 8.670 ( 0.107 2.474 -9.347) 9.669 10.361 ( 10.370 -7.040 -3.910) 13.129 10.623 ( -2.443 -1.887 -2.024) 3.692 11.596 ( 2.331 -0.916 6.947) 7.385 11.826 ( -8.822 -3.258 -4.037) 10.234 ======================= Grid point 753 (234/288) ======================= q-point: (-0.50 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.585 ( -7.405 -15.386 -2.184) 17.214 2.585 ( 7.405 -15.386 -2.184) 17.214 3.579 ( -5.072 -8.979 1.915) 10.489 3.579 ( 5.072 -8.979 1.915) 10.489 5.321 ( -4.575 -6.051 19.285) 20.723 5.321 ( 4.575 -6.051 19.285) 20.723 5.909 ( -6.886 -1.404 -6.249) 9.404 5.909 ( 6.886 -1.404 -6.249) 9.404 7.165 ( -9.410 14.336 -4.852) 17.822 7.165 ( 9.410 14.336 -4.852) 17.822 8.164 ( -11.732 13.508 14.336) 22.926 8.164 ( 11.732 13.508 14.336) 22.926 8.656 ( -1.407 2.249 -6.895) 7.388 8.656 ( 1.407 2.249 -6.895) 7.388 10.532 ( -7.043 -5.216 -3.372) 9.391 10.532 ( 7.043 -5.216 -3.372) 9.391 11.678 ( -6.242 -1.666 1.270) 6.584 11.678 ( 6.242 -1.666 1.270) 6.584 ======================= Grid point 759 (235/288) ======================= q-point: ( 0.00 0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.064 ( 0.000 -15.679 17.397) 23.420 3.599 ( 0.000 -9.683 1.539) 9.805 3.790 ( 0.000 3.169 7.283) 7.943 3.817 ( 0.000 -14.233 -8.032) 16.343 5.028 ( 0.000 10.562 12.873) 16.651 5.221 ( 0.000 17.557 21.073) 27.428 5.876 ( 0.000 -5.876 -23.529) 24.252 6.151 ( 0.000 9.077 -20.856) 22.746 6.976 ( 0.000 -18.708 9.571) 21.014 7.239 ( 0.000 -15.660 -2.867) 15.920 7.430 ( 0.000 13.221 28.144) 31.095 8.008 ( 0.000 1.146 5.170) 5.295 8.548 ( 0.000 1.273 -3.698) 3.911 8.617 ( 0.000 2.011 -10.585) 10.775 10.445 ( 0.000 9.381 -3.764) 10.108 10.445 ( 0.000 9.067 -2.714) 9.465 11.610 ( 0.000 -1.551 14.100) 14.185 12.112 ( 0.000 -11.191 -9.922) 14.956 ======================= Grid point 760 (236/288) ======================= q-point: ( 0.10 0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.997 ( -7.539 -15.005 15.657) 22.959 3.480 ( -15.975 -13.230 -1.407) 20.790 3.560 ( -5.261 -0.138 3.777) 6.477 3.986 ( 2.738 -11.387 -1.983) 11.878 5.060 ( 3.179 10.804 11.374) 16.007 5.167 ( -3.946 14.196 16.703) 22.273 5.729 ( -6.002 2.417 -16.764) 17.969 6.465 ( 22.092 4.463 -16.566) 27.971 6.732 ( -17.868 -20.340 3.393) 27.286 7.329 ( 5.213 0.661 12.524) 13.581 7.503 ( 5.259 5.611 17.679) 19.279 8.147 ( 13.538 -2.802 3.263) 14.205 8.557 ( 0.902 1.423 -3.778) 4.136 8.624 ( 0.741 2.014 -10.849) 11.059 10.300 ( -7.649 11.095 -3.539) 13.934 10.562 ( 4.970 5.824 -2.255) 7.981 11.602 ( -0.835 -1.309 13.550) 13.639 12.083 ( -2.917 -10.591 -9.427) 14.476 ======================= Grid point 761 (237/288) ======================= q-point: ( 0.20 0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.767 ( -15.530 -12.864 8.619) 21.931 3.173 ( -16.618 -16.281 3.215) 23.486 3.461 ( -4.534 -1.471 3.179) 5.730 3.904 ( -9.546 -13.043 -9.041) 18.520 5.096 ( -0.376 5.022 24.434) 24.948 5.173 ( 5.227 11.279 5.636) 13.649 5.701 ( 2.365 6.345 -7.497) 10.103 6.385 ( -16.788 -17.235 1.556) 24.110 6.872 ( 17.997 5.924 -12.057) 22.458 7.427 ( 4.494 1.914 10.935) 11.976 7.608 ( 7.425 11.128 17.010) 21.641 8.443 ( 14.724 -3.166 2.360) 15.244 8.581 ( 1.597 1.861 -4.199) 4.863 8.651 ( 2.451 1.856 -12.396) 12.772 10.171 ( -5.158 9.415 -2.987) 11.143 10.629 ( 1.889 2.026 -1.241) 3.036 11.582 ( -1.087 -0.733 11.950) 12.022 12.003 ( -5.347 -8.952 -7.961) 13.119 ======================= Grid point 762 (238/288) ======================= q-point: ( 0.30 0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.466 ( -14.422 -13.406 2.452) 19.842 2.825 ( -19.215 -18.228 0.736) 26.495 3.398 ( -2.136 -3.557 2.236) 4.713 3.698 ( -10.586 -10.941 -9.329) 17.855 5.097 ( 0.738 0.912 24.286) 24.315 5.271 ( 3.659 3.517 15.940) 16.728 5.784 ( 5.229 6.208 -4.235) 9.156 6.110 ( -11.297 -10.831 -0.832) 15.672 7.128 ( 9.150 8.864 -8.189) 15.144 7.471 ( 0.098 0.250 4.769) 4.777 7.841 ( 16.286 15.775 16.914) 28.287 8.611 ( 1.700 3.993 -1.278) 4.524 8.621 ( 3.585 1.587 -3.889) 5.523 8.736 ( 4.855 3.615 -9.106) 10.934 10.133 ( 1.873 2.465 -2.611) 4.050 10.631 ( -1.791 -1.634 -0.871) 2.576 11.567 ( -0.239 -0.248 9.418) 9.425 11.885 ( -6.770 -6.644 -5.516) 10.973 ======================= Grid point 763 (239/288) ======================= q-point: ( 0.40 0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( -5.947 -15.390 -2.029) 16.623 2.478 ( -15.793 -18.373 -4.447) 24.633 3.380 ( 0.325 -5.700 1.002) 5.796 3.523 ( -7.421 -9.113 -4.676) 12.648 5.132 ( 3.013 -2.818 23.688) 24.044 5.285 ( -2.268 -3.801 23.063) 23.483 5.871 ( 3.465 4.250 -3.521) 6.517 5.966 ( -3.988 -2.773 -1.259) 5.018 7.263 ( 5.839 9.368 -5.471) 12.320 7.442 ( -2.924 3.202 1.098) 4.473 8.173 ( 17.097 16.662 13.033) 27.199 8.608 ( -2.851 8.588 -0.945) 9.098 8.672 ( 2.168 2.809 -5.472) 6.522 8.756 ( -2.209 7.379 -4.180) 8.763 10.241 ( 8.491 -4.809 -3.054) 10.225 10.559 ( -5.712 -4.815 -1.522) 7.625 11.581 ( 1.892 -0.450 6.071) 6.375 11.754 ( -6.603 -4.074 -2.068) 8.030 ======================= Grid point 764 (240/288) ======================= q-point: (-0.50 0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( -6.059 -17.290 -5.224) 19.051 2.261 ( 6.059 -17.290 -5.224) 19.051 3.417 ( -3.699 -7.552 -1.046) 8.474 3.417 ( 3.699 -7.552 -1.046) 8.474 5.209 ( -4.703 -5.431 23.791) 24.852 5.209 ( 4.703 -5.431 23.791) 24.852 5.919 ( -1.922 1.914 -1.683) 3.192 5.919 ( 1.922 1.914 -1.683) 3.192 7.365 ( -4.844 6.878 -2.492) 8.773 7.365 ( 4.844 6.878 -2.492) 8.773 8.462 ( -12.223 16.041 7.330) 21.458 8.462 ( 12.223 16.041 7.330) 21.458 8.710 ( -2.009 3.563 -5.899) 7.179 8.710 ( 2.009 3.563 -5.899) 7.179 10.416 ( -8.899 -6.633 -2.684) 11.418 10.416 ( 8.899 -6.633 -2.684) 11.418 11.644 ( -4.656 -1.787 2.058) 5.395 11.644 ( 4.656 -1.787 2.058) 5.395 ======================= Grid point 770 (241/288) ======================= q-point: ( 0.00 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.865 ( 0.000 -4.223 8.109) 9.143 3.222 ( 0.000 -20.670 -8.483) 22.343 3.778 ( 0.000 2.036 9.997) 10.202 3.825 ( 0.000 0.537 11.981) 11.993 5.244 ( 0.000 11.770 1.725) 11.896 5.542 ( 0.000 10.142 13.755) 17.090 5.783 ( 0.000 1.992 -15.305) 15.435 6.355 ( 0.000 12.113 -17.836) 21.560 6.548 ( 0.000 -23.747 8.064) 25.078 6.922 ( 0.000 -16.724 -8.123) 18.592 7.709 ( 0.000 13.489 27.613) 30.731 8.005 ( 0.000 -2.068 15.244) 15.383 8.578 ( 0.000 1.840 -5.226) 5.541 8.637 ( 0.000 -0.126 -9.511) 9.512 10.584 ( 0.000 5.209 -3.577) 6.319 10.588 ( 0.000 5.234 -4.782) 7.089 11.618 ( 0.000 2.694 7.937) 8.382 11.898 ( 0.000 -10.730 -5.477) 12.047 ======================= Grid point 771 (242/288) ======================= q-point: ( 0.10 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.803 ( -6.777 -4.345 7.578) 11.056 3.126 ( -10.054 -18.663 -6.378) 22.137 3.627 ( -9.521 4.832 5.504) 12.012 3.837 ( -3.718 -5.958 8.177) 10.779 5.258 ( 0.485 10.079 9.212) 13.663 5.415 ( -8.544 8.636 9.735) 15.568 5.786 ( 0.748 5.350 -10.737) 12.019 6.344 ( -14.290 -19.263 2.462) 24.111 6.599 ( 20.353 9.476 -14.261) 26.597 7.125 ( 13.758 -15.027 -2.851) 20.572 7.751 ( 4.443 13.582 25.098) 28.881 8.085 ( 8.681 -4.245 12.859) 16.085 8.589 ( 1.149 1.907 -5.115) 5.579 8.644 ( 0.824 -0.001 -9.420) 9.456 10.494 ( -5.801 8.536 -4.373) 11.208 10.633 ( 1.146 1.433 -3.239) 3.722 11.612 ( -0.622 2.661 7.739) 8.207 11.880 ( -1.820 -10.233 -5.078) 11.568 ======================= Grid point 772 (243/288) ======================= q-point: ( 0.20 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 704 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.594 ( -14.838 -4.232 4.085) 15.961 2.857 ( -17.207 -15.598 -3.380) 23.470 3.468 ( -6.944 2.342 1.749) 7.534 3.694 ( -9.728 -9.074 -1.612) 13.401 5.209 ( -4.589 6.659 22.757) 24.152 5.333 ( -1.387 4.406 13.369) 14.144 5.821 ( 2.970 5.776 -6.828) 9.424 6.103 ( -10.009 -11.782 -1.811) 15.565 6.990 ( 18.318 7.251 -9.812) 22.009 7.338 ( 7.989 -8.236 0.534) 11.486 7.890 ( 10.588 14.917 19.258) 26.561 8.332 ( 15.964 -8.025 6.949) 19.171 8.621 ( 2.146 2.135 -4.762) 5.642 8.670 ( 1.945 0.145 -9.241) 9.445 10.371 ( -6.800 10.371 -3.771) 12.962 10.628 ( -1.789 -2.275 -2.120) 3.587 11.596 ( -0.887 2.491 7.155) 7.628 11.830 ( -3.358 -8.787 -3.886) 10.178 ======================= Grid point 773 (244/288) ======================= q-point: ( 0.30 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.279 ( -16.390 -5.175 -1.727) 17.274 2.498 ( -19.405 -14.984 -4.273) 24.886 3.359 ( -4.431 -0.272 0.696) 4.493 3.512 ( -8.653 -8.125 -5.097) 12.918 5.134 ( -2.987 3.154 23.943) 24.334 5.287 ( -3.796 -2.041 23.589) 23.980 5.887 ( 3.388 4.025 -3.412) 6.270 5.977 ( -3.197 -3.347 -0.931) 4.721 7.257 ( 9.653 5.612 -5.871) 12.615 7.440 ( 3.152 -3.181 0.966) 4.582 8.161 ( 17.105 16.522 12.776) 26.996 8.612 ( 9.667 -3.799 -2.128) 10.602 8.670 ( 2.971 2.430 -3.532) 5.217 8.737 ( 6.715 -2.081 -5.054) 8.659 10.251 ( -5.079 8.763 -2.964) 10.553 10.563 ( -4.927 -5.430 -1.570) 7.498 11.582 ( -0.475 1.970 6.200) 6.523 11.756 ( -4.192 -6.541 -1.955) 8.012 ======================= Grid point 774 (245/288) ======================= q-point: ( 0.40 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 704 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( -8.880 -8.131 -6.545) 13.704 2.158 ( -14.829 -14.014 -7.743) 21.823 3.300 ( -1.661 -2.404 0.068) 2.923 3.374 ( -5.620 -6.207 -3.325) 9.010 5.101 ( -0.383 -0.256 23.612) 23.617 5.199 ( -4.790 -4.637 24.862) 25.740 5.937 ( 1.785 2.440 -0.561) 3.075 5.961 ( 0.484 1.126 4.302) 4.474 7.387 ( 4.589 4.329 -3.528) 7.228 7.470 ( 0.122 -0.054 -0.322) 0.349 8.493 ( 15.952 15.405 7.540) 23.423 8.692 ( 1.552 1.922 -7.370) 7.773 8.726 ( 2.901 2.881 -5.363) 6.743 8.872 ( 3.171 1.888 2.784) 4.623 10.207 ( 1.221 1.786 -2.773) 3.517 10.442 ( -7.480 -7.165 -1.904) 10.532 11.583 ( 0.756 0.805 4.822) 4.947 11.677 ( -3.890 -3.818 0.473) 5.471 ======================= Grid point 775 (246/288) ======================= q-point: (-0.50 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( -3.735 -11.623 -9.019) 15.178 1.972 ( 3.735 -11.623 -9.019) 15.178 3.301 ( -1.898 -4.318 -1.143) 4.854 3.301 ( 1.898 -4.318 -1.143) 4.854 5.124 ( -2.760 -3.241 23.840) 24.217 5.124 ( 2.760 -3.241 23.840) 24.217 5.961 ( -0.697 1.981 3.677) 4.234 5.961 ( 0.697 1.981 3.677) 4.234 7.450 ( -2.155 2.422 -1.927) 3.771 7.450 ( 2.155 2.422 -1.927) 3.771 8.687 ( -3.154 5.518 -4.294) 7.671 8.687 ( 3.154 5.518 -4.294) 7.671 8.821 ( -6.948 8.354 2.706) 11.198 8.821 ( 6.948 8.354 2.706) 11.198 10.295 ( -7.133 -5.414 -2.604) 9.325 10.295 ( 7.133 -5.414 -2.604) 9.325 11.614 ( -2.493 -1.184 2.890) 3.996 11.614 ( 2.493 -1.184 2.890) 3.996 ======================= Grid point 781 (247/288) ======================= q-point: ( 0.00 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.920 ( 0.000 -9.896 -1.790) 10.057 2.920 ( 0.000 9.896 -1.790) 10.057 3.815 ( 0.000 -1.438 13.147) 13.225 3.815 ( 0.000 1.438 13.147) 13.225 5.463 ( 0.000 -10.470 -5.334) 11.750 5.463 ( 0.000 10.470 -5.334) 11.750 6.096 ( 0.000 -22.660 7.222) 23.783 6.096 ( 0.000 22.660 7.222) 23.783 6.616 ( 0.000 -14.972 -12.954) 19.798 6.616 ( 0.000 14.972 -12.954) 19.798 7.914 ( 0.000 -7.704 22.569) 23.847 7.914 ( 0.000 7.704 22.569) 23.847 8.615 ( 0.000 -1.835 -7.207) 7.437 8.615 ( 0.000 1.835 -7.207) 7.437 10.637 ( 0.000 -0.172 -4.507) 4.510 10.637 ( 0.000 0.172 -4.507) 4.510 11.718 ( 0.000 -7.638 0.756) 7.675 11.718 ( 0.000 7.638 0.756) 7.675 ======================= Grid point 783 (248/288) ======================= q-point: ( 0.10 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.849 ( -7.559 -9.088 -1.326) 11.895 2.849 ( -7.559 9.088 -1.326) 11.895 3.728 ( -8.182 -5.551 8.332) 12.930 3.728 ( -8.182 5.551 8.332) 12.930 5.424 ( -3.893 -6.087 5.776) 9.250 5.424 ( -3.893 6.087 5.776) 9.250 6.001 ( -5.949 -15.953 -1.615) 17.103 6.001 ( -5.949 15.953 -1.615) 17.103 6.833 ( 17.597 -14.484 -8.784) 24.426 6.833 ( 17.597 14.484 -8.784) 24.426 7.965 ( 5.649 -8.648 20.291) 22.769 7.965 ( 5.649 8.648 20.291) 22.769 8.626 ( 1.099 -1.710 -7.043) 7.330 8.626 ( 1.099 1.710 -7.043) 7.330 10.612 ( -2.555 -3.678 -4.140) 6.099 10.612 ( -2.555 3.678 -4.140) 6.099 11.708 ( -0.995 -7.323 0.938) 7.449 11.708 ( -0.995 7.323 0.938) 7.449 ======================= Grid point 785 (249/288) ======================= q-point: ( 0.20 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.625 ( -15.562 -7.478 -1.734) 17.353 2.625 ( -15.562 7.478 -1.734) 17.353 3.550 ( -9.321 -6.025 1.092) 11.152 3.550 ( -9.321 6.025 1.092) 11.152 5.327 ( -5.875 -4.461 20.272) 21.572 5.327 ( -5.875 4.461 20.272) 21.572 5.933 ( -1.178 -6.593 -6.013) 9.000 5.933 ( -1.178 6.593 -6.013) 9.000 7.157 ( 14.366 -9.786 -5.496) 18.230 7.157 ( 14.366 9.786 -5.496) 18.230 8.144 ( 13.192 -11.554 13.950) 22.408 8.144 ( 13.192 11.554 13.950) 22.408 8.657 ( 2.128 -1.431 -6.628) 7.107 8.657 ( 2.128 1.431 -6.628) 7.107 10.540 ( -4.985 -6.896 -3.317) 9.133 10.540 ( -4.985 6.896 -3.317) 9.133 11.682 ( -1.719 -6.348 1.467) 6.739 11.682 ( -1.719 6.348 1.467) 6.739 ======================= Grid point 787 (250/288) ======================= q-point: ( 0.30 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.288 ( -18.313 -6.142 -4.933) 19.936 2.288 ( -18.313 6.142 -4.933) 19.936 3.394 ( -6.715 -4.020 -1.474) 7.964 3.394 ( -6.715 4.020 -1.474) 7.964 5.214 ( -5.578 -4.711 24.288) 25.361 5.214 ( -5.578 4.711 24.288) 25.361 5.939 ( 1.348 -1.759 -1.308) 2.574 5.939 ( 1.348 1.760 -1.308) 2.574 7.359 ( 7.030 -5.002 -2.894) 9.100 7.359 ( 7.030 5.002 -2.894) 9.100 8.446 ( 16.823 -12.649 6.702) 22.089 8.446 ( 16.823 12.649 6.702) 22.089 8.706 ( 3.135 -1.435 -5.556) 6.539 8.706 ( 3.135 1.435 -5.556) 6.539 10.426 ( -6.686 -8.696 -2.650) 11.285 10.426 ( -6.686 8.696 -2.650) 11.285 11.646 ( -1.873 -4.701 2.232) 5.531 11.646 ( -1.873 4.701 2.232) 5.531 ======================= Grid point 789 (251/288) ======================= q-point: ( 0.40 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( -12.406 -3.758 -8.936) 15.744 1.980 ( -12.406 3.758 -8.936) 15.744 3.294 ( -3.655 -1.940 -1.232) 4.317 3.294 ( -3.655 1.940 -1.232) 4.317 5.125 ( -3.385 -2.772 23.973) 24.369 5.125 ( -3.385 2.772 23.973) 24.369 5.968 ( 1.336 -0.716 3.827) 4.117 5.968 ( 1.336 0.716 3.827) 4.117 7.447 ( 2.642 -2.179 -2.054) 3.994 7.447 ( 2.642 2.179 -2.054) 3.994 8.689 ( 5.626 -3.468 -4.936) 8.249 8.689 ( 5.626 3.468 -4.936) 8.249 8.811 ( 8.921 -6.509 3.216) 11.502 8.811 ( 8.921 6.509 3.216) 11.501 10.300 ( -5.788 -7.050 -2.590) 9.482 10.300 ( -5.788 7.050 -2.590) 9.482 11.615 ( -1.246 -2.501 2.955) 4.067 11.615 ( -1.246 2.501 2.955) 4.067 ======================= Grid point 791 (252/288) ======================= q-point: (-0.50 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( 0.000 0.000 -10.808) 10.808 1.855 ( 0.000 0.000 -10.808) 10.808 3.259 ( 0.000 0.000 -0.868) 0.868 3.259 ( 0.000 0.000 -0.868) 0.868 5.092 ( 0.000 0.000 23.568) 23.568 5.092 ( 0.000 0.000 23.568) 23.568 5.982 ( 0.000 0.000 5.697) 5.697 5.982 ( 0.000 0.000 5.697) 5.697 7.471 ( 0.000 0.000 -1.947) 1.947 7.471 ( 0.000 0.000 -1.947) 1.947 8.729 ( 0.000 0.000 -7.733) 7.733 8.729 ( 0.000 0.000 -7.733) 7.733 8.921 ( -0.000 -0.000 5.456) 5.456 8.921 ( 0.000 0.000 5.456) 5.456 10.238 ( 0.000 0.000 -2.792) 2.792 10.238 ( 0.000 0.000 -2.792) 2.792 11.602 ( 0.000 0.000 3.260) 3.260 11.602 ( 0.000 0.000 3.260) 3.260 ======================= Grid point 847 (253/288) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.535 ( 0.000 0.000 -0.022) 0.022 3.535 ( 0.000 0.000 0.022) 0.022 4.550 ( 0.000 0.000 -25.269) 25.269 4.550 ( 0.000 0.000 25.269) 25.269 5.133 ( 0.000 0.000 -0.058) 0.058 5.133 ( 0.000 0.000 0.058) 0.058 5.446 ( 0.000 0.000 -0.019) 0.019 5.446 ( 0.000 0.000 0.019) 0.019 7.167 ( 0.000 0.000 -24.215) 24.215 7.167 ( 0.000 0.000 24.215) 24.215 8.037 ( 0.000 0.000 -6.042) 6.042 8.037 ( 0.000 0.000 6.042) 6.042 8.494 ( 0.000 0.000 -0.015) 0.015 8.494 ( 0.000 0.000 0.015) 0.015 9.966 ( 0.000 0.000 -0.007) 0.007 9.966 ( 0.000 0.000 0.007) 0.007 12.152 ( 0.000 0.000 -19.931) 19.931 12.152 ( 0.000 0.000 19.931) 19.931 ======================= Grid point 849 (254/288) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.575 ( 4.044 0.000 -0.127) 4.046 3.575 ( 4.044 0.000 0.127) 4.046 4.341 ( -19.436 0.000 -24.006) 30.888 4.341 ( -19.436 0.000 24.006) 30.888 5.183 ( 4.844 0.000 -0.404) 4.861 5.183 ( 4.844 0.000 0.404) 4.861 5.497 ( 3.958 0.000 -0.023) 3.958 5.497 ( 3.958 0.000 0.023) 3.958 7.258 ( 8.584 0.000 -21.919) 23.540 7.258 ( 8.584 0.000 21.919) 23.540 7.926 ( -10.527 0.000 -4.970) 11.641 7.926 ( -10.527 0.000 4.970) 11.641 8.496 ( 0.126 0.000 -0.057) 0.138 8.496 ( 0.126 0.000 0.057) 0.138 10.048 ( 7.796 0.000 -0.002) 7.796 10.048 ( 7.796 0.000 0.002) 7.796 12.114 ( -3.861 0.000 -19.153) 19.538 12.114 ( -3.861 0.000 19.153) 19.538 ======================= Grid point 851 (255/288) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.679 ( 6.423 0.000 -0.784) 6.471 3.679 ( 6.423 0.000 0.784) 6.471 3.892 ( -25.785 0.000 -21.228) 33.399 3.892 ( -25.785 0.000 21.228) 33.399 5.301 ( 6.733 0.000 -8.715) 11.013 5.301 ( 6.733 0.000 8.715) 11.013 5.571 ( 4.218 0.000 -3.642) 5.572 5.571 ( 4.218 0.000 3.642) 5.572 7.385 ( -2.052 0.000 -10.114) 10.321 7.385 ( -2.052 0.000 10.115) 10.321 7.744 ( -1.835 0.000 -13.831) 13.952 7.744 ( -1.835 0.000 13.831) 13.952 8.498 ( 0.167 0.000 -0.118) 0.205 8.498 ( 0.167 0.000 0.118) 0.205 10.229 ( 10.253 0.000 -0.013) 10.253 10.229 ( 10.253 0.000 0.013) 10.253 12.012 ( -6.502 0.000 -16.820) 18.033 12.012 ( -6.502 0.000 16.820) 18.033 ======================= Grid point 853 (256/288) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.405 ( -23.861 0.000 -16.614) 29.076 3.405 ( -23.861 0.000 16.614) 29.076 3.805 ( 6.334 0.000 -1.390) 6.485 3.805 ( 6.334 0.000 1.390) 6.485 5.395 ( 2.256 0.000 -20.657) 20.780 5.395 ( 2.256 0.000 20.657) 20.780 5.706 ( 10.871 0.000 -18.756) 21.679 5.706 ( 10.871 0.000 18.756) 21.679 7.124 ( -19.576 0.000 -3.786) 19.938 7.124 ( -19.576 0.000 3.786) 19.938 7.900 ( 12.121 0.000 -16.742) 20.669 7.900 ( 12.121 0.000 16.742) 20.669 8.501 ( 0.127 0.000 -0.130) 0.181 8.501 ( 0.127 0.000 0.130) 0.181 10.414 ( 8.523 0.000 -0.025) 8.523 10.414 ( 8.523 0.000 0.025) 8.523 11.879 ( -6.897 0.000 -12.854) 14.588 11.879 ( -6.897 0.000 12.854) 14.588 ======================= Grid point 855 (257/288) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.024 ( -14.749 0.000 -9.434) 17.508 3.024 ( -14.749 0.000 9.434) 17.508 3.906 ( 3.890 0.000 -1.215) 4.075 3.906 ( 3.890 0.000 1.215) 4.075 5.405 ( -0.357 0.000 -12.375) 12.380 5.405 ( -0.357 0.000 12.375) 12.380 5.976 ( 16.577 0.000 -16.355) 23.287 5.976 ( 16.577 0.000 16.355) 23.287 6.729 ( -20.909 0.000 -6.350) 21.851 6.729 ( -20.909 0.000 6.350) 21.851 8.103 ( 7.973 0.000 -9.424) 12.344 8.103 ( 7.973 0.000 9.424) 12.344 8.503 ( 0.059 0.000 -0.084) 0.103 8.503 ( 0.059 0.000 0.084) 0.103 10.542 ( 4.685 0.000 -0.021) 4.685 10.542 ( 4.685 0.000 0.021) 4.685 11.766 ( -4.513 0.000 -7.120) 8.430 11.766 ( -4.513 0.000 7.120) 8.430 ======================= Grid point 857 (258/288) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.878 ( 0.000 0.000 0.000) 0.000 2.878 ( 0.000 0.000 0.000) 0.000 3.945 ( 0.000 0.000 0.000) 0.000 3.945 ( 0.000 0.000 0.000) 0.000 5.400 ( 0.000 0.000 0.000) 0.000 5.400 ( 0.000 0.000 0.000) 0.000 6.281 ( -0.000 0.000 0.000) 0.000 6.281 ( 0.000 0.000 0.000) 0.000 6.383 ( -0.000 0.000 -0.000) 0.000 6.383 ( 0.000 0.000 -0.000) 0.000 8.182 ( -0.000 0.000 0.000) 0.000 8.182 ( 0.000 0.000 0.000) 0.000 8.504 ( 0.000 0.000 0.000) 0.000 8.504 ( 0.000 0.000 0.000) 0.000 10.588 ( 0.000 0.000 0.000) 0.000 10.588 ( 0.000 0.000 0.000) 0.000 11.720 ( 0.000 0.000 0.000) 0.000 11.720 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 869 (259/288) ======================= q-point: ( 0.00 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.572 ( 0.000 3.769 -0.234) 3.776 3.572 ( 0.000 3.769 0.234) 3.776 4.341 ( 0.000 -19.372 -24.404) 31.158 4.341 ( 0.000 -19.372 24.404) 31.158 5.185 ( 0.000 5.009 -1.013) 5.110 5.185 ( 0.000 5.009 1.013) 5.110 5.493 ( 0.000 3.661 -0.164) 3.665 5.493 ( 0.000 3.661 0.164) 3.665 7.263 ( 0.000 9.022 -21.942) 23.724 7.263 ( 0.000 9.022 21.942) 23.724 7.926 ( 0.000 -10.547 -6.526) 12.403 7.926 ( 0.000 -10.547 6.526) 12.403 8.496 ( 0.000 0.145 -0.023) 0.147 8.496 ( 0.000 0.145 0.023) 0.147 10.047 ( 0.000 7.736 -0.004) 7.736 10.047 ( 0.000 7.736 0.004) 7.736 12.114 ( 0.000 -3.839 -19.222) 19.602 12.114 ( 0.000 -3.839 19.222) 19.602 ======================= Grid point 871 (260/288) ======================= q-point: ( 0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.480 ( -3.489 -3.418 0.000) 4.884 3.697 ( 6.242 5.603 0.000) 8.388 4.102 ( -16.122 -16.750 0.000) 23.248 4.344 ( -9.540 -8.573 -0.000) 12.826 5.126 ( -11.861 -12.382 0.000) 17.146 5.221 ( 4.373 4.728 -0.000) 6.441 5.229 ( 3.533 3.444 0.000) 4.934 5.884 ( 16.596 16.368 -0.000) 23.310 7.265 ( 3.850 4.267 0.000) 5.748 7.378 ( 7.310 7.781 -0.000) 10.676 7.618 ( -17.555 -17.472 0.000) 24.768 8.085 ( 3.354 3.230 -0.000) 4.657 8.497 ( 0.162 0.189 0.000) 0.249 8.499 ( 0.285 0.305 0.000) 0.418 9.983 ( 0.878 0.837 0.000) 1.213 10.218 ( 10.028 9.956 0.000) 14.131 12.071 ( -3.950 -3.944 0.000) 5.581 12.087 ( -3.218 -3.180 0.000) 4.524 ======================= Grid point 873 (261/288) ======================= q-point: ( 0.20 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.419 ( -4.706 -15.004 0.000) 15.725 3.745 ( -6.457 -2.269 0.000) 6.844 3.777 ( -15.280 -6.885 -0.000) 16.760 4.032 ( -14.882 4.186 -0.000) 15.460 5.079 ( 4.441 -18.271 0.000) 18.803 5.312 ( 5.186 0.925 0.000) 5.268 5.342 ( 7.621 4.193 -0.000) 8.699 6.111 ( 7.852 25.708 0.000) 26.880 7.162 ( -19.155 -17.984 0.000) 26.274 7.483 ( 1.539 4.311 0.000) 4.578 7.526 ( 11.993 -2.628 -0.000) 12.278 8.091 ( -0.550 16.430 -0.000) 16.439 8.501 ( 0.304 0.402 0.000) 0.504 8.506 ( 0.365 0.659 0.000) 0.754 10.077 ( 8.214 -5.936 0.000) 10.134 10.404 ( 8.808 8.582 0.000) 12.298 11.971 ( -6.193 -3.451 0.000) 7.090 11.997 ( -5.900 -2.203 -0.000) 6.298 ======================= Grid point 875 (262/288) ======================= q-point: ( 0.30 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.200 ( -16.667 -17.078 0.000) 23.863 3.372 ( -24.149 -5.659 -0.000) 24.803 3.646 ( 0.945 -5.485 0.000) 5.565 3.949 ( -0.519 0.128 0.000) 0.535 5.210 ( 7.885 -8.866 0.000) 11.866 5.445 ( 9.279 -4.590 0.000) 10.352 5.480 ( 5.800 4.893 -0.000) 7.588 6.239 ( 7.119 28.174 0.000) 29.060 6.760 ( -21.348 -19.901 0.000) 29.186 7.380 ( -11.940 9.284 0.000) 15.125 7.814 ( 15.632 -1.143 0.000) 15.674 8.132 ( 4.639 15.474 -0.000) 16.155 8.508 ( 0.345 0.742 0.000) 0.818 8.513 ( 0.346 1.121 0.000) 1.173 10.262 ( 10.260 -7.843 0.000) 12.914 10.541 ( 5.281 5.496 0.000) 7.622 11.847 ( -6.304 -2.541 0.000) 6.797 11.874 ( -6.563 -1.262 -0.000) 6.684 ======================= Grid point 877 (263/288) ======================= q-point: ( 0.40 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.908 ( -11.796 -11.240 0.000) 16.293 2.973 ( -15.918 -6.486 -0.000) 17.188 3.718 ( 5.376 -10.570 0.000) 11.858 3.914 ( -3.335 -7.145 0.000) 7.885 5.354 ( 6.982 2.038 0.000) 7.273 5.533 ( -0.545 6.973 -0.000) 6.994 5.675 ( 14.523 -11.367 -0.000) 18.442 6.343 ( -15.934 -11.318 0.000) 19.545 6.448 ( 8.975 18.436 0.000) 20.505 7.083 ( -17.715 16.473 0.000) 24.191 8.076 ( 10.982 0.803 0.000) 11.012 8.217 ( 3.007 8.698 -0.000) 9.203 8.514 ( 0.322 1.166 -0.000) 1.210 8.518 ( 0.205 1.567 0.000) 1.580 10.444 ( 8.261 -5.976 0.000) 10.195 10.599 ( 0.662 1.676 0.000) 1.802 11.746 ( -3.857 -1.552 0.000) 4.158 11.763 ( -4.598 -0.730 -0.000) 4.655 ======================= Grid point 879 (264/288) ======================= q-point: (-0.50 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.801 ( -1.518 -8.127 0.000) 8.268 2.801 ( 1.518 -8.127 0.000) 8.268 3.827 ( -5.488 -10.927 0.000) 12.228 3.827 ( 5.488 -10.927 0.000) 12.228 5.473 ( -5.119 6.843 0.000) 8.546 5.473 ( 5.119 6.843 0.000) 8.546 5.988 ( -17.870 -15.155 0.000) 23.432 5.988 ( 17.870 -15.155 0.000) 23.432 6.738 ( -17.526 21.019 0.000) 27.367 6.738 ( 17.526 21.019 0.000) 27.367 8.216 ( -3.552 3.857 0.000) 5.243 8.216 ( 3.552 3.857 0.000) 5.243 8.519 ( -0.139 1.573 0.000) 1.579 8.519 ( 0.139 1.573 0.000) 1.579 10.565 ( -4.185 -2.371 0.000) 4.810 10.565 ( 4.185 -2.371 0.000) 4.810 11.712 ( -0.473 -0.848 0.000) 0.971 11.712 ( 0.473 -0.848 0.000) 0.971 ======================= Grid point 891 (265/288) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.661 ( 0.000 3.834 -0.314) 3.847 3.661 ( 0.000 3.834 0.314) 3.847 3.907 ( 0.000 -22.954 -20.053) 30.479 3.907 ( 0.000 -22.954 20.053) 30.479 5.306 ( 0.000 6.750 -8.633) 10.958 5.306 ( 0.000 6.750 8.633) 10.958 5.561 ( 0.000 3.968 -5.552) 6.824 5.561 ( 0.000 3.968 5.552) 6.824 7.399 ( 0.000 -1.893 -10.371) 10.542 7.399 ( 0.000 -1.893 10.371) 10.542 7.742 ( 0.000 -1.801 -15.882) 15.984 7.742 ( 0.000 -1.801 15.882) 15.984 8.499 ( 0.000 0.211 -0.009) 0.212 8.499 ( 0.000 0.211 0.009) 0.212 10.227 ( 0.000 10.257 -0.020) 10.257 10.227 ( 0.000 10.257 0.020) 10.257 12.013 ( 0.000 -6.447 -17.036) 18.215 12.013 ( 0.000 -6.447 17.036) 18.215 ======================= Grid point 893 (266/288) ======================= q-point: ( 0.10 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.438 ( -14.995 -2.195 0.000) 15.155 3.709 ( -1.034 -8.636 0.000) 8.698 3.746 ( -6.703 -18.319 -0.000) 19.507 4.083 ( 3.332 -11.787 -0.000) 12.249 5.061 ( -17.999 3.517 0.000) 18.340 5.313 ( 0.624 5.391 0.000) 5.427 5.352 ( 4.094 8.307 -0.000) 9.262 6.105 ( 25.893 7.442 0.000) 26.941 7.167 ( -18.282 -18.987 0.000) 26.358 7.494 ( 3.875 2.101 0.000) 4.407 7.531 ( -2.705 12.226 -0.000) 12.522 8.084 ( 16.383 -1.162 -0.000) 16.424 8.502 ( 0.395 0.396 0.000) 0.559 8.506 ( 0.639 0.385 0.000) 0.746 10.077 ( -5.817 8.324 0.000) 10.155 10.403 ( 8.646 8.777 0.000) 12.320 11.971 ( -3.476 -6.188 0.000) 7.097 11.999 ( -2.219 -5.788 -0.000) 6.199 ======================= Grid point 895 (267/288) ======================= q-point: ( 0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.134 ( -16.154 -14.625 0.000) 21.791 3.592 ( -13.797 -15.219 0.000) 20.542 3.627 ( -5.561 -7.962 0.000) 9.712 3.951 ( -11.915 -9.324 -0.000) 15.130 4.990 ( 8.446 7.604 0.000) 11.365 5.337 ( 1.867 1.803 0.000) 2.595 5.461 ( 6.973 7.897 -0.000) 10.535 6.506 ( 15.427 14.957 0.000) 21.487 6.778 ( -20.869 -20.539 0.000) 29.281 7.540 ( 0.408 1.021 0.000) 1.099 7.604 ( 9.577 9.770 -0.000) 13.681 8.331 ( 8.910 8.080 0.000) 12.028 8.513 ( 0.712 0.829 0.000) 1.092 8.525 ( 1.365 1.369 0.000) 1.933 10.032 ( 1.592 1.824 0.000) 2.422 10.544 ( 5.816 5.780 0.000) 8.200 11.887 ( -5.094 -5.104 0.000) 7.211 11.932 ( -4.569 -4.433 0.000) 6.367 ======================= Grid point 897 (268/288) ======================= q-point: ( 0.30 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.836 ( -14.506 -19.509 0.000) 24.311 3.188 ( -24.348 -14.230 0.000) 28.201 3.547 ( -2.488 -5.447 0.000) 5.988 3.792 ( -5.765 -12.813 -0.000) 14.050 5.231 ( 14.320 9.337 0.000) 17.095 5.390 ( 3.951 -1.896 0.000) 4.382 5.594 ( 5.990 6.712 0.000) 8.996 6.391 ( -19.135 -17.957 0.000) 26.241 6.720 ( 8.344 20.681 0.000) 22.301 7.493 ( -5.575 3.052 0.000) 6.356 7.859 ( 15.582 6.294 0.000) 16.805 8.428 ( 1.874 12.372 0.000) 12.513 8.528 ( 0.844 1.383 0.000) 1.620 8.556 ( 1.561 4.701 0.000) 4.954 10.135 ( 8.435 -4.749 0.000) 9.680 10.617 ( 1.649 2.251 0.000) 2.790 11.787 ( -4.974 -3.575 0.000) 6.126 11.834 ( -5.385 -2.851 0.000) 6.093 ======================= Grid point 899 (269/288) ======================= q-point: ( 0.40 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.610 ( -8.084 -18.757 0.000) 20.425 2.773 ( -17.318 -14.547 0.000) 22.617 3.538 ( 1.484 -8.237 0.000) 8.369 3.690 ( -5.234 -13.593 0.000) 14.566 5.472 ( 7.939 5.190 0.000) 9.485 5.518 ( 12.006 -1.827 -0.000) 12.144 5.658 ( 0.139 5.232 0.000) 5.234 6.052 ( -16.168 -12.752 0.000) 20.592 6.885 ( 9.801 20.402 0.000) 22.634 7.331 ( -10.899 9.158 0.000) 14.236 8.145 ( 13.212 6.882 0.000) 14.896 8.425 ( -1.967 11.492 0.000) 11.659 8.545 ( 0.892 1.972 -0.000) 2.164 8.572 ( 0.058 5.019 0.000) 5.020 10.321 ( 10.168 -6.546 0.000) 12.093 10.603 ( -3.177 -1.396 0.000) 3.470 11.710 ( -2.774 -2.130 0.000) 3.498 11.739 ( -4.067 -1.642 0.000) 4.386 ======================= Grid point 901 (270/288) ======================= q-point: (-0.50 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.564 ( -4.059 -16.369 0.000) 16.865 2.564 ( 4.059 -16.369 0.000) 16.865 3.596 ( -4.289 -11.729 0.000) 12.489 3.596 ( 4.289 -11.729 0.000) 12.489 5.600 ( -5.603 2.390 0.000) 6.092 5.600 ( 5.603 2.390 -0.000) 6.092 5.770 ( -13.597 -4.424 0.000) 14.298 5.770 ( 13.597 -4.424 0.000) 14.298 7.101 ( -12.336 15.803 0.000) 20.048 7.101 ( 12.336 15.803 0.000) 20.048 8.342 ( -7.162 9.453 0.000) 11.860 8.342 ( 7.162 9.453 0.000) 11.860 8.562 ( -0.869 2.949 0.000) 3.074 8.562 ( 0.869 2.949 0.000) 3.074 10.497 ( -7.688 -4.710 0.000) 9.016 10.497 ( 7.688 -4.710 0.000) 9.016 11.690 ( -0.850 -1.353 0.000) 1.598 11.690 ( 0.850 -1.353 0.000) 1.598 ======================= Grid point 913 (271/288) ======================= q-point: ( 0.00 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.400 ( 0.000 -22.349 -16.191) 27.598 3.400 ( 0.000 -22.349 16.191) 27.598 3.819 ( 0.000 5.705 -1.195) 5.829 3.819 ( 0.000 5.705 1.195) 5.829 5.394 ( 0.000 1.694 -21.695) 21.761 5.394 ( 0.000 1.694 21.695) 21.761 5.697 ( 0.000 11.180 -22.315) 24.959 5.697 ( 0.000 11.180 22.315) 24.959 7.134 ( 0.000 -19.793 -5.476) 20.536 7.134 ( 0.000 -19.793 5.476) 20.536 7.901 ( 0.000 12.116 -16.751) 20.674 7.901 ( 0.000 12.116 16.751) 20.674 8.503 ( 0.000 0.199 -0.215) 0.293 8.503 ( 0.000 0.199 0.215) 0.293 10.413 ( 0.000 8.597 -0.033) 8.597 10.413 ( 0.000 8.597 0.033) 8.597 11.882 ( 0.000 -6.807 -13.155) 14.811 11.882 ( 0.000 -6.807 13.155) 14.811 ======================= Grid point 915 (272/288) ======================= q-point: ( 0.10 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.244 ( -16.488 -17.375 0.000) 23.952 3.359 ( -4.783 -22.124 -0.000) 22.635 3.587 ( -6.591 2.000 0.000) 6.888 3.990 ( -0.643 -2.038 0.000) 2.137 5.182 ( -8.058 7.868 0.000) 11.262 5.452 ( -4.964 9.672 0.000) 10.872 5.503 ( 5.383 6.291 -0.000) 8.279 6.224 ( 28.234 6.681 0.000) 29.013 6.769 ( -19.909 -21.178 0.000) 29.066 7.392 ( 9.259 -12.359 0.000) 15.442 7.817 ( -1.396 15.342 0.000) 15.405 8.117 ( 14.672 4.532 -0.000) 15.356 8.511 ( 0.806 0.498 0.000) 0.948 8.514 ( 1.098 0.405 0.000) 1.170 10.265 ( -7.561 10.400 0.000) 12.858 10.540 ( 5.557 5.349 0.000) 7.713 11.848 ( -2.596 -6.235 0.000) 6.754 11.878 ( -1.226 -6.430 -0.000) 6.546 ======================= Grid point 917 (273/288) ======================= q-point: ( 0.20 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.863 ( -20.957 -13.366 0.000) 24.857 3.195 ( -13.600 -22.998 0.000) 26.718 3.507 ( -3.408 -3.908 0.000) 5.185 3.800 ( -14.430 -6.691 -0.000) 15.905 5.227 ( 10.291 14.555 0.000) 17.825 5.392 ( -2.059 4.349 0.000) 4.812 5.614 ( 5.969 7.004 0.000) 9.203 6.399 ( -18.238 -18.634 0.000) 26.074 6.708 ( 21.161 7.646 0.000) 22.500 7.500 ( 2.566 -5.594 0.000) 6.154 7.857 ( 6.060 15.128 0.000) 16.297 8.410 ( 13.292 1.072 0.000) 13.335 8.532 ( 1.306 1.094 0.000) 1.703 8.554 ( 4.191 1.485 0.000) 4.446 10.141 ( -4.760 8.811 0.000) 10.015 10.617 ( 2.299 1.738 0.000) 2.882 11.787 ( -3.572 -4.914 0.000) 6.075 11.837 ( -2.968 -5.207 0.000) 5.993 ======================= Grid point 919 (274/288) ======================= q-point: ( 0.30 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.491 ( -17.052 -15.736 0.000) 23.203 2.833 ( -22.278 -21.169 0.000) 30.732 3.443 ( -3.095 -4.942 0.000) 5.831 3.580 ( -8.088 -8.639 -0.000) 11.834 5.368 ( 0.123 0.250 0.000) 0.279 5.471 ( 13.091 13.520 -0.000) 18.819 5.705 ( 2.212 3.311 0.000) 3.982 6.093 ( -12.750 -12.116 0.000) 17.589 7.014 ( 11.278 10.598 0.000) 15.476 7.506 ( -1.699 -1.581 0.000) 2.321 8.056 ( 14.097 13.552 0.000) 19.555 8.534 ( 2.323 2.013 0.000) 3.074 8.559 ( 1.413 1.719 0.000) 2.225 8.706 ( 7.651 6.614 0.000) 10.114 10.108 ( 1.773 2.421 0.000) 3.001 10.622 ( -1.875 -1.768 0.000) 2.578 11.719 ( -3.308 -3.254 0.000) 4.640 11.771 ( -3.734 -3.537 0.000) 5.143 ======================= Grid point 921 (275/288) ======================= q-point: ( 0.40 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( -8.097 -18.290 0.000) 20.002 2.433 ( -17.608 -19.694 0.000) 26.418 3.400 ( -1.140 -6.171 0.000) 6.275 3.465 ( -4.409 -9.270 -0.000) 10.265 5.399 ( 3.336 -3.962 0.000) 5.179 5.649 ( -7.414 -6.921 -0.000) 10.142 5.701 ( 10.429 11.058 0.000) 15.200 5.943 ( -3.941 1.780 0.000) 4.324 7.184 ( 7.554 10.882 0.000) 13.247 7.440 ( -5.034 2.709 0.000) 5.716 8.346 ( 14.725 13.692 0.000) 20.107 8.561 ( 0.697 3.615 0.000) 3.681 8.585 ( 1.471 2.102 0.000) 2.566 8.759 ( -2.281 11.885 0.000) 12.102 10.210 ( 8.305 -4.414 0.000) 9.406 10.543 ( -6.316 -4.791 0.000) 7.928 11.670 ( -1.597 -1.843 0.000) 2.439 11.703 ( -3.031 -2.032 0.000) 3.649 ======================= Grid point 923 (276/288) ======================= q-point: (-0.50 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.209 ( -5.095 -19.351 0.000) 20.010 2.209 ( 5.095 -19.351 0.000) 20.010 3.405 ( -1.768 -8.007 0.000) 8.200 3.405 ( 1.768 -8.007 0.000) 8.200 5.499 ( -7.023 -7.447 0.000) 10.236 5.499 ( 7.023 -7.447 -0.000) 10.236 5.859 ( -6.019 7.814 0.000) 9.863 5.859 ( 6.019 7.814 0.000) 9.863 7.323 ( -6.926 7.538 0.000) 10.237 7.323 ( 6.926 7.538 0.000) 10.237 8.547 ( -3.808 8.876 0.000) 9.659 8.547 ( 3.808 8.876 0.000) 9.659 8.649 ( -6.941 8.179 0.000) 10.727 8.649 ( 6.941 8.179 0.000) 10.727 10.389 ( -9.403 -6.367 0.000) 11.356 10.389 ( 9.403 -6.367 0.000) 11.356 11.664 ( -0.945 -1.347 0.000) 1.645 11.664 ( 0.945 -1.347 0.000) 1.645 ======================= Grid point 935 (277/288) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.040 ( 0.000 -13.924 -9.458) 16.833 3.040 ( 0.000 -13.924 9.458) 16.833 3.918 ( 0.000 4.001 -1.556) 4.292 3.918 ( 0.000 4.001 1.556) 4.292 5.394 ( 0.000 -0.751 -13.082) 13.103 5.394 ( 0.000 -0.751 13.082) 13.103 5.973 ( 0.000 16.824 -18.901) 25.304 5.973 ( 0.000 16.824 18.901) 25.304 6.735 ( 0.000 -21.113 -8.655) 22.818 6.735 ( 0.000 -21.113 8.655) 22.818 8.102 ( 0.000 7.818 -9.029) 11.943 8.102 ( 0.000 7.818 9.029) 11.943 8.506 ( 0.000 0.110 -0.337) 0.355 8.506 ( 0.000 0.110 0.337) 0.355 10.543 ( 0.000 4.754 -0.024) 4.754 10.543 ( 0.000 4.754 0.024) 4.754 11.770 ( 0.000 -4.433 -7.341) 8.576 11.770 ( 0.000 -4.433 7.341) 8.576 ======================= Grid point 937 (278/288) ======================= q-point: ( 0.10 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.945 ( -10.022 -11.860 0.000) 15.528 2.992 ( -5.713 -14.679 -0.000) 15.752 3.682 ( -12.823 6.552 0.000) 14.400 3.928 ( -8.560 -4.756 0.000) 9.793 5.337 ( 3.067 8.011 0.000) 8.578 5.555 ( 8.259 -1.122 0.000) 8.335 5.687 ( -10.996 14.641 0.000) 18.310 6.354 ( -7.195 -13.477 0.000) 15.277 6.430 ( 14.152 6.790 0.000) 15.696 7.084 ( 16.321 -18.419 0.000) 24.610 8.071 ( 0.266 10.495 0.000) 10.498 8.202 ( 7.639 3.075 -0.000) 8.235 8.520 ( 1.339 0.413 -0.000) 1.401 8.521 ( 1.623 0.350 0.000) 1.660 10.448 ( -5.656 8.272 0.000) 10.021 10.600 ( 1.782 0.795 0.000) 1.951 11.749 ( -1.587 -3.714 0.000) 4.038 11.769 ( -0.668 -4.553 -0.000) 4.602 ======================= Grid point 939 (279/288) ======================= q-point: ( 0.20 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.652 ( -19.462 -7.637 0.000) 20.907 2.805 ( -14.347 -16.265 0.000) 21.688 3.487 ( -7.484 1.681 0.000) 7.670 3.675 ( -14.512 -6.497 0.000) 15.899 5.468 ( 4.517 8.802 0.000) 9.894 5.541 ( -0.494 12.470 -0.000) 12.480 5.689 ( 4.687 0.022 0.000) 4.687 6.070 ( -12.549 -15.645 0.000) 20.056 6.863 ( 20.724 9.626 0.000) 22.851 7.330 ( 8.999 -11.648 0.000) 14.719 8.129 ( 6.382 12.363 0.000) 13.913 8.396 ( 11.643 -2.371 0.000) 11.882 8.554 ( 2.041 1.127 -0.000) 2.332 8.574 ( 4.531 0.492 0.000) 4.558 10.332 ( -6.299 10.189 0.000) 11.979 10.606 ( -1.285 -2.955 0.000) 3.222 11.712 ( -2.139 -2.613 0.000) 3.377 11.745 ( -1.718 -3.998 0.000) 4.352 ======================= Grid point 941 (280/288) ======================= q-point: ( 0.30 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.263 ( -19.538 -7.269 0.000) 20.846 2.454 ( -20.808 -16.732 0.000) 26.701 3.375 ( -4.588 -1.794 0.000) 4.927 3.450 ( -8.585 -5.204 -0.000) 10.039 5.402 ( -4.072 3.577 0.000) 5.420 5.659 ( -7.772 -7.404 -0.000) 10.734 5.715 ( 10.514 11.294 0.000) 15.430 5.962 ( 1.107 -2.927 0.000) 3.129 7.173 ( 11.513 7.167 0.000) 13.562 7.437 ( 2.718 -5.465 0.000) 6.103 8.328 ( 13.996 13.454 0.000) 19.414 8.555 ( 4.378 0.159 0.000) 4.381 8.594 ( 2.020 2.058 0.000) 2.884 8.744 ( 11.997 -2.373 0.000) 12.229 10.221 ( -4.736 8.603 0.000) 9.820 10.547 ( -4.870 -6.018 0.000) 7.742 11.672 ( -1.916 -1.471 0.000) 2.416 11.707 ( -2.210 -2.916 0.000) 3.659 ======================= Grid point 943 (281/288) ======================= q-point: ( 0.40 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( -10.976 -10.124 0.000) 14.932 2.080 ( -16.430 -15.541 0.000) 22.616 3.308 ( -2.379 -3.235 0.000) 4.015 3.333 ( -4.024 -4.691 0.000) 6.181 5.355 ( -0.634 -0.434 0.000) 0.768 5.495 ( -7.755 -7.462 -0.000) 10.762 5.888 ( 7.272 8.043 0.000) 10.843 6.001 ( 1.259 2.193 0.000) 2.529 7.329 ( 5.689 5.213 0.000) 7.717 7.451 ( -0.857 -1.158 0.000) 1.441 8.611 ( 1.974 1.822 0.000) 2.686 8.613 ( 8.793 4.809 -0.000) 10.023 8.635 ( 7.739 11.064 -0.000) 13.502 8.916 ( 3.931 3.025 0.000) 4.960 10.180 ( 1.185 1.797 0.000) 2.152 10.423 ( -7.826 -7.516 0.000) 10.851 11.644 ( -0.861 -0.755 0.000) 1.145 11.666 ( -1.829 -1.693 0.000) 2.493 ======================= Grid point 945 (282/288) ======================= q-point: (-0.50 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( -3.409 -13.385 0.000) 13.812 1.881 ( 3.409 -13.385 0.000) 13.812 3.290 ( -0.610 -4.097 0.000) 4.142 3.290 ( 0.610 -4.097 0.000) 4.142 5.384 ( -3.718 -4.243 0.000) 5.642 5.384 ( 3.718 -4.243 -0.000) 5.642 5.987 ( -2.928 4.920 0.000) 5.725 5.987 ( 2.928 4.920 0.000) 5.725 7.412 ( -3.168 2.417 0.000) 3.985 7.412 ( 3.168 2.417 0.000) 3.985 8.633 ( -0.296 2.219 0.000) 2.238 8.633 ( 0.296 2.219 0.000) 2.238 8.866 ( -8.659 10.706 0.000) 13.770 8.866 ( 8.659 10.706 0.000) 13.770 10.269 ( -7.386 -5.484 0.000) 9.199 10.269 ( 7.386 -5.484 0.000) 9.199 11.642 ( -0.625 -0.839 0.000) 1.047 11.642 ( 0.625 -0.839 0.000) 1.047 ======================= Grid point 957 (283/288) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.902 ( 0.000 0.000 0.000) 0.000 2.902 ( 0.000 0.000 0.000) 0.000 3.958 ( 0.000 0.000 0.000) 0.000 3.958 ( 0.000 0.000 0.000) 0.000 5.385 ( 0.000 0.000 0.000) 0.000 5.385 ( 0.000 0.000 0.000) 0.000 6.280 ( 0.000 -0.000 0.000) 0.000 6.280 ( 0.000 0.000 0.000) 0.000 6.387 ( 0.000 -0.000 -0.000) 0.000 6.387 ( 0.000 0.000 -0.000) 0.000 8.179 ( 0.000 -0.000 0.000) 0.000 8.179 ( 0.000 0.000 0.000) 0.000 8.507 ( 0.000 0.000 0.000) 0.000 8.507 ( 0.000 0.000 0.000) 0.000 10.589 ( 0.000 0.000 0.000) 0.000 10.589 ( 0.000 0.000 0.000) 0.000 11.726 ( 0.000 0.000 0.000) 0.000 11.726 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 961 (284/288) ======================= q-point: ( 0.10 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.836 ( -7.226 -1.129 0.000) 7.314 2.836 ( -7.226 1.129 0.000) 7.314 3.814 ( -12.913 -6.841 0.000) 14.613 3.814 ( -12.913 6.841 0.000) 14.613 5.478 ( 8.291 -6.284 0.000) 10.403 5.478 ( 8.291 6.284 0.000) 10.403 6.001 ( -14.646 -17.928 0.000) 23.150 6.001 ( -14.646 17.928 0.000) 23.150 6.726 ( 20.459 -18.139 0.000) 27.342 6.726 ( 20.459 18.139 0.000) 27.342 8.204 ( 2.973 -3.279 0.000) 4.426 8.204 ( 2.973 3.279 0.000) 4.426 8.525 ( 1.768 -0.020 0.000) 1.768 8.525 ( 1.768 0.020 0.000) 1.768 10.569 ( -2.156 -4.071 0.000) 4.606 10.569 ( -2.156 4.071 0.000) 4.606 11.717 ( -0.821 -0.570 0.000) 1.000 11.717 ( -0.821 0.570 0.000) 1.000 ======================= Grid point 965 (285/288) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.609 ( -16.515 -3.820 0.000) 16.951 2.609 ( -16.515 3.820 0.000) 16.951 3.558 ( -11.992 -5.335 0.000) 13.125 3.558 ( -11.992 5.335 0.000) 13.125 5.617 ( 1.633 -6.701 0.000) 6.897 5.617 ( 1.633 6.701 -0.000) 6.897 5.795 ( -3.302 -13.480 0.000) 13.878 5.795 ( -3.302 13.480 0.000) 13.878 7.085 ( 15.847 -13.000 0.000) 20.497 7.085 ( 15.847 13.000 0.000) 20.497 8.312 ( 8.731 -6.746 0.000) 11.034 8.312 ( 8.731 6.746 0.000) 11.034 8.572 ( 3.115 -0.667 0.000) 3.186 8.572 ( 3.115 0.667 0.000) 3.186 10.505 ( -4.484 -7.449 0.000) 8.694 10.505 ( -4.484 7.449 0.000) 8.694 11.696 ( -1.388 -0.957 0.000) 1.686 11.696 ( -1.388 0.957 0.000) 1.686 ======================= Grid point 969 (286/288) ======================= q-point: ( 0.30 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( -20.504 -5.121 0.000) 21.134 2.239 ( -20.504 5.121 0.000) 21.134 3.379 ( -6.927 -2.122 0.000) 7.245 3.379 ( -6.927 2.122 0.000) 7.245 5.507 ( -7.718 -7.208 0.000) 10.560 5.507 ( -7.718 7.208 -0.000) 10.561 5.886 ( 7.058 -6.278 0.000) 9.446 5.886 ( 7.058 6.278 0.000) 9.446 7.311 ( 7.883 -7.243 0.000) 10.705 7.311 ( 7.883 7.243 0.000) 10.705 8.519 ( 10.499 -5.265 0.000) 11.745 8.519 ( 10.499 5.265 0.000) 11.745 8.655 ( 6.908 -5.037 0.000) 8.549 8.655 ( 6.908 5.037 0.000) 8.549 10.399 ( -6.434 -9.135 0.000) 11.173 10.399 ( -6.434 9.135 0.000) 11.173 11.667 ( -1.474 -0.997 0.000) 1.779 11.667 ( -1.474 0.997 0.000) 1.779 ======================= Grid point 973 (287/288) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( -14.252 -3.423 0.000) 14.657 1.890 ( -14.252 3.423 0.000) 14.657 3.282 ( -3.339 -0.660 0.000) 3.404 3.282 ( -3.339 0.660 0.000) 3.404 5.386 ( -4.485 -3.745 0.000) 5.842 5.386 ( -4.485 3.745 -0.000) 5.842 5.996 ( 4.068 -2.976 0.000) 5.040 5.996 ( 4.068 2.976 0.000) 5.040 7.407 ( 2.807 -3.218 0.000) 4.270 7.407 ( 2.807 3.218 0.000) 4.270 8.631 ( 2.616 -0.147 0.000) 2.620 8.631 ( 2.616 0.147 0.000) 2.620 8.859 ( 11.095 -8.386 0.000) 13.908 8.859 ( 11.095 8.386 0.000) 13.908 10.274 ( -5.876 -7.285 0.000) 9.360 10.274 ( -5.876 7.285 0.000) 9.360 11.643 ( -0.960 -0.634 0.000) 1.151 11.643 ( -0.960 0.634 0.000) 1.151 ======================= Grid point 977 (288/288) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( 0.000 0.000 0.000) 0.000 1.746 ( 0.000 0.000 0.000) 0.000 3.250 ( 0.000 0.000 0.000) 0.000 3.250 ( 0.000 0.000 0.000) 0.000 5.342 ( 0.000 0.000 0.000) 0.000 5.342 ( 0.000 0.000 0.000) 0.000 6.035 ( 0.000 0.000 0.000) 0.000 6.035 ( 0.000 0.000 0.000) 0.000 7.433 ( 0.000 0.000 0.000) 0.000 7.433 ( 0.000 0.000 0.000) 0.000 8.654 ( 0.000 0.000 0.000) 0.000 8.654 ( 0.000 0.000 0.000) 0.000 8.979 ( -0.000 -0.000 0.000) 0.000 8.979 ( 0.000 0.000 0.000) 0.000 10.210 ( 0.000 0.000 0.000) 0.000 10.210 ( 0.000 0.000 0.000) 0.000 11.634 ( 0.000 0.000 0.000) 0.000 11.634 ( 0.000 0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/25200 10.0 2678.527 2316.180 2619.038 0.000 0.000 -0.000 3/25200 20.0 484.471 461.206 623.135 0.000 0.000 -0.000 3/25200 30.0 192.661 190.563 268.102 0.000 0.000 -0.000 3/25200 40.0 106.451 106.586 147.991 0.000 0.000 -0.000 3/25200 50.0 70.022 70.483 97.014 0.000 0.000 -0.000 3/25200 60.0 50.824 51.310 70.772 0.000 0.000 -0.000 3/25200 70.0 39.274 39.721 55.218 0.000 0.000 -0.000 3/25200 80.0 31.718 32.116 45.060 0.000 0.000 -0.000 3/25200 90.0 26.479 26.830 37.965 0.000 0.000 -0.000 3/25200 100.0 22.678 22.989 32.762 0.000 0.000 -0.000 3/25200 110.0 19.820 20.097 28.802 0.000 0.000 -0.000 3/25200 120.0 17.604 17.852 25.695 0.000 0.000 -0.000 3/25200 130.0 15.841 16.066 23.199 0.000 0.000 -0.000 3/25200 140.0 14.408 14.613 21.151 0.000 0.000 -0.000 3/25200 150.0 13.221 13.409 19.443 0.000 0.000 -0.000 3/25200 160.0 12.222 12.395 17.996 0.000 0.000 -0.000 3/25200 170.0 11.369 11.529 16.754 0.000 0.000 -0.000 3/25200 180.0 10.632 10.781 15.678 0.000 0.000 -0.000 3/25200 190.0 9.989 10.129 14.735 0.000 0.000 -0.000 3/25200 200.0 9.422 9.554 13.903 0.000 0.000 -0.000 3/25200 210.0 8.919 9.043 13.162 0.000 0.000 -0.000 3/25200 220.0 8.469 8.586 12.498 0.000 0.000 -0.000 3/25200 230.0 8.064 8.175 11.900 0.000 0.000 -0.000 3/25200 240.0 7.697 7.802 11.358 0.000 0.000 -0.000 3/25200 250.0 7.363 7.464 10.865 0.000 0.000 -0.000 3/25200 260.0 7.058 7.154 10.413 0.000 0.000 -0.000 3/25200 270.0 6.778 6.870 9.999 0.000 0.000 -0.000 3/25200 280.0 6.519 6.608 9.617 0.000 0.000 -0.000 3/25200 290.0 6.281 6.366 9.264 0.000 0.000 -0.000 3/25200 300.0 6.059 6.141 8.936 0.000 0.000 -0.000 3/25200 310.0 5.854 5.933 8.632 0.000 0.000 -0.000 3/25200 320.0 5.661 5.738 8.347 0.000 0.000 -0.000 3/25200 330.0 5.482 5.556 8.082 0.000 0.000 -0.000 3/25200 340.0 5.314 5.385 7.833 0.000 0.000 -0.000 3/25200 350.0 5.156 5.225 7.599 0.000 0.000 -0.000 3/25200 360.0 5.007 5.074 7.379 0.000 0.000 -0.000 3/25200 370.0 4.866 4.932 7.171 0.000 0.000 -0.000 3/25200 380.0 4.734 4.797 6.975 0.000 0.000 -0.000 3/25200 390.0 4.609 4.670 6.790 0.000 0.000 -0.000 3/25200 400.0 4.490 4.550 6.614 0.000 0.000 -0.000 3/25200 410.0 4.377 4.435 6.447 0.000 0.000 -0.000 3/25200 420.0 4.270 4.327 6.289 0.000 0.000 -0.000 3/25200 430.0 4.168 4.223 6.138 0.000 0.000 -0.000 3/25200 440.0 4.071 4.125 5.995 0.000 0.000 -0.000 3/25200 450.0 3.978 4.031 5.858 0.000 0.000 -0.000 3/25200 460.0 3.890 3.941 5.727 0.000 0.000 -0.000 3/25200 470.0 3.805 3.856 5.602 0.000 0.000 -0.000 3/25200 480.0 3.724 3.774 5.483 0.000 0.000 -0.000 3/25200 490.0 3.647 3.695 5.368 0.000 0.000 -0.000 3/25200 500.0 3.572 3.620 5.259 0.000 0.000 -0.000 3/25200 510.0 3.501 3.547 5.153 0.000 0.000 -0.000 3/25200 520.0 3.432 3.478 5.052 0.000 0.000 -0.000 3/25200 530.0 3.367 3.411 4.955 0.000 0.000 -0.000 3/25200 540.0 3.303 3.347 4.861 0.000 0.000 -0.000 3/25200 550.0 3.242 3.285 4.771 0.000 0.000 -0.000 3/25200 560.0 3.183 3.225 4.685 0.000 0.000 -0.000 3/25200 570.0 3.127 3.168 4.601 0.000 0.000 -0.000 3/25200 580.0 3.072 3.113 4.520 0.000 0.000 -0.000 3/25200 590.0 3.019 3.059 4.443 0.000 0.000 -0.000 3/25200 600.0 2.968 3.007 4.367 0.000 0.000 -0.000 3/25200 610.0 2.919 2.957 4.295 0.000 0.000 -0.000 3/25200 620.0 2.871 2.909 4.225 0.000 0.000 -0.000 3/25200 630.0 2.825 2.862 4.157 0.000 0.000 -0.000 3/25200 640.0 2.781 2.817 4.091 0.000 0.000 -0.000 3/25200 650.0 2.737 2.773 4.027 0.000 0.000 -0.000 3/25200 660.0 2.695 2.731 3.965 0.000 0.000 -0.000 3/25200 670.0 2.655 2.690 3.905 0.000 0.000 -0.000 3/25200 680.0 2.615 2.650 3.847 0.000 0.000 -0.000 3/25200 690.0 2.577 2.611 3.791 0.000 0.000 -0.000 3/25200 700.0 2.540 2.573 3.736 0.000 0.000 -0.000 3/25200 710.0 2.504 2.537 3.683 0.000 0.000 -0.000 3/25200 720.0 2.469 2.501 3.631 0.000 0.000 -0.000 3/25200 730.0 2.435 2.466 3.581 0.000 0.000 -0.000 3/25200 740.0 2.401 2.433 3.532 0.000 0.000 -0.000 3/25200 750.0 2.369 2.400 3.484 0.000 0.000 -0.000 3/25200 760.0 2.338 2.368 3.438 0.000 0.000 -0.000 3/25200 770.0 2.307 2.337 3.393 0.000 0.000 -0.000 3/25200 780.0 2.277 2.307 3.349 0.000 0.000 -0.000 3/25200 790.0 2.248 2.278 3.306 0.000 0.000 -0.000 3/25200 800.0 2.220 2.249 3.265 0.000 0.000 -0.000 3/25200 810.0 2.192 2.221 3.224 0.000 0.000 -0.000 3/25200 820.0 2.165 2.194 3.184 0.000 0.000 -0.000 3/25200 830.0 2.139 2.167 3.146 0.000 0.000 -0.000 3/25200 840.0 2.113 2.141 3.108 0.000 0.000 -0.000 3/25200 850.0 2.088 2.116 3.071 0.000 0.000 -0.000 3/25200 860.0 2.064 2.091 3.035 0.000 0.000 -0.000 3/25200 870.0 2.040 2.067 3.000 0.000 0.000 -0.000 3/25200 880.0 2.017 2.043 2.966 0.000 0.000 -0.000 3/25200 890.0 1.994 2.020 2.932 0.000 0.000 -0.000 3/25200 900.0 1.972 1.998 2.899 0.000 0.000 -0.000 3/25200 910.0 1.950 1.975 2.867 0.000 0.000 -0.000 3/25200 920.0 1.929 1.954 2.836 0.000 0.000 -0.000 3/25200 930.0 1.908 1.933 2.805 0.000 0.000 -0.000 3/25200 940.0 1.887 1.912 2.775 0.000 0.000 -0.000 3/25200 950.0 1.867 1.892 2.746 0.000 0.000 -0.000 3/25200 960.0 1.848 1.872 2.717 0.000 0.000 -0.000 3/25200 970.0 1.829 1.853 2.689 0.000 0.000 -0.000 3/25200 980.0 1.810 1.834 2.661 0.000 0.000 -0.000 3/25200 990.0 1.792 1.815 2.634 0.000 0.000 -0.000 3/25200 1000.0 1.774 1.797 2.608 0.000 0.000 -0.000 3/25200 Thermal conductivity related properties were written into "kappa-m101014.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:37:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|