# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/1eac7a49-e937-439c-9866-71f23591068d/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for RbDyS2 / R-3m (166) / materials id 7046](https://mdr.nims.go.jp/datasets/c0aa8efe-42a3-488b-a1fd-7133dd2dbd72) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-07 22:12:19]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)Number of symmetry operations in supercell: 324------------------------------ primitive cell ------------------------------Lattice vectors: a 2.010353873791956 1.160678350200190 7.585294333333326 b -2.010353873791953 1.160678350200190 7.585294333333326 c 0.000000000000002 -2.321356700400384 7.585294333333326Atomic positions (fractional): *1 S 0.23077847982060 0.23077847982061 0.23077847982060 32.065 2 S 0.76922152017940 0.76922152017940 0.76922152017940 32.065 *3 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 *4 Dy 0.50000000000000 0.50000000000000 0.50000000000000 162.500-------------------------------- unit cell ---------------------------------Lattice vectors: a 4.020707747583909 0.000000000000000 0.000000000000000 b -2.010353873791955 3.482035050600575 0.000000000000000 c 0.000000000000000 0.000000000000000 22.755883000000001Atomic positions (fractional): *1 S 0.33333333333333 0.66666666666667 0.89744514648727 32.065 > 1 2 S 0.00000000000000 0.00000000000000 0.76922152017940 32.065 > 2 3 S 0.00000000000000 0.00000000000000 0.23077847982060 32.065 > 1 4 S 0.66666666666667 0.33333333333333 0.10255485351273 32.065 > 2 5 S 0.66666666666667 0.33333333333333 0.56411181315394 32.065 > 1 6 S 0.33333333333333 0.66666666666667 0.43588818684606 32.065 > 2 *7 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 3 8 Rb 0.66666666666667 0.33333333333333 0.33333333333333 85.468 > 3 9 Rb 0.33333333333333 0.66666666666667 0.66666666666667 85.468 > 3 *10 Dy 0.66666666666667 0.33333333333333 0.83333333333333 162.500 > 4 11 Dy 0.33333333333333 0.66666666666667 0.16666666666667 162.500 > 4 12 Dy 0.00000000000000 0.00000000000000 0.50000000000000 162.500 > 4-------------------------------- super cell --------------------------------Lattice vectors: a 12.062123242751728 0.000000000000000 0.000000000000000 b -6.031061621375866 10.446105151801724 0.000000000000000 c 0.000000000000000 0.000000000000000 22.755883000000001Atomic positions (fractional): *1 S 0.11111111111111 0.22222222222222 0.89744514648727 32.065 > 1 2 S 0.44444444444444 0.22222222222222 0.89744514648727 32.065 > 1 3 S 0.77777777777778 0.22222222222222 0.89744514648727 32.065 > 1 4 S 0.11111111111111 0.55555555555556 0.89744514648727 32.065 > 1 5 S 0.44444444444444 0.55555555555556 0.89744514648727 32.065 > 1 6 S 0.77777777777778 0.55555555555556 0.89744514648727 32.065 > 1 7 S 0.11111111111111 0.88888888888889 0.89744514648727 32.065 > 1 8 S 0.44444444444444 0.88888888888889 0.89744514648727 32.065 > 1 9 S 0.77777777777778 0.88888888888889 0.89744514648727 32.065 > 1 10 S 0.00000000000000 0.00000000000000 0.76922152017940 32.065 > 2 11 S 0.33333333333333 0.00000000000000 0.76922152017940 32.065 > 2 12 S 0.66666666666667 0.00000000000000 0.76922152017940 32.065 > 2 13 S 0.00000000000000 0.33333333333333 0.76922152017940 32.065 > 2 14 S 0.33333333333333 0.33333333333333 0.76922152017940 32.065 > 2 15 S 0.66666666666667 0.33333333333333 0.76922152017940 32.065 > 2 16 S 0.00000000000000 0.66666666666667 0.76922152017940 32.065 > 2 17 S 0.33333333333333 0.66666666666667 0.76922152017940 32.065 > 2 18 S 0.66666666666667 0.66666666666667 0.76922152017940 32.065 > 2 19 S 0.00000000000000 0.00000000000000 0.23077847982060 32.065 > 1 20 S 0.33333333333333 0.00000000000000 0.23077847982060 32.065 > 1 21 S 0.66666666666667 0.00000000000000 0.23077847982060 32.065 > 1 22 S 0.00000000000000 0.33333333333333 0.23077847982060 32.065 > 1 23 S 0.33333333333333 0.33333333333333 0.23077847982060 32.065 > 1 24 S 0.66666666666667 0.33333333333333 0.23077847982060 32.065 > 1 25 S 0.00000000000000 0.66666666666667 0.23077847982060 32.065 > 1 26 S 0.33333333333333 0.66666666666667 0.23077847982060 32.065 > 1 27 S 0.66666666666667 0.66666666666667 0.23077847982060 32.065 > 1 28 S 0.22222222222222 0.11111111111111 0.10255485351273 32.065 > 2 29 S 0.55555555555556 0.11111111111111 0.10255485351273 32.065 > 2 30 S 0.88888888888889 0.11111111111111 0.10255485351273 32.065 > 2 31 S 0.22222222222222 0.44444444444444 0.10255485351273 32.065 > 2 32 S 0.55555555555556 0.44444444444444 0.10255485351273 32.065 > 2 33 S 0.88888888888889 0.44444444444444 0.10255485351273 32.065 > 2 34 S 0.22222222222222 0.77777777777778 0.10255485351273 32.065 > 2 35 S 0.55555555555556 0.77777777777778 0.10255485351273 32.065 > 2 36 S 0.88888888888889 0.77777777777778 0.10255485351273 32.065 > 2 37 S 0.22222222222222 0.11111111111111 0.56411181315394 32.065 > 1 38 S 0.55555555555556 0.11111111111111 0.56411181315394 32.065 > 1 39 S 0.88888888888889 0.11111111111111 0.56411181315394 32.065 > 1 40 S 0.22222222222222 0.44444444444444 0.56411181315394 32.065 > 1 41 S 0.55555555555556 0.44444444444444 0.56411181315394 32.065 > 1 42 S 0.88888888888889 0.44444444444444 0.56411181315394 32.065 > 1 43 S 0.22222222222222 0.77777777777778 0.56411181315394 32.065 > 1 44 S 0.55555555555556 0.77777777777778 0.56411181315394 32.065 > 1 45 S 0.88888888888889 0.77777777777778 0.56411181315394 32.065 > 1 46 S 0.11111111111111 0.22222222222222 0.43588818684606 32.065 > 2 47 S 0.44444444444444 0.22222222222222 0.43588818684606 32.065 > 2 48 S 0.77777777777778 0.22222222222222 0.43588818684606 32.065 > 2 49 S 0.11111111111111 0.55555555555556 0.43588818684606 32.065 > 2 50 S 0.44444444444444 0.55555555555556 0.43588818684606 32.065 > 2 51 S 0.77777777777778 0.55555555555556 0.43588818684606 32.065 > 2 52 S 0.11111111111111 0.88888888888889 0.43588818684606 32.065 > 2 53 S 0.44444444444444 0.88888888888889 0.43588818684606 32.065 > 2 54 S 0.77777777777778 0.88888888888889 0.43588818684606 32.065 > 2 *55 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 3 56 Rb 0.33333333333333 0.00000000000000 0.00000000000000 85.468 > 3 57 Rb 0.66666666666667 0.00000000000000 0.00000000000000 85.468 > 3 58 Rb 0.00000000000000 0.33333333333333 0.00000000000000 85.468 > 3 59 Rb 0.33333333333333 0.33333333333333 0.00000000000000 85.468 > 3 60 Rb 0.66666666666667 0.33333333333333 0.00000000000000 85.468 > 3 61 Rb 0.00000000000000 0.66666666666667 0.00000000000000 85.468 > 3 62 Rb 0.33333333333333 0.66666666666667 0.00000000000000 85.468 > 3 63 Rb 0.66666666666667 0.66666666666667 0.00000000000000 85.468 > 3 64 Rb 0.22222222222222 0.11111111111111 0.33333333333333 85.468 > 3 65 Rb 0.55555555555556 0.11111111111111 0.33333333333333 85.468 > 3 66 Rb 0.88888888888889 0.11111111111111 0.33333333333333 85.468 > 3 67 Rb 0.22222222222222 0.44444444444444 0.33333333333333 85.468 > 3 68 Rb 0.55555555555556 0.44444444444444 0.33333333333333 85.468 > 3 69 Rb 0.88888888888889 0.44444444444444 0.33333333333333 85.468 > 3 70 Rb 0.22222222222222 0.77777777777778 0.33333333333333 85.468 > 3 71 Rb 0.55555555555556 0.77777777777778 0.33333333333333 85.468 > 3 72 Rb 0.88888888888889 0.77777777777778 0.33333333333333 85.468 > 3 73 Rb 0.11111111111111 0.22222222222222 0.66666666666667 85.468 > 3 74 Rb 0.44444444444444 0.22222222222222 0.66666666666667 85.468 > 3 75 Rb 0.77777777777778 0.22222222222222 0.66666666666667 85.468 > 3 76 Rb 0.11111111111111 0.55555555555556 0.66666666666667 85.468 > 3 77 Rb 0.44444444444444 0.55555555555556 0.66666666666667 85.468 > 3 78 Rb 0.77777777777778 0.55555555555556 0.66666666666667 85.468 > 3 79 Rb 0.11111111111111 0.88888888888889 0.66666666666667 85.468 > 3 80 Rb 0.44444444444444 0.88888888888889 0.66666666666667 85.468 > 3 81 Rb 0.77777777777778 0.88888888888889 0.66666666666667 85.468 > 3 *82 Dy 0.22222222222222 0.11111111111111 0.83333333333333 162.500 > 4 83 Dy 0.55555555555556 0.11111111111111 0.83333333333333 162.500 > 4 84 Dy 0.88888888888889 0.11111111111111 0.83333333333333 162.500 > 4 85 Dy 0.22222222222222 0.44444444444444 0.83333333333333 162.500 > 4 86 Dy 0.55555555555556 0.44444444444444 0.83333333333333 162.500 > 4 87 Dy 0.88888888888889 0.44444444444444 0.83333333333333 162.500 > 4 88 Dy 0.22222222222222 0.77777777777778 0.83333333333333 162.500 > 4 89 Dy 0.55555555555556 0.77777777777778 0.83333333333333 162.500 > 4 90 Dy 0.88888888888889 0.77777777777778 0.83333333333333 162.500 > 4 91 Dy 0.11111111111111 0.22222222222222 0.16666666666667 162.500 > 4 92 Dy 0.44444444444444 0.22222222222222 0.16666666666667 162.500 > 4 93 Dy 0.77777777777778 0.22222222222222 0.16666666666667 162.500 > 4 94 Dy 0.11111111111111 0.55555555555556 0.16666666666667 162.500 > 4 95 Dy 0.44444444444444 0.55555555555556 0.16666666666667 162.500 > 4 96 Dy 0.77777777777778 0.55555555555556 0.16666666666667 162.500 > 4 97 Dy 0.11111111111111 0.88888888888889 0.16666666666667 162.500 > 4 98 Dy 0.44444444444444 0.88888888888889 0.16666666666667 162.500 > 4 99 Dy 0.77777777777778 0.88888888888889 0.16666666666667 162.500 > 4 100 Dy 0.00000000000000 0.00000000000000 0.50000000000000 162.500 > 4 101 Dy 0.33333333333333 0.00000000000000 0.50000000000000 162.500 > 4 102 Dy 0.66666666666667 0.00000000000000 0.50000000000000 162.500 > 4 103 Dy 0.00000000000000 0.33333333333333 0.50000000000000 162.500 > 4 104 Dy 0.33333333333333 0.33333333333333 0.50000000000000 162.500 > 4 105 Dy 0.66666666666667 0.33333333333333 0.50000000000000 162.500 > 4 106 Dy 0.00000000000000 0.66666666666667 0.50000000000000 162.500 > 4 107 Dy 0.33333333333333 0.66666666666667 0.50000000000000 162.500 > 4 108 Dy 0.66666666666667 0.66666666666667 0.50000000000000 162.500 > 4----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 5.6015503 -0.0000000 0.0000000 0.0000000 5.6015503 0.0000000 0.0000000 0.0000000 4.3307634-------------------------- Born effective charges -------------------------- 1 S -2.7517749 -0.0000000 0.0000000 0.0000000 -2.7517749 0.0000000 0.0000000 0.0000000 -1.8952911 2 S -2.7517749 -0.0000000 0.0000000 0.0000000 -2.7517749 0.0000000 0.0000000 0.0000000 -1.8952911 3 Rb 1.0528292 0.0000000 0.0000000 -0.0000000 1.0528292 0.0000000 0.0000000 0.0000000 1.9130701 4 Dy 4.4507206 0.0000000 0.0000000 -0.0000000 4.4507206 0.0000000 0.0000000 0.0000000 1.8775121----------------------------------------------------------------------------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: 324/324Permutation basis: 2568/2568Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 215Number of blocks in projector: 192Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 97Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 64Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 54Use standard eigh solver.Tree of FC basis block matrices:- (215, 209), data: False|-- (54, 51), data: True|-- (64, 64), data: True|-- (97, 94), data: True-----Solver_atoms: 1 -- 108 / 108Time (Solver_compr_matrix_reshape): 0.006Solver_block: 80 / 80 - Time: 0.113Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.120--------------------------------- Symfc end --------------------------------Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 324/324Permutation basis: 2568/2568Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 215Number of blocks in projector: 192Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 97Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 64Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 54Use standard eigh solver.Tree of FC basis block matrices:- (215, 209), data: False|-- (54, 51), data: True|-- (64, 64), data: True|-- (97, 94), data: TrueMax drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-07 22:12:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 22:12:23]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [3 3 1]Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)------------------------------ primitive cell ------------------------------Lattice vectors: a 2.010353873791956 1.160678350200190 7.585294333333326 b -2.010353873791953 1.160678350200190 7.585294333333326 c 0.000000000000002 -2.321356700400384 7.585294333333326Atomic positions (fractional): 1 S 0.23077847982060 0.23077847982061 0.23077847982060 32.065 2 S 0.76922152017940 0.76922152017940 0.76922152017940 32.065 3 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 4 Dy 0.50000000000000 0.50000000000000 0.50000000000000 162.500-------------------------------- supercell ---------------------------------Lattice vectors: a 12.062123242751728 0.000000000000000 0.000000000000000 b -6.031061621375866 10.446105151801724 0.000000000000000 c 0.000000000000000 0.000000000000000 22.755883000000001Atomic positions (fractional): 1 S 0.11111111111111 0.22222222222222 0.89744514648727 32.065 > 1 2 S 0.44444444444444 0.22222222222222 0.89744514648727 32.065 > 1 3 S 0.77777777777778 0.22222222222222 0.89744514648727 32.065 > 1 4 S 0.11111111111111 0.55555555555556 0.89744514648727 32.065 > 1 5 S 0.44444444444444 0.55555555555556 0.89744514648727 32.065 > 1 6 S 0.77777777777778 0.55555555555556 0.89744514648727 32.065 > 1 7 S 0.11111111111111 0.88888888888889 0.89744514648727 32.065 > 1 8 S 0.44444444444444 0.88888888888889 0.89744514648727 32.065 > 1 9 S 0.77777777777778 0.88888888888889 0.89744514648727 32.065 > 1 10 S 0.00000000000000 0.00000000000000 0.76922152017940 32.065 > 10 11 S 0.33333333333333 0.00000000000000 0.76922152017940 32.065 > 10 12 S 0.66666666666667 0.00000000000000 0.76922152017940 32.065 > 10 13 S 0.00000000000000 0.33333333333333 0.76922152017940 32.065 > 10 14 S 0.33333333333333 0.33333333333333 0.76922152017940 32.065 > 10 15 S 0.66666666666667 0.33333333333333 0.76922152017940 32.065 > 10 16 S 0.00000000000000 0.66666666666667 0.76922152017940 32.065 > 10 17 S 0.33333333333333 0.66666666666667 0.76922152017940 32.065 > 10 18 S 0.66666666666667 0.66666666666667 0.76922152017940 32.065 > 10 19 S 0.00000000000000 0.00000000000000 0.23077847982060 32.065 > 1 20 S 0.33333333333333 0.00000000000000 0.23077847982060 32.065 > 1 21 S 0.66666666666667 0.00000000000000 0.23077847982060 32.065 > 1 22 S 0.00000000000000 0.33333333333333 0.23077847982060 32.065 > 1 23 S 0.33333333333333 0.33333333333333 0.23077847982060 32.065 > 1 24 S 0.66666666666667 0.33333333333333 0.23077847982060 32.065 > 1 25 S 0.00000000000000 0.66666666666667 0.23077847982060 32.065 > 1 26 S 0.33333333333333 0.66666666666667 0.23077847982060 32.065 > 1 27 S 0.66666666666667 0.66666666666667 0.23077847982060 32.065 > 1 28 S 0.22222222222222 0.11111111111111 0.10255485351273 32.065 > 10 29 S 0.55555555555556 0.11111111111111 0.10255485351273 32.065 > 10 30 S 0.88888888888889 0.11111111111111 0.10255485351273 32.065 > 10 31 S 0.22222222222222 0.44444444444444 0.10255485351273 32.065 > 10 32 S 0.55555555555556 0.44444444444444 0.10255485351273 32.065 > 10 33 S 0.88888888888889 0.44444444444444 0.10255485351273 32.065 > 10 34 S 0.22222222222222 0.77777777777778 0.10255485351273 32.065 > 10 35 S 0.55555555555556 0.77777777777778 0.10255485351273 32.065 > 10 36 S 0.88888888888889 0.77777777777778 0.10255485351273 32.065 > 10 37 S 0.22222222222222 0.11111111111111 0.56411181315394 32.065 > 1 38 S 0.55555555555556 0.11111111111111 0.56411181315394 32.065 > 1 39 S 0.88888888888889 0.11111111111111 0.56411181315394 32.065 > 1 40 S 0.22222222222222 0.44444444444444 0.56411181315394 32.065 > 1 41 S 0.55555555555556 0.44444444444444 0.56411181315394 32.065 > 1 42 S 0.88888888888889 0.44444444444444 0.56411181315394 32.065 > 1 43 S 0.22222222222222 0.77777777777778 0.56411181315394 32.065 > 1 44 S 0.55555555555556 0.77777777777778 0.56411181315394 32.065 > 1 45 S 0.88888888888889 0.77777777777778 0.56411181315394 32.065 > 1 46 S 0.11111111111111 0.22222222222222 0.43588818684606 32.065 > 10 47 S 0.44444444444444 0.22222222222222 0.43588818684606 32.065 > 10 48 S 0.77777777777778 0.22222222222222 0.43588818684606 32.065 > 10 49 S 0.11111111111111 0.55555555555556 0.43588818684606 32.065 > 10 50 S 0.44444444444444 0.55555555555556 0.43588818684606 32.065 > 10 51 S 0.77777777777778 0.55555555555556 0.43588818684606 32.065 > 10 52 S 0.11111111111111 0.88888888888889 0.43588818684606 32.065 > 10 53 S 0.44444444444444 0.88888888888889 0.43588818684606 32.065 > 10 54 S 0.77777777777778 0.88888888888889 0.43588818684606 32.065 > 10 55 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 55 56 Rb 0.33333333333333 0.00000000000000 0.00000000000000 85.468 > 55 57 Rb 0.66666666666667 0.00000000000000 0.00000000000000 85.468 > 55 58 Rb 0.00000000000000 0.33333333333333 0.00000000000000 85.468 > 55 59 Rb 0.33333333333333 0.33333333333333 0.00000000000000 85.468 > 55 60 Rb 0.66666666666667 0.33333333333333 0.00000000000000 85.468 > 55 61 Rb 0.00000000000000 0.66666666666667 0.00000000000000 85.468 > 55 62 Rb 0.33333333333333 0.66666666666667 0.00000000000000 85.468 > 55 63 Rb 0.66666666666667 0.66666666666667 0.00000000000000 85.468 > 55 64 Rb 0.22222222222222 0.11111111111111 0.33333333333333 85.468 > 55 65 Rb 0.55555555555556 0.11111111111111 0.33333333333333 85.468 > 55 66 Rb 0.88888888888889 0.11111111111111 0.33333333333333 85.468 > 55 67 Rb 0.22222222222222 0.44444444444444 0.33333333333333 85.468 > 55 68 Rb 0.55555555555556 0.44444444444444 0.33333333333333 85.468 > 55 69 Rb 0.88888888888889 0.44444444444444 0.33333333333333 85.468 > 55 70 Rb 0.22222222222222 0.77777777777778 0.33333333333333 85.468 > 55 71 Rb 0.55555555555556 0.77777777777778 0.33333333333333 85.468 > 55 72 Rb 0.88888888888889 0.77777777777778 0.33333333333333 85.468 > 55 73 Rb 0.11111111111111 0.22222222222222 0.66666666666667 85.468 > 55 74 Rb 0.44444444444444 0.22222222222222 0.66666666666667 85.468 > 55 75 Rb 0.77777777777778 0.22222222222222 0.66666666666667 85.468 > 55 76 Rb 0.11111111111111 0.55555555555556 0.66666666666667 85.468 > 55 77 Rb 0.44444444444444 0.55555555555556 0.66666666666667 85.468 > 55 78 Rb 0.77777777777778 0.55555555555556 0.66666666666667 85.468 > 55 79 Rb 0.11111111111111 0.88888888888889 0.66666666666667 85.468 > 55 80 Rb 0.44444444444444 0.88888888888889 0.66666666666667 85.468 > 55 81 Rb 0.77777777777778 0.88888888888889 0.66666666666667 85.468 > 55 82 Dy 0.22222222222222 0.11111111111111 0.83333333333333 162.500 > 82 83 Dy 0.55555555555556 0.11111111111111 0.83333333333333 162.500 > 82 84 Dy 0.88888888888889 0.11111111111111 0.83333333333333 162.500 > 82 85 Dy 0.22222222222222 0.44444444444444 0.83333333333333 162.500 > 82 86 Dy 0.55555555555556 0.44444444444444 0.83333333333333 162.500 > 82 87 Dy 0.88888888888889 0.44444444444444 0.83333333333333 162.500 > 82 88 Dy 0.22222222222222 0.77777777777778 0.83333333333333 162.500 > 82 89 Dy 0.55555555555556 0.77777777777778 0.83333333333333 162.500 > 82 90 Dy 0.88888888888889 0.77777777777778 0.83333333333333 162.500 > 82 91 Dy 0.11111111111111 0.22222222222222 0.16666666666667 162.500 > 82 92 Dy 0.44444444444444 0.22222222222222 0.16666666666667 162.500 > 82 93 Dy 0.77777777777778 0.22222222222222 0.16666666666667 162.500 > 82 94 Dy 0.11111111111111 0.55555555555556 0.16666666666667 162.500 > 82 95 Dy 0.44444444444444 0.55555555555556 0.16666666666667 162.500 > 82 96 Dy 0.77777777777778 0.55555555555556 0.16666666666667 162.500 > 82 97 Dy 0.11111111111111 0.88888888888889 0.16666666666667 162.500 > 82 98 Dy 0.44444444444444 0.88888888888889 0.16666666666667 162.500 > 82 99 Dy 0.77777777777778 0.88888888888889 0.16666666666667 162.500 > 82 100 Dy 0.00000000000000 0.00000000000000 0.50000000000000 162.500 > 82 101 Dy 0.33333333333333 0.00000000000000 0.50000000000000 162.500 > 82 102 Dy 0.66666666666667 0.00000000000000 0.50000000000000 162.500 > 82 103 Dy 0.00000000000000 0.33333333333333 0.50000000000000 162.500 > 82 104 Dy 0.33333333333333 0.33333333333333 0.50000000000000 162.500 > 82 105 Dy 0.66666666666667 0.33333333333333 0.50000000000000 162.500 > 82 106 Dy 0.00000000000000 0.66666666666667 0.50000000000000 162.500 > 82 107 Dy 0.33333333333333 0.66666666666667 0.50000000000000 162.500 > 82 108 Dy 0.66666666666667 0.66666666666667 0.50000000000000 162.500 > 82----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 5.6015503 -0.0000000 0.0000000 0.0000000 5.6015503 0.0000000 0.0000000 0.0000000 4.3307634-------------------------- Born effective charges -------------------------- 1 S -2.7517749 -0.0000000 0.0000000 0.0000000 -2.7517749 0.0000000 0.0000000 0.0000000 -1.8952911 2 S -2.7517749 -0.0000000 0.0000000 0.0000000 -2.7517749 0.0000000 0.0000000 0.0000000 -1.8952911 3 Rb 1.0528292 0.0000000 0.0000000 -0.0000000 1.0528292 0.0000000 0.0000000 0.0000000 1.9130701 4 Dy 4.4507206 0.0000000 0.0000000 -0.0000000 4.4507206 0.0000000 0.0000000 0.0000000 1.8775121----------------------------------------------------------------------------Sets of supercell forces were read from "FORCES_FC3.xz".Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".----------------------------- Force constants ------------------------------Computing fc3[ 1, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 55, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 82, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy)fc3 was written into "fc3.hdf5".Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 22:12:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 22:12:28]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [3 3 1]Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)------------------------------ primitive cell ------------------------------Lattice vectors: a 2.010353873791956 1.160678350200190 7.585294333333326 b -2.010353873791953 1.160678350200190 7.585294333333326 c 0.000000000000002 -2.321356700400384 7.585294333333326Atomic positions (fractional): 1 S 0.23077847982060 0.23077847982061 0.23077847982060 32.065 2 S 0.76922152017940 0.76922152017940 0.76922152017940 32.065 3 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 4 Dy 0.50000000000000 0.50000000000000 0.50000000000000 162.500-------------------------------- supercell ---------------------------------Lattice vectors: a 12.062123242751728 0.000000000000000 0.000000000000000 b -6.031061621375866 10.446105151801724 0.000000000000000 c 0.000000000000000 0.000000000000000 22.755883000000001Atomic positions (fractional): 1 S 0.11111111111111 0.22222222222222 0.89744514648727 32.065 > 1 2 S 0.44444444444444 0.22222222222222 0.89744514648727 32.065 > 1 3 S 0.77777777777778 0.22222222222222 0.89744514648727 32.065 > 1 4 S 0.11111111111111 0.55555555555556 0.89744514648727 32.065 > 1 5 S 0.44444444444444 0.55555555555556 0.89744514648727 32.065 > 1 6 S 0.77777777777778 0.55555555555556 0.89744514648727 32.065 > 1 7 S 0.11111111111111 0.88888888888889 0.89744514648727 32.065 > 1 8 S 0.44444444444444 0.88888888888889 0.89744514648727 32.065 > 1 9 S 0.77777777777778 0.88888888888889 0.89744514648727 32.065 > 1 10 S 0.00000000000000 0.00000000000000 0.76922152017940 32.065 > 10 11 S 0.33333333333333 0.00000000000000 0.76922152017940 32.065 > 10 12 S 0.66666666666667 0.00000000000000 0.76922152017940 32.065 > 10 13 S 0.00000000000000 0.33333333333333 0.76922152017940 32.065 > 10 14 S 0.33333333333333 0.33333333333333 0.76922152017940 32.065 > 10 15 S 0.66666666666667 0.33333333333333 0.76922152017940 32.065 > 10 16 S 0.00000000000000 0.66666666666667 0.76922152017940 32.065 > 10 17 S 0.33333333333333 0.66666666666667 0.76922152017940 32.065 > 10 18 S 0.66666666666667 0.66666666666667 0.76922152017940 32.065 > 10 19 S 0.00000000000000 0.00000000000000 0.23077847982060 32.065 > 1 20 S 0.33333333333333 0.00000000000000 0.23077847982060 32.065 > 1 21 S 0.66666666666667 0.00000000000000 0.23077847982060 32.065 > 1 22 S 0.00000000000000 0.33333333333333 0.23077847982060 32.065 > 1 23 S 0.33333333333333 0.33333333333333 0.23077847982060 32.065 > 1 24 S 0.66666666666667 0.33333333333333 0.23077847982060 32.065 > 1 25 S 0.00000000000000 0.66666666666667 0.23077847982060 32.065 > 1 26 S 0.33333333333333 0.66666666666667 0.23077847982060 32.065 > 1 27 S 0.66666666666667 0.66666666666667 0.23077847982060 32.065 > 1 28 S 0.22222222222222 0.11111111111111 0.10255485351273 32.065 > 10 29 S 0.55555555555556 0.11111111111111 0.10255485351273 32.065 > 10 30 S 0.88888888888889 0.11111111111111 0.10255485351273 32.065 > 10 31 S 0.22222222222222 0.44444444444444 0.10255485351273 32.065 > 10 32 S 0.55555555555556 0.44444444444444 0.10255485351273 32.065 > 10 33 S 0.88888888888889 0.44444444444444 0.10255485351273 32.065 > 10 34 S 0.22222222222222 0.77777777777778 0.10255485351273 32.065 > 10 35 S 0.55555555555556 0.77777777777778 0.10255485351273 32.065 > 10 36 S 0.88888888888889 0.77777777777778 0.10255485351273 32.065 > 10 37 S 0.22222222222222 0.11111111111111 0.56411181315394 32.065 > 1 38 S 0.55555555555556 0.11111111111111 0.56411181315394 32.065 > 1 39 S 0.88888888888889 0.11111111111111 0.56411181315394 32.065 > 1 40 S 0.22222222222222 0.44444444444444 0.56411181315394 32.065 > 1 41 S 0.55555555555556 0.44444444444444 0.56411181315394 32.065 > 1 42 S 0.88888888888889 0.44444444444444 0.56411181315394 32.065 > 1 43 S 0.22222222222222 0.77777777777778 0.56411181315394 32.065 > 1 44 S 0.55555555555556 0.77777777777778 0.56411181315394 32.065 > 1 45 S 0.88888888888889 0.77777777777778 0.56411181315394 32.065 > 1 46 S 0.11111111111111 0.22222222222222 0.43588818684606 32.065 > 10 47 S 0.44444444444444 0.22222222222222 0.43588818684606 32.065 > 10 48 S 0.77777777777778 0.22222222222222 0.43588818684606 32.065 > 10 49 S 0.11111111111111 0.55555555555556 0.43588818684606 32.065 > 10 50 S 0.44444444444444 0.55555555555556 0.43588818684606 32.065 > 10 51 S 0.77777777777778 0.55555555555556 0.43588818684606 32.065 > 10 52 S 0.11111111111111 0.88888888888889 0.43588818684606 32.065 > 10 53 S 0.44444444444444 0.88888888888889 0.43588818684606 32.065 > 10 54 S 0.77777777777778 0.88888888888889 0.43588818684606 32.065 > 10 55 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 55 56 Rb 0.33333333333333 0.00000000000000 0.00000000000000 85.468 > 55 57 Rb 0.66666666666667 0.00000000000000 0.00000000000000 85.468 > 55 58 Rb 0.00000000000000 0.33333333333333 0.00000000000000 85.468 > 55 59 Rb 0.33333333333333 0.33333333333333 0.00000000000000 85.468 > 55 60 Rb 0.66666666666667 0.33333333333333 0.00000000000000 85.468 > 55 61 Rb 0.00000000000000 0.66666666666667 0.00000000000000 85.468 > 55 62 Rb 0.33333333333333 0.66666666666667 0.00000000000000 85.468 > 55 63 Rb 0.66666666666667 0.66666666666667 0.00000000000000 85.468 > 55 64 Rb 0.22222222222222 0.11111111111111 0.33333333333333 85.468 > 55 65 Rb 0.55555555555556 0.11111111111111 0.33333333333333 85.468 > 55 66 Rb 0.88888888888889 0.11111111111111 0.33333333333333 85.468 > 55 67 Rb 0.22222222222222 0.44444444444444 0.33333333333333 85.468 > 55 68 Rb 0.55555555555556 0.44444444444444 0.33333333333333 85.468 > 55 69 Rb 0.88888888888889 0.44444444444444 0.33333333333333 85.468 > 55 70 Rb 0.22222222222222 0.77777777777778 0.33333333333333 85.468 > 55 71 Rb 0.55555555555556 0.77777777777778 0.33333333333333 85.468 > 55 72 Rb 0.88888888888889 0.77777777777778 0.33333333333333 85.468 > 55 73 Rb 0.11111111111111 0.22222222222222 0.66666666666667 85.468 > 55 74 Rb 0.44444444444444 0.22222222222222 0.66666666666667 85.468 > 55 75 Rb 0.77777777777778 0.22222222222222 0.66666666666667 85.468 > 55 76 Rb 0.11111111111111 0.55555555555556 0.66666666666667 85.468 > 55 77 Rb 0.44444444444444 0.55555555555556 0.66666666666667 85.468 > 55 78 Rb 0.77777777777778 0.55555555555556 0.66666666666667 85.468 > 55 79 Rb 0.11111111111111 0.88888888888889 0.66666666666667 85.468 > 55 80 Rb 0.44444444444444 0.88888888888889 0.66666666666667 85.468 > 55 81 Rb 0.77777777777778 0.88888888888889 0.66666666666667 85.468 > 55 82 Dy 0.22222222222222 0.11111111111111 0.83333333333333 162.500 > 82 83 Dy 0.55555555555556 0.11111111111111 0.83333333333333 162.500 > 82 84 Dy 0.88888888888889 0.11111111111111 0.83333333333333 162.500 > 82 85 Dy 0.22222222222222 0.44444444444444 0.83333333333333 162.500 > 82 86 Dy 0.55555555555556 0.44444444444444 0.83333333333333 162.500 > 82 87 Dy 0.88888888888889 0.44444444444444 0.83333333333333 162.500 > 82 88 Dy 0.22222222222222 0.77777777777778 0.83333333333333 162.500 > 82 89 Dy 0.55555555555556 0.77777777777778 0.83333333333333 162.500 > 82 90 Dy 0.88888888888889 0.77777777777778 0.83333333333333 162.500 > 82 91 Dy 0.11111111111111 0.22222222222222 0.16666666666667 162.500 > 82 92 Dy 0.44444444444444 0.22222222222222 0.16666666666667 162.500 > 82 93 Dy 0.77777777777778 0.22222222222222 0.16666666666667 162.500 > 82 94 Dy 0.11111111111111 0.55555555555556 0.16666666666667 162.500 > 82 95 Dy 0.44444444444444 0.55555555555556 0.16666666666667 162.500 > 82 96 Dy 0.77777777777778 0.55555555555556 0.16666666666667 162.500 > 82 97 Dy 0.11111111111111 0.88888888888889 0.16666666666667 162.500 > 82 98 Dy 0.44444444444444 0.88888888888889 0.16666666666667 162.500 > 82 99 Dy 0.77777777777778 0.88888888888889 0.16666666666667 162.500 > 82 100 Dy 0.00000000000000 0.00000000000000 0.50000000000000 162.500 > 82 101 Dy 0.33333333333333 0.00000000000000 0.50000000000000 162.500 > 82 102 Dy 0.66666666666667 0.00000000000000 0.50000000000000 162.500 > 82 103 Dy 0.00000000000000 0.33333333333333 0.50000000000000 162.500 > 82 104 Dy 0.33333333333333 0.33333333333333 0.50000000000000 162.500 > 82 105 Dy 0.66666666666667 0.33333333333333 0.50000000000000 162.500 > 82 106 Dy 0.00000000000000 0.66666666666667 0.50000000000000 162.500 > 82 107 Dy 0.33333333333333 0.66666666666667 0.50000000000000 162.500 > 82 108 Dy 0.66666666666667 0.66666666666667 0.50000000000000 162.500 > 82----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 5.6015503 -0.0000000 0.0000000 0.0000000 5.6015503 0.0000000 0.0000000 0.0000000 4.3307634-------------------------- Born effective charges -------------------------- 1 S -2.7517749 -0.0000000 0.0000000 0.0000000 -2.7517749 0.0000000 0.0000000 0.0000000 -1.8952911 2 S -2.7517749 -0.0000000 0.0000000 0.0000000 -2.7517749 0.0000000 0.0000000 0.0000000 -1.8952911 3 Rb 1.0528292 0.0000000 0.0000000 -0.0000000 1.0528292 0.0000000 0.0000000 0.0000000 1.9130701 4 Dy 4.4507206 0.0000000 0.0000000 -0.0000000 4.4507206 0.0000000 0.0000000 0.0000000 1.8775121----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy)Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 15 15 15 ]fc3-r2q-transformation over three atoms: True--------------------------- Phonon calculations ----------------------------Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.88, Number of G-points: 301, Lambda: 0.21Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/344) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.142 ( 0.000 0.000 0.000) 0.000 2.142 ( 0.000 0.000 0.000) 0.000 3.617 ( 0.000 0.000 0.000) 0.000 5.153 ( 0.000 0.000 0.000) 0.000 5.153 ( 0.000 0.000 0.000) 0.000 6.413 ( 0.000 0.000 0.000) 0.000 6.413 ( 0.000 0.000 0.000) 0.000 6.996 ( 0.000 0.000 0.000) 0.000 8.124 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/344) =======================q-point: ( 0.07 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.403 ( 18.908 10.917 -4.997) 22.398 0.428 ( 19.832 11.450 -3.950) 23.239 0.851 ( 36.106 20.846 13.507) 43.825 2.148 ( 0.505 0.291 0.616) 0.848 2.190 ( 4.442 2.565 -2.001) 5.506 3.595 ( -2.474 -1.428 1.089) 3.057 5.180 ( 2.425 1.400 0.479) 2.841 6.386 ( -2.487 -1.436 0.234) 2.881 6.395 ( -1.517 -0.876 -0.200) 1.763 6.985 ( 3.856 2.226 -17.478) 18.037 8.047 ( -6.529 -3.769 1.698) 7.728 8.476 ( 0.093 0.054 -0.697) 0.705======================= Grid point 2 (3/344) =======================q-point: ( 0.13 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.805 ( 18.744 10.822 -4.968) 22.207 0.850 ( 19.479 11.246 -5.634) 23.188 1.658 ( 32.883 18.985 12.412) 39.947 2.167 ( 0.966 0.558 1.273) 1.692 2.316 ( 7.687 4.438 -4.557) 9.977 3.522 ( -4.114 -2.375 -0.002) 4.750 5.262 ( 4.759 2.748 0.803) 5.553 6.306 ( -4.676 -2.700 0.103) 5.400 6.350 ( -2.318 -1.338 -0.358) 2.700 7.034 ( 3.534 2.041 -6.544) 7.713 7.872 ( -9.431 -5.445 2.475) 11.167 8.448 ( -2.195 -1.267 -3.808) 4.574======================= Grid point 3 (4/344) =======================q-point: ( 0.20 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.195 ( 17.664 10.198 -5.049) 21.012 1.250 ( 18.265 10.545 -7.669) 22.441 2.198 ( 1.400 0.808 2.016) 2.584 2.301 ( 17.785 10.268 9.132) 22.476 2.541 ( 17.782 10.267 -6.365) 21.497 3.425 ( -4.581 -2.645 2.725) 5.950 5.392 ( 6.606 3.814 0.903) 7.681 6.193 ( -5.129 -2.961 -0.383) 5.935 6.299 ( -1.990 -1.149 -0.445) 2.340 7.090 ( 2.179 1.258 -1.135) 2.760 7.655 ( -10.718 -6.188 2.280) 12.585 8.361 ( -4.085 -2.359 -6.069) 7.686======================= Grid point 4 (5/344) =======================q-point: ( 0.27 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.545 ( 15.023 8.674 -5.235) 18.120 1.606 ( 16.101 9.296 -9.268) 20.774 2.242 ( 1.944 1.122 2.819) 3.603 2.522 ( 5.929 3.423 -0.245) 6.850 2.969 ( 14.138 8.163 -3.897) 16.784 3.386 ( 2.308 1.332 9.622) 9.984 5.550 ( 7.208 4.161 0.802) 8.361 6.097 ( -2.949 -1.702 -1.026) 3.556 6.268 ( -0.582 -0.336 -0.435) 0.800 7.106 ( -1.216 -0.702 2.040) 2.476 7.414 ( -11.410 -6.587 0.456) 13.183 8.255 ( -3.269 -1.887 -6.331) 7.371======================= Grid point 5 (6/344) =======================q-point: ( 0.33 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.816 ( 10.587 6.112 -5.071) 13.235 1.905 ( 13.384 7.727 -9.633) 18.211 2.303 ( 2.768 1.598 3.271) 4.574 2.626 ( 3.961 2.287 -1.589) 4.842 3.036 ( -3.626 -2.094 2.115) 4.691 3.616 ( 11.897 6.869 6.036) 15.005 5.701 ( 5.954 3.437 0.555) 6.897 6.071 ( 1.180 0.682 -1.622) 2.119 6.275 ( 1.306 0.754 -0.314) 1.540 7.032 ( -7.212 -4.164 5.224) 9.831 7.169 ( -9.002 -5.197 -4.322) 11.258 8.196 ( -0.589 -0.340 -4.065) 4.121======================= Grid point 6 (7/344) =======================q-point: ( 0.40 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.979 ( 5.446 3.144 -3.621) 7.257 2.142 ( 10.377 5.991 -8.207) 14.524 2.379 ( 3.076 1.776 2.493) 4.339 2.686 ( 1.561 0.901 -1.526) 2.361 2.938 ( -5.210 -3.008 6.347) 8.745 3.840 ( 6.914 3.992 1.865) 8.199 5.807 ( 3.468 2.002 0.269) 4.014 6.139 ( 5.283 3.050 -1.953) 6.406 6.317 ( 2.238 1.292 -0.141) 2.588 6.806 ( -12.537 -7.238 3.009) 14.786 7.032 ( -3.434 -1.982 -3.269) 5.139 8.196 ( 0.917 0.529 -1.569) 1.893======================= Grid point 7 (8/344) =======================q-point: ( 0.47 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.046 ( 1.549 0.894 -1.235) 2.174 2.303 ( 5.138 2.966 -4.007) 7.159 2.437 ( 1.377 0.795 0.848) 1.802 2.675 ( -1.635 -0.944 0.183) 1.896 2.878 ( -1.377 -0.795 3.185) 3.559 3.939 ( 2.007 1.159 0.263) 2.332 5.857 ( 1.076 0.621 0.070) 1.244 6.279 ( 7.058 4.075 -1.601) 8.306 6.357 ( 1.091 0.630 -0.030) 1.261 6.554 ( -9.714 -5.608 1.442) 11.309 6.975 ( -1.154 -0.666 -0.989) 1.659 8.212 ( 0.551 0.318 -0.316) 0.710======================= Grid point 16 (9/344) =======================q-point: ( 0.07 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.491 ( -0.000 21.165 14.064) 25.412 0.508 ( -0.000 23.325 10.369) 25.526 0.804 ( -0.000 39.831 5.221) 40.172 2.135 ( 0.000 0.021 -2.482) 2.482 2.198 ( 0.000 5.741 -0.112) 5.742 3.597 ( -0.000 -3.980 1.523) 4.261 5.176 ( 0.000 2.606 -0.482) 2.650 6.384 ( 0.000 -2.954 -0.394) 2.980 6.397 ( -0.000 -1.661 0.252) 1.680 6.904 ( 0.000 11.288 -33.030) 34.906 8.053 ( -0.000 -7.607 2.687) 8.068 8.485 ( -0.000 0.115 1.031) 1.037======================= Grid point 17 (10/344) =======================q-point: ( 0.13 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.662 ( 3.147 18.627 10.639) 21.681 0.881 ( 7.342 25.438 -1.376) 26.512 1.434 ( 24.299 29.738 10.954) 39.934 2.146 ( 2.074 0.134 -2.333) 3.124 2.281 ( 2.333 7.858 -1.822) 8.397 3.538 ( -1.970 -4.378 -1.238) 4.958 5.231 ( 2.883 3.833 0.028) 4.796 6.331 ( -2.178 -4.276 -0.283) 4.807 6.366 ( -1.431 -1.916 0.097) 2.394 6.961 ( 4.367 5.191 -16.166) 17.531 7.934 ( -5.094 -9.074 3.393) 10.945 8.466 ( -2.094 -0.551 -1.829) 2.834======================= Grid point 18 (11/344) =======================q-point: ( 0.20 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.978 ( 12.222 14.123 3.709) 19.041 1.233 ( 8.123 23.012 -4.837) 24.878 2.113 ( 21.102 17.676 9.220) 29.030 2.192 ( 4.015 2.815 0.743) 4.959 2.424 ( 6.997 11.277 -5.577) 14.396 3.451 ( -2.523 -4.798 -0.248) 5.426 5.342 ( 4.983 5.179 0.569) 7.209 6.233 ( -4.010 -4.593 -0.415) 6.111 6.322 ( -1.832 -1.133 -0.161) 2.161 7.037 ( 4.380 2.123 -7.031) 8.551 7.747 ( -7.891 -9.199 3.559) 12.632 8.390 ( -4.249 -2.163 -4.570) 6.604======================= Grid point 19 (12/344) =======================q-point: ( 0.27 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.328 ( 14.377 10.860 -0.767) 18.034 1.556 ( 8.352 19.186 -6.530) 21.920 2.241 ( 2.074 2.938 0.621) 3.650 2.450 ( 6.550 3.925 0.705) 7.668 2.811 ( 17.139 17.374 -2.022) 24.488 3.387 ( 0.068 -3.105 5.240) 6.091 5.493 ( 6.136 6.287 0.831) 8.824 6.125 ( -3.598 -3.482 -0.863) 5.081 6.289 ( -1.546 0.547 -0.367) 1.681 7.091 ( 2.361 -0.389 -2.291) 3.313 7.522 ( -9.785 -8.989 2.879) 13.595 8.273 ( -4.346 -2.910 -5.999) 7.958======================= Grid point 20 (13/344) =======================q-point: ( 0.33 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.642 ( 13.035 7.900 -3.416) 15.620 1.834 ( 7.609 15.116 -7.333) 18.443 2.310 ( 1.542 4.629 1.992) 5.270 2.566 ( 4.883 2.076 -1.765) 5.592 3.057 ( 1.109 2.276 -1.591) 2.991 3.515 ( 10.622 6.414 8.041) 14.786 5.658 ( 5.582 6.704 0.855) 8.765 6.060 ( -0.673 -1.206 -1.420) 1.981 6.284 ( -0.506 2.359 -0.462) 2.456 7.085 ( -1.343 -2.219 0.068) 2.594 7.267 ( -11.288 -8.652 0.497) 14.231 8.180 ( -1.284 -2.465 -4.793) 5.540======================= Grid point 21 (14/344) =======================q-point: ( 0.40 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.881 ( 9.164 5.374 -3.802) 11.283 2.054 ( 6.712 10.967 -7.422) 14.846 2.391 ( 1.221 5.725 2.533) 6.378 2.647 ( 3.530 1.027 -1.681) 4.042 3.012 ( -4.470 -2.139 3.723) 6.199 3.767 ( 8.466 5.671 3.538) 10.787 5.798 ( 3.163 6.402 0.661) 7.172 6.078 ( 3.468 1.124 -1.866) 4.096 6.313 ( 0.725 3.336 -0.384) 3.435 6.964 ( -12.586 -6.224 4.041) 14.611 7.046 ( -2.865 -3.874 -4.738) 6.757 8.157 ( 1.866 -1.992 -2.226) 3.522======================= Grid point 22 (15/344) =======================q-point: ( 0.47 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.021 ( 3.632 3.645 -2.452) 5.701 2.230 ( 6.430 6.881 -6.095) 11.218 2.463 ( -0.157 5.203 2.047) 5.593 2.683 ( 0.495 -0.094 -1.096) 1.207 2.929 ( -4.385 -1.167 4.254) 6.220 3.911 ( 3.720 2.190 1.534) 4.582 5.885 ( -0.006 5.827 0.346) 5.838 6.176 ( 6.719 1.744 -1.830) 7.179 6.362 ( 1.152 3.431 -0.251) 3.628 6.695 ( -12.433 -5.447 1.256) 13.631 6.983 ( -1.325 -1.374 -1.579) 2.477 8.174 ( 2.626 -2.226 -0.594) 3.494======================= Grid point 23 (16/344) =======================q-point: (-0.47 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.067 ( -0.421 1.883 -0.543) 2.004 2.336 ( 1.181 1.900 -1.286) 2.580 2.484 ( -2.512 3.023 0.759) 4.003 2.673 ( -0.549 0.984 -0.387) 1.191 2.880 ( -1.874 0.590 -0.595) 2.053 3.953 ( -0.103 -0.242 1.270) 1.297 5.912 ( -2.821 4.748 0.064) 5.523 6.268 ( 2.647 -3.261 -0.183) 4.204 6.417 ( -1.162 3.149 -0.235) 3.365 6.509 ( -2.166 1.729 0.150) 2.776 6.966 ( 0.400 0.052 0.169) 0.438 8.186 ( 1.791 -2.874 0.073) 3.387======================= Grid point 24 (17/344) =======================q-point: (-0.40 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.040 ( -3.859 -1.033 1.802) 4.382 2.280 ( -7.362 -2.017 5.178) 9.224 2.447 ( -4.920 2.242 -1.426) 5.592 2.690 ( 0.476 -0.081 0.648) 0.808 2.882 ( 2.009 3.123 -6.259) 7.278 3.907 ( -4.690 -2.267 0.627) 5.247 5.882 ( -5.116 2.728 -0.184) 5.801 6.192 ( -4.553 -4.895 1.688) 6.895 6.364 ( -3.653 0.898 0.256) 3.770 6.679 ( 10.438 7.994 -2.179) 13.327 6.999 ( 2.710 0.703 1.972) 3.424 8.180 ( 1.050 -3.183 0.885) 3.467======================= Grid point 25 (18/344) =======================q-point: (-0.33 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.918 ( -8.361 -5.619 4.386) 10.987 2.120 ( -11.982 -1.210 7.370) 14.119 2.367 ( -5.839 1.942 -2.889) 6.798 2.659 ( -2.478 -2.707 1.206) 3.862 2.972 ( 5.648 4.163 -5.497) 8.913 3.742 ( -11.152 -4.846 -1.961) 12.317 5.793 ( -7.178 0.232 -0.450) 7.196 6.095 ( -2.817 -2.500 1.795) 4.172 6.317 ( -3.283 1.231 0.346) 3.523 6.923 ( 9.981 7.020 -5.072) 13.215 7.087 ( 6.262 1.217 4.283) 7.683 8.179 ( 1.741 -2.280 2.674) 3.921======================= Grid point 26 (19/344) =======================q-point: (-0.27 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.681 ( -13.176 -9.030 5.476) 16.886 1.900 ( -16.476 -0.141 7.575) 18.135 2.288 ( -4.617 1.743 -3.109) 5.833 2.576 ( -4.370 -3.499 0.455) 5.617 3.074 ( 0.952 2.129 1.999) 3.071 3.444 ( -14.068 -6.590 -7.896) 17.426 5.652 ( -8.624 -1.604 -0.667) 8.797 6.072 ( 1.150 -0.134 1.297) 1.739 6.288 ( -1.821 1.687 0.414) 2.516 7.064 ( 3.851 2.017 -4.254) 6.082 7.275 ( 11.400 3.674 1.899) 12.127 8.223 ( 3.826 -0.165 4.698) 6.061======================= Grid point 27 (20/344) =======================q-point: (-0.20 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.353 ( -16.794 -10.135 4.700) 20.170 1.617 ( -20.651 1.023 6.980) 21.823 2.228 ( -3.316 0.975 -2.250) 4.124 2.433 ( -9.149 -4.685 -2.659) 10.617 2.839 ( -24.638 -6.440 3.866) 25.758 3.338 ( 5.875 0.446 -5.804) 8.270 5.486 ( -8.524 -2.092 -0.719) 8.806 6.132 ( 4.595 1.278 0.624) 4.810 6.292 ( 0.277 1.527 0.364) 1.594 7.093 ( 0.382 -0.498 -1.858) 1.961 7.507 ( 11.907 3.415 -0.585) 12.401 8.321 ( 5.082 1.346 4.812) 7.127======================= Grid point 28 (21/344) =======================q-point: (-0.13 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.975 ( -18.816 -8.363 2.959) 20.802 1.280 ( -23.938 2.105 5.339) 24.616 2.040 ( -30.006 -7.843 -6.255) 31.639 2.186 ( -2.356 0.127 -1.380) 2.734 2.463 ( -13.385 -2.511 3.272) 14.006 3.448 ( 6.436 0.887 -0.937) 6.564 5.337 ( -6.978 -1.389 -0.517) 7.134 6.236 ( 5.840 1.204 0.098) 5.964 6.324 ( 1.895 0.816 0.222) 2.075 7.071 ( -1.631 -0.851 0.428) 1.889 7.727 ( 11.493 2.185 -0.926) 11.736 8.423 ( 3.872 1.061 2.737) 4.858======================= Grid point 29 (22/344) =======================q-point: (-0.07 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.613 ( -19.294 -0.000 0.000) 19.294 0.890 ( -25.868 -0.000 0.000) 25.868 1.383 ( -39.604 -0.000 0.000) 39.604 2.157 ( -1.117 -0.000 0.000) 1.117 2.289 ( -8.114 -0.000 0.000) 8.114 3.543 ( 4.477 0.000 -0.000) 4.477 5.231 ( -4.741 -0.000 0.000) 4.741 6.333 ( 4.769 0.000 -0.000) 4.769 6.365 ( 2.366 0.000 -0.000) 2.366 7.036 ( -2.045 -0.000 0.000) 2.045 7.918 ( 10.180 0.000 -0.000) 10.180 8.475 ( 1.244 0.000 -0.000) 1.244======================= Grid point 32 (23/344) =======================q-point: ( 0.13 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.971 ( -0.000 20.637 12.633) 24.197 1.011 ( -0.000 23.102 8.756) 24.706 1.571 ( -0.000 36.570 5.161) 36.933 2.114 ( 0.000 0.045 -4.746) 4.746 2.350 ( 0.000 10.216 -0.912) 10.256 3.497 ( 0.000 -6.032 -2.651) 6.589 5.248 ( 0.000 5.331 -0.660) 5.372 6.300 ( -0.000 -5.199 -0.541) 5.227 6.357 ( -0.000 -2.580 0.363) 2.605 6.930 ( 0.000 6.141 -16.151) 17.279 7.887 ( -0.000 -11.120 3.490) 11.655 8.477 ( 0.000 -1.151 -0.881) 1.449======================= Grid point 33 (24/344) =======================q-point: ( 0.20 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.122 ( -3.352 20.976 12.591) 24.693 1.339 ( 5.593 22.152 1.133) 22.875 2.046 ( 13.313 25.860 6.178) 29.735 2.133 ( 4.120 1.193 -3.625) 5.616 2.468 ( 1.862 13.997 -2.926) 14.420 3.418 ( -0.813 -6.863 -2.352) 7.300 5.330 ( 3.052 6.568 -0.170) 7.245 6.232 ( -1.860 -5.430 -0.453) 5.758 6.328 ( -0.565 -1.962 0.220) 2.053 6.967 ( 3.244 3.124 -10.834) 11.733 7.755 ( -3.792 -11.414 3.537) 12.537 8.428 ( -3.484 -2.190 -2.161) 4.648======================= Grid point 34 (25/344) =======================q-point: ( 0.27 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.341 ( 2.602 18.406 8.407) 20.401 1.621 ( 5.018 19.602 -3.415) 20.521 2.204 ( 5.280 2.678 -3.706) 6.984 2.404 ( 5.575 7.045 3.289) 9.567 2.754 ( 11.696 22.779 -2.884) 25.768 3.347 ( 0.797 -5.789 2.016) 6.181 5.469 ( 5.116 7.774 0.617) 9.327 6.140 ( -2.969 -4.388 -0.701) 5.344 6.310 ( -0.367 0.031 -0.140) 0.394 7.018 ( 3.903 -0.363 -6.364) 7.474 7.573 ( -6.434 -10.837 3.533) 13.089 8.315 ( -5.647 -3.033 -3.860) 7.483======================= Grid point 35 (26/344) =======================q-point: ( 0.33 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.587 ( 5.684 14.088 3.387) 15.565 1.864 ( 5.043 16.256 -5.015) 17.744 2.319 ( 4.470 5.381 -1.022) 7.070 2.513 ( 3.226 3.000 -0.605) 4.447 3.046 ( 3.677 6.184 -4.528) 8.501 3.430 ( 9.392 5.804 7.669) 13.443 5.643 ( 5.630 8.577 1.235) 10.334 6.061 ( -1.876 -2.234 -1.230) 3.166 6.317 ( -0.190 2.623 -0.643) 2.707 7.040 ( 2.407 -3.072 -4.217) 5.746 7.358 ( -8.869 -9.705 3.300) 13.555 8.183 ( -4.345 -3.256 -4.206) 6.868======================= Grid point 36 (27/344) =======================q-point: ( 0.40 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.811 ( 6.575 10.151 0.067) 12.094 2.064 ( 4.032 12.469 -5.390) 14.170 2.439 ( 2.243 7.484 1.197) 7.904 2.588 ( 3.793 1.281 -1.028) 4.133 3.055 ( -1.543 -1.374 0.574) 2.144 3.692 ( 9.089 7.583 3.667) 12.392 5.813 ( 4.238 8.404 1.513) 9.533 6.040 ( 1.232 0.355 -1.771) 2.187 6.348 ( -0.102 4.421 -1.047) 4.544 7.014 ( 0.235 -4.254 -4.503) 6.199 7.115 ( -11.252 -7.373 3.397) 13.875 8.103 ( -0.130 -3.365 -2.623) 4.269======================= Grid point 37 (28/344) =======================q-point: ( 0.47 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.992 ( 4.882 7.521 -1.045) 9.027 2.207 ( 3.361 8.460 -5.031) 10.401 2.533 ( -0.089 6.424 2.366) 6.846 2.651 ( 2.849 0.386 -0.775) 2.978 3.010 ( -3.694 0.843 2.403) 4.487 3.865 ( 5.020 2.823 1.367) 5.920 5.944 ( 1.681 7.566 1.234) 7.849 6.096 ( 4.253 2.037 -1.837) 5.061 6.386 ( 0.073 4.200 -1.145) 4.354 6.847 ( -11.266 -5.770 -0.526) 12.669 6.985 ( -1.304 -1.413 -0.417) 1.968 8.091 ( 2.966 -3.960 -0.907) 5.030======================= Grid point 38 (29/344) =======================q-point: ( 0.53 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.098 ( 0.574 5.336 -0.872) 5.437 2.316 ( 3.347 4.873 -3.543) 6.892 2.558 ( -2.421 1.858 2.388) 3.874 2.683 ( 0.819 0.493 -0.334) 1.013 2.968 ( -5.365 5.186 0.191) 7.465 3.937 ( 2.239 -0.539 1.446) 2.719 6.016 ( -1.845 6.826 0.572) 7.094 6.185 ( 4.527 0.152 -1.032) 4.645 6.428 ( 1.548 2.747 -1.002) 3.309 6.634 ( -9.633 -0.158 0.518) 9.648 6.967 ( -0.265 0.208 -0.257) 0.424 8.104 ( 3.462 -4.796 -0.125) 5.916======================= Grid point 39 (30/344) =======================q-point: (-0.40 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.109 ( -3.567 2.322 0.239) 4.263 2.359 ( -1.806 0.744 0.816) 2.117 2.530 ( -2.361 1.449 -0.212) 2.778 2.687 ( -0.104 -0.705 0.172) 0.733 2.933 ( -5.034 7.077 -3.633) 9.414 3.942 ( -1.016 -1.859 2.011) 2.921 6.010 ( -5.421 4.456 -0.049) 7.018 6.200 ( -0.972 -3.463 0.612) 3.649 6.442 ( -2.806 0.955 0.475) 3.002 6.618 ( 4.112 8.125 -1.206) 9.185 6.976 ( 0.981 0.461 0.775) 1.332 8.108 ( 2.886 -5.186 0.355) 5.946======================= Grid point 40 (31/344) =======================q-point: (-0.33 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.022 ( -7.542 -1.910 1.981) 8.028 2.291 ( -7.016 0.219 4.121) 8.140 2.490 ( -5.336 3.012 -2.173) 6.501 2.664 ( -1.037 -3.038 0.839) 3.318 2.939 ( 0.438 5.980 -5.532) 8.158 3.863 ( -7.120 -2.696 1.080) 7.689 5.929 ( -7.580 1.660 -0.340) 7.767 6.125 ( -3.401 -2.891 1.347) 4.663 6.404 ( -4.204 3.011 0.805) 5.233 6.817 ( 9.503 7.729 -3.363) 12.702 7.017 ( 3.536 -0.472 2.492) 4.351 8.111 ( 3.118 -4.270 1.317) 5.449======================= Grid point 41 (32/344) =======================q-point: (-0.27 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.839 ( -11.635 -4.299 3.102) 12.786 2.155 ( -11.670 0.592 4.283) 12.445 2.407 ( -7.070 3.414 -2.232) 8.162 2.601 ( -2.648 -3.595 0.620) 4.508 3.026 ( 5.534 3.640 -2.839) 7.206 3.645 ( -15.556 -3.882 -1.328) 16.088 5.795 ( -9.301 0.043 -0.445) 9.312 6.068 ( -1.100 -1.231 1.135) 2.003 6.362 ( -4.243 2.694 0.568) 5.058 7.001 ( 5.504 4.056 -5.030) 8.487 7.124 ( 9.664 0.272 3.538) 10.294 8.151 ( 4.757 -1.965 2.442) 5.697======================= Grid point 42 (33/344) =======================q-point: (-0.20 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.577 ( -16.100 -3.742 2.289) 16.687 1.942 ( -15.774 0.583 3.039) 16.075 2.317 ( -6.128 1.938 -1.305) 6.558 2.511 ( -5.058 -2.547 -0.187) 5.666 3.147 ( 0.306 3.028 5.729) 6.487 3.284 ( -16.665 -4.859 -7.733) 19.004 5.628 ( -10.018 -0.569 -0.340) 10.040 6.078 ( 2.575 0.050 0.527) 2.629 6.326 ( -2.483 1.361 0.256) 2.843 7.065 ( 2.057 0.310 -1.791) 2.745 7.329 ( 12.120 1.262 0.427) 12.193 8.243 ( 6.244 -0.032 2.172) 6.612======================= Grid point 43 (34/344) =======================q-point: (-0.13 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.264 ( -19.121 -0.000 0.000) 19.121 1.658 ( -19.645 -0.000 0.000) 19.645 2.238 ( -4.160 -0.000 0.000) 4.160 2.363 ( -12.698 -0.000 0.000) 12.698 2.789 ( -26.575 -0.000 0.000) 26.575 3.326 ( 8.321 0.000 -0.000) 8.321 5.463 ( -9.033 -0.000 0.000) 9.033 6.147 ( 5.189 0.000 -0.000) 5.189 6.312 ( -0.004 -0.000 0.000) 0.004 7.080 ( 0.069 0.000 -0.000) 0.069 7.538 ( 12.152 0.000 -0.000) 12.152 8.350 ( 5.826 0.000 -0.000) 5.826======================= Grid point 48 (35/344) =======================q-point: ( 0.20 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.422 ( -0.000 19.169 10.661) 21.934 1.484 ( -0.000 21.328 6.321) 22.245 2.082 ( 0.000 0.129 -6.549) 6.550 2.210 ( -0.000 23.941 5.298) 24.521 2.596 ( 0.000 18.738 -4.052) 19.171 3.342 ( 0.000 -8.170 -2.235) 8.471 5.372 ( 0.000 7.773 -0.422) 7.784 6.195 ( -0.000 -5.075 -0.123) 5.076 6.310 ( -0.000 -2.334 0.261) 2.348 6.935 ( 0.000 2.097 -10.227) 10.440 7.681 ( -0.000 -12.146 3.039) 12.521 8.431 ( 0.000 -2.784 -1.396) 3.115======================= Grid point 49 (36/344) =======================q-point: ( 0.27 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.580 ( -3.893 18.876 10.988) 22.186 1.731 ( 2.983 17.995 0.667) 18.252 2.114 ( 5.510 1.655 -6.076) 8.367 2.426 ( 2.730 9.892 2.867) 10.655 2.831 ( 4.947 23.368 -6.037) 24.637 3.274 ( 1.313 -6.022 2.565) 6.675 5.478 ( 3.306 8.658 0.170) 9.269 6.137 ( -1.682 -3.869 -0.148) 4.221 6.299 ( 0.865 -1.049 0.057) 1.360 6.937 ( 2.317 -0.755 -7.831) 8.202 7.550 ( -2.859 -11.727 2.736) 12.377 8.362 ( -4.122 -3.184 -2.009) 5.583======================= Grid point 50 (37/344) =======================q-point: ( 0.33 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.722 ( -1.791 15.005 7.095) 16.694 1.937 ( 3.361 15.223 -2.246) 15.750 2.252 ( 8.075 4.959 -3.252) 10.019 2.519 ( 0.898 4.560 -0.409) 4.666 3.023 ( 2.785 2.601 -6.961) 7.936 3.382 ( 7.726 11.203 7.640) 15.606 5.641 ( 5.359 9.315 1.161) 10.809 6.072 ( -2.237 -1.886 -0.746) 3.020 6.322 ( 1.778 1.392 -0.516) 2.317 6.942 ( 3.064 -3.811 -5.830) 7.609 7.385 ( -5.027 -10.472 2.751) 11.937 8.235 ( -6.228 -3.136 -2.688) 7.473======================= Grid point 51 (38/344) =======================q-point: ( 0.40 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.859 ( 1.536 11.430 3.185) 11.965 2.114 ( 2.778 12.009 -2.996) 12.685 2.431 ( 6.828 6.445 -0.639) 9.411 2.569 ( 1.106 3.620 -0.238) 3.793 3.027 ( 2.091 -3.568 -1.554) 4.418 3.653 ( 7.132 11.374 3.306) 13.826 5.825 ( 5.093 8.972 2.071) 10.523 6.035 ( -0.669 0.607 -1.497) 1.748 6.374 ( 1.580 3.670 -1.494) 4.266 6.928 ( 2.545 -5.424 -4.839) 7.701 7.203 ( -6.981 -8.189 2.931) 11.153 8.103 ( -4.598 -3.047 -2.350) 5.996======================= Grid point 52 (39/344) =======================q-point: ( 0.47 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.010 ( 3.287 9.772 1.614) 10.436 2.236 ( 1.643 8.002 -3.517) 8.894 2.567 ( 3.471 3.116 0.163) 4.667 2.626 ( 0.815 3.474 1.994) 4.087 3.048 ( 2.138 1.622 0.442) 2.719 3.824 ( 3.674 4.453 0.475) 5.792 5.973 ( 2.944 6.284 1.957) 7.210 6.066 ( 2.376 3.776 -1.412) 4.679 6.420 ( 0.108 3.389 -2.416) 4.164 6.893 ( -0.450 -4.079 -3.917) 5.673 7.031 ( -6.343 -4.025 2.873) 8.043 8.022 ( -0.503 -3.806 -1.189) 4.019======================= Grid point 53 (40/344) =======================q-point: ( 0.53 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.147 ( 1.569 8.417 0.640) 8.586 2.313 ( 1.652 5.065 -2.887) 6.060 2.605 ( -1.054 0.163 1.178) 1.589 2.658 ( 1.283 -0.988 1.821) 2.437 3.117 ( -1.857 10.148 -0.106) 10.317 3.882 ( 2.592 -1.698 0.116) 3.101 6.071 ( 2.569 4.618 0.564) 5.315 6.145 ( 1.744 3.648 -0.177) 4.048 6.424 ( -0.214 -0.195 -2.326) 2.344 6.794 ( -7.613 1.629 -0.433) 7.797 6.973 ( -0.196 -0.057 0.363) 0.417 7.998 ( 2.610 -5.207 -0.329) 5.833======================= Grid point 54 (41/344) =======================q-point: (-0.40 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.206 ( -3.223 5.818 0.219) 6.655 2.372 ( 1.351 2.527 -1.425) 3.200 2.566 ( -2.086 -1.119 1.247) 2.676 2.664 ( 0.981 -2.663 0.258) 2.850 3.142 ( -8.243 12.114 -1.898) 14.775 3.904 ( 3.150 -3.755 1.551) 5.140 6.125 ( -2.928 3.905 0.206) 4.885 6.175 ( 0.889 -0.703 -0.162) 1.144 6.428 ( 2.882 -1.284 -0.545) 3.202 6.725 ( -5.520 8.182 0.086) 9.871 6.978 ( -0.166 0.677 -0.027) 0.697 7.997 ( 3.673 -5.876 0.049) 6.930======================= Grid point 55 (42/344) =======================q-point: (-0.33 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.148 ( -7.689 1.328 0.585) 7.825 2.380 ( -2.260 0.867 1.338) 2.766 2.549 ( -0.487 1.393 -1.610) 2.184 2.643 ( -0.007 -3.352 0.364) 3.372 3.076 ( -9.492 8.058 -2.802) 12.763 3.909 ( -0.391 -2.473 1.806) 3.087 6.056 ( -6.431 0.503 -0.112) 6.452 6.157 ( -2.276 -1.220 0.376) 2.610 6.474 ( 0.941 1.583 0.872) 2.037 6.777 ( 2.092 8.762 -1.414) 9.119 6.979 ( 0.718 -1.139 0.701) 1.518 8.009 ( 4.026 -4.720 0.434) 6.219======================= Grid point 56 (43/344) =======================q-point: (-0.27 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.000 ( -10.163 -1.000 0.890) 10.251 2.321 ( -6.628 0.582 1.693) 6.866 2.536 ( -3.997 3.251 -2.106) 5.566 2.600 ( -1.276 -3.742 1.104) 4.105 3.012 ( -2.384 3.081 -2.081) 4.417 3.826 ( -8.480 -1.359 0.596) 8.609 5.940 ( -7.865 0.064 -0.154) 7.867 6.096 ( -3.196 -0.855 0.471) 3.342 6.466 ( -4.220 2.050 0.626) 4.733 6.929 ( 7.207 6.064 -3.818) 10.163 6.999 ( 4.275 -3.203 3.055) 6.154 8.052 ( 5.009 -2.092 0.731) 5.477======================= Grid point 57 (44/344) =======================q-point: (-0.20 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.805 ( -12.862 -0.000 0.000) 12.862 2.175 ( -11.527 -0.000 0.000) 11.527 2.445 ( -7.718 -0.000 0.000) 7.718 2.556 ( -2.187 -0.000 0.000) 2.187 3.057 ( 5.795 0.000 -0.000) 5.795 3.599 ( -17.867 -0.000 0.000) 17.867 5.793 ( -9.812 -0.000 0.000) 9.812 6.059 ( -0.485 -0.000 0.000) 0.485 6.396 ( -4.803 -0.000 0.000) 4.803 7.023 ( 2.930 0.000 -0.000) 2.930 7.137 ( 11.501 0.000 -0.000) 11.501 8.138 ( 6.208 0.000 -0.000) 6.208======================= Grid point 64 (45/344) =======================q-point: ( 0.27 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.819 ( -0.000 15.825 8.859) 18.136 1.884 ( -0.000 17.172 2.818) 17.402 2.046 ( 0.000 0.901 -7.864) 7.915 2.498 ( 0.000 7.098 0.148) 7.100 2.952 ( 0.000 10.892 -10.316) 15.002 3.258 ( -0.000 6.445 8.610) 10.755 5.533 ( 0.000 8.855 0.055) 8.855 6.122 ( -0.000 -2.238 0.310) 2.259 6.278 ( -0.000 -0.920 0.009) 0.920 6.882 ( 0.000 -2.357 -7.061) 7.444 7.467 ( -0.000 -11.529 1.841) 11.675 8.363 ( 0.000 -3.289 -1.456) 3.597======================= Grid point 65 (46/344) =======================q-point: ( 0.33 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.915 ( -4.200 8.648 3.035) 10.082 2.031 ( 1.545 13.703 0.646) 13.805 2.158 ( 8.147 7.393 -3.054) 11.417 2.546 ( 0.394 3.558 -3.189) 4.794 2.956 ( 1.398 -4.615 -4.315) 6.470 3.456 ( 3.591 18.935 6.880) 20.463 5.652 ( 3.916 8.795 0.629) 9.648 6.095 ( -1.781 -0.288 -0.157) 1.811 6.293 ( 2.160 0.600 -0.218) 2.252 6.845 ( 1.586 -4.591 -5.532) 7.362 7.347 ( -2.076 -10.456 1.350) 10.746 8.291 ( -4.241 -2.962 -1.597) 5.414======================= Grid point 66 (47/344) =======================q-point: ( 0.40 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.951 ( -0.067 6.942 0.332) 6.950 2.176 ( 1.861 9.570 -0.879) 9.789 2.372 ( 7.887 8.522 0.289) 11.615 2.581 ( 1.844 3.415 -3.275) 5.079 2.925 ( 2.732 -6.678 0.104) 7.216 3.704 ( 3.403 15.186 3.472) 15.946 5.824 ( 5.873 8.437 1.622) 10.407 6.065 ( -1.985 1.689 -1.088) 2.824 6.355 ( 3.413 2.316 -1.055) 4.257 6.813 ( 2.586 -6.168 -4.047) 7.817 7.212 ( -3.487 -8.624 1.236) 9.384 8.169 ( -6.379 -2.283 -1.590) 6.959======================= Grid point 67 (48/344) =======================q-point: ( 0.47 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.052 ( 3.209 7.656 1.022) 8.364 2.271 ( 1.570 5.692 -2.456) 6.395 2.530 ( 3.510 3.277 1.136) 4.935 2.662 ( 1.387 5.038 0.825) 5.290 2.957 ( 8.037 -1.944 0.115) 8.270 3.853 ( 0.088 7.880 0.580) 7.902 5.987 ( 3.503 6.129 2.164) 7.384 6.073 ( 0.843 4.159 -1.390) 4.466 6.422 ( 1.909 1.983 -2.615) 3.796 6.803 ( 4.252 -4.542 -2.422) 6.676 7.081 ( -4.218 -5.825 1.290) 7.307 8.043 ( -5.480 -2.102 -1.103) 5.972======================= Grid point 68 (49/344) =======================q-point: ( 0.53 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.192 ( 3.565 7.960 1.107) 8.792 2.332 ( 1.110 4.048 -1.844) 4.585 2.591 ( 2.068 0.446 0.510) 2.176 2.666 ( -2.557 -1.900 2.704) 4.178 3.156 ( 9.548 8.688 0.126) 12.910 3.864 ( -2.733 0.041 -1.013) 2.915 6.068 ( 1.783 4.048 -0.112) 4.425 6.157 ( 2.446 4.319 1.074) 5.078 6.418 ( -1.233 -1.949 -3.111) 3.872 6.857 ( 3.230 1.795 -1.468) 3.976 6.983 ( -2.580 -2.301 1.414) 3.735 7.948 ( -2.437 -3.232 -0.493) 4.078======================= Grid point 69 (50/344) =======================q-point: ( 0.60 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.306 ( 0.440 7.129 0.226) 7.146 2.375 ( 0.324 3.168 -0.575) 3.236 2.588 ( -2.812 -3.713 1.423) 4.869 2.617 ( 1.362 -1.980 0.383) 2.434 3.361 ( -0.535 14.062 -0.397) 14.077 3.798 ( 1.303 -7.068 -0.216) 7.190 6.139 ( 2.342 2.811 -0.575) 3.704 6.210 ( -1.195 2.570 1.155) 3.061 6.363 ( 0.755 -3.890 -1.595) 4.272 6.881 ( -3.714 5.745 -0.096) 6.842 6.980 ( 1.269 0.408 0.114) 1.338 7.899 ( 1.139 -4.407 -0.120) 4.554======================= Grid point 70 (51/344) =======================q-point: (-0.33 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.301 ( -7.515 3.136 0.231) 8.146 2.402 ( 0.436 1.094 0.025) 1.179 2.545 ( 1.046 -1.340 -0.023) 1.700 2.612 ( 0.162 -1.800 0.034) 1.807 3.340 ( -12.873 7.453 -1.211) 14.924 3.828 ( 7.087 -3.764 1.010) 8.088 6.153 ( -4.696 -0.447 0.110) 4.718 6.178 ( -1.129 1.000 -0.248) 1.528 6.406 ( 6.205 -0.653 0.127) 6.240 6.884 ( -3.114 6.985 0.247) 7.652 6.972 ( -1.532 -1.796 -0.342) 2.385 7.904 ( 3.711 -3.095 0.060) 4.832======================= Grid point 71 (52/344) =======================q-point: (-0.27 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.163 ( -9.727 -0.000 0.000) 9.727 2.397 ( -2.079 -0.000 0.000) 2.079 2.567 ( 1.192 0.000 -0.000) 1.192 2.596 ( -0.775 -0.000 0.000) 0.775 3.153 ( -11.704 -0.000 0.000) 11.704 3.887 ( 0.498 0.000 -0.000) 0.498 6.055 ( -6.289 -0.000 0.000) 6.289 6.149 ( -2.954 -0.000 0.000) 2.954 6.494 ( 2.912 0.000 -0.000) 2.912 6.896 ( -0.413 -0.000 0.000) 0.413 6.939 ( 1.278 0.000 -0.000) 1.278 7.960 ( 4.688 0.000 -0.000) 4.688======================= Grid point 80 (53/344) =======================q-point: ( 0.33 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.987 ( 0.000 -0.009 -3.626) 3.626 2.148 ( 0.000 9.501 -3.452) 10.108 2.164 ( -0.000 12.969 2.757) 13.258 2.549 ( 0.000 1.057 -5.815) 5.910 2.890 ( -0.000 -5.571 2.016) 5.924 3.638 ( -0.000 19.754 5.639) 20.543 5.695 ( 0.000 7.482 0.385) 7.492 6.118 ( 0.000 1.741 -0.202) 1.753 6.280 ( 0.000 1.217 -0.173) 1.229 6.769 ( 0.000 -5.690 -4.081) 7.002 7.269 ( -0.000 -9.564 0.326) 9.569 8.296 ( 0.000 -2.648 -1.222) 2.917======================= Grid point 81 (54/344) =======================q-point: ( 0.40 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.978 ( 0.800 1.473 -3.394) 3.785 2.209 ( 1.639 3.717 -5.189) 6.590 2.347 ( 6.437 10.684 1.535) 12.567 2.554 ( 1.601 1.293 -4.200) 4.677 2.852 ( -0.034 -4.907 4.708) 6.800 3.835 ( 0.643 15.715 3.881) 16.200 5.805 ( 4.910 6.386 0.724) 8.087 6.122 ( -2.087 3.223 -1.056) 3.982 6.320 ( 2.640 2.223 -0.388) 3.473 6.711 ( 1.191 -6.540 -2.409) 7.070 7.173 ( -1.404 -7.969 -0.154) 8.093 8.236 ( -4.023 -1.921 -1.067) 4.584======================= Grid point 82 (55/344) =======================q-point: ( 0.47 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.041 ( 4.499 3.749 -0.984) 5.938 2.254 ( 3.400 0.680 -4.817) 5.935 2.531 ( 2.307 5.358 2.228) 6.245 2.642 ( 8.140 5.740 -3.118) 10.436 2.823 ( 1.691 -4.983 4.347) 6.825 3.959 ( -1.759 9.611 1.609) 9.902 5.967 ( 6.522 5.320 1.378) 8.529 6.116 ( -1.836 4.038 -1.640) 4.729 6.390 ( 2.970 1.859 -1.486) 3.806 6.679 ( 3.442 -5.797 -0.781) 6.787 7.076 ( -2.077 -5.700 -0.210) 6.070 8.130 ( -6.336 -1.093 -0.783) 6.477======================= Grid point 83 (56/344) =======================q-point: ( 0.53 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.176 ( 5.906 4.963 0.548) 7.734 2.311 ( 4.105 0.597 -2.570) 4.880 2.581 ( 0.555 1.559 1.026) 1.948 2.708 ( -3.228 -0.816 1.680) 3.730 2.985 ( 16.227 3.565 0.323) 16.617 3.961 ( -5.907 3.486 -0.228) 6.863 6.088 ( 1.590 4.230 0.340) 4.532 6.148 ( 2.308 2.851 -0.005) 3.668 6.411 ( -0.650 -1.090 -2.326) 2.650 6.742 ( 8.617 -1.474 0.074) 8.743 7.001 ( -1.865 -2.698 0.022) 3.280 8.009 ( -6.606 -0.958 -0.416) 6.688======================= Grid point 84 (57/344) =======================q-point: ( 0.60 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.303 ( 4.196 2.805 -0.244) 5.053 2.390 ( 4.018 2.760 -0.068) 4.875 2.591 ( -1.054 -1.277 0.899) 1.884 2.625 ( -3.990 -1.616 0.542) 4.339 3.311 ( 16.649 5.371 0.320) 17.497 3.835 ( -9.926 -1.511 -0.753) 10.069 6.138 ( 0.878 2.975 -0.593) 3.158 6.214 ( 3.121 0.830 1.257) 3.466 6.350 ( -3.379 -2.361 -1.501) 4.387 6.894 ( 7.947 1.446 -0.401) 8.088 6.964 ( -1.114 -0.276 0.433) 1.227 7.901 ( -4.611 -1.354 -0.141) 4.808======================= Grid point 85 (58/344) =======================q-point: (-0.33 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.365 ( 1.896 0.000 -0.000) 1.896 2.476 ( -7.569 -0.000 0.000) 7.569 2.485 ( 3.901 0.000 -0.000) 3.901 2.607 ( -0.121 -0.000 0.000) 0.121 3.612 ( -13.852 -0.000 0.000) 13.852 3.615 ( 14.653 0.000 -0.000) 14.653 6.166 ( 0.779 0.000 -0.000) 0.779 6.256 ( -5.265 -0.000 0.000) 5.265 6.297 ( 5.615 0.000 -0.000) 5.615 6.947 ( -1.071 -0.000 0.000) 1.071 6.984 ( 1.001 0.000 -0.000) 1.001 7.852 ( 0.125 0.000 -0.000) 0.125======================= Grid point 96 (59/344) =======================q-point: ( 0.40 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.959 ( 0.000 -0.238 -3.733) 3.741 2.167 ( 0.000 -2.095 -10.524) 10.731 2.389 ( -0.000 8.449 2.443) 8.795 2.556 ( 0.000 2.720 -0.755) 2.823 2.835 ( -0.000 -2.993 5.189) 5.991 3.983 ( -0.000 12.890 3.442) 13.342 5.811 ( 0.000 4.244 0.326) 4.257 6.176 ( 0.000 4.411 -1.691) 4.724 6.318 ( 0.000 2.560 -0.120) 2.563 6.634 ( -0.000 -6.544 -0.479) 6.561 7.112 ( 0.000 -6.472 -0.806) 6.522 8.251 ( 0.000 -1.504 -0.785) 1.697======================= Grid point 97 (60/344) =======================q-point: ( 0.47 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.985 ( 4.194 1.172 -1.572) 4.630 2.147 ( 4.305 -3.470 -7.924) 9.662 2.519 ( 6.491 5.909 1.332) 8.878 2.584 ( 0.563 2.308 -0.205) 2.385 2.814 ( -1.281 -2.266 3.899) 4.689 4.082 ( -1.589 8.112 2.003) 8.506 5.897 ( 5.907 2.940 0.397) 6.610 6.189 ( -2.416 4.151 -1.915) 5.171 6.363 ( 2.168 2.222 -0.457) 3.138 6.585 ( 1.311 -5.592 0.741) 5.791 7.049 ( -0.901 -4.384 -0.801) 4.547 8.205 ( -3.701 -0.815 -0.517) 3.824======================= Grid point 98 (61/344) =======================q-point: ( 0.53 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.108 ( 7.101 3.400 1.451) 8.006 2.191 ( 6.838 -3.172 -4.543) 8.801 2.597 ( -0.188 1.319 0.537) 1.437 2.734 ( 9.655 4.133 -2.031) 10.697 2.777 ( 1.224 -2.728 3.681) 4.742 4.088 ( -4.766 3.200 0.501) 5.762 6.040 ( 7.369 1.811 0.487) 7.604 6.176 ( -2.179 2.316 -1.061) 3.352 6.403 ( 0.677 0.425 -0.861) 1.175 6.598 ( 5.548 -2.485 0.733) 6.123 7.000 ( -1.029 -1.914 -0.380) 2.206 8.115 ( -6.258 -0.268 -0.229) 6.268======================= Grid point 99 (62/344) =======================q-point: (-0.40 -0.60 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.238 ( 5.335 0.000 -0.000) 5.335 2.293 ( 7.819 0.000 -0.000) 7.819 2.599 ( -0.250 -0.000 0.000) 0.250 2.699 ( -4.745 -0.000 0.000) 4.745 3.029 ( 18.300 0.000 -0.000) 18.300 3.992 ( -8.415 -0.000 0.000) 8.415 6.152 ( 4.661 0.000 -0.000) 4.661 6.157 ( -0.996 -0.000 0.000) 0.996 6.388 ( -2.134 -0.000 0.000) 2.134 6.730 ( 10.646 0.000 -0.000) 10.646 6.977 ( -0.749 -0.000 0.000) 0.749 7.999 ( -7.138 -0.000 0.000) 7.138======================= Grid point 113 (63/344) =======================q-point: ( 0.47 0.47 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.940 ( 0.000 -0.089 -1.408) 1.411 2.058 ( 0.000 -2.398 -4.730) 5.303 2.508 ( -0.000 2.902 0.834) 3.019 2.603 ( -0.000 1.451 0.225) 1.468 2.819 ( -0.000 -1.034 1.981) 2.235 4.163 ( -0.000 4.355 1.211) 4.520 5.863 ( 0.000 1.248 0.101) 1.252 6.245 ( 0.000 3.092 -1.742) 3.549 6.359 ( 0.000 1.326 -0.019) 1.326 6.532 ( -0.000 -3.665 1.188) 3.853 7.022 ( 0.000 -2.328 -0.598) 2.403 8.229 ( 0.000 -0.452 -0.264) 0.524======================= Grid point 114 (64/344) =======================q-point: (-0.47 -0.53 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.003 ( 7.267 0.000 -0.000) 7.267 2.069 ( 3.511 0.000 -0.000) 3.511 2.581 ( 6.997 0.000 -0.000) 6.997 2.608 ( -0.218 -0.000 0.000) 0.218 2.804 ( -1.578 -0.000 0.000) 1.578 4.166 ( -2.379 -0.000 0.000) 2.379 5.926 ( 6.314 0.000 -0.000) 6.314 6.230 ( -2.696 -0.000 0.000) 2.696 6.386 ( 1.695 0.000 -0.000) 1.695 6.528 ( 1.670 0.000 -0.000) 1.670 7.004 ( -0.670 -0.000 0.000) 0.670 8.197 ( -3.550 -0.000 0.000) 3.550======================= Grid point 245 (65/344) =======================q-point: ( 0.07 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.212 ( -0.000 0.000 23.987) 23.987 0.212 ( -0.000 0.000 23.987) 23.987 0.366 ( -0.000 0.000 41.426) 41.426 2.133 ( 0.000 -0.000 -1.896) 1.896 2.133 ( 0.000 -0.000 -1.896) 1.896 4.068 ( 0.000 -0.000 -5.304) 5.304 5.153 ( 0.000 -0.000 -0.030) 0.030 5.153 ( 0.000 -0.000 -0.030) 0.030 6.413 ( -0.000 0.000 0.068) 0.068 6.413 ( -0.000 0.000 0.068) 0.068 8.130 ( -0.000 0.000 1.351) 1.351 8.544 ( 0.000 -0.000 -0.521) 0.521======================= Grid point 246 (66/344) =======================q-point: ( 0.13 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.414 ( 14.770 8.528 7.376) 18.582 0.475 ( 13.483 7.784 13.994) 20.933 1.009 ( 32.801 18.938 21.427) 43.516 2.145 ( 1.013 0.585 -1.258) 1.718 2.164 ( 3.824 2.208 -3.879) 5.877 3.610 ( -5.730 -3.308 1.802) 6.858 5.184 ( 2.594 1.498 0.392) 3.021 6.388 ( -2.481 -1.432 0.145) 2.869 6.394 ( -1.600 -0.924 -0.112) 1.851 6.670 ( 26.967 15.570 -46.609) 56.054 8.073 ( -6.113 -3.529 3.597) 7.922 8.473 ( -2.288 -1.321 -0.249) 2.654======================= Grid point 247 (67/344) =======================q-point: ( 0.20 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.787 ( 17.248 9.958 1.010) 19.942 0.839 ( 16.356 9.443 3.373) 19.185 1.782 ( 31.445 18.155 15.290) 39.398 2.171 ( 1.500 0.866 -0.531) 1.811 2.268 ( 6.644 3.836 -6.281) 9.915 3.514 ( -3.638 -2.100 -1.893) 4.607 5.269 ( 4.857 2.804 0.662) 5.648 6.306 ( -4.791 -2.766 -0.145) 5.535 6.348 ( -2.381 -1.375 -0.258) 2.762 6.928 ( 9.660 5.577 -16.543) 19.952 7.906 ( -9.667 -5.581 4.864) 12.176 8.410 ( -3.263 -1.884 -4.670) 6.001======================= Grid point 248 (68/344) =======================q-point: ( 0.27 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.166 ( 16.798 9.698 -1.502) 19.455 1.202 ( 16.263 9.389 -2.828) 18.990 2.209 ( 1.968 1.136 0.334) 2.297 2.368 ( 9.201 5.312 3.364) 11.144 2.497 ( 23.864 13.778 -1.027) 27.575 3.442 ( -2.300 -1.328 1.158) 2.897 5.399 ( 6.628 3.827 0.763) 7.691 6.188 ( -5.314 -3.068 -0.580) 6.164 6.296 ( -2.024 -1.169 -0.355) 2.364 7.057 ( 4.996 2.885 -6.268) 8.519 7.686 ( -11.398 -6.581 4.549) 13.925 8.303 ( -4.485 -2.589 -6.879) 8.610======================= Grid point 249 (69/344) =======================q-point: ( 0.33 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.508 ( 14.458 8.348 -3.018) 16.966 1.535 ( 15.002 8.661 -6.723) 18.582 2.260 ( 2.495 1.441 1.340) 3.177 2.507 ( 5.584 3.224 -3.180) 7.190 2.950 ( 12.928 7.464 -0.472) 14.936 3.462 ( 4.515 2.607 7.468) 9.107 5.557 ( 7.160 4.134 0.727) 8.300 6.087 ( -3.171 -1.831 -1.038) 3.806 6.264 ( -0.572 -0.330 -0.383) 0.763 7.104 ( 0.344 0.199 -2.394) 2.426 7.428 ( -12.898 -7.447 2.731) 15.141 8.199 ( -2.587 -1.494 -6.180) 6.865======================= Grid point 250 (70/344) =======================q-point: ( 0.40 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.776 ( 10.482 6.052 -3.881) 12.711 1.824 ( 13.206 7.624 -8.386) 17.402 2.327 ( 3.027 1.747 2.224) 4.143 2.607 ( 4.203 2.427 -2.625) 5.518 3.051 ( -1.304 -0.753 1.500) 2.126 3.672 ( 9.928 5.732 6.404) 13.131 5.706 ( 5.849 3.377 0.564) 6.777 6.057 ( 0.976 0.564 -1.488) 1.867 6.272 ( 1.367 0.789 -0.302) 1.607 7.064 ( -3.743 -2.161 0.751) 4.387 7.137 ( -12.873 -7.432 -1.804) 14.974 8.164 ( 0.479 0.276 -3.202) 3.250======================= Grid point 251 (71/344) =======================q-point: ( 0.47 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.947 ( 6.042 3.489 -3.642) 7.870 2.069 ( 11.093 6.404 -8.091) 15.150 2.400 ( 2.745 1.585 2.348) 3.944 2.671 ( 1.901 1.097 -1.914) 2.912 2.984 ( -4.602 -2.657 4.051) 6.682 3.865 ( 5.800 3.348 3.607) 7.606 5.810 ( 3.362 1.941 0.321) 3.895 6.122 ( 5.206 3.005 -1.819) 6.280 6.316 ( 2.302 1.329 -0.134) 2.662 6.826 ( -13.273 -7.663 1.288) 15.380 7.005 ( -2.387 -1.378 -2.504) 3.724 8.184 ( 1.510 0.872 -0.956) 1.989======================= Grid point 252 (72/344) =======================q-point: ( 0.53 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.031 ( 2.544 1.469 -2.280) 3.719 2.260 ( 7.561 4.365 -5.673) 10.412 2.448 ( 0.713 0.411 1.573) 1.775 2.672 ( -1.084 -0.626 -0.729) 1.449 2.900 ( -3.363 -1.941 1.772) 4.268 3.953 ( 1.472 0.850 2.829) 3.301 5.858 ( 1.008 0.582 0.126) 1.171 6.264 ( 7.417 4.282 -1.791) 8.750 6.357 ( 1.119 0.646 -0.007) 1.292 6.565 ( -9.876 -5.702 1.066) 11.454 6.968 ( -0.442 -0.255 -0.528) 0.734 8.210 ( 0.772 0.446 -0.085) 0.896======================= Grid point 253 (73/344) =======================q-point: (-0.40 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.051 ( -0.340 -0.196 -0.149) 0.420 2.329 ( -1.780 -1.028 1.631) 2.623 2.434 ( -2.230 -1.288 0.151) 2.580 2.669 ( 2.052 1.185 -1.334) 2.720 2.847 ( -1.110 -0.641 -3.729) 3.943 3.948 ( -2.716 -1.568 2.346) 3.916 5.857 ( -1.141 -0.659 -0.001) 1.318 6.292 ( -6.337 -3.659 1.143) 7.406 6.357 ( -1.070 -0.618 0.048) 1.236 6.541 ( 9.010 5.202 -1.543) 10.518 6.985 ( 1.883 1.087 1.242) 2.504 8.216 ( -0.252 -0.145 0.494) 0.573======================= Grid point 254 (74/344) =======================q-point: (-0.33 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.008 ( -4.242 -2.449 2.904) 5.694 2.211 ( -9.092 -5.249 7.391) 12.839 2.358 ( -3.928 -2.268 -2.131) 5.012 2.698 ( -1.300 -0.751 1.340) 2.012 2.872 ( 5.950 3.435 -8.588) 10.998 3.833 ( -8.370 -4.832 0.337) 9.671 5.805 ( -3.578 -2.066 -0.172) 4.135 6.156 ( -5.285 -3.051 1.854) 6.378 6.318 ( -2.181 -1.259 0.124) 2.522 6.776 ( 11.476 6.626 -3.856) 13.801 7.060 ( 4.380 2.529 3.038) 5.900 8.211 ( -0.178 -0.103 1.893) 1.904======================= Grid point 255 (75/344) =======================q-point: (-0.27 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.864 ( -10.172 -5.873 5.806) 13.102 1.990 ( -13.036 -7.526 9.523) 17.812 2.270 ( -2.843 -1.642 -4.176) 5.313 2.635 ( -4.140 -2.390 0.513) 4.808 3.012 ( 6.987 4.034 -3.516) 8.801 3.571 ( -14.688 -8.480 -4.002) 17.426 5.697 ( -6.089 -3.515 -0.451) 7.045 6.085 ( -1.381 -0.797 1.577) 2.243 6.277 ( -1.233 -0.712 0.273) 1.450 6.981 ( 7.629 4.405 -6.296) 10.828 7.205 ( 7.984 4.609 3.632) 9.909 8.233 ( 1.585 0.915 4.108) 4.497======================= Grid point 256 (76/344) =======================q-point: (-0.20 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.599 ( -15.122 -8.731 6.975) 18.803 1.692 ( -16.392 -9.464 10.033) 21.422 2.211 ( -1.507 -0.870 -4.275) 4.616 2.515 ( -7.139 -4.122 -1.519) 8.383 3.016 ( -15.383 -8.881 6.575) 18.940 3.294 ( 0.530 0.306 -11.210) 11.227 5.543 ( -7.301 -4.215 -0.736) 8.463 6.105 ( 2.679 1.547 0.909) 3.224 6.272 ( 0.618 0.357 0.411) 0.823 7.071 ( 2.498 1.442 -5.519) 6.227 7.418 ( 10.128 5.847 1.287) 11.765 8.307 ( 3.643 2.103 5.310) 6.774======================= Grid point 257 (77/344) =======================q-point: (-0.13 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.253 ( -17.811 -10.283 7.897) 22.031 1.329 ( -18.917 -10.922 9.921) 23.990 2.173 ( -0.896 -0.517 -3.674) 3.816 2.229 ( -21.026 -12.139 -6.644) 25.172 2.590 ( -16.636 -9.605 4.283) 19.681 3.397 ( 6.472 3.737 -3.469) 8.239 5.384 ( -6.619 -3.821 -0.882) 7.693 6.195 ( 4.903 2.831 0.156) 5.664 6.303 ( 1.978 1.142 0.455) 2.329 7.075 ( -0.492 -0.284 -4.346) 4.383 7.647 ( 10.185 5.881 0.314) 11.765 8.406 ( 3.614 2.087 4.151) 5.886======================= Grid point 258 (78/344) =======================q-point: (-0.07 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.871 ( -18.803 -10.856 9.730) 23.792 0.924 ( -20.144 -11.630 10.155) 25.381 1.576 ( -33.341 -19.249 -5.628) 38.908 2.148 ( -0.474 -0.274 -3.059) 3.107 2.345 ( -8.472 -4.892 1.980) 9.981 3.515 ( 4.664 2.693 -1.410) 5.568 5.255 ( -4.674 -2.699 -0.800) 5.456 6.304 ( 4.587 2.648 -0.342) 5.308 6.354 ( 2.266 1.308 0.394) 2.646 7.034 ( -1.840 -1.062 -6.482) 6.821 7.866 ( 9.322 5.382 1.081) 10.818 8.473 ( 1.465 0.846 1.747) 2.432======================= Grid point 261 (79/344) =======================q-point: ( 0.13 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.582 ( -0.000 23.739 8.038) 25.063 0.634 ( -0.000 18.510 17.699) 25.610 0.948 ( -0.000 29.250 24.798) 38.347 2.105 ( 0.000 -0.500 -4.263) 4.292 2.188 ( 0.000 6.157 -2.175) 6.530 3.612 ( -0.000 -8.618 1.093) 8.687 5.172 ( 0.000 2.446 -0.400) 2.478 6.376 ( 0.000 -1.575 -2.702) 3.127 6.400 ( -0.000 -1.591 0.261) 1.612 6.530 ( 0.000 35.898 -44.058) 56.831 8.082 ( -0.000 -6.959 3.518) 7.798 8.489 ( 0.000 -1.525 -0.299) 1.554======================= Grid point 262 (80/344) =======================q-point: ( 0.20 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.786 ( -1.646 18.102 16.699) 24.683 0.880 ( 4.770 24.512 2.096) 25.059 1.559 ( 24.354 25.491 16.623) 38.978 2.117 ( 3.349 -0.403 -4.233) 5.413 2.257 ( 1.019 8.163 -3.496) 8.938 3.520 ( -1.983 -5.039 -3.030) 6.205 5.232 ( 3.325 3.642 0.046) 4.932 6.328 ( -1.992 -4.417 -0.537) 4.875 6.367 ( -1.623 -1.822 0.146) 2.445 6.777 ( 9.541 13.367 -23.992) 29.075 7.971 ( -4.892 -9.269 4.720) 11.494 8.444 ( -3.320 -0.802 -3.042) 4.574======================= Grid point 263 (81/344) =======================q-point: ( 0.27 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.038 ( 7.152 15.161 9.752) 19.393 1.201 ( 6.766 21.969 -2.017) 23.075 2.148 ( 8.513 3.487 -2.099) 9.436 2.245 ( 17.273 13.010 11.585) 24.532 2.368 ( 5.582 12.625 -6.869) 15.419 3.443 ( -0.964 -3.897 -1.824) 4.409 5.346 ( 5.225 5.130 0.512) 7.340 6.229 ( -4.045 -4.737 -0.633) 6.261 6.321 ( -2.008 -1.079 -0.086) 2.281 6.954 ( 7.750 4.799 -11.321) 14.534 7.786 ( -7.970 -9.686 5.097) 13.539 8.345 ( -5.396 -1.821 -5.588) 7.979======================= Grid point 264 (82/344) =======================q-point: ( 0.33 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.340 ( 10.603 11.872 3.525) 16.303 1.506 ( 7.503 18.727 -4.714) 20.718 2.239 ( 3.598 2.624 -1.094) 4.586 2.440 ( 4.813 4.186 -3.142) 7.111 2.809 ( 16.228 14.991 1.642) 22.153 3.427 ( 2.971 -1.056 3.783) 4.925 5.500 ( 6.177 6.383 0.781) 8.916 6.117 ( -3.726 -3.646 -0.937) 5.296 6.286 ( -1.630 0.506 -0.322) 1.737 7.056 ( 4.230 0.298 -5.647) 7.062 7.555 ( -10.460 -9.468 4.438) 14.790 8.219 ( -4.556 -2.172 -6.205) 7.999======================= Grid point 265 (83/344) =======================q-point: ( 0.40 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.623 ( 10.812 8.809 -0.872) 13.974 1.775 ( 6.950 15.239 -5.939) 17.771 2.323 ( 2.436 4.617 0.784) 5.279 2.545 ( 4.887 2.717 -3.071) 6.379 3.047 ( 2.869 2.675 -0.575) 3.965 3.581 ( 9.844 5.325 6.826) 13.110 5.666 ( 5.447 6.886 0.873) 8.823 6.048 ( -0.825 -1.410 -1.301) 2.088 6.280 ( -0.451 2.238 -0.452) 2.327 7.065 ( 0.133 -2.318 -4.207) 4.805 7.283 ( -12.951 -8.829 2.829) 15.927 8.141 ( -0.461 -1.639 -3.964) 4.314======================= Grid point 266 (84/344) =======================q-point: ( 0.47 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.853 ( 8.500 6.229 -2.562) 10.845 1.992 ( 6.183 11.667 -6.627) 14.774 2.411 ( 1.523 5.717 1.882) 6.208 2.630 ( 3.627 1.473 -2.162) 4.472 3.038 ( -3.073 -1.734 2.151) 4.133 3.802 ( 7.660 4.366 4.252) 9.789 5.805 ( 2.901 6.583 0.745) 7.233 6.063 ( 3.376 0.966 -1.641) 3.876 6.310 ( 0.895 3.187 -0.385) 3.333 6.976 ( -11.252 -7.445 -3.262) 13.881 7.022 ( -4.111 -2.544 1.236) 4.990 8.141 ( 2.575 -1.526 -1.369) 3.292======================= Grid point 267 (85/344) =======================q-point: ( 0.53 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.998 ( 3.810 4.404 -2.481) 6.330 2.175 ( 6.751 8.088 -6.331) 12.291 2.482 ( -0.418 5.237 2.153) 5.678 2.671 ( 0.857 0.250 -1.528) 1.770 2.956 ( -4.770 -1.948 2.091) 5.560 3.933 ( 3.569 1.494 3.332) 5.106 5.888 ( -0.247 5.923 0.444) 5.945 6.161 ( 6.819 1.880 -1.691) 7.273 6.360 ( 1.265 3.234 -0.242) 3.481 6.700 ( -12.060 -5.552 0.031) 13.277 6.972 ( -0.971 -0.885 -0.734) 1.505 8.170 ( 2.897 -2.077 -0.214) 3.571======================= Grid point 268 (86/344) =======================q-point: (-0.40 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.058 ( 0.299 2.604 -1.463) 3.002 2.315 ( 3.926 3.760 -3.475) 6.452 2.496 ( -3.415 2.885 1.834) 4.832 2.666 ( -0.620 1.040 -1.064) 1.611 2.871 ( -3.749 -0.874 -1.519) 4.138 3.974 ( -0.308 -0.642 3.461) 3.533 5.913 ( -2.959 4.738 0.181) 5.589 6.265 ( 3.649 -2.547 -0.523) 4.481 6.413 ( -0.378 3.477 -0.611) 3.550 6.512 ( -3.558 0.813 0.380) 3.669 6.969 ( 0.998 0.356 0.487) 1.166 8.188 ( 1.984 -2.785 0.195) 3.425======================= Grid point 269 (87/344) =======================q-point: (-0.33 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.051 ( -2.583 -0.312 0.652) 2.682 2.318 ( -4.841 -1.378 3.220) 5.975 2.440 ( -5.919 1.529 -0.043) 6.113 2.694 ( 1.557 0.997 0.099) 1.851 2.821 ( 0.045 2.357 -7.259) 7.633 3.921 ( -5.635 -2.734 2.580) 6.774 5.882 ( -5.210 2.642 0.014) 5.842 6.205 ( -4.114 -4.829 1.301) 6.476 6.366 ( -3.738 1.048 0.250) 3.890 6.657 ( 9.594 7.618 -2.703) 12.545 7.016 ( 3.504 0.988 1.944) 4.127 8.189 ( 1.580 -2.971 1.006) 3.512======================= Grid point 270 (88/344) =======================q-point: (-0.27 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.956 ( -6.939 -5.320 4.190) 9.696 2.181 ( -10.735 -2.103 6.225) 12.587 2.342 ( -6.726 1.895 -2.590) 7.452 2.668 ( -2.693 -2.902 0.746) 4.029 2.917 ( 7.353 5.773 -6.967) 11.659 3.734 ( -13.077 -5.420 0.087) 14.156 5.791 ( -7.300 0.140 -0.152) 7.303 6.109 ( -2.825 -2.647 1.494) 4.149 6.319 ( -3.312 1.373 0.279) 3.596 6.876 ( 8.891 6.473 -5.495) 12.294 7.120 ( 6.838 1.590 3.330) 7.770 8.202 ( 2.685 -2.061 2.593) 4.264======================= Grid point 271 (89/344) =======================q-point: (-0.20 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.736 ( -12.506 -9.920 6.900) 17.390 1.963 ( -15.527 -1.688 6.487) 16.912 2.257 ( -4.866 2.519 -3.938) 6.748 2.576 ( -4.919 -3.603 -0.317) 6.105 3.084 ( 6.734 4.601 -0.208) 8.158 3.385 ( -19.401 -7.781 -4.787) 21.444 5.647 ( -8.768 -1.608 -0.355) 8.921 6.082 ( 0.985 -0.359 1.018) 1.461 6.291 ( -1.812 1.717 0.315) 2.516 7.017 ( 4.444 3.192 -6.250) 8.306 7.295 ( 10.262 2.825 2.490) 10.932 8.260 ( 4.617 -0.492 3.735) 5.959======================= Grid point 272 (90/344) =======================q-point: (-0.13 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.408 ( -16.343 -12.161 7.826) 21.823 1.674 ( -19.751 -1.166 5.787) 20.614 2.202 ( -3.261 2.147 -3.704) 5.382 2.412 ( -11.308 -4.567 -1.730) 12.318 2.869 ( -25.472 -7.629 2.220) 26.683 3.291 ( 8.453 2.900 -4.506) 10.009 5.481 ( -8.653 -1.928 -0.475) 8.878 6.136 ( 4.399 1.090 0.321) 4.544 6.295 ( 0.305 1.432 0.309) 1.496 7.061 ( 0.890 1.087 -5.307) 5.490 7.511 ( 11.389 2.997 1.303) 11.848 8.355 ( 5.259 0.189 2.830) 5.976======================= Grid point 273 (91/344) =======================q-point: (-0.07 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.027 ( -18.006 -11.865 8.685) 23.247 1.319 ( -23.025 -1.932 3.436) 23.360 2.013 ( -31.073 -4.553 0.421) 31.408 2.166 ( -2.108 1.630 -3.175) 4.145 2.479 ( -13.370 -4.266 0.321) 14.038 3.436 ( 6.793 1.969 -1.739) 7.283 5.333 ( -7.063 -1.005 -0.372) 7.144 6.235 ( 5.721 1.186 -0.223) 5.847 6.326 ( 1.926 0.630 0.246) 2.041 7.044 ( -1.819 0.648 -6.287) 6.576 7.731 ( 11.457 2.167 1.810) 11.800 8.436 ( 3.772 -0.555 0.311) 3.825======================= Grid point 277 (92/344) =======================q-point: ( 0.20 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.075 ( -0.000 23.061 6.274) 23.899 1.088 ( -0.000 19.036 13.747) 23.481 1.664 ( -0.000 32.056 15.259) 35.503 2.066 ( 0.000 -0.364 -6.190) 6.200 2.329 ( 0.000 10.027 -3.751) 10.706 3.468 ( 0.000 -6.314 -4.081) 7.518 5.244 ( 0.000 5.307 -0.409) 5.323 6.295 ( 0.000 -5.019 -0.667) 5.063 6.360 ( -0.000 -2.572 0.273) 2.587 6.768 ( 0.000 12.883 -19.856) 23.669 7.923 ( -0.000 -11.486 4.430) 12.310 8.459 ( 0.000 -1.036 -3.071) 3.241======================= Grid point 278 (93/344) =======================q-point: ( 0.27 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.243 ( -3.780 19.404 14.576) 24.562 1.345 ( 2.379 22.388 0.772) 22.527 2.060 ( 5.136 5.822 -4.986) 9.226 2.158 ( 13.261 17.702 10.851) 24.637 2.428 ( 1.313 13.634 -6.129) 15.006 3.395 ( 0.011 -5.815 -2.992) 6.540 5.330 ( 3.388 6.591 0.050) 7.411 6.227 ( -1.956 -5.306 -0.528) 5.680 6.330 ( -0.667 -1.985 0.145) 2.099 6.862 ( 4.886 6.437 -12.664) 15.023 7.790 ( -3.605 -12.015 4.357) 13.279 8.400 ( -4.230 -1.674 -4.184) 6.180======================= Grid point 279 (94/344) =======================q-point: ( 0.33 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.428 ( -0.189 17.587 11.018) 20.754 1.592 ( 3.546 19.778 -2.912) 20.303 2.165 ( 6.894 2.853 -5.054) 9.011 2.422 ( 2.780 5.504 0.243) 6.170 2.736 ( 12.692 20.547 -0.652) 24.159 3.365 ( 2.876 -3.024 1.934) 4.600 5.475 ( 5.383 7.929 0.746) 9.613 6.133 ( -3.169 -4.381 -0.778) 5.462 6.309 ( -0.545 -0.076 -0.222) 0.594 6.956 ( 5.312 0.775 -7.570) 9.280 7.608 ( -6.278 -11.455 4.238) 13.733 8.275 ( -6.342 -2.178 -5.092) 8.420======================= Grid point 280 (95/344) =======================q-point: ( 0.40 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.626 ( 2.958 13.788 5.258) 15.050 1.824 ( 4.196 16.849 -3.825) 17.780 2.306 ( 6.038 5.488 -1.931) 8.385 2.501 ( 2.653 3.743 -2.168) 5.074 3.014 ( 5.016 5.478 -2.811) 7.942 3.492 ( 9.210 5.639 6.310) 12.508 5.654 ( 5.688 8.891 1.323) 10.637 6.050 ( -2.085 -2.359 -1.162) 3.356 6.311 ( -0.283 2.351 -0.744) 2.482 6.996 ( 3.022 -2.987 -5.591) 7.022 7.389 ( -9.035 -10.014 3.759) 14.002 8.145 ( -4.180 -2.302 -4.267) 6.401======================= Grid point 281 (96/344) =======================q-point: ( 0.47 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.819 ( 4.824 10.606 1.690) 11.773 2.020 ( 3.340 13.118 -4.447) 14.248 2.446 ( 3.275 7.620 0.499) 8.309 2.577 ( 3.585 2.220 -1.544) 4.491 3.057 ( -0.040 -0.850 -0.152) 0.864 3.725 ( 8.392 5.860 3.697) 10.883 5.827 ( 4.023 8.810 1.645) 9.824 6.026 ( 1.098 0.176 -1.567) 1.922 6.338 ( 0.045 3.968 -1.113) 4.121 6.968 ( -0.158 -4.490 -5.687) 7.248 7.146 ( -10.894 -7.016 3.457) 13.411 8.082 ( 0.548 -2.773 -1.985) 3.454======================= Grid point 282 (97/344) =======================q-point: ( 0.53 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.988 ( 3.849 8.237 0.061) 9.092 2.164 ( 3.074 9.386 -4.691) 10.934 2.552 ( 0.332 6.548 1.934) 6.836 2.643 ( 2.565 1.302 -0.988) 3.041 3.024 ( -3.346 0.223 0.661) 3.418 3.882 ( 5.193 1.733 2.295) 5.936 5.955 ( 1.228 7.756 1.402) 7.977 6.080 ( 4.305 2.172 -1.625) 5.089 6.376 ( 0.453 3.638 -1.120) 3.833 6.832 ( -9.158 -5.091 -2.714) 10.824 6.989 ( -3.014 -1.522 1.133) 3.561 8.085 ( 3.343 -3.770 -0.448) 5.059======================= Grid point 283 (98/344) =======================q-point: ( 0.60 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.090 ( 0.290 5.999 -0.697) 6.046 2.283 ( 3.705 6.075 -3.955) 8.141 2.579 ( -2.442 1.579 2.351) 3.740 2.680 ( 0.579 1.405 -0.340) 1.558 2.962 ( -6.132 3.968 -1.504) 7.457 3.956 ( 2.741 -1.091 2.885) 4.126 6.022 ( -2.225 6.800 0.713) 7.191 6.175 ( 4.910 0.606 -1.013) 5.050 6.419 ( 1.789 2.421 -1.032) 3.183 6.637 ( -9.234 0.022 0.032) 9.234 6.966 ( -0.111 0.338 0.113) 0.373 8.103 ( 3.603 -4.753 0.020) 5.964======================= Grid point 284 (99/344) =======================q-point: (-0.33 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.109 ( -3.100 2.921 -0.243) 4.267 2.357 ( 0.452 2.124 -1.253) 2.507 2.536 ( -3.565 0.137 1.401) 3.833 2.689 ( 0.095 -0.327 0.295) 0.450 2.896 ( -6.573 6.998 -4.564) 10.630 3.966 ( -1.094 -2.309 3.183) 4.082 6.011 ( -5.570 4.317 0.271) 7.052 6.204 ( -0.360 -3.244 0.246) 3.273 6.444 ( -2.191 1.364 -0.023) 2.580 6.607 ( 2.930 7.733 -1.193) 8.355 6.984 ( 1.588 0.489 0.841) 1.862 8.111 ( 3.167 -5.113 0.371) 6.025======================= Grid point 285 (100/344) =======================q-point: (-0.27 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.038 ( -6.429 -1.749 1.655) 6.865 2.320 ( -5.762 -0.095 2.293) 6.202 2.475 ( -5.728 2.289 -0.871) 6.230 2.672 ( -0.969 -3.166 1.184) 3.516 2.886 ( -0.094 7.700 -6.295) 9.946 3.877 ( -7.931 -3.191 2.029) 8.786 5.928 ( -7.668 1.575 0.249) 7.832 6.135 ( -3.151 -3.071 0.777) 4.468 6.410 ( -4.322 3.211 0.456) 5.403 6.784 ( 8.259 7.435 -3.966) 11.799 7.038 ( 4.531 -0.232 2.278) 5.077 8.122 ( 3.719 -4.275 1.153) 5.782======================= Grid point 286 (101/344) =======================q-point: (-0.20 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.871 ( -10.587 -5.478 3.980) 12.568 2.184 ( -11.038 -0.712 2.261) 11.290 2.388 ( -7.408 3.857 -1.891) 8.563 2.607 ( -2.967 -3.551 0.519) 4.656 2.996 ( 6.731 5.323 -3.815) 9.391 3.641 ( -16.895 -4.003 0.472) 17.369 5.794 ( -9.425 0.029 0.278) 9.429 6.075 ( -1.067 -1.542 0.518) 1.945 6.366 ( -4.322 2.672 0.210) 5.086 6.953 ( 5.776 5.027 -5.758) 9.580 7.154 ( 8.985 -0.116 3.204) 9.540 8.169 ( 5.368 -2.531 1.654) 6.161======================= Grid point 287 (102/344) =======================q-point: (-0.13 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.608 ( -15.495 -6.338 4.869) 17.435 1.959 ( -15.268 -1.485 0.692) 15.355 2.301 ( -6.347 3.214 -2.218) 7.452 2.512 ( -5.369 -2.367 0.391) 5.880 3.158 ( 7.513 1.641 -5.202) 9.284 3.257 ( -23.770 -1.851 3.726) 24.132 5.627 ( -10.140 -0.434 0.268) 10.152 6.080 ( 2.545 -0.278 -0.006) 2.560 6.327 ( -2.467 1.214 0.011) 2.750 7.037 ( 2.318 2.530 -4.351) 5.542 7.340 ( 11.644 0.486 1.993) 11.823 8.255 ( 6.434 -1.437 0.544) 6.615======================= Grid point 288 (103/344) =======================q-point: (-0.07 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.284 ( -18.624 -3.804 4.529) 19.541 1.648 ( -19.654 -3.121 -2.302) 20.033 2.229 ( -4.370 1.660 -1.957) 5.068 2.375 ( -11.629 1.298 2.743) 12.018 2.778 ( -26.254 -1.329 -2.265) 26.385 3.332 ( 7.275 2.185 1.342) 7.714 5.465 ( -9.101 0.296 0.349) 9.113 6.145 ( 5.215 -0.188 -0.415) 5.235 6.311 ( 0.037 -0.180 -0.066) 0.195 7.063 ( -0.393 2.100 -3.737) 4.305 7.548 ( 12.276 -0.263 2.116) 12.459 8.341 ( 5.725 -1.832 -2.085) 6.362======================= Grid point 293 (104/344) =======================q-point: ( 0.27 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.515 ( -0.000 18.053 10.318) 20.794 1.528 ( -0.000 20.734 3.887) 21.095 2.020 ( 0.000 -0.153 -7.286) 7.288 2.281 ( -0.000 20.047 10.399) 22.584 2.542 ( 0.000 18.445 -7.991) 20.101 3.327 ( 0.000 -5.870 -1.259) 6.004 5.370 ( 0.000 7.864 -0.066) 7.864 6.194 ( -0.000 -4.828 -0.128) 4.830 6.311 ( -0.000 -2.387 0.093) 2.389 6.844 ( 0.000 4.543 -10.326) 11.282 7.710 ( -0.000 -12.845 3.503) 13.314 8.408 ( 0.000 -2.117 -3.873) 4.414======================= Grid point 294 (105/344) =======================q-point: ( 0.33 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.674 ( -3.843 17.081 9.373) 19.859 1.732 ( 1.150 17.673 0.576) 17.720 2.058 ( 6.431 2.306 -6.618) 9.512 2.447 ( 1.453 6.485 0.854) 6.700 2.778 ( 5.806 20.947 -4.907) 22.284 3.304 ( 2.186 -1.177 4.102) 4.795 5.481 ( 3.618 8.790 0.450) 9.516 6.135 ( -1.957 -3.739 -0.279) 4.229 6.299 ( 0.754 -1.131 -0.118) 1.365 6.870 ( 2.854 0.527 -7.249) 7.809 7.575 ( -2.613 -12.467 2.942) 13.074 8.335 ( -4.508 -2.344 -4.061) 6.505======================= Grid point 295 (106/344) =======================q-point: ( 0.40 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.774 ( -2.198 12.283 3.707) 13.017 1.927 ( 2.082 16.087 0.962) 16.250 2.222 ( 9.103 6.196 -3.466) 11.544 2.505 ( 1.088 3.936 -2.777) 4.938 2.973 ( 3.998 3.777 -4.155) 6.893 3.446 ( 6.892 10.381 6.888) 14.237 5.652 ( 5.714 9.535 1.266) 11.188 6.065 ( -2.552 -1.935 -0.829) 3.308 6.317 ( 1.481 1.201 -0.738) 2.045 6.893 ( 3.373 -3.239 -5.239) 7.023 7.409 ( -4.630 -11.156 2.667) 12.370 8.206 ( -6.452 -2.178 -3.795) 7.796======================= Grid point 296 (107/344) =======================q-point: ( 0.47 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.884 ( 1.482 10.416 2.185) 10.745 2.095 ( 1.581 12.197 -1.197) 12.357 2.426 ( 7.328 7.434 -0.390) 10.445 2.562 ( 2.033 4.175 -1.594) 4.910 3.015 ( 2.872 -2.372 -1.123) 3.891 3.682 ( 6.184 9.599 3.235) 11.868 5.843 ( 5.298 9.315 2.086) 10.918 6.022 ( -0.921 0.424 -1.408) 1.735 6.360 ( 1.333 3.225 -1.673) 3.870 6.887 ( 2.428 -4.797 -4.439) 6.972 7.227 ( -6.588 -8.718 2.473) 11.203 8.081 ( -4.315 -2.284 -2.482) 5.477======================= Grid point 297 (108/344) =======================q-point: ( 0.53 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.026 ( 2.887 9.622 1.937) 10.231 2.208 ( 1.118 8.475 -2.622) 8.941 2.568 ( 3.502 2.815 0.122) 4.494 2.641 ( 1.277 5.147 1.359) 5.474 3.049 ( 2.364 1.557 -0.264) 2.843 3.829 ( 3.536 3.267 0.752) 4.873 5.990 ( 2.420 5.428 1.800) 6.210 6.055 ( 2.697 4.851 -1.034) 5.646 6.399 ( 0.231 2.727 -2.358) 3.613 6.859 ( -0.249 -2.825 -3.709) 4.669 7.054 ( -6.372 -4.594 2.305) 8.187 8.013 ( -0.093 -3.488 -0.925) 3.610======================= Grid point 298 (109/344) =======================q-point: ( 0.60 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.155 ( 0.947 8.467 1.151) 8.597 2.289 ( 1.505 5.925 -2.559) 6.627 2.611 ( 0.038 0.062 0.287) 0.296 2.676 ( 0.058 -0.695 2.217) 2.324 3.111 ( -2.425 10.082 -1.384) 10.462 3.887 ( 3.429 -2.362 0.963) 4.274 6.074 ( 2.822 3.768 0.258) 4.715 6.145 ( 1.143 4.704 0.249) 4.847 6.405 ( 0.386 -0.394 -2.044) 2.117 6.787 ( -6.599 2.293 -0.989) 7.056 6.977 ( -0.956 -0.286 0.610) 1.170 7.995 ( 2.796 -5.151 -0.165) 5.863======================= Grid point 299 (110/344) =======================q-point: (-0.33 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.209 ( -3.435 6.032 0.406) 6.954 2.357 ( 1.719 3.521 -1.839) 4.329 2.578 ( -2.352 -1.639 1.368) 3.176 2.667 ( 0.698 -2.974 0.522) 3.099 3.121 ( -8.936 12.437 -2.700) 15.551 3.920 ( 3.772 -4.166 2.174) 6.025 6.128 ( -2.957 3.621 0.391) 4.691 6.173 ( 0.929 -0.494 -0.287) 1.091 6.422 ( 3.447 -0.772 -0.823) 3.627 6.726 ( -5.772 8.133 0.121) 9.974 6.978 ( 0.023 0.535 -0.037) 0.537 7.998 ( 3.797 -5.858 0.063) 6.982======================= Grid point 300 (111/344) =======================q-point: (-0.27 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.154 ( -7.381 1.377 0.699) 7.541 2.385 ( -1.260 1.246 -0.413) 1.819 2.542 ( -1.490 0.601 -0.034) 1.607 2.648 ( 0.424 -3.240 0.885) 3.385 3.050 ( -10.139 9.217 -3.008) 14.029 3.925 ( -0.478 -3.165 1.844) 3.694 6.058 ( -6.426 0.426 0.421) 6.453 6.159 ( -2.031 -1.327 0.063) 2.427 6.477 ( 1.327 1.648 -0.259) 2.132 6.764 ( 0.783 8.935 -1.369) 9.073 6.985 ( 1.495 -1.191 0.760) 2.057 8.013 ( 4.270 -4.787 0.298) 6.421======================= Grid point 301 (112/344) =======================q-point: (-0.20 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.010 ( -9.678 -1.810 1.517) 9.962 2.327 ( -6.331 -0.276 -0.405) 6.350 2.521 ( -3.867 3.246 -1.115) 5.171 2.614 ( -1.594 -3.506 1.951) 4.318 2.993 ( -2.549 5.024 -2.176) 6.039 3.832 ( -8.678 -1.992 0.795) 8.939 5.943 ( -7.878 -0.037 0.731) 7.912 6.097 ( -3.137 -1.097 -0.164) 3.327 6.467 ( -4.183 1.792 -0.370) 4.566 6.894 ( 5.663 6.373 -4.046) 9.437 7.026 ( 5.559 -2.758 2.837) 6.823 8.056 ( 5.219 -2.568 0.240) 5.821======================= Grid point 302 (113/344) =======================q-point: (-0.13 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.812 ( -12.582 -2.011 1.590) 12.840 2.166 ( -11.570 -1.377 -1.987) 11.819 2.443 ( -7.815 1.479 -0.509) 7.970 2.560 ( -2.414 -0.720 0.747) 2.627 3.053 ( 5.206 1.557 -0.978) 5.521 3.606 ( -17.207 0.171 1.590) 17.281 5.797 ( -9.866 -0.034 0.905) 9.907 6.056 ( -0.459 -0.336 -0.697) 0.899 6.393 ( -4.700 -0.212 -0.581) 4.741 7.007 ( 3.391 3.399 -3.370) 5.866 7.150 ( 10.984 -2.160 2.538) 11.478 8.134 ( 6.053 -1.040 -0.992) 6.222======================= Grid point 303 (114/344) =======================q-point: (-0.07 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.569 ( -15.954 0.772 0.616) 15.984 1.908 ( -16.268 -2.406 -4.627) 17.084 2.323 ( -6.334 -0.381 0.143) 6.347 2.513 ( -4.500 2.159 0.252) 4.998 3.093 ( -5.529 -1.496 -5.986) 8.285 3.358 ( -11.166 5.072 8.537) 14.943 5.633 ( -10.055 0.621 0.882) 10.112 6.071 ( 2.691 -0.315 -0.988) 2.884 6.322 ( -2.381 -1.453 -0.472) 2.830 7.066 ( 1.722 2.092 -1.564) 3.129 7.335 ( 12.560 -2.323 1.767) 12.895 8.217 ( 5.743 -1.235 -3.463) 6.819======================= Grid point 309 (115/344) =======================q-point: ( 0.33 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.893 ( -0.000 15.828 7.079) 17.339 1.895 ( 0.000 15.878 -0.275) 15.880 1.977 ( 0.000 0.101 -7.129) 7.130 2.487 ( 0.000 4.072 -3.260) 5.217 2.883 ( 0.000 11.318 -4.717) 12.261 3.333 ( -0.000 9.056 8.223) 12.232 5.535 ( 0.000 8.951 0.365) 8.959 6.123 ( -0.000 -2.200 -0.087) 2.202 6.277 ( 0.000 -0.980 -0.160) 0.993 6.826 ( 0.000 -1.290 -5.562) 5.709 7.483 ( -0.000 -12.289 1.744) 12.412 8.340 ( 0.000 -2.449 -3.557) 4.319======================= Grid point 310 (116/344) =======================q-point: ( 0.40 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.908 ( -2.994 5.791 -4.103) 7.703 2.055 ( 0.815 11.954 4.030) 12.641 2.131 ( 8.598 9.987 -3.019) 13.520 2.508 ( 0.904 2.342 -5.236) 5.806 2.936 ( 1.272 -0.480 -0.272) 1.386 3.518 ( 2.919 16.874 6.936) 18.476 5.658 ( 4.243 8.861 0.776) 9.855 6.091 ( -2.040 -0.432 -0.658) 2.187 6.290 ( 1.970 0.548 -0.428) 2.090 6.804 ( 1.623 -3.754 -3.773) 5.564 7.358 ( -1.804 -11.179 0.996) 11.367 8.270 ( -4.359 -2.106 -3.127) 5.762======================= Grid point 311 (117/344) =======================q-point: ( 0.47 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.944 ( 1.522 6.272 -1.906) 6.730 2.169 ( 1.568 7.351 -1.008) 7.584 2.377 ( 8.359 10.455 0.872) 13.414 2.549 ( 3.026 3.216 -3.854) 5.861 2.935 ( 1.824 -4.468 2.007) 5.227 3.734 ( 2.409 13.809 3.322) 14.406 5.838 ( 6.372 8.506 1.503) 10.734 6.054 ( -2.217 1.460 -1.333) 2.970 6.344 ( 2.875 2.154 -1.311) 3.824 6.784 ( 2.491 -5.261 -2.472) 6.324 7.221 ( -3.029 -9.297 0.701) 9.803 8.152 ( -6.352 -1.510 -2.324) 6.931======================= Grid point 312 (118/344) =======================q-point: ( 0.53 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.058 ( 4.089 7.389 0.387) 8.454 2.251 ( 1.781 5.147 -2.061) 5.823 2.540 ( 2.843 3.397 1.279) 4.611 2.665 ( 3.469 6.304 -0.120) 7.197 2.963 ( 6.926 -1.796 1.290) 7.270 3.856 ( -0.687 7.118 0.291) 7.157 6.005 ( 2.916 5.314 1.755) 6.310 6.061 ( 1.710 4.887 -1.189) 5.312 6.399 ( 1.431 1.667 -2.544) 3.361 6.786 ( 3.997 -3.334 -1.531) 5.425 7.090 ( -3.679 -6.424 0.793) 7.445 8.032 ( -5.285 -1.615 -1.241) 5.663======================= Grid point 313 (119/344) =======================q-point: ( 0.60 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.200 ( 3.650 7.377 0.809) 8.271 2.318 ( 1.309 4.649 -1.182) 4.972 2.595 ( 1.630 0.665 0.415) 1.809 2.687 ( -2.289 -2.218 2.123) 3.830 3.157 ( 9.310 9.021 0.135) 12.965 3.855 ( -2.670 -0.353 -0.901) 2.840 6.066 ( 1.623 3.685 -0.416) 4.048 6.167 ( 2.664 4.676 1.293) 5.535 6.392 ( -1.070 -1.742 -2.627) 3.328 6.844 ( 3.001 2.440 -1.279) 4.074 6.994 ( -2.333 -2.660 1.092) 3.703 7.944 ( -2.259 -3.062 -0.425) 3.829======================= Grid point 314 (120/344) =======================q-point: ( 0.67 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.307 ( 0.700 6.169 -0.047) 6.209 2.373 ( -0.063 4.440 0.025) 4.440 2.598 ( -2.593 -3.035 0.827) 4.076 2.622 ( 0.819 -3.366 0.592) 3.514 3.355 ( -1.511 14.503 -0.907) 14.610 3.798 ( 2.416 -7.316 0.273) 7.709 6.134 ( 2.431 2.798 -0.459) 3.735 6.219 ( -1.847 2.539 0.889) 3.263 6.350 ( 1.599 -3.437 -1.277) 4.000 6.880 ( -3.111 5.935 -0.064) 6.701 6.980 ( 0.671 0.240 0.001) 0.713 7.899 ( 1.227 -4.371 -0.081) 4.541======================= Grid point 315 (121/344) =======================q-point: (-0.27 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.304 ( -7.237 2.901 0.314) 7.803 2.400 ( 0.183 1.475 -0.434) 1.549 2.548 ( 0.769 -1.767 0.815) 2.093 2.613 ( 0.333 -1.835 0.120) 1.869 3.329 ( -13.028 8.423 -1.153) 15.556 3.836 ( 7.208 -4.513 0.733) 8.535 6.154 ( -4.456 -0.552 -0.016) 4.490 6.177 ( -1.274 1.122 0.187) 1.708 6.403 ( 6.229 -0.507 -0.673) 6.286 6.887 ( -3.437 7.094 0.430) 7.895 6.969 ( -1.250 -1.873 -0.414) 2.290 7.904 ( 3.763 -3.126 -0.000) 4.892======================= Grid point 316 (122/344) =======================q-point: (-0.20 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.165 ( -9.655 -0.533 0.538) 9.685 2.389 ( -2.262 -0.335 -1.620) 2.802 2.572 ( 0.579 2.102 0.964) 2.384 2.601 ( -0.036 -1.828 1.117) 2.142 3.153 ( -11.755 1.459 0.031) 11.845 3.885 ( 0.561 -0.915 -0.396) 1.144 6.057 ( -6.155 -0.137 0.450) 6.173 6.148 ( -3.100 -0.059 -0.093) 3.102 6.488 ( 2.872 -0.090 -1.421) 3.206 6.892 ( -0.895 1.951 -0.870) 2.316 6.944 ( 1.697 -1.571 1.055) 2.542 7.959 ( 4.635 -0.208 -0.207) 4.644======================= Grid point 317 (123/344) =======================q-point: (-0.13 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.995 ( -10.402 -0.096 -0.035) 10.403 2.299 ( -6.958 -1.363 -3.167) 7.765 2.554 ( -4.731 -2.247 1.760) 5.525 2.596 ( -0.994 2.897 0.427) 3.093 3.029 ( -2.315 -1.269 1.697) 3.138 3.822 ( -7.839 0.921 -0.279) 7.898 5.945 ( -7.733 -0.225 0.994) 7.800 6.089 ( -3.413 0.611 -1.025) 3.616 6.457 ( -3.972 -2.105 -1.484) 4.734 6.951 ( 8.853 -2.756 -0.406) 9.281 6.981 ( 2.536 0.500 0.561) 2.645 8.044 ( 4.611 1.704 -1.088) 5.035======================= Grid point 318 (124/344) =======================q-point: (-0.07 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.818 ( -12.124 2.571 -1.658) 12.504 2.112 ( -12.297 -1.764 -5.335) 13.520 2.425 ( -7.185 -2.673 1.876) 7.892 2.596 ( -2.632 3.255 -0.718) 4.247 3.046 ( 3.713 -2.018 1.596) 4.517 3.663 ( -13.400 3.907 2.844) 14.244 5.801 ( -9.287 -0.221 1.083) 9.352 6.056 ( -1.054 1.010 -1.596) 2.163 6.356 ( -4.051 -2.562 -0.855) 4.869 7.033 ( 3.411 -0.551 1.180) 3.651 7.100 ( 12.044 -3.357 -0.976) 12.541 8.127 ( 3.913 1.614 -2.788) 5.069======================= Grid point 325 (125/344) =======================q-point: ( 0.40 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.943 ( 0.000 0.446 -5.881) 5.898 2.097 ( 0.000 6.677 -8.116) 10.510 2.197 ( -0.000 12.295 4.462) 13.080 2.503 ( 0.000 2.113 -4.163) 4.669 2.919 ( -0.000 -2.766 4.247) 5.068 3.688 ( -0.000 18.232 5.594) 19.070 5.699 ( 0.000 7.459 0.521) 7.477 6.113 ( 0.000 1.411 -1.121) 1.802 6.278 ( 0.000 1.237 -0.264) 1.265 6.743 ( 0.000 -4.737 -1.885) 5.098 7.270 ( -0.000 -10.153 -0.247) 10.156 8.280 ( 0.000 -1.882 -2.540) 3.162======================= Grid point 326 (126/344) =======================q-point: ( 0.47 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.945 ( 1.724 2.269 -3.873) 4.808 2.147 ( 3.976 1.335 -8.551) 9.524 2.364 ( 5.774 10.666 2.336) 12.352 2.529 ( 1.037 2.979 -1.527) 3.504 2.897 ( -0.460 -4.086 5.294) 6.704 3.867 ( 0.055 14.716 3.259) 15.073 5.811 ( 5.208 6.288 0.670) 8.192 6.109 ( -2.128 2.898 -1.751) 3.999 6.315 ( 2.328 2.247 -0.553) 3.282 6.699 ( 1.048 -5.583 -0.346) 5.691 7.168 ( -1.182 -8.374 -0.835) 8.498 8.223 ( -4.012 -1.255 -1.866) 4.599======================= Grid point 327 (127/344) =======================q-point: ( 0.53 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.033 ( 5.381 4.566 -0.685) 7.091 2.208 ( 5.210 0.080 -5.605) 7.653 2.550 ( 1.598 4.533 2.005) 5.208 2.619 ( 8.894 6.672 -1.948) 11.288 2.865 ( 0.830 -4.753 4.906) 6.881 3.970 ( -2.523 9.120 0.714) 9.490 5.978 ( 6.981 5.063 1.073) 8.690 6.101 ( -1.756 4.045 -1.851) 4.782 6.377 ( 2.276 1.892 -1.451) 3.296 6.679 ( 3.294 -4.950 0.598) 5.976 7.071 ( -1.721 -5.926 -0.770) 6.219 8.122 ( -6.265 -0.604 -1.095) 6.389======================= Grid point 328 (128/344) =======================q-point: ( 0.60 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.181 ( 5.799 5.136 0.574) 7.767 2.289 ( 5.413 0.913 -2.474) 6.021 2.589 ( 0.455 1.285 0.890) 1.628 2.720 ( -2.558 -0.834 0.904) 2.838 2.994 ( 15.393 3.042 1.712) 15.784 3.956 ( -6.401 3.559 -0.905) 7.380 6.088 ( 0.676 4.003 -0.310) 4.071 6.150 ( 3.695 2.945 0.332) 4.737 6.393 ( -0.914 -0.432 -1.742) 2.015 6.744 ( 8.132 -1.226 0.376) 8.233 7.000 ( -1.458 -2.839 -0.186) 3.197 8.005 ( -6.531 -0.688 -0.464) 6.584======================= Grid point 329 (129/344) =======================q-point: ( 0.67 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.302 ( 3.887 2.798 -0.113) 4.791 2.389 ( 4.622 2.931 -0.261) 5.480 2.598 ( -0.617 -1.372 0.590) 1.616 2.629 ( -4.609 -2.504 0.426) 5.262 3.315 ( 16.586 5.123 0.760) 17.376 3.827 ( -9.972 -0.966 -0.953) 10.064 6.134 ( 0.954 3.195 -0.442) 3.363 6.223 ( 3.361 0.228 0.819) 3.467 6.339 ( -3.559 -1.344 -0.897) 3.909 6.890 ( 7.379 1.757 -0.558) 7.606 6.968 ( -0.582 -0.595 0.566) 1.006 7.899 ( -4.570 -1.230 -0.119) 4.734======================= Grid point 330 (130/344) =======================q-point: (-0.27 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.365 ( 1.726 0.741 0.001) 1.879 2.477 ( -7.084 -3.411 0.015) 7.863 2.484 ( 3.742 1.961 -0.018) 4.225 2.607 ( -0.115 -0.072 0.002) 0.136 3.612 ( -13.768 0.411 0.053) 13.775 3.615 ( 14.501 -0.081 -0.053) 14.502 6.166 ( 0.724 0.352 0.037) 0.806 6.255 ( -4.531 -1.339 -0.128) 4.726 6.298 ( 4.831 1.412 0.093) 5.034 6.947 ( -0.917 -0.153 -0.008) 0.930 6.984 ( 0.862 0.166 0.007) 0.878 7.852 ( 0.114 0.050 -0.000) 0.124======================= Grid point 331 (131/344) =======================q-point: (-0.20 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.300 ( -7.520 -3.410 -0.019) 8.258 2.399 ( -0.075 -0.621 -0.632) 0.889 2.549 ( 1.956 0.693 0.925) 2.272 2.612 ( 0.116 1.800 0.050) 1.804 3.350 ( -12.665 -6.757 1.066) 14.394 3.819 ( 6.815 3.327 -1.116) 7.666 6.152 ( -4.371 0.433 -0.257) 4.399 6.181 ( -1.470 -1.082 0.661) 1.941 6.401 ( 5.760 0.977 -0.879) 5.908 6.882 ( -2.858 -6.890 -0.085) 7.460 6.975 ( -1.651 1.714 0.262) 2.394 7.903 ( 3.614 3.084 -0.108) 4.752======================= Grid point 332 (132/344) =======================q-point: (-0.13 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.144 ( -7.969 -1.615 -0.309) 8.137 2.363 ( -3.398 -0.692 -2.489) 4.268 2.568 ( 0.368 -1.971 2.475) 3.185 2.642 ( -0.231 3.331 0.151) 3.343 3.098 ( -8.883 -7.153 2.165) 11.608 3.895 ( -0.229 2.180 -1.431) 2.618 6.059 ( -6.253 -0.554 0.536) 6.300 6.153 ( -2.711 0.971 -0.557) 2.933 6.462 ( 0.632 -1.255 -1.747) 2.242 6.788 ( 2.922 -8.467 1.037) 9.017 6.974 ( 0.101 0.908 -0.445) 1.016 8.005 ( 3.731 4.709 -0.484) 6.027======================= Grid point 333 (133/344) =======================q-point: (-0.07 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.005 ( -8.433 1.442 -1.766) 8.736 2.251 ( -8.096 -0.719 -4.911) 9.496 2.511 ( -5.304 -3.319 2.538) 6.752 2.657 ( -1.313 2.764 -0.696) 3.138 2.981 ( 0.819 -4.599 4.120) 6.228 3.858 ( -6.051 2.598 0.143) 6.586 5.934 ( -7.484 -1.924 0.862) 7.775 6.112 ( -3.661 2.752 -1.727) 4.894 6.396 ( -3.967 -2.595 -1.036) 4.853 6.840 ( 10.588 -7.731 1.903) 13.247 6.996 ( 2.348 0.436 -1.976) 3.100 8.100 ( 2.487 4.366 -1.224) 5.171======================= Grid point 341 (134/344) =======================q-point: ( 0.47 0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.927 ( 0.000 0.727 -3.394) 3.471 2.075 ( 0.000 -0.922 -10.027) 10.069 2.409 ( -0.000 7.702 2.142) 7.994 2.555 ( -0.000 3.494 0.437) 3.521 2.882 ( -0.000 -3.867 5.241) 6.513 4.008 ( -0.000 12.066 2.197) 12.264 5.814 ( 0.000 4.133 0.303) 4.145 6.158 ( 0.000 4.137 -2.353) 4.759 6.317 ( 0.000 2.632 -0.141) 2.636 6.638 ( -0.000 -5.778 1.239) 5.909 7.102 ( 0.000 -6.502 -1.537) 6.682 8.241 ( 0.000 -0.955 -1.323) 1.631======================= Grid point 342 (135/344) =======================q-point: ( 0.53 0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.975 ( 5.217 2.360 -0.574) 5.755 2.082 ( 4.795 -1.514 -6.708) 8.384 2.529 ( 6.364 5.414 0.782) 8.392 2.586 ( 0.029 2.360 0.637) 2.445 2.849 ( -1.145 -3.733 4.085) 5.651 4.093 ( -1.901 7.552 0.448) 7.800 5.900 ( 6.065 2.788 0.250) 6.680 6.172 ( -2.215 4.420 -1.998) 5.332 6.359 ( 1.836 2.286 -0.406) 2.961 6.596 ( 1.160 -5.384 1.667) 5.755 7.039 ( -0.764 -4.084 -1.381) 4.379 8.200 ( -3.673 -0.402 -0.750) 3.770======================= Grid point 343 (136/344) =======================q-point: ( 0.60 0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.124 ( 6.793 4.560 2.217) 8.477 2.154 ( 7.919 -2.001 -3.819) 9.017 2.601 ( -0.206 0.834 0.561) 1.026 2.717 ( 8.029 3.524 -1.764) 8.944 2.811 ( 2.603 -3.674 3.977) 6.007 4.086 ( -4.970 3.099 -0.876) 5.923 6.043 ( 7.499 1.476 0.147) 7.644 6.167 ( -1.985 3.101 -0.845) 3.778 6.398 ( 0.472 1.009 -0.432) 1.194 6.605 ( 5.321 -3.057 0.924) 6.206 6.995 ( -0.861 -1.512 -0.662) 1.861 8.113 ( -6.230 -0.002 -0.284) 6.237======================= Grid point 344 (137/344) =======================q-point: (-0.33 -0.53 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.235 ( 5.873 -0.822 -0.703) 5.972 2.298 ( 7.060 1.914 0.993) 7.382 2.599 ( -0.284 -0.542 -0.022) 0.612 2.696 ( -4.590 -0.795 -0.521) 4.688 3.034 ( 18.109 -0.587 1.136) 18.154 3.988 ( -8.257 0.447 -0.849) 8.313 6.149 ( 4.100 0.679 -0.506) 4.187 6.159 ( -0.452 -0.687 0.317) 0.881 6.391 ( -2.119 0.988 0.498) 2.391 6.730 ( 10.591 -0.284 -0.055) 10.595 6.977 ( -0.673 0.137 0.011) 0.687 7.999 ( -7.131 0.170 -0.010) 7.133======================= Grid point 345 (138/344) =======================q-point: (-0.27 -0.53 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.306 ( 4.636 -3.094 0.226) 5.578 2.390 ( 3.310 -2.159 0.059) 3.952 2.582 ( -1.619 1.022 -1.224) 2.272 2.620 ( -3.165 0.722 -0.471) 3.280 3.310 ( 16.322 -5.728 0.146) 17.298 3.840 ( -9.590 2.176 0.444) 9.844 6.144 ( 0.855 -2.868 0.634) 3.059 6.202 ( 2.853 -1.218 -1.409) 3.407 6.365 ( -3.280 3.318 1.812) 5.005 6.896 ( 8.398 -0.839 0.031) 8.440 6.961 ( -1.541 -0.367 -0.111) 1.588 7.902 ( -4.638 1.483 0.138) 4.871======================= Grid point 346 (139/344) =======================q-point: (-0.20 -0.53 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.303 ( 0.369 -7.818 -0.326) 7.834 2.382 ( 0.455 -1.987 0.977) 2.261 2.574 ( -2.345 3.480 -1.684) 4.522 2.615 ( 1.489 1.328 -0.232) 2.009 3.362 ( 0.224 -13.887 -0.190) 13.890 3.802 ( 0.314 7.034 0.681) 7.074 6.144 ( 2.304 -2.907 0.577) 3.754 6.199 ( -0.607 -2.506 -1.222) 2.854 6.377 ( -0.252 4.456 1.670) 4.765 6.882 ( -4.201 -5.673 0.055) 7.059 6.978 ( 1.797 -0.536 -0.173) 1.883 7.901 ( 1.037 4.478 0.140) 4.598======================= Grid point 347 (140/344) =======================q-point: (-0.13 0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.205 ( -3.180 -5.621 -0.068) 6.458 2.381 ( 0.251 -1.434 0.557) 1.559 2.558 ( -0.983 0.183 -0.518) 1.126 2.662 ( 1.249 2.466 -0.076) 2.765 3.153 ( -7.471 -12.154 0.686) 14.283 3.894 ( 2.493 3.697 -0.565) 4.495 6.124 ( -2.686 -4.213 -0.062) 4.997 6.176 ( 0.711 0.923 0.050) 1.167 6.431 ( 1.911 1.962 0.191) 2.746 6.724 ( -5.127 -8.369 -0.031) 9.814 6.978 ( -0.332 -0.713 0.010) 0.787 7.997 ( 3.523 5.931 -0.018) 6.898======================= Grid point 348 (141/344) =======================q-point: (-0.07 0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.105 ( -4.248 -2.032 -0.677) 4.758 2.344 ( -4.153 0.212 -2.579) 4.894 2.539 ( -1.080 -2.549 1.706) 3.251 2.685 ( -0.398 0.750 -0.226) 0.878 2.958 ( -3.401 -7.140 2.050) 8.170 3.932 ( -0.861 1.819 -0.340) 2.040 6.012 ( -5.218 -4.704 0.343) 7.033 6.193 ( -1.686 3.674 -0.887) 4.138 6.436 ( -3.119 -0.486 -0.821) 3.262 6.628 ( 4.807 -8.310 0.949) 9.647 6.970 ( 0.392 -0.402 -0.571) 0.801 8.105 ( 2.623 5.286 -0.262) 5.907======================= Grid point 357 (142/344) =======================q-point: ( 0.53 0.53 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.932 ( 0.000 0.929 -0.420) 1.020 2.029 ( 0.000 1.042 -1.838) 2.113 2.513 ( 0.000 2.299 0.217) 2.309 2.607 ( -0.000 1.149 0.629) 1.310 2.838 ( -0.000 -2.857 2.267) 3.647 4.165 ( 0.000 3.774 -0.720) 3.842 5.864 ( 0.000 1.169 0.036) 1.169 6.232 ( 0.000 4.187 -1.272) 4.376 6.359 ( 0.000 1.355 -0.040) 1.356 6.543 ( -0.000 -4.457 1.268) 4.634 7.014 ( 0.000 -1.673 -1.078) 1.990 8.226 ( 0.000 -0.128 -0.367) 0.388======================= Grid point 358 (143/344) =======================q-point: (-0.40 -0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.001 ( 6.461 -0.169 -0.247) 6.468 2.085 ( 3.952 4.019 3.410) 6.588 2.577 ( 6.624 -0.403 -0.807) 6.685 2.611 ( 0.130 -0.230 0.580) 0.637 2.806 ( -1.476 -2.053 0.543) 2.586 4.158 ( -2.303 -0.367 -1.821) 2.958 5.925 ( 6.276 -0.128 -0.135) 6.279 6.232 ( -2.757 1.351 0.386) 3.094 6.387 ( 1.770 0.355 0.211) 1.817 6.527 ( 1.706 -1.234 -0.113) 2.108 7.002 ( -0.643 0.655 -0.389) 0.997 8.196 ( -3.545 0.242 -0.059) 3.554======================= Grid point 359 (144/344) =======================q-point: (-0.33 -0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.099 ( 6.795 -2.269 -0.592) 7.188 2.232 ( 5.608 3.983 4.733) 8.349 2.591 ( -0.113 -1.940 -0.693) 2.064 2.744 ( 8.699 1.241 -2.412) 9.112 2.756 ( 2.451 -3.937 1.801) 4.975 4.078 ( -4.306 -3.186 -1.802) 5.651 6.035 ( 7.157 -2.156 -0.735) 7.511 6.185 ( -2.375 -1.682 1.074) 3.102 6.412 ( 0.994 0.084 1.176) 1.542 6.592 ( 5.723 2.300 -0.437) 6.184 7.002 ( -1.083 2.210 0.042) 2.461 8.117 ( -6.262 0.471 0.127) 6.281======================= Grid point 360 (145/344) =======================q-point: (-0.27 -0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.171 ( 5.745 -4.899 -0.540) 7.569 2.334 ( 3.013 -0.332 2.545) 3.958 2.571 ( 0.655 -1.834 -1.232) 2.305 2.691 ( -3.466 0.538 -2.067) 4.071 2.988 ( 16.264 -3.898 1.045) 16.757 3.960 ( -5.154 -3.260 -0.469) 6.116 6.082 ( 2.572 -4.621 -0.972) 5.378 6.150 ( 0.960 -2.631 0.403) 2.830 6.432 ( -0.330 1.683 2.519) 3.047 6.743 ( 8.814 2.017 0.235) 9.045 7.000 ( -2.125 2.403 -0.250) 3.218 8.013 ( -6.621 1.187 0.292) 6.733======================= Grid point 361 (146/344) =======================q-point: (-0.20 -0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.181 ( 3.638 -8.414 -1.169) 9.241 2.350 ( 0.982 -3.340 2.320) 4.184 2.586 ( 2.521 -0.049 -0.598) 2.591 2.641 ( -2.802 1.290 -2.909) 4.240 3.155 ( 9.171 -8.668 -0.098) 12.620 3.872 ( -2.431 -0.233 0.950) 2.620 6.067 ( 2.174 -4.594 -0.381) 5.097 6.150 ( 2.071 -3.722 -0.501) 4.289 6.445 ( -1.389 2.148 3.092) 4.013 6.870 ( 3.302 -1.047 1.460) 3.760 6.970 ( -2.790 1.788 -1.586) 3.674 7.953 ( -2.548 3.456 0.476) 4.320======================= Grid point 362 (147/344) =======================q-point: (-0.13 -0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.143 ( 2.177 -8.121 -0.118) 8.408 2.339 ( 1.516 -4.188 2.917) 5.324 2.590 ( -2.033 -0.384 -2.241) 3.050 2.646 ( 2.583 1.282 -0.877) 3.014 3.113 ( -1.610 -10.550 -1.150) 10.734 3.885 ( 2.082 1.173 0.750) 2.504 6.065 ( 2.530 -5.311 -0.709) 5.925 6.148 ( 2.088 -2.627 0.503) 3.393 6.445 ( -0.838 0.007 2.240) 2.392 6.794 ( -8.440 -1.382 -0.330) 8.559 6.971 ( 0.452 0.127 0.037) 0.471 8.001 ( 2.402 5.359 0.444) 5.889======================= Grid point 373 (148/344) =======================q-point: (-0.40 -0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.956 ( -0.000 0.979 2.217) 2.423 2.110 ( -0.000 5.424 6.962) 8.825 2.498 ( 0.000 -3.447 -1.375) 3.711 2.603 ( -0.000 -1.687 0.205) 1.699 2.804 ( 0.000 -0.884 -1.488) 1.731 4.144 ( 0.000 -4.781 -2.997) 5.643 5.862 ( -0.000 -1.323 -0.148) 1.331 6.262 ( -0.000 -2.404 1.933) 3.084 6.359 ( -0.000 -1.293 -0.006) 1.293 6.523 ( 0.000 3.462 -0.943) 3.588 7.024 ( 0.000 2.876 0.052) 2.876 8.231 ( -0.000 0.676 0.101) 0.683======================= Grid point 374 (149/344) =======================q-point: (-0.33 -0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.001 ( 3.296 -0.249 2.194) 3.967 2.217 ( 3.061 4.376 7.841) 9.486 2.506 ( 6.253 -6.148 -1.811) 8.954 2.591 ( 1.704 -1.723 1.543) 2.873 2.782 ( -1.367 0.556 -3.322) 3.635 4.058 ( -1.159 -8.395 -3.301) 9.095 5.893 ( 5.672 -3.085 -0.476) 6.475 6.204 ( -2.558 -4.194 1.459) 5.125 6.367 ( 2.513 -2.276 0.357) 3.409 6.584 ( 1.461 6.483 0.401) 6.657 7.053 ( -0.986 4.574 0.143) 4.682 8.209 ( -3.694 1.053 0.171) 3.844======================= Grid point 375 (150/344) =======================q-point: (-0.27 -0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.049 ( 3.461 -3.525 0.767) 4.999 2.291 ( 2.203 -1.742 3.635) 4.593 2.511 ( 2.891 -5.723 -2.346) 6.828 2.672 ( 5.426 -5.144 3.312) 8.177 2.792 ( 3.997 5.536 -2.361) 7.225 3.942 ( -0.874 -9.808 -2.278) 10.107 5.954 ( 6.042 -5.566 -1.434) 8.339 6.129 ( -1.781 -4.067 1.183) 4.595 6.402 ( 3.751 -1.935 1.144) 4.373 6.692 ( 3.307 6.978 2.169) 8.020 7.075 ( -2.337 5.417 -0.424) 5.915 8.135 ( -6.292 1.429 0.315) 6.460======================= Grid point 376 (151/344) =======================q-point: (-0.20 -0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.040 ( 2.663 -8.266 -1.582) 8.828 2.293 ( 1.773 -5.810 2.669) 6.635 2.521 ( 4.080 -2.850 -0.771) 5.036 2.651 ( -0.356 -3.988 -1.786) 4.384 2.961 ( 8.145 1.639 1.072) 8.377 3.847 ( 0.987 -8.419 -0.777) 8.512 5.969 ( 3.718 -6.553 -2.032) 7.803 6.084 ( 0.528 -3.738 1.202) 3.962 6.444 ( 2.513 -2.343 2.180) 4.069 6.828 ( 4.065 5.813 3.189) 7.778 7.067 ( -4.690 5.146 -1.813) 7.195 8.051 ( -5.466 2.585 0.769) 6.095======================= Grid point 377 (152/344) =======================q-point: (-0.13 -0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.999 ( 4.137 -9.582 -0.871) 10.473 2.268 ( 1.962 -7.370 3.733) 8.491 2.564 ( 2.616 -4.029 -0.513) 4.831 2.608 ( 1.224 -1.410 -1.977) 2.719 3.041 ( 1.325 -1.967 -1.121) 2.623 3.821 ( 4.095 -5.545 -0.104) 6.894 5.957 ( 3.359 -6.659 -1.642) 7.637 6.078 ( 2.238 -3.108 1.375) 4.069 6.441 ( 0.079 -4.023 2.106) 4.541 6.927 ( -1.399 5.391 3.709) 6.692 7.004 ( -5.749 3.186 -3.219) 7.318 8.033 ( -0.764 4.286 1.249) 4.529======================= Grid point 389 (153/344) =======================q-point: (-0.33 -0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.991 ( -0.000 0.725 3.461) 3.536 2.252 ( -0.000 1.150 8.252) 8.332 2.368 ( 0.000 -8.895 -2.355) 9.201 2.572 ( -0.000 -0.736 3.296) 3.377 2.792 ( 0.000 2.081 -4.618) 5.065 3.949 ( 0.000 -13.292 -4.240) 13.951 5.808 ( -0.000 -4.319 -0.292) 4.329 6.187 ( -0.000 -4.888 0.711) 4.940 6.319 ( -0.000 -2.500 0.078) 2.501 6.646 ( -0.000 7.767 2.125) 8.053 7.116 ( 0.000 6.427 0.011) 6.427 8.254 ( 0.000 1.780 0.069) 1.781======================= Grid point 390 (154/344) =======================q-point: (-0.27 -0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.002 ( -0.160 -1.854 1.743) 2.550 2.237 ( 0.681 -6.907 1.518) 7.104 2.336 ( 6.302 -9.647 -1.042) 11.571 2.602 ( 1.526 -0.732 6.256) 6.481 2.819 ( 0.628 6.789 -2.688) 7.329 3.800 ( 1.226 -16.272 -3.950) 16.790 5.798 ( 4.547 -6.437 -0.652) 7.908 6.128 ( -1.845 -3.516 0.287) 3.981 6.322 ( 2.852 -2.203 0.160) 3.607 6.740 ( 1.240 7.634 4.064) 8.737 7.171 ( -1.599 7.647 -0.605) 7.836 8.241 ( -3.925 2.306 0.038) 4.552======================= Grid point 391 (155/344) =======================q-point: (-0.20 -0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.937 ( -0.860 -8.825 -2.753) 9.284 2.186 ( 2.743 -10.090 1.225) 10.527 2.371 ( 7.580 -6.754 0.132) 10.154 2.603 ( 0.249 -4.096 1.530) 4.380 2.934 ( 2.981 8.589 2.275) 9.372 3.675 ( 4.295 -16.314 -3.064) 17.146 5.810 ( 5.377 -8.353 -1.426) 10.036 6.073 ( -1.603 -1.791 0.680) 2.498 6.362 ( 3.918 -2.418 0.646) 4.649 6.854 ( 2.382 6.904 5.158) 8.942 7.199 ( -3.924 8.094 -1.845) 9.183 8.179 ( -6.117 2.910 0.566) 6.798======================= Grid point 392 (156/344) =======================q-point: (-0.13 -0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.832 ( 2.760 -12.016 -2.810) 12.645 2.143 ( 3.639 -11.403 3.167) 12.382 2.437 ( 6.160 -5.929 0.705) 8.579 2.567 ( 0.598 -3.066 -0.681) 3.197 3.041 ( 0.584 4.662 1.551) 4.948 3.626 ( 8.059 -13.269 -2.761) 15.768 5.808 ( 4.962 -8.718 -1.644) 10.165 6.048 ( -0.372 -0.641 1.238) 1.443 6.386 ( 1.874 -4.006 1.102) 4.558 6.971 ( 2.244 5.519 4.634) 7.547 7.176 ( -7.376 7.940 -3.126) 11.279 8.121 ( -4.457 3.904 1.822) 6.199======================= Grid point 405 (157/344) =======================q-point: (-0.27 -0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.997 ( 0.000 -3.373 -1.611) 3.737 2.157 ( 0.000 -11.677 -1.337) 11.753 2.158 ( -0.000 -9.999 1.787) 10.158 2.596 ( -0.000 -2.762 4.581) 5.349 2.889 ( -0.000 9.788 2.061) 10.002 3.592 ( 0.000 -20.900 -4.721) 21.426 5.693 ( -0.000 -7.440 -0.185) 7.442 6.117 ( 0.000 -1.915 -0.551) 1.992 6.281 ( -0.000 -1.230 0.054) 1.231 6.812 ( -0.000 6.648 5.612) 8.700 7.264 ( 0.000 9.164 -0.985) 9.217 8.300 ( 0.000 3.085 -0.374) 3.108======================= Grid point 406 (158/344) =======================q-point: (-0.20 -0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.866 ( -3.642 -12.716 -7.082) 15.004 2.030 ( 2.066 -13.445 -0.666) 13.619 2.186 ( 7.235 -4.972 3.506) 9.453 2.564 ( 0.048 -5.386 1.230) 5.525 3.007 ( 0.771 9.180 6.743) 11.417 3.401 ( 4.159 -21.665 -5.407) 22.713 5.647 ( 3.546 -8.683 -0.362) 9.386 6.094 ( -1.412 0.305 -0.275) 1.471 6.294 ( 2.292 -0.642 0.008) 2.380 6.899 ( 1.375 5.235 6.560) 8.504 7.334 ( -2.339 9.996 -1.772) 10.418 8.297 ( -3.909 3.579 -0.253) 5.306======================= Grid point 407 (159/344) =======================q-point: (-0.13 -0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.660 ( -0.030 -16.384 -6.712) 17.705 1.955 ( 4.567 -14.576 1.505) 15.349 2.279 ( 7.057 -4.108 2.848) 8.648 2.517 ( 0.884 -5.380 -0.612) 5.486 3.091 ( 0.553 -0.077 8.351) 8.369 3.314 ( 8.778 -13.671 -7.644) 17.955 5.632 ( 4.994 -9.124 -0.807) 10.433 6.078 ( -1.861 1.936 0.465) 2.725 6.326 ( 2.061 -1.505 0.253) 2.564 6.993 ( 2.295 3.885 5.605) 7.195 7.361 ( -5.351 10.132 -2.622) 11.754 8.252 ( -5.536 4.066 1.164) 6.967======================= Grid point 421 (160/344) =======================q-point: (-0.20 -0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.741 ( 0.000 -16.497 -8.803) 18.699 1.844 ( 0.000 -17.983 -6.207) 19.024 2.112 ( -0.000 -1.131 6.906) 6.998 2.495 ( -0.000 -9.145 0.001) 9.145 3.049 ( -0.000 -16.672 10.570) 19.740 3.187 ( 0.000 1.018 -6.790) 6.866 5.534 ( -0.000 -8.722 0.265) 8.726 6.118 ( 0.000 2.451 -0.562) 2.514 6.277 ( 0.000 0.849 -0.177) 0.867 6.948 ( -0.000 3.125 7.653) 8.267 7.450 ( 0.000 11.068 -1.943) 11.237 8.365 ( 0.000 3.925 -0.982) 4.046======================= Grid point 422 (161/344) =======================q-point: (-0.13 -0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.487 ( -3.519 -19.908 -9.948) 22.532 1.715 ( 5.849 -17.944 -3.276) 19.155 2.163 ( 4.502 -1.457 5.006) 6.888 2.408 ( 2.717 -12.013 -0.902) 12.349 2.870 ( 5.219 -25.866 2.288) 26.486 3.265 ( -0.192 9.471 0.945) 9.520 5.478 ( 2.962 -8.540 0.157) 9.040 6.137 ( -1.428 4.092 -0.046) 4.334 6.298 ( 0.977 0.996 -0.204) 1.410 7.005 ( 1.517 1.478 7.260) 7.563 7.527 ( -3.046 11.297 -2.301) 11.925 8.370 ( -3.424 3.991 -0.413) 5.275======================= Grid point 437 (162/344) =======================q-point: (-0.13 -0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.331 ( 0.000 -20.076 -9.799) 22.340 1.415 ( 0.000 -21.687 -9.152) 23.539 2.134 ( -0.000 -0.535 5.232) 5.260 2.193 ( -0.000 -25.288 1.341) 25.323 2.611 ( -0.000 -19.104 -0.464) 19.110 3.367 ( -0.000 8.654 3.206) 9.229 5.377 ( -0.000 -7.695 0.710) 7.727 6.196 ( 0.000 5.371 0.029) 5.371 6.307 ( 0.000 2.297 -0.388) 2.330 7.018 ( -0.000 -0.535 8.322) 8.339 7.658 ( 0.000 11.707 -2.118) 11.897 8.431 ( 0.000 3.517 -1.460) 3.808======================= Grid point 486 (163/344) =======================q-point: ( 0.13 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.420 ( -0.000 0.000 23.226) 23.226 0.420 ( -0.000 0.000 23.226) 23.226 0.727 ( -0.000 0.000 40.623) 40.623 2.109 ( 0.000 -0.000 -3.722) 3.722 2.109 ( 0.000 -0.000 -3.722) 3.722 3.999 ( 0.000 -0.000 -10.288) 10.288 5.152 ( 0.000 0.000 -0.053) 0.053 5.152 ( 0.000 -0.000 -0.053) 0.053 6.414 ( -0.000 0.000 0.125) 0.125 6.414 ( -0.000 0.000 0.125) 0.125 8.147 ( -0.000 0.000 2.535) 2.535 8.537 ( 0.000 -0.000 -1.036) 1.036======================= Grid point 487 (164/344) =======================q-point: ( 0.20 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.518 ( 8.933 5.158 15.219) 18.385 0.642 ( 7.649 4.416 22.290) 23.976 1.215 ( 27.701 15.993 24.785) 40.465 2.123 ( 3.302 1.906 -5.321) 6.546 2.126 ( 1.529 0.883 -3.078) 3.549 3.614 ( -9.035 -5.216 -1.413) 10.528 5.187 ( 2.733 1.578 0.235) 3.164 6.270 ( 41.343 23.869 -41.222) 63.073 6.389 ( -2.487 -1.436 0.054) 2.872 6.393 ( -1.672 -0.965 -0.004) 1.931 8.106 ( -5.075 -2.930 3.770) 6.968 8.468 ( -3.977 -2.296 -0.950) 4.689======================= Grid point 488 (165/344) =======================q-point: ( 0.27 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.822 ( 14.540 8.395 6.749) 18.095 0.910 ( 11.429 6.599 12.509) 18.184 1.914 ( 28.991 16.738 13.378) 36.050 2.158 ( 2.064 1.191 -2.296) 3.309 2.213 ( 6.090 3.516 -5.110) 8.692 3.487 ( -3.076 -1.776 -4.257) 5.544 5.273 ( 4.951 2.859 0.402) 5.732 6.303 ( -4.914 -2.837 -0.386) 5.688 6.346 ( -2.445 -1.412 -0.109) 2.825 6.762 ( 16.699 9.641 -20.380) 28.056 7.953 ( -9.508 -5.489 5.686) 12.364 8.368 ( -4.573 -2.640 -4.779) 7.122======================= Grid point 489 (166/344) =======================q-point: ( 0.33 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.170 ( 15.242 8.800 2.288) 17.748 1.204 ( 12.866 7.428 3.376) 15.236 2.204 ( 2.593 1.497 -1.325) 3.274 2.334 ( 7.579 4.376 -8.639) 12.298 2.548 ( 23.091 13.332 9.922) 28.450 3.444 ( 0.144 0.083 -0.830) 0.847 5.405 ( 6.682 3.858 0.484) 7.731 6.183 ( -5.440 -3.141 -0.672) 6.317 6.293 ( -2.075 -1.198 -0.197) 2.404 6.986 ( 8.044 4.644 -9.516) 13.297 7.732 ( -11.938 -6.892 5.691) 14.913 8.243 ( -4.743 -2.738 -6.645) 8.611======================= Grid point 490 (167/344) =======================q-point: ( 0.40 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.492 ( 13.023 7.519 -2.765) 15.290 1.493 ( 13.421 7.749 -0.486) 15.505 2.265 ( 3.150 1.819 -0.127) 3.640 2.468 ( 6.411 3.701 -5.368) 9.144 2.957 ( 11.025 6.365 1.738) 12.849 3.517 ( 6.548 3.780 5.127) 9.135 5.563 ( 7.169 4.139 0.520) 8.295 6.079 ( -3.327 -1.921 -0.872) 3.939 6.261 ( -0.590 -0.341 -0.259) 0.729 7.067 ( 1.500 0.866 -5.809) 6.062 7.458 ( -14.002 -8.084 3.836) 16.617 8.150 ( -1.654 -0.955 -4.834) 5.197======================= Grid point 491 (168/344) =======================q-point: ( 0.47 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.749 ( 9.922 5.728 -2.337) 11.693 1.761 ( 12.373 7.144 -5.861) 15.443 2.342 ( 3.519 2.032 1.121) 4.215 2.581 ( 4.767 2.752 -3.295) 6.415 3.063 ( -0.150 -0.087 1.084) 1.098 3.725 ( 9.007 5.200 5.549) 11.787 5.711 ( 5.794 3.345 0.474) 6.707 6.046 ( 0.784 0.453 -1.115) 1.437 6.270 ( 1.404 0.811 -0.235) 1.638 7.035 ( -2.500 -1.443 -6.006) 6.664 7.148 ( -14.186 -8.190 3.148) 16.681 8.142 ( 1.386 0.800 -1.736) 2.362======================= Grid point 492 (169/344) =======================q-point: ( 0.53 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.917 ( 6.104 3.524 -3.129) 7.712 2.002 ( 11.088 6.402 -7.026) 14.605 2.419 ( 2.813 1.624 1.892) 3.759 2.652 ( 2.261 1.306 -2.259) 3.453 3.010 ( -4.304 -2.485 1.996) 5.356 3.901 ( 5.299 3.059 4.487) 7.588 5.813 ( 3.278 1.893 0.317) 3.799 6.108 ( 5.055 2.918 -1.412) 6.005 6.314 ( 2.362 1.364 -0.104) 2.730 6.826 ( -12.623 -7.288 -1.488) 14.652 6.992 ( -2.333 -1.347 -0.390) 2.721 8.179 ( 1.849 1.067 -0.213) 2.146======================= Grid point 493 (170/344) =======================q-point: ( 0.60 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.008 ( 3.127 1.805 -2.796) 4.567 2.206 ( 8.916 5.147 -6.611) 12.235 2.463 ( 0.381 0.220 1.888) 1.938 2.663 ( -0.625 -0.361 -1.308) 1.494 2.909 ( -4.672 -2.698 0.287) 5.403 3.986 ( 1.231 0.711 4.660) 4.872 5.859 ( 0.949 0.548 0.161) 1.108 6.249 ( 7.446 4.299 -1.709) 8.766 6.357 ( 1.148 0.663 0.017) 1.325 6.572 ( -9.511 -5.491 0.517) 10.995 6.966 ( 0.072 0.041 0.085) 0.118 8.210 ( 0.883 0.510 0.134) 1.028======================= Grid point 494 (171/344) =======================q-point: (-0.33 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.044 ( 0.742 0.428 -1.486) 1.715 2.330 ( 2.136 1.233 -1.508) 2.890 2.439 ( -2.991 -1.727 1.102) 3.626 2.652 ( 1.638 0.946 -2.257) 2.945 2.817 ( -3.271 -1.889 -2.924) 4.777 3.978 ( -3.420 -1.974 4.307) 5.843 5.857 ( -1.193 -0.689 0.068) 1.379 6.299 ( -5.249 -3.030 0.440) 6.077 6.358 ( -1.058 -0.611 0.058) 1.223 6.528 ( 7.784 4.494 -1.312) 9.083 6.996 ( 2.474 1.428 1.295) 3.137 8.220 ( 0.075 0.043 0.562) 0.569======================= Grid point 495 (172/344) =======================q-point: (-0.27 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.028 ( -2.509 -1.449 1.395) 3.216 2.269 ( -7.344 -4.240 5.537) 10.128 2.343 ( -5.282 -3.050 -1.106) 6.199 2.710 ( -1.370 -0.791 1.549) 2.214 2.789 ( 6.661 3.845 -10.078) 12.677 3.846 ( -9.778 -5.645 2.389) 11.541 5.804 ( -3.674 -2.121 -0.045) 4.242 6.171 ( -5.197 -3.000 1.549) 6.197 6.319 ( -2.141 -1.236 0.087) 2.474 6.740 ( 10.360 5.981 -4.186) 12.673 7.084 ( 4.986 2.879 2.398) 6.237 8.228 ( 0.558 0.322 1.832) 1.942======================= Grid point 496 (173/344) =======================q-point: (-0.20 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.916 ( -9.091 -5.249 5.945) 12.064 2.068 ( -12.324 -7.115 8.048) 16.348 2.230 ( -3.462 -1.999 -4.760) 6.216 2.635 ( -4.479 -2.586 -0.474) 5.194 2.973 ( 10.051 5.803 -5.290) 12.755 3.550 ( -17.212 -9.937 -0.670) 19.886 5.693 ( -6.230 -3.597 -0.270) 7.199 6.098 ( -1.554 -0.897 1.393) 2.271 6.280 ( -1.162 -0.671 0.188) 1.355 6.924 ( 7.209 4.162 -6.634) 10.644 7.232 ( 7.732 4.464 2.656) 9.314 8.266 ( 2.321 1.340 3.349) 4.289======================= Grid point 497 (174/344) =======================q-point: (-0.13 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.666 ( -14.833 -8.564 8.167) 18.975 1.777 ( -16.119 -9.306 8.918) 20.639 2.167 ( -1.190 -0.687 -5.661) 5.826 2.501 ( -8.103 -4.678 -1.310) 9.448 3.075 ( -20.583 -11.884 5.520) 24.400 3.197 ( 6.937 4.005 -9.772) 12.635 5.538 ( -7.424 -4.286 -0.545) 8.589 6.112 ( 2.390 1.380 0.748) 2.859 6.275 ( 0.672 0.388 0.319) 0.839 7.014 ( 2.946 1.701 -7.248) 8.007 7.433 ( 9.562 5.521 1.901) 11.204 8.345 ( 3.683 2.126 3.386) 5.436======================= Grid point 502 (175/344) =======================q-point: ( 0.20 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.673 ( -0.000 18.779 12.995) 22.837 0.793 ( -0.000 15.981 18.278) 24.279 1.196 ( -0.000 21.492 30.278) 37.130 2.060 ( 0.000 -0.948 -5.832) 5.909 2.161 ( 0.000 6.366 -4.006) 7.522 3.606 ( 0.000 -11.712 -2.922) 12.071 5.169 ( 0.000 2.347 -0.250) 2.360 6.147 ( 0.000 46.140 -35.396) 58.153 6.387 ( 0.000 -1.549 -0.947) 1.816 6.402 ( -0.000 -1.551 0.225) 1.568 8.114 ( -0.000 -6.048 3.794) 7.139 8.480 ( 0.000 -2.783 -1.506) 3.165======================= Grid point 503 (176/344) =======================q-point: ( 0.27 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.905 ( -0.293 22.358 7.953) 23.732 0.962 ( 0.396 14.488 18.483) 23.488 1.711 ( 20.895 21.749 16.956) 34.600 2.076 ( 4.860 -0.203 -4.546) 6.658 2.220 ( 0.446 7.898 -4.755) 9.230 3.483 ( -2.005 -5.271 -5.441) 7.836 5.232 ( 3.620 3.564 0.051) 5.080 6.322 ( -1.592 -4.253 -0.959) 4.642 6.368 ( -1.711 -1.745 0.133) 2.448 6.563 ( 13.304 20.596 -23.621) 34.046 8.015 ( -4.469 -9.129 5.057) 11.353 8.414 ( -4.175 -1.686 -3.766) 5.870======================= Grid point 504 (177/344) =======================q-point: ( 0.33 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.141 ( 3.094 16.606 12.461) 20.991 1.204 ( 5.275 17.448 3.608) 18.581 2.109 ( 8.206 1.569 -6.186) 10.395 2.298 ( 1.767 8.605 -6.920) 11.183 2.365 ( 20.267 16.578 12.793) 29.141 3.419 ( 0.567 -2.448 -3.575) 4.369 5.350 ( 5.375 5.204 0.354) 7.490 6.223 ( -4.079 -4.836 -0.684) 6.363 6.321 ( -2.144 -1.087 -0.015) 2.403 6.846 ( 10.729 7.999 -12.803) 18.521 7.834 ( -7.832 -10.135 5.715) 14.026 8.294 ( -6.152 -1.859 -5.922) 8.740======================= Grid point 505 (178/344) =======================q-point: ( 0.40 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.389 ( 6.432 12.113 7.492) 15.628 1.476 ( 6.818 17.221 -1.966) 18.626 2.222 ( 5.365 2.525 -2.706) 6.517 2.399 ( 4.384 5.924 -5.880) 9.428 2.835 ( 14.313 11.440 3.821) 18.717 3.453 ( 5.411 1.170 2.054) 5.905 5.506 ( 6.191 6.596 0.577) 9.065 6.109 ( -3.790 -3.780 -0.781) 5.409 6.284 ( -1.690 0.395 -0.233) 1.751 6.997 ( 5.527 1.320 -7.510) 9.418 7.597 ( -11.001 -9.995 4.813) 15.623 8.167 ( -4.171 -1.621 -5.403) 7.015======================= Grid point 506 (179/344) =======================q-point: ( 0.47 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.627 ( 8.088 9.418 1.780) 12.541 1.732 ( 6.264 14.595 -3.500) 16.263 2.324 ( 3.420 4.795 -0.400) 5.903 2.514 ( 5.266 3.684 -3.855) 7.495 3.045 ( 3.575 2.228 -0.047) 4.213 3.634 ( 9.759 5.078 5.005) 12.086 5.673 ( 5.330 7.166 0.720) 8.960 6.038 ( -0.922 -1.616 -0.889) 2.062 6.276 ( -0.391 2.060 -0.376) 2.131 7.017 ( 0.422 -2.251 -6.399) 6.797 7.311 ( -13.500 -8.852 3.222) 16.462 8.113 ( 0.562 -1.098 -2.378) 2.679======================= Grid point 507 (180/344) =======================q-point: ( 0.53 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.838 ( 7.183 6.986 -0.764) 10.049 1.940 ( 5.412 11.709 -5.157) 13.892 2.424 ( 2.039 5.927 1.103) 6.364 2.609 ( 3.804 1.985 -2.494) 4.963 3.051 ( -2.275 -1.668 0.770) 2.924 3.839 ( 7.481 3.582 4.088) 9.247 5.811 ( 2.658 6.837 0.688) 7.368 6.051 ( 3.275 0.755 -1.089) 3.533 6.307 ( 1.065 3.016 -0.337) 3.217 6.929 ( -6.535 -5.283 -6.317) 10.512 7.047 ( -8.430 -4.336 3.351) 10.054 8.133 ( 3.088 -1.338 -0.314) 3.380======================= Grid point 508 (181/344) =======================q-point: ( 0.60 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.979 ( 3.300 5.057 -1.895) 6.328 2.120 ( 6.495 8.871 -6.001) 12.526 2.500 ( -0.366 5.435 1.930) 5.779 2.656 ( 1.101 0.561 -1.837) 2.214 2.966 ( -5.030 -2.600 0.181) 5.665 3.967 ( 3.862 1.007 4.350) 5.903 5.892 ( -0.485 6.067 0.464) 6.104 6.147 ( 6.779 1.893 -1.262) 7.151 6.357 ( 1.373 3.030 -0.217) 3.333 6.695 ( -10.950 -5.204 -1.219) 12.184 6.971 ( -1.096 -0.750 0.338) 1.371 8.170 ( 3.001 -2.071 0.165) 3.650======================= Grid point 509 (182/344) =======================q-point: (-0.33 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.043 ( 0.529 3.306 -1.962) 3.880 2.277 ( 5.451 5.348 -5.036) 9.148 2.515 ( -3.814 3.196 2.239) 5.456 2.655 ( -0.785 1.010 -1.470) 1.949 2.855 ( -4.794 -2.139 -1.889) 5.579 4.011 ( -0.328 -1.129 4.796) 4.938 5.915 ( -3.094 4.793 0.271) 5.711 6.259 ( 4.342 -1.889 -0.783) 4.800 6.407 ( -0.037 3.415 -0.783) 3.504 6.516 ( -4.240 0.234 0.470) 4.273 6.975 ( 1.436 0.529 0.740) 1.700 8.190 ( 2.139 -2.733 0.258) 3.481======================= Grid point 510 (183/344) =======================q-point: (-0.27 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.051 ( -1.504 0.638 -0.673) 1.767 2.333 ( -1.819 -0.296 0.161) 1.849 2.448 ( -7.100 1.006 1.714) 7.373 2.688 ( 3.290 4.011 -2.025) 5.569 2.763 ( -3.023 -0.669 -5.018) 5.897 3.950 ( -6.378 -3.402 3.893) 8.210 5.883 ( -5.311 2.679 0.213) 5.953 6.214 ( -3.595 -4.749 0.720) 6.000 6.368 ( -3.769 1.156 0.204) 3.948 6.633 ( 8.528 7.001 -2.791) 11.381 7.032 ( 4.078 1.219 1.626) 4.557 8.197 ( 2.103 -2.788 0.915) 3.610======================= Grid point 511 (184/344) =======================q-point: (-0.20 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.989 ( -4.952 -4.318 3.012) 7.227 2.225 ( -9.174 -2.896 3.540) 10.251 2.325 ( -8.449 1.570 -0.952) 8.646 2.670 ( -3.213 -2.934 -0.486) 4.378 2.855 ( 8.648 7.177 -6.603) 13.035 3.743 ( -14.401 -6.066 2.004) 15.754 5.791 ( -7.472 0.205 0.171) 7.477 6.120 ( -2.710 -2.877 1.024) 4.083 6.321 ( -3.341 1.455 0.180) 3.649 6.828 ( 7.916 5.961 -5.544) 11.355 7.145 ( 7.113 1.881 2.355) 7.725 8.223 ( 3.442 -1.986 2.005) 4.451======================= Grid point 512 (185/344) =======================q-point: (-0.13 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.801 ( -11.293 -10.057 7.575) 16.913 2.010 ( -14.159 -3.493 3.966) 15.114 2.221 ( -5.839 3.319 -4.144) 7.891 2.572 ( -5.239 -3.360 -0.588) 6.252 3.062 ( 10.015 5.959 -4.923) 12.651 3.369 ( -22.568 -8.187 1.242) 24.039 5.645 ( -9.005 -1.488 0.014) 9.127 6.090 ( 0.918 -0.689 0.664) 1.326 6.293 ( -1.772 1.711 0.172) 2.469 6.958 ( 4.328 3.685 -6.836) 8.891 7.316 ( 9.836 2.717 2.223) 10.443 8.287 ( 5.039 -1.001 2.143) 5.567======================= Grid point 518 (186/344) =======================q-point: ( 0.27 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.132 ( -0.000 21.545 7.220) 22.723 1.208 ( -0.000 17.258 13.222) 21.741 1.822 ( -0.000 27.411 19.688) 33.749 2.007 ( 0.000 -0.613 -7.091) 7.117 2.286 ( 0.000 9.109 -6.001) 10.908 3.425 ( 0.000 -5.786 -5.769) 8.171 5.241 ( 0.000 5.328 -0.092) 5.328 6.289 ( 0.000 -4.520 -0.712) 4.576 6.362 ( -0.000 -2.593 0.140) 2.597 6.595 ( 0.000 18.876 -18.845) 26.672 7.964 ( -0.000 -11.689 4.798) 12.635 8.426 ( 0.000 -1.464 -4.505) 4.737======================= Grid point 519 (187/344) =======================q-point: ( 0.33 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.353 ( 0.442 19.859 3.479) 20.166 1.378 ( -2.964 18.457 13.676) 23.162 2.001 ( 4.071 2.416 -7.583) 8.939 2.275 ( 12.793 17.541 14.530) 26.124 2.361 ( 1.742 13.230 -8.966) 16.076 3.365 ( 0.696 -3.726 -3.695) 5.294 5.331 ( 3.605 6.679 0.250) 7.594 6.223 ( -2.103 -5.196 -0.435) 5.622 6.331 ( -0.720 -2.050 0.034) 2.173 6.751 ( 6.140 10.082 -12.211) 16.984 7.831 ( -3.356 -12.633 4.744) 13.906 8.357 ( -4.610 -1.543 -5.550) 7.379======================= Grid point 520 (188/344) =======================q-point: ( 0.40 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.522 ( -1.191 14.857 7.761) 16.804 1.583 ( 1.661 19.927 3.204) 20.251 2.117 ( 8.381 3.517 -5.796) 10.780 2.402 ( 1.190 6.085 -4.803) 7.843 2.747 ( 12.738 16.198 2.874) 20.806 3.380 ( 4.381 0.296 1.401) 4.609 5.482 ( 5.558 8.160 0.722) 9.899 6.127 ( -3.325 -4.400 -0.645) 5.553 6.306 ( -0.682 -0.251 -0.294) 0.784 6.889 ( 6.138 2.349 -7.473) 9.951 7.646 ( -6.090 -12.212 4.440) 14.351 8.227 ( -6.432 -1.570 -5.630) 8.691======================= Grid point 521 (189/344) =======================q-point: ( 0.47 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.671 ( 1.691 12.386 4.214) 13.192 1.806 ( 2.622 17.181 0.468) 17.386 2.286 ( 7.381 5.993 -2.484) 9.826 2.474 ( 2.847 4.790 -3.778) 6.732 2.995 ( 5.536 4.273 -1.494) 7.151 3.540 ( 9.041 6.031 4.684) 11.834 5.665 ( 5.728 9.271 1.144) 10.957 6.042 ( -2.207 -2.518 -0.794) 3.441 6.305 ( -0.330 2.010 -0.741) 2.168 6.945 ( 3.049 -2.400 -5.890) 7.053 7.422 ( -9.205 -10.485 3.433) 14.368 8.110 ( -3.400 -1.657 -3.591) 5.216======================= Grid point 522 (190/344) =======================q-point: ( 0.53 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.838 ( 3.723 10.532 2.540) 11.455 1.989 ( 2.090 13.332 -2.243) 13.680 2.448 ( 4.187 8.045 -0.069) 9.069 2.561 ( 3.648 3.191 -2.120) 5.290 3.053 ( 0.820 -0.680 -0.743) 1.299 3.756 ( 8.052 4.739 3.077) 9.836 5.841 ( 3.862 9.307 1.450) 10.180 6.014 ( 0.999 -0.111 -0.983) 1.406 6.328 ( 0.220 3.493 -1.015) 3.644 6.917 ( -0.543 -3.947 -5.794) 7.032 7.174 ( -10.639 -7.113 2.805) 13.102 8.069 ( 1.341 -2.533 -1.007) 3.038======================= Grid point 523 (191/344) =======================q-point: ( 0.60 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.994 ( 2.685 8.602 1.335) 9.110 2.126 ( 2.425 10.051 -3.937) 11.064 2.566 ( 0.910 6.491 1.395) 6.702 2.633 ( 2.271 2.554 -1.213) 3.627 3.022 ( -3.302 -0.377 -0.933) 3.452 3.904 ( 5.740 0.915 2.734) 6.424 5.967 ( 0.787 8.012 1.336) 8.161 6.068 ( 4.351 2.138 -1.091) 4.970 6.367 ( 0.811 3.127 -0.944) 3.366 6.803 ( -7.245 -3.800 -3.698) 8.978 7.002 ( -4.392 -2.133 1.790) 5.201 8.083 ( 3.600 -3.792 0.059) 5.228======================= Grid point 524 (192/344) =======================q-point: ( 0.67 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.086 ( -0.475 6.524 -0.125) 6.542 2.248 ( 3.559 7.149 -4.062) 8.959 2.598 ( -1.889 1.086 1.720) 2.776 2.678 ( 0.082 2.831 -0.027) 2.833 2.943 ( -6.610 2.886 -2.761) 7.723 3.985 ( 3.375 -1.692 3.670) 5.265 6.028 ( -2.542 6.812 0.753) 7.309 6.167 ( 5.103 0.893 -0.815) 5.244 6.410 ( 1.862 2.058 -0.932) 2.928 6.635 ( -8.519 0.461 -0.411) 8.541 6.969 ( -0.096 0.224 0.466) 0.525 8.104 ( 3.665 -4.787 0.141) 6.031======================= Grid point 525 (193/344) =======================q-point: (-0.27 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.105 ( -3.036 3.638 -0.547) 4.770 2.339 ( 1.739 3.418 -2.800) 4.749 2.552 ( -3.843 -0.758 2.100) 4.445 2.693 ( 0.196 0.405 0.717) 0.847 2.855 ( -7.827 6.743 -4.716) 11.356 3.996 ( -1.082 -3.039 3.688) 4.900 6.015 ( -5.648 4.321 0.564) 7.134 6.204 ( 0.068 -3.049 -0.165) 3.054 6.441 ( -1.400 1.620 -0.589) 2.221 6.598 ( 1.494 7.220 -0.898) 7.427 6.991 ( 2.096 0.470 0.771) 2.282 8.114 ( 3.410 -5.075 0.304) 6.121======================= Grid point 526 (194/344) =======================q-point: (-0.20 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.049 ( -5.374 -0.990 0.884) 5.536 2.329 ( -4.456 -0.098 -0.281) 4.466 2.476 ( -6.303 1.212 1.046) 6.503 2.684 ( -1.451 -3.226 1.318) 3.775 2.831 ( -0.453 9.509 -5.848) 11.173 3.897 ( -8.360 -3.955 2.553) 9.594 5.933 ( -7.741 1.689 0.806) 7.964 6.139 ( -2.933 -3.269 0.109) 4.393 6.412 ( -4.261 3.148 -0.016) 5.298 6.749 ( 6.995 7.093 -3.923) 10.707 7.056 ( 5.202 0.057 1.746) 5.487 8.131 ( 4.176 -4.371 0.764) 6.093======================= Grid point 527 (195/344) =======================q-point: (-0.13 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.907 ( -9.026 -5.841 3.986) 11.466 2.193 ( -10.502 -1.841 -0.073) 10.662 2.375 ( -8.304 3.766 -0.927) 9.165 2.609 ( -3.382 -3.032 -0.061) 4.543 2.962 ( 6.866 6.633 -3.783) 10.269 3.652 ( -17.082 -4.210 2.041) 17.711 5.799 ( -9.639 0.182 0.946) 9.687 6.077 ( -0.952 -1.913 -0.123) 2.140 6.366 ( -4.262 2.494 -0.204) 4.943 6.902 ( 5.408 5.415 -5.732) 9.561 7.179 ( 8.871 0.143 2.525) 9.225 8.179 ( 5.654 -3.195 0.583) 6.520======================= Grid point 534 (196/344) =======================q-point: ( 0.33 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.558 ( -0.000 19.219 3.227) 19.488 1.598 ( -0.000 16.706 7.970) 18.509 1.958 ( 0.000 -0.093 -6.426) 6.427 2.369 ( -0.000 9.448 5.490) 10.928 2.473 ( 0.000 23.929 -3.760) 24.223 3.319 ( 0.000 -2.321 -0.752) 2.440 5.371 ( 0.000 7.953 0.297) 7.958 6.193 ( -0.000 -4.721 -0.126) 4.723 6.312 ( -0.000 -2.449 -0.088) 2.450 6.758 ( 0.000 7.285 -8.940) 11.532 7.742 ( -0.000 -13.660 3.781) 14.174 8.365 ( 0.000 -1.651 -5.668) 5.903======================= Grid point 535 (197/344) =======================q-point: ( 0.40 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.697 ( -2.471 14.594 -2.102) 14.951 1.788 ( -0.134 16.856 9.928) 19.563 2.001 ( 6.774 3.138 -6.140) 9.666 2.426 ( 0.568 4.698 -5.824) 7.504 2.761 ( 6.045 18.194 1.261) 19.213 3.342 ( 2.563 3.212 4.222) 5.891 5.486 ( 3.834 8.911 0.646) 9.723 6.132 ( -2.160 -3.760 -0.422) 4.356 6.297 ( 0.647 -1.236 -0.295) 1.426 6.813 ( 3.089 2.102 -5.647) 6.771 7.601 ( -2.367 -13.397 3.037) 13.939 8.293 ( -4.577 -1.576 -5.488) 7.318======================= Grid point 536 (198/344) =======================q-point: ( 0.47 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.779 ( -0.239 10.468 -2.035) 10.667 1.962 ( -0.343 14.953 6.454) 16.290 2.191 ( 10.267 7.606 -3.553) 13.262 2.470 ( 1.874 4.148 -5.102) 6.838 2.950 ( 3.908 4.282 -1.214) 5.923 3.502 ( 6.067 10.218 5.725) 13.190 5.662 ( 5.982 9.740 1.137) 11.486 6.058 ( -2.698 -2.093 -0.784) 3.503 6.310 ( 1.222 0.960 -0.854) 1.773 6.852 ( 3.205 -2.339 -3.944) 5.595 7.431 ( -4.298 -12.027 2.429) 13.001 8.170 ( -6.174 -1.310 -4.310) 7.643======================= Grid point 537 (199/344) =======================q-point: ( 0.53 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.895 ( 2.708 9.782 0.293) 10.154 2.096 ( 0.092 11.102 1.338) 11.182 2.425 ( 7.709 8.814 0.048) 11.710 2.542 ( 3.134 4.779 -2.786) 6.358 3.008 ( 2.836 -1.261 -0.582) 3.158 3.708 ( 5.332 8.209 2.662) 10.144 5.860 ( 5.542 9.694 1.685) 11.293 6.012 ( -1.055 0.101 -1.019) 1.470 6.346 ( 1.167 2.756 -1.559) 3.375 6.852 ( 1.921 -3.879 -3.566) 5.608 7.246 ( -6.300 -9.297 1.879) 11.386 8.060 ( -3.643 -1.745 -2.185) 4.592======================= Grid point 538 (200/344) =======================q-point: ( 0.60 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.042 ( 3.152 9.298 1.609) 9.948 2.191 ( 0.291 8.522 -1.112) 8.600 2.569 ( 3.167 2.678 0.066) 4.148 2.650 ( 2.114 6.741 0.661) 7.096 3.043 ( 1.959 1.700 -0.945) 2.760 3.836 ( 3.704 2.225 0.883) 4.410 6.003 ( 1.862 3.811 1.117) 4.386 6.049 ( 3.171 6.560 -0.241) 7.290 6.380 ( 0.403 2.155 -1.911) 2.908 6.828 ( -0.411 -1.609 -3.213) 3.617 7.072 ( -6.227 -5.021 1.712) 8.180 8.006 ( 0.387 -3.386 -0.510) 3.446======================= Grid point 539 (201/344) =======================q-point: ( 0.67 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.166 ( 0.580 8.181 1.464) 8.331 2.269 ( 0.984 6.752 -1.942) 7.094 2.611 ( 0.535 0.147 -0.199) 0.590 2.695 ( -0.418 -0.574 1.993) 2.115 3.094 ( -3.153 10.359 -2.447) 11.101 3.898 ( 4.395 -3.023 1.593) 5.568 6.076 ( 3.134 3.076 0.108) 4.393 6.148 ( 0.505 5.424 0.460) 5.467 6.389 ( 0.860 -0.548 -1.481) 1.799 6.777 ( -5.705 3.170 -1.238) 6.643 6.983 ( -1.571 -0.699 0.680) 1.849 7.995 ( 2.928 -5.196 0.017) 5.964======================= Grid point 540 (202/344) =======================q-point: (-0.27 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.213 ( -3.763 6.106 0.623) 7.199 2.341 ( 1.513 4.442 -1.918) 5.070 2.589 ( -1.993 -1.651 1.010) 2.778 2.673 ( 0.475 -3.439 0.829) 3.569 3.096 ( -9.442 13.054 -2.983) 16.385 3.941 ( 4.255 -4.828 2.357) 6.853 6.132 ( -2.762 3.456 0.582) 4.462 6.170 ( 0.803 -0.369 -0.394) 0.968 6.414 ( 3.545 -0.533 -0.990) 3.719 6.727 ( -5.863 8.242 0.135) 10.115 6.978 ( 0.207 0.303 -0.038) 0.369 7.998 ( 3.871 -5.878 0.059) 7.038======================= Grid point 541 (203/344) =======================q-point: (-0.20 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.160 ( -7.146 1.709 0.680) 7.379 2.374 ( -0.915 1.590 -1.792) 2.564 2.547 ( -2.051 -0.009 1.119) 2.336 2.658 ( 1.030 -3.086 1.457) 3.565 3.024 ( -10.776 10.420 -2.778) 15.245 3.941 ( -0.477 -4.106 1.585) 4.427 6.063 ( -6.252 0.354 0.898) 6.326 6.158 ( -1.996 -1.301 -0.265) 2.397 6.470 ( 1.660 1.457 -1.385) 2.607 6.754 ( -0.643 9.000 -1.027) 9.081 6.992 ( 2.227 -1.112 0.664) 2.577 8.014 ( 4.417 -4.894 0.105) 6.593======================= Grid point 542 (204/344) =======================q-point: (-0.13 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.025 ( -9.055 -2.119 1.774) 9.467 2.315 ( -6.077 -0.948 -2.085) 6.495 2.517 ( -4.188 2.795 0.052) 5.035 2.633 ( -2.151 -2.998 2.218) 4.305 2.975 ( -2.696 6.765 -1.869) 7.518 3.839 ( -8.425 -2.697 0.854) 8.888 5.953 ( -7.776 -0.073 1.509) 7.921 6.093 ( -3.233 -1.301 -0.759) 3.567 6.459 ( -3.843 1.409 -1.367) 4.316 6.859 ( 4.322 6.538 -3.764) 8.694 7.049 ( 6.301 -2.174 2.347) 7.066 8.056 ( 5.205 -3.045 -0.293) 6.037======================= Grid point 550 (205/344) =======================q-point: ( 0.40 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.880 ( 0.000 13.559 -3.070) 13.902 1.881 ( 0.000 6.690 -8.266) 10.634 1.984 ( -0.000 8.663 7.186) 11.256 2.438 ( 0.000 3.329 -7.289) 8.013 2.871 ( -0.000 11.389 1.680) 11.513 3.401 ( -0.000 10.788 7.326) 13.041 5.539 ( 0.000 8.995 0.614) 9.016 6.120 ( 0.000 -2.381 -0.657) 2.470 6.275 ( 0.000 -1.019 -0.305) 1.064 6.787 ( 0.000 -0.063 -3.225) 3.225 7.498 ( -0.000 -13.275 1.652) 13.377 8.302 ( 0.000 -1.519 -5.068) 5.291======================= Grid point 551 (206/344) =======================q-point: ( 0.47 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.859 ( -1.401 5.870 -6.371) 8.775 2.057 ( 5.517 5.031 -5.054) 9.016 2.134 ( 4.241 14.109 4.654) 15.450 2.461 ( 1.290 3.402 -4.984) 6.171 2.947 ( 0.594 1.900 2.443) 3.152 3.576 ( 2.237 15.398 6.200) 16.750 5.665 ( 4.464 8.870 0.795) 9.962 6.083 ( -2.090 -0.725 -1.191) 2.513 6.286 ( 1.745 0.496 -0.573) 1.902 6.781 ( 1.433 -2.821 -1.421) 3.468 7.365 ( -1.537 -12.112 0.675) 12.228 8.238 ( -4.262 -1.122 -4.137) 6.045======================= Grid point 552 (207/344) =======================q-point: ( 0.53 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.922 ( 3.136 6.785 -2.743) 7.962 2.153 ( 3.098 4.235 -2.948) 6.019 2.388 ( 8.466 11.962 1.817) 14.767 2.518 ( 3.022 3.837 -2.826) 5.643 2.957 ( 0.794 -2.647 2.901) 4.006 3.761 ( 1.449 12.400 2.713) 12.775 5.849 ( 6.766 8.547 1.127) 10.959 6.042 ( -2.205 1.142 -1.428) 2.864 6.332 ( 2.413 1.987 -1.281) 3.378 6.771 ( 2.025 -4.312 -0.620) 4.804 7.225 ( -2.572 -10.069 0.215) 10.394 8.129 ( -6.051 -0.704 -2.663) 6.648======================= Grid point 553 (208/344) =======================q-point: ( 0.60 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.060 ( 4.908 7.545 0.000) 9.001 2.234 ( 2.661 4.237 -1.916) 5.357 2.551 ( 2.126 3.226 1.197) 4.045 2.662 ( 5.239 7.487 -0.546) 9.154 2.978 ( 5.330 -1.167 2.031) 5.822 3.858 ( -1.225 6.249 -0.048) 6.368 6.016 ( 1.516 3.834 0.663) 4.176 6.053 ( 3.544 6.204 -0.444) 7.158 6.379 ( 1.113 1.465 -1.973) 2.698 6.777 ( 3.336 -2.317 -0.548) 4.098 7.095 ( -3.127 -6.937 0.321) 7.616 8.022 ( -4.918 -1.205 -1.165) 5.196======================= Grid point 554 (209/344) =======================q-point: ( 0.67 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.206 ( 3.747 6.868 0.430) 7.836 2.311 ( 1.717 4.957 -0.572) 5.277 2.598 ( 1.219 0.834 0.275) 1.502 2.703 ( -1.992 -2.399 1.339) 3.393 3.158 ( 8.441 9.650 0.107) 12.822 3.848 ( -2.227 -0.893 -0.623) 2.478 6.062 ( 1.666 3.487 -0.398) 3.885 6.178 ( 2.749 4.811 1.016) 5.633 6.373 ( -0.936 -1.569 -1.746) 2.527 6.835 ( 2.676 2.968 -0.881) 4.092 7.002 ( -2.104 -2.898 0.683) 3.646 7.941 ( -2.047 -2.973 -0.286) 3.621======================= Grid point 555 (210/344) =======================q-point: ( 0.73 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.305 ( 0.893 5.335 -0.247) 5.415 2.375 ( -0.343 5.398 0.485) 5.430 2.603 ( -1.875 -1.986 0.260) 2.743 2.627 ( 0.023 -4.873 0.589) 4.908 3.345 ( -2.476 15.138 -1.218) 15.387 3.802 ( 3.396 -7.732 0.677) 8.472 6.131 ( 2.505 2.792 -0.262) 3.760 6.225 ( -2.321 2.523 0.540) 3.471 6.340 ( 2.070 -3.186 -0.846) 3.892 6.880 ( -2.536 6.206 0.078) 6.704 6.979 ( 0.126 0.045 -0.168) 0.215 7.898 ( 1.286 -4.373 -0.030) 4.558======================= Grid point 556 (211/344) =======================q-point: (-0.20 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.306 ( -6.626 2.748 0.205) 7.176 2.395 ( -0.828 1.617 -0.492) 1.882 2.558 ( 1.033 -1.801 1.301) 2.450 2.614 ( 0.677 -1.923 0.217) 2.050 3.320 ( -13.129 9.491 -0.928) 16.226 3.841 ( 7.173 -5.430 0.352) 9.004 6.153 ( -3.691 -0.655 -0.279) 3.759 6.181 ( -1.911 1.338 0.747) 2.449 6.394 ( 5.871 -0.551 -1.346) 6.049 6.891 ( -3.845 7.218 0.502) 8.193 6.965 ( -0.793 -1.950 -0.405) 2.143 7.904 ( 3.760 -3.172 -0.061) 4.920======================= Grid point 557 (212/344) =======================q-point: (-0.13 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.172 ( -9.443 -0.923 0.961) 9.536 2.371 ( -2.744 -0.584 -2.355) 3.662 2.580 ( -0.711 2.734 0.805) 2.937 2.617 ( 1.568 -2.346 2.421) 3.718 3.154 ( -11.896 2.726 0.064) 12.204 3.880 ( 0.742 -1.697 -0.730) 1.991 6.062 ( -5.736 -0.281 0.634) 5.778 6.148 ( -3.549 -0.085 0.033) 3.550 6.470 ( 2.752 -0.135 -2.515) 3.731 6.882 ( -1.771 2.511 -1.284) 3.330 6.956 ( 2.400 -1.844 1.518) 3.386 7.957 ( 4.486 -0.378 -0.375) 4.517======================= Grid point 566 (213/344) =======================q-point: ( 0.47 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.890 ( 0.000 1.917 -6.200) 6.490 2.012 ( 0.000 4.629 -10.847) 11.794 2.237 ( -0.000 10.840 4.463) 11.723 2.477 ( 0.000 4.344 -1.732) 4.677 2.960 ( -0.000 -1.348 4.799) 4.985 3.735 ( -0.000 16.573 4.832) 17.263 5.704 ( 0.000 7.372 0.569) 7.394 6.099 ( 0.000 1.020 -1.931) 2.183 6.275 ( 0.000 1.288 -0.313) 1.325 6.737 ( -0.000 -3.916 0.681) 3.974 7.265 ( -0.000 -10.925 -0.757) 10.951 8.253 ( 0.000 -0.899 -3.416) 3.532======================= Grid point 567 (214/344) =======================q-point: ( 0.53 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.913 ( 2.623 3.710 -3.434) 5.695 2.066 ( 5.927 0.944 -9.454) 11.198 2.386 ( 5.157 9.770 2.434) 11.312 2.524 ( 0.613 4.198 0.198) 4.247 2.943 ( -0.746 -3.654 5.075) 6.298 3.891 ( -0.464 13.418 2.221) 13.609 5.816 ( 5.391 6.157 0.510) 8.200 6.092 ( -1.975 2.645 -2.156) 3.943 6.310 ( 1.995 2.293 -0.556) 3.090 6.705 ( 0.788 -4.939 1.762) 5.303 7.158 ( -0.927 -8.862 -1.432) 9.024 8.204 ( -3.900 -0.412 -2.336) 4.565======================= Grid point 568 (215/344) =======================q-point: ( 0.60 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.030 ( 5.941 5.713 -0.083) 8.243 2.158 ( 7.072 0.176 -5.637) 9.046 2.566 ( 0.724 3.439 1.646) 3.881 2.607 ( 9.076 7.441 -0.851) 11.767 2.908 ( 0.501 -4.580 4.821) 6.668 3.971 ( -3.071 8.400 -0.294) 8.948 5.985 ( 7.323 4.831 0.586) 8.793 6.085 ( -1.550 4.122 -1.740) 4.735 6.365 ( 1.784 2.024 -1.061) 2.900 6.689 ( 2.867 -4.570 1.801) 5.688 7.063 ( -1.283 -6.095 -1.230) 6.349 8.112 ( -6.098 -0.042 -1.215) 6.218======================= Grid point 569 (216/344) =======================q-point: ( 0.67 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.185 ( 5.511 5.221 0.407) 7.602 2.269 ( 6.639 1.453 -2.017) 7.089 2.596 ( 0.318 1.071 0.795) 1.371 2.724 ( -1.654 -0.739 0.019) 1.812 3.014 ( 14.058 2.498 2.756) 14.542 3.945 ( -6.555 3.465 -1.469) 7.558 6.084 ( 0.302 4.006 -0.538) 4.053 6.153 ( 4.558 2.884 0.259) 5.400 6.381 ( -1.100 0.146 -0.941) 1.455 6.749 ( 7.473 -1.282 0.694) 7.614 6.998 ( -0.970 -2.823 -0.367) 3.008 8.001 ( -6.410 -0.425 -0.434) 6.439======================= Grid point 570 (217/344) =======================q-point: ( 0.73 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.302 ( 3.728 2.958 0.081) 4.759 2.385 ( 5.061 2.837 -0.500) 5.823 2.602 ( -0.450 -1.511 0.339) 1.613 2.632 ( -4.848 -3.080 0.115) 5.745 3.324 ( 16.131 5.021 1.105) 16.930 3.818 ( -9.707 -0.635 -1.020) 9.782 6.131 ( 1.040 3.412 -0.223) 3.574 6.228 ( 3.493 -0.406 0.281) 3.527 6.334 ( -3.712 -0.413 -0.208) 3.741 6.885 ( 6.951 1.734 -0.489) 7.180 6.973 ( -0.204 -0.583 0.515) 0.804 7.898 ( -4.522 -1.132 -0.079) 4.662======================= Grid point 571 (218/344) =======================q-point: (-0.20 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.365 ( 1.249 1.364 0.001) 1.850 2.477 ( -5.484 -6.316 0.010) 8.364 2.484 ( 3.057 3.653 -0.011) 4.763 2.607 ( -0.096 -0.125 0.001) 0.158 3.613 ( -12.361 -3.198 0.063) 12.768 3.614 ( 12.901 3.801 -0.063) 13.449 6.166 ( 0.553 0.639 0.023) 0.846 6.254 ( -2.824 -2.586 -0.077) 3.830 6.298 ( 3.003 2.734 0.055) 4.061 6.947 ( -0.524 -0.367 -0.005) 0.640 6.984 ( 0.506 0.379 0.004) 0.632 7.852 ( 0.083 0.091 -0.000) 0.123======================= Grid point 572 (219/344) =======================q-point: (-0.13 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.301 ( -7.325 -3.615 0.209) 8.171 2.391 ( -0.978 -0.385 -1.003) 1.453 2.560 ( 3.150 0.113 1.523) 3.501 2.613 ( 0.181 1.841 0.134) 1.855 3.358 ( -12.411 -6.493 0.712) 14.025 3.809 ( 6.414 3.320 -1.004) 7.292 6.149 ( -3.926 0.475 -0.453) 3.980 6.189 ( -1.822 -1.351 1.037) 2.494 6.391 ( 4.969 1.446 -1.426) 5.368 6.882 ( -2.731 -6.742 -0.024) 7.274 6.977 ( -1.596 1.563 0.209) 2.243 7.902 ( 3.489 3.099 -0.136) 4.669======================= Grid point 582 (220/344) =======================q-point: ( 0.53 0.53 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.901 ( 0.000 1.962 -2.603) 3.260 1.995 ( 0.000 1.437 -7.879) 8.009 2.426 ( -0.000 6.827 1.609) 7.014 2.562 ( -0.000 3.730 1.136) 3.899 2.926 ( -0.000 -4.549 4.820) 6.627 4.021 ( 0.000 10.927 0.682) 10.949 5.816 ( 0.000 4.005 0.228) 4.011 6.136 ( 0.000 4.161 -2.462) 4.835 6.316 ( 0.000 2.705 -0.138) 2.709 6.655 ( -0.000 -5.654 2.736) 6.281 7.086 ( 0.000 -6.506 -2.151) 6.852 8.228 ( 0.000 -0.225 -1.625) 1.640======================= Grid point 583 (221/344) =======================q-point: ( 0.60 0.53 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.974 ( 6.445 3.233 0.335) 7.218 2.032 ( 4.319 1.367 -4.405) 6.319 2.533 ( 5.989 4.745 0.192) 7.643 2.595 ( -0.050 2.245 1.215) 2.553 2.885 ( -0.966 -4.882 3.909) 6.329 4.090 ( -2.066 6.785 -1.178) 7.190 5.901 ( 6.123 2.653 0.065) 6.673 6.155 ( -2.021 4.936 -1.679) 5.591 6.356 ( 1.609 2.408 -0.261) 2.908 6.614 ( 1.017 -5.867 2.300) 6.383 7.025 ( -0.580 -3.682 -1.799) 4.139 8.193 ( -3.617 0.113 -0.854) 3.718======================= Grid point 584 (222/344) =======================q-point: ( 0.67 0.53 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.122 ( 7.068 -0.272 -2.861) 7.630 2.149 ( 7.531 5.213 2.955) 9.624 2.606 ( -0.181 0.396 0.534) 0.689 2.702 ( 6.990 2.815 -1.582) 7.700 2.847 ( 3.469 -4.410 4.054) 6.922 4.073 ( -4.894 2.907 -2.159) 6.087 6.043 ( 7.524 1.208 -0.204) 7.623 6.162 ( -1.826 3.884 -0.464) 4.317 6.396 ( 0.395 1.560 0.013) 1.609 6.613 ( 5.090 -3.912 0.999) 6.497 6.989 ( -0.600 -1.056 -0.835) 1.474 8.110 ( -6.183 0.280 -0.298) 6.197======================= Grid point 585 (223/344) =======================q-point: (-0.27 -0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.227 ( 6.696 -0.897 -0.920) 6.818 2.309 ( 5.608 2.980 1.537) 6.534 2.599 ( -0.369 -1.151 -0.168) 1.221 2.690 ( -4.185 -1.366 -0.896) 4.492 3.048 ( 17.587 -1.110 2.104) 17.747 3.977 ( -7.806 0.845 -1.596) 8.012 6.144 ( 4.042 0.209 -0.694) 4.106 6.162 ( -0.422 -0.242 0.411) 0.637 6.397 ( -2.102 1.865 0.855) 2.937 6.729 ( 10.445 -0.563 -0.100) 10.461 6.977 ( -0.463 0.249 0.022) 0.526 7.999 ( -7.110 0.310 -0.025) 7.117======================= Grid point 586 (224/344) =======================q-point: (-0.20 -0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.307 ( 5.167 -3.687 0.036) 6.348 2.392 ( 2.547 -1.105 0.264) 2.789 2.570 ( -2.002 0.528 -1.407) 2.504 2.617 ( -2.457 0.053 -0.336) 2.481 3.313 ( 15.665 -6.159 0.578) 16.842 3.842 ( -9.017 2.867 0.060) 9.462 6.149 ( 0.956 -3.015 0.530) 3.207 6.190 ( 2.549 -1.295 -1.222) 3.109 6.381 ( -3.301 4.160 1.754) 5.593 6.895 ( 8.439 -0.184 -0.345) 8.448 6.962 ( -1.565 -1.099 0.230) 1.926 7.903 ( -4.644 1.595 0.110) 4.912======================= Grid point 598 (225/344) =======================q-point: ( 0.60 0.60 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.933 ( -0.000 1.947 0.621) 2.044 2.026 ( -0.000 4.452 1.186) 4.607 2.512 ( 0.000 1.692 -0.417) 1.743 2.614 ( -0.000 0.821 1.006) 1.299 2.858 ( -0.000 -4.415 2.328) 4.991 4.150 ( 0.000 3.112 -2.581) 4.043 5.864 ( 0.000 1.099 -0.035) 1.100 6.223 ( 0.000 5.432 -0.619) 5.468 6.358 ( 0.000 1.375 -0.055) 1.376 6.554 ( -0.000 -5.670 1.199) 5.795 7.003 ( 0.000 -0.984 -1.389) 1.702 8.223 ( 0.000 0.239 -0.418) 0.481======================= Grid point 599 (226/344) =======================q-point: (-0.33 -0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.002 ( 5.226 0.691 0.533) 5.298 2.124 ( 4.149 6.494 5.267) 9.334 2.567 ( 6.066 -0.812 -1.425) 6.284 2.618 ( 0.617 -0.405 1.008) 1.249 2.813 ( -1.180 -3.855 1.048) 4.165 4.134 ( -2.079 -0.679 -3.431) 4.069 5.923 ( 6.169 -0.236 -0.244) 6.178 6.237 ( -2.932 2.469 0.702) 3.897 6.389 ( 1.984 0.731 0.423) 2.157 6.526 ( 1.806 -2.346 -0.230) 2.970 6.997 ( -0.571 1.212 -0.699) 1.511 8.195 ( -3.531 0.438 -0.127) 3.561======================= Grid point 600 (227/344) =======================q-point: (-0.27 -0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.097 ( 6.184 -1.366 0.113) 6.335 2.273 ( 4.230 4.320 4.467) 7.518 2.583 ( 0.135 -2.717 -1.182) 2.966 2.720 ( 2.591 1.377 -2.445) 3.820 2.782 ( 8.616 -4.782 3.398) 10.423 4.057 ( -3.645 -3.047 -2.868) 5.550 6.028 ( 6.916 -2.453 -0.835) 7.385 6.194 ( -2.540 -1.307 0.892) 2.993 6.423 ( 1.379 0.348 1.265) 1.903 6.590 ( 5.792 2.622 -0.040) 6.358 7.001 ( -1.025 2.351 -0.295) 2.582 8.117 ( -6.236 0.573 -0.015) 6.263======================= Grid point 601 (228/344) =======================q-point: (-0.20 -0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.166 ( 5.402 -5.029 -0.600) 7.405 2.356 ( 2.258 -0.077 2.382) 3.283 2.559 ( 0.801 -1.976 -1.392) 2.547 2.673 ( -3.381 0.004 -1.941) 3.899 3.002 ( 15.572 -4.051 2.116) 16.229 3.953 ( -4.248 -2.906 -1.101) 5.263 6.073 ( 3.151 -4.985 -1.144) 6.007 6.154 ( 0.177 -2.452 0.474) 2.503 6.454 ( 0.039 2.073 2.202) 3.025 6.746 ( 8.646 2.852 0.604) 9.124 6.997 ( -2.199 1.956 -0.476) 2.981 8.014 ( -6.566 1.336 0.107) 6.702======================= Grid point 614 (229/344) =======================q-point: (-0.33 -0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.978 ( -0.000 1.614 2.726) 3.168 2.177 ( -0.000 7.549 8.008) 11.005 2.485 ( 0.000 -3.868 -1.767) 4.252 2.607 ( -0.000 -1.723 0.720) 1.867 2.793 ( 0.000 -2.688 -0.784) 2.800 4.111 ( 0.000 -4.990 -4.421) 6.667 5.861 ( 0.000 -1.381 -0.169) 1.392 6.278 ( -0.000 -2.379 1.767) 2.963 6.359 ( -0.000 -1.261 -0.029) 1.261 6.516 ( 0.000 3.998 -0.508) 4.030 7.023 ( 0.000 3.253 -0.466) 3.287 8.231 ( 0.000 0.752 -0.110) 0.760======================= Grid point 615 (230/344) =======================q-point: (-0.27 -0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.022 ( 2.506 0.172 2.276) 3.390 2.280 ( 1.522 3.650 6.069) 7.243 2.488 ( 5.665 -6.181 -2.231) 8.676 2.614 ( 3.187 0.181 3.596) 4.809 2.757 ( -1.382 -1.375 -2.285) 3.003 4.025 ( -0.660 -8.350 -4.160) 9.352 5.889 ( 5.405 -3.200 -0.469) 6.299 6.214 ( -2.584 -4.505 0.763) 5.249 6.369 ( 2.773 -2.434 0.140) 3.692 6.592 ( 1.605 7.868 1.543) 8.177 7.052 ( -1.025 4.627 -0.520) 4.767 8.208 ( -3.648 1.067 -0.241) 3.809======================= Grid point 616 (231/344) =======================q-point: (-0.20 -0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.053 ( 2.482 -4.039 0.054) 4.741 2.318 ( 1.866 -2.846 2.258) 4.084 2.491 ( 3.495 -5.565 -2.143) 6.912 2.690 ( 0.057 -4.330 0.456) 4.354 2.791 ( 8.149 5.531 2.582) 10.181 3.920 ( 0.012 -9.678 -2.620) 10.027 5.942 ( 5.626 -5.757 -1.229) 8.143 6.137 ( -1.610 -4.113 0.572) 4.453 6.409 ( 4.436 -2.045 0.585) 4.920 6.717 ( 2.997 8.295 3.292) 9.415 7.068 ( -2.499 5.046 -1.095) 5.736 8.136 ( -6.131 1.551 -0.236) 6.329======================= Grid point 630 (232/344) =======================q-point: (-0.27 -0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.017 ( -0.000 0.446 2.417) 2.458 2.302 ( -0.000 -2.220 2.936) 3.681 2.349 ( 0.000 -8.753 -1.682) 8.914 2.619 ( -0.000 2.499 7.365) 7.777 2.756 ( 0.000 1.400 -3.583) 3.846 3.910 ( 0.000 -13.185 -4.411) 13.903 5.806 ( -0.000 -4.344 -0.208) 4.349 6.188 ( -0.000 -5.385 -0.262) 5.392 6.319 ( -0.000 -2.462 0.023) 2.462 6.670 ( -0.000 9.187 3.369) 9.785 7.112 ( 0.000 6.339 -0.806) 6.390 8.252 ( 0.000 1.723 -0.712) 1.865======================= Grid point 631 (233/344) =======================q-point: (-0.20 -0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.006 ( -0.945 -3.779 -0.784) 3.973 2.241 ( 1.106 -8.400 -0.452) 8.485 2.327 ( 5.911 -8.426 -1.003) 10.341 2.651 ( 0.182 -3.002 4.235) 5.194 2.814 ( 1.625 10.147 2.070) 10.482 3.767 ( 1.703 -16.244 -3.341) 16.671 5.794 ( 4.191 -6.432 -0.457) 7.691 6.127 ( -1.489 -3.708 -0.423) 4.018 6.322 ( 2.942 -2.178 -0.038) 3.661 6.780 ( 1.234 8.744 5.107) 10.201 7.162 ( -1.775 7.378 -1.441) 7.724 8.236 ( -3.722 2.337 -1.057) 4.520======================= Grid point 646 (234/344) =======================q-point: (-0.20 -0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.966 ( 0.000 -7.978 -5.039) 9.436 2.127 ( 0.000 -13.126 -5.264) 14.142 2.189 ( -0.000 -5.934 4.491) 7.442 2.625 ( -0.000 -4.823 1.989) 5.217 2.924 ( -0.000 12.556 5.328) 13.639 3.559 ( 0.000 -21.174 -2.583) 21.331 5.692 ( -0.000 -7.338 0.046) 7.338 6.109 ( 0.000 -1.918 -1.067) 2.195 6.281 ( -0.000 -1.274 -0.072) 1.276 6.866 ( -0.000 7.545 6.433) 9.915 7.252 ( 0.000 8.948 -1.758) 9.119 8.290 ( 0.000 3.109 -2.001) 3.697======================= Grid point 727 (235/344) =======================q-point: ( 0.20 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.619 ( -0.000 0.000 21.901) 21.901 0.619 ( -0.000 0.000 21.901) 21.901 1.078 ( -0.000 0.000 39.146) 39.146 2.068 ( 0.000 -0.000 -5.375) 5.375 2.068 ( 0.000 -0.000 -5.375) 5.375 3.889 ( 0.000 -0.000 -14.617) 14.617 5.152 ( 0.000 -0.000 -0.066) 0.066 5.152 ( 0.000 -0.000 -0.066) 0.066 6.416 ( -0.000 0.000 0.159) 0.159 6.416 ( -0.000 0.000 0.159) 0.159 8.173 ( -0.000 0.000 3.412) 3.412 8.525 ( 0.000 -0.000 -1.525) 1.525======================= Grid point 728 (236/344) =======================q-point: ( 0.27 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.667 ( 4.933 2.848 18.069) 18.945 0.846 ( 6.318 3.648 23.262) 24.379 1.436 ( 20.962 12.102 25.151) 34.906 2.073 ( 3.377 1.949 -5.745) 6.943 2.092 ( 2.033 1.174 -4.765) 5.312 3.580 ( -9.964 -5.753 -6.447) 13.189 5.188 ( 2.816 1.626 0.039) 3.252 5.964 ( 42.402 24.481 -28.369) 56.587 6.389 ( -2.629 -1.518 -0.015) 3.035 6.394 ( -1.719 -0.992 0.105) 1.988 8.140 ( -4.332 -2.501 4.097) 6.466 8.456 ( -4.840 -2.795 -1.791) 5.869======================= Grid point 729 (237/344) =======================q-point: ( 0.33 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.902 ( 11.486 6.632 10.973) 17.214 1.049 ( 6.798 3.925 18.644) 20.229 1.980 ( 20.289 11.714 -0.447) 23.432 2.130 ( 2.639 1.524 -3.969) 5.004 2.212 ( 11.612 6.704 6.655) 14.969 3.439 ( -2.226 -1.285 -6.748) 7.221 5.276 ( 5.023 2.900 0.070) 5.801 6.299 ( -4.922 -2.842 -0.643) 5.720 6.346 ( -2.497 -1.441 0.062) 2.884 6.585 ( 22.000 12.702 -19.169) 31.824 8.004 ( -9.061 -5.231 5.907) 12.014 8.326 ( -5.806 -3.352 -4.763) 8.224======================= Grid point 730 (238/344) =======================q-point: ( 0.40 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.206 ( 13.234 7.641 5.773) 16.335 1.260 ( 8.687 5.016 9.226) 13.629 2.185 ( 3.260 1.882 -2.925) 4.767 2.247 ( 9.778 5.646 -10.473) 15.400 2.639 ( 18.877 10.899 10.219) 24.074 3.428 ( 2.661 1.536 -2.764) 4.133 5.407 ( 6.758 3.902 0.115) 7.805 6.177 ( -5.482 -3.165 -0.586) 6.357 6.292 ( -2.133 -1.231 0.000) 2.463 6.896 ( 10.627 6.135 -10.601) 16.216 7.783 ( -12.467 -7.198 5.725) 15.492 8.189 ( -4.619 -2.667 -5.548) 7.696======================= Grid point 731 (239/344) =======================q-point: ( 0.47 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.488 ( 10.378 5.992 1.907) 12.135 1.500 ( 11.988 6.921 2.126) 14.005 2.258 ( 3.898 2.251 -1.558) 4.764 2.417 ( 7.781 4.493 -5.984) 10.795 2.975 ( 8.993 5.192 2.055) 10.586 3.552 ( 8.409 4.855 2.802) 10.107 5.566 ( 7.234 4.176 0.219) 8.356 6.073 ( -3.401 -1.963 -0.474) 3.955 6.260 ( -0.636 -0.367 -0.084) 0.739 7.007 ( 2.257 1.303 -7.565) 8.002 7.491 ( -14.776 -8.531 3.450) 17.407 8.117 ( -0.609 -0.352 -2.530) 2.626======================= Grid point 732 (240/344) =======================q-point: ( 0.53 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.724 ( 10.870 6.276 -2.296) 12.760 1.736 ( 8.967 5.177 -0.562) 10.370 2.347 ( 4.190 2.419 0.009) 4.838 2.551 ( 5.413 3.125 -3.457) 7.143 3.070 ( 0.238 0.137 0.397) 0.482 3.768 ( 8.926 5.153 3.981) 11.049 5.714 ( 5.800 3.349 0.299) 6.704 6.039 ( 0.618 0.357 -0.473) 0.856 6.268 ( 1.410 0.814 -0.125) 1.633 6.974 ( -2.990 -1.726 -7.455) 8.215 7.178 ( -13.362 -7.715 3.293) 15.777 8.134 ( 1.935 1.117 -0.029) 2.235======================= Grid point 733 (241/344) =======================q-point: ( 0.60 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.893 ( 5.723 3.304 -2.223) 6.973 1.949 ( 10.266 5.927 -5.006) 12.868 2.433 ( 3.162 1.826 1.259) 3.863 2.631 ( 2.599 1.501 -2.409) 3.848 3.020 ( -4.283 -2.473 0.195) 4.949 3.941 ( 5.454 3.149 4.461) 7.718 5.815 ( 3.232 1.866 0.258) 3.740 6.098 ( 4.829 2.788 -0.722) 5.622 6.314 ( 2.408 1.390 -0.055) 2.781 6.801 ( -10.381 -5.994 -3.796) 12.574 6.998 ( -3.583 -2.069 1.626) 4.446 8.180 ( 1.883 1.087 0.506) 2.233======================= Grid point 734 (242/344) =======================q-point: ( 0.67 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.983 ( 3.266 1.886 -2.790) 4.691 2.147 ( 9.137 5.275 -6.676) 12.485 2.480 ( 0.367 0.212 1.833) 1.881 2.650 ( -0.247 -0.142 -1.557) 1.583 2.906 ( -5.319 -3.071 -0.877) 6.204 4.031 ( 1.303 0.752 5.429) 5.633 5.861 ( 0.909 0.525 0.169) 1.064 6.235 ( 7.161 4.134 -1.368) 8.381 6.357 ( 1.173 0.677 0.039) 1.355 6.574 ( -8.673 -5.008 -0.078) 10.015 6.970 ( 0.259 0.150 0.719) 0.779 8.212 ( 0.871 0.503 0.296) 1.048======================= Grid point 735 (243/344) =======================q-point: (-0.27 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.026 ( 1.422 0.821 -2.424) 2.928 2.301 ( 5.515 3.184 -4.942) 8.060 2.452 ( -3.438 -1.985 1.718) 4.325 2.632 ( 0.197 0.114 -2.190) 2.202 2.797 ( -4.062 -2.345 -1.460) 4.912 4.021 ( -3.965 -2.289 5.277) 6.986 5.858 ( -1.222 -0.705 0.125) 1.416 6.299 ( -3.925 -2.266 -0.416) 4.551 6.358 ( -1.058 -0.611 0.057) 1.223 6.518 ( 6.186 3.572 -0.779) 7.185 7.007 ( 2.837 1.638 1.171) 3.479 8.225 ( 0.370 0.213 0.499) 0.657======================= Grid point 736 (244/344) =======================q-point: (-0.20 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.031 ( -0.734 -0.424 -0.624) 1.053 2.304 ( -5.042 -2.911 2.252) 6.242 2.340 ( -6.713 -3.876 0.381) 7.761 2.697 ( 2.592 1.496 -9.547) 10.006 2.730 ( 2.452 1.415 1.911) 3.416 3.874 ( -10.838 -6.257 3.809) 13.081 5.804 ( -3.739 -2.159 0.089) 4.318 6.183 ( -4.995 -2.884 1.027) 5.859 6.319 ( -2.124 -1.226 0.035) 2.453 6.703 ( 9.188 5.305 -4.049) 11.356 7.102 ( 5.323 3.073 1.621) 6.356 8.242 ( 1.149 0.663 1.400) 1.929======================= Grid point 743 (245/344) =======================q-point: ( 0.27 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.806 ( -0.000 13.387 16.681) 21.388 0.950 ( -0.000 13.788 17.066) 21.940 1.465 ( -0.000 15.984 30.241) 34.205 2.004 ( 0.000 -1.259 -6.942) 7.055 2.119 ( 0.000 6.512 -5.312) 8.404 3.557 ( 0.000 -11.812 -8.024) 14.279 5.168 ( 0.000 2.324 -0.057) 2.325 5.888 ( 0.000 46.047 -23.802) 51.835 6.383 ( -0.000 -2.882 -0.218) 2.890 6.403 ( -0.000 -1.549 0.152) 1.557 8.149 ( -0.000 -5.439 4.151) 6.842 8.463 ( 0.000 -3.796 -2.334) 4.456======================= Grid point 744 (246/344) =======================q-point: ( 0.33 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.985 ( -0.184 17.921 10.748) 20.898 1.136 ( 0.220 11.991 19.998) 23.319 1.828 ( 11.675 14.958 7.381) 20.360 2.054 ( 9.160 3.470 0.621) 9.815 2.180 ( 1.491 7.502 -3.320) 8.338 3.424 ( -1.776 -4.685 -7.975) 9.418 5.233 ( 3.714 3.609 0.044) 5.179 6.302 ( 3.235 2.686 -5.343) 6.799 6.368 ( -0.290 0.545 -1.390) 1.520 6.385 ( 9.224 16.004 -13.483) 22.870 8.060 ( -4.012 -8.854 5.230) 11.038 8.379 ( -4.745 -2.830 -4.290) 6.995======================= Grid point 745 (247/344) =======================q-point: ( 0.40 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.216 ( 4.041 17.799 6.055) 19.230 1.300 ( 0.147 11.138 16.272) 19.719 2.044 ( 9.553 2.446 -8.457) 12.991 2.229 ( 1.885 9.485 -8.163) 12.655 2.480 ( 17.755 12.876 12.683) 25.335 3.380 ( 2.038 -0.507 -5.082) 5.499 5.352 ( 5.407 5.384 0.129) 7.632 6.217 ( -4.106 -4.852 -0.537) 6.379 6.321 ( -2.208 -1.163 0.047) 2.496 6.736 ( 12.828 10.878 -11.973) 20.646 7.885 ( -7.707 -10.548 5.791) 14.290 8.242 ( -6.367 -2.103 -5.736) 8.824======================= Grid point 746 (248/344) =======================q-point: ( 0.47 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.461 ( 4.167 10.484 5.164) 12.408 1.481 ( 4.687 16.009 6.467) 17.891 2.192 ( 7.164 2.822 -3.899) 8.631 2.342 ( 4.847 7.499 -6.766) 11.203 2.870 ( 12.013 8.246 3.624) 15.014 3.464 ( 7.385 3.440 0.436) 8.158 5.510 ( 6.179 6.880 0.266) 9.251 6.104 ( -3.782 -3.854 -0.394) 5.415 6.282 ( -1.710 0.224 -0.105) 1.728 6.928 ( 6.205 2.451 -7.927) 10.361 7.637 ( -11.686 -10.481 4.079) 16.219 8.127 ( -3.090 -1.319 -3.605) 4.928======================= Grid point 747 (249/344) =======================q-point: ( 0.53 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.651 ( 5.909 9.390 3.349) 11.589 1.717 ( 4.905 13.468 0.509) 14.342 2.316 ( 4.401 5.162 -1.510) 6.949 2.479 ( 5.880 4.590 -3.952) 8.441 3.044 ( 3.733 1.580 -0.274) 4.063 3.669 ( 9.988 5.334 2.918) 11.693 5.678 ( 5.255 7.486 0.437) 9.157 6.033 ( -0.959 -1.786 -0.218) 2.038 6.274 ( -0.332 1.848 -0.233) 1.892 6.957 ( 0.318 -1.860 -7.081) 7.328 7.337 ( -13.618 -8.848 2.578) 16.444 8.101 ( 1.550 -0.964 -0.385) 1.865======================= Grid point 748 (250/344) =======================q-point: ( 0.60 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.841 ( 5.572 7.517 1.380) 9.458 1.903 ( 4.244 11.063 -3.139) 12.258 2.430 ( 2.690 6.318 0.279) 6.873 2.587 ( 4.001 2.426 -2.582) 5.344 3.052 ( -1.956 -1.837 -0.568) 2.743 3.872 ( 7.863 3.366 3.253) 9.151 5.816 ( 2.482 7.117 0.512) 7.555 6.044 ( 3.156 0.524 -0.261) 3.210 6.304 ( 1.204 2.843 -0.227) 3.096 6.872 ( -5.257 -4.149 -6.502) 9.334 7.076 ( -9.041 -4.900 3.117) 10.746 8.135 ( 3.310 -1.445 0.725) 3.684======================= Grid point 749 (251/344) =======================q-point: ( 0.67 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.967 ( 2.093 5.610 -0.777) 6.038 2.071 ( 5.810 9.043 -5.124) 11.908 2.515 ( -0.105 5.775 1.508) 5.969 2.639 ( 1.312 0.809 -1.951) 2.487 2.961 ( -5.128 -3.106 -1.357) 6.147 4.006 ( 4.491 0.805 4.483) 6.396 5.896 ( -0.678 6.234 0.408) 6.284 6.139 ( 6.574 1.776 -0.588) 6.835 6.356 ( 1.453 2.835 -0.160) 3.189 6.680 ( -9.377 -4.457 -2.147) 10.602 6.978 ( -1.571 -0.986 1.261) 2.243 8.173 ( 2.926 -2.200 0.484) 3.693======================= Grid point 750 (252/344) =======================q-point: (-0.27 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.025 ( 0.191 3.903 -1.934) 4.360 2.228 ( 5.749 6.563 -5.945) 10.558 2.534 ( -3.906 3.686 2.203) 5.805 2.641 ( -0.915 0.847 -1.539) 1.981 2.839 ( -4.869 -2.943 -1.806) 5.969 4.055 ( -0.181 -1.589 5.140) 5.383 5.918 ( -3.204 4.905 0.316) 5.867 6.252 ( 4.589 -1.404 -0.916) 4.886 6.400 ( -0.029 3.051 -0.764) 3.145 6.520 ( -4.249 0.014 0.441) 4.272 6.982 ( 1.645 0.538 0.881) 1.942 8.192 ( 2.229 -2.725 0.253) 3.529======================= Grid point 751 (253/344) =======================q-point: (-0.20 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.040 ( -0.967 1.553 -1.746) 2.529 2.320 ( 0.826 1.157 -3.071) 3.384 2.467 ( -7.759 1.214 2.421) 8.218 2.653 ( 1.330 5.269 -5.078) 7.438 2.744 ( -2.573 -2.743 0.232) 3.768 3.987 ( -6.808 -4.117 4.404) 9.093 5.885 ( -5.404 2.835 0.376) 6.114 6.217 ( -3.062 -4.641 0.005) 5.560 6.369 ( -3.696 1.210 0.075) 3.889 6.610 ( 7.299 6.206 -2.398) 9.877 7.044 ( 4.407 1.362 1.128) 4.749 8.204 ( 2.518 -2.666 0.635) 3.722======================= Grid point 759 (254/344) =======================q-point: ( 0.33 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.207 ( -0.000 18.440 10.021) 20.987 1.315 ( -0.000 15.345 10.788) 18.758 1.944 ( 0.000 -0.529 -6.773) 6.793 1.989 ( -0.000 23.376 16.007) 28.331 2.234 ( 0.000 7.890 -4.243) 8.958 3.367 ( 0.000 -4.224 -7.329) 8.459 5.242 ( 0.000 5.388 0.238) 5.393 6.282 ( 0.000 -2.857 -0.786) 2.963 6.362 ( -0.000 -2.638 -0.016) 2.638 6.445 ( 0.000 21.891 -15.057) 26.570 8.007 ( -0.000 -11.806 5.024) 12.830 8.382 ( 0.000 -2.299 -5.360) 5.833======================= Grid point 760 (255/344) =======================q-point: ( 0.40 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.381 ( -1.164 17.631 3.774) 18.068 1.505 ( -0.348 15.467 13.949) 20.831 1.933 ( 3.300 2.592 -7.532) 8.622 2.270 ( 1.539 10.398 -11.470) 15.558 2.406 ( 11.523 16.822 14.719) 25.148 3.330 ( 1.249 -0.813 -4.215) 4.471 5.334 ( 3.662 6.817 0.405) 7.749 6.220 ( -2.268 -5.166 -0.249) 5.648 6.330 ( -0.727 -2.149 -0.096) 2.270 6.652 ( 6.927 13.383 -10.053) 18.114 7.873 ( -3.125 -13.245 4.921) 14.471 8.304 ( -4.673 -1.731 -6.261) 8.002======================= Grid point 761 (256/344) =======================q-point: ( 0.47 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.539 ( 1.201 13.767 -0.309) 13.823 1.671 ( -2.197 16.955 13.164) 21.578 2.065 ( 9.682 4.501 -5.797) 12.149 2.344 ( 1.958 7.332 -8.137) 11.127 2.780 ( 10.769 11.827 4.268) 16.555 3.389 ( 5.368 3.688 0.772) 6.558 5.488 ( 5.604 8.425 0.575) 10.135 6.122 ( -3.378 -4.464 -0.394) 5.612 6.304 ( -0.747 -0.468 -0.322) 0.939 6.828 ( 6.338 4.039 -6.259) 9.781 7.684 ( -6.099 -12.992 4.157) 14.942 8.178 ( -5.835 -1.238 -5.340) 8.006======================= Grid point 762 (257/344) =======================q-point: ( 0.53 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.691 ( 3.026 11.276 0.598) 11.690 1.841 ( -0.549 16.001 7.015) 17.480 2.263 ( 8.420 6.770 -2.838) 11.171 2.436 ( 3.784 5.804 -4.683) 8.363 2.985 ( 5.354 3.239 -0.898) 6.321 3.573 ( 8.753 6.700 2.901) 11.398 5.674 ( 5.738 9.639 0.779) 11.244 6.037 ( -2.189 -2.691 -0.263) 3.479 6.299 ( -0.323 1.654 -0.598) 1.788 6.895 ( 2.603 -1.513 -5.318) 6.111 7.448 ( -9.524 -10.884 2.549) 14.686 8.084 ( -2.099 -1.465 -2.223) 3.391======================= Grid point 763 (258/344) =======================q-point: ( 0.60 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.859 ( 3.988 10.217 1.842) 11.121 1.985 ( -0.172 12.696 1.551) 12.791 2.445 ( 4.884 8.869 -0.511) 10.138 2.540 ( 3.968 3.899 -2.516) 6.105 3.043 ( 1.078 -0.715 -1.351) 1.870 3.778 ( 8.032 4.269 2.025) 9.318 5.852 ( 3.784 9.779 1.001) 10.534 6.009 ( 0.961 -0.443 -0.170) 1.072 6.321 ( 0.387 3.069 -0.724) 3.177 6.868 ( -1.020 -3.105 -5.323) 6.246 7.195 ( -10.337 -7.243 2.066) 12.790 8.065 ( 2.080 -2.684 0.120) 3.398======================= Grid point 764 (259/344) =======================q-point: ( 0.67 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.010 ( 1.997 8.549 2.289) 9.072 2.097 ( 1.054 10.332 -2.541) 10.692 2.576 ( 1.494 5.962 0.829) 6.202 2.622 ( 2.070 4.350 -1.329) 4.997 3.008 ( -3.459 -0.958 -2.311) 4.269 3.928 ( 6.529 0.500 2.648) 7.063 5.978 ( 0.439 8.325 1.038) 8.401 6.062 ( 4.374 1.895 -0.311) 4.777 6.360 ( 1.076 2.731 -0.605) 2.997 6.769 ( -6.033 -2.483 -3.828) 7.564 7.019 ( -5.015 -2.758 1.912) 6.034 8.085 ( 3.691 -4.007 0.530) 5.473======================= Grid point 765 (260/344) =======================q-point: ( 0.73 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.089 ( -1.598 6.781 0.776) 7.010 2.212 ( 3.019 8.055 -3.952) 9.466 2.608 ( -0.941 0.380 0.668) 1.215 2.681 ( -0.601 4.639 0.672) 4.726 2.915 ( -6.679 1.978 -3.539) 7.813 4.018 ( 4.014 -2.225 3.732) 5.915 6.035 ( -2.748 6.874 0.681) 7.435 6.162 ( 5.058 0.948 -0.459) 5.166 6.403 ( 1.774 1.710 -0.719) 2.567 6.630 ( -7.638 1.069 -0.745) 7.748 6.974 ( -0.196 -0.099 0.731) 0.764 8.105 ( 3.635 -4.888 0.227) 6.096======================= Grid point 766 (261/344) =======================q-point: (-0.20 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.100 ( -3.448 4.272 -0.517) 5.514 2.309 ( 2.055 4.631 -3.815) 6.342 2.570 ( -3.303 -1.178 1.843) 3.961 2.703 ( 0.145 1.477 1.503) 2.112 2.815 ( -8.548 6.156 -4.224) 11.349 4.028 ( -0.984 -3.880 3.546) 5.347 6.021 ( -5.652 4.478 0.769) 7.252 6.201 ( 0.248 -2.910 -0.566) 2.975 6.434 ( -0.719 1.632 -1.056) 2.073 6.592 ( 0.195 6.713 -0.435) 6.730 6.997 ( 2.428 0.398 0.579) 2.528 8.116 ( 3.570 -5.075 0.172) 6.207======================= Grid point 775 (262/344) =======================q-point: ( 0.40 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.587 ( -0.000 16.304 3.571) 16.691 1.643 ( 0.000 14.127 1.392) 14.195 1.920 ( 0.000 1.460 -1.523) 2.110 2.311 ( 0.000 8.073 -12.977) 15.283 2.539 ( -0.000 20.876 12.793) 24.484 3.313 ( 0.000 1.716 -0.587) 1.813 5.375 ( 0.000 8.025 0.611) 8.048 6.191 ( -0.000 -4.840 -0.247) 4.846 6.310 ( -0.000 -2.509 -0.257) 2.522 6.690 ( 0.000 9.961 -6.311) 11.792 7.776 ( -0.000 -14.538 3.919) 15.057 8.311 ( 0.000 -1.424 -6.681) 6.831======================= Grid point 776 (263/344) =======================q-point: ( 0.47 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.669 ( -2.497 11.866 -4.067) 12.789 1.864 ( 5.043 14.928 5.299) 16.624 1.961 ( 3.107 4.161 -1.360) 5.368 2.354 ( 1.347 6.106 -9.722) 11.559 2.793 ( 4.398 14.324 5.212) 15.864 3.377 ( 2.655 6.855 3.734) 8.246 5.492 ( 3.915 9.003 0.740) 9.845 6.127 ( -2.205 -3.957 -0.633) 4.574 6.293 ( 0.558 -1.345 -0.428) 1.518 6.774 ( 2.979 3.754 -3.192) 5.758 7.628 ( -2.176 -14.433 2.970) 14.896 8.241 ( -4.334 -0.950 -6.131) 7.568======================= Grid point 777 (264/344) =======================q-point: ( 0.53 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.752 ( 1.664 9.946 -3.532) 10.685 2.023 ( -1.246 10.702 6.300) 12.481 2.161 ( 11.341 9.874 -2.872) 15.309 2.422 ( 2.833 5.450 -5.436) 8.203 2.949 ( 2.881 4.416 0.630) 5.310 3.546 ( 5.191 10.355 4.273) 12.346 5.671 ( 6.111 9.891 0.847) 11.658 6.052 ( -2.603 -2.347 -0.715) 3.577 6.302 ( 1.052 0.718 -0.788) 1.498 6.825 ( 2.552 -1.275 -2.096) 3.540 7.451 ( -4.125 -12.934 1.971) 13.718 8.132 ( -5.403 -0.658 -4.117) 6.825======================= Grid point 778 (265/344) =======================q-point: ( 0.60 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.892 ( 4.148 9.771 -0.656) 10.636 2.113 ( -0.358 8.529 2.296) 8.840 2.428 ( 7.966 10.640 0.629) 13.306 2.515 ( 3.832 5.271 -3.141) 7.234 3.004 ( 2.167 -0.286 -0.201) 2.195 3.728 ( 4.639 7.313 1.736) 8.832 5.872 ( 5.742 9.994 1.023) 11.571 6.005 ( -0.973 -0.277 -0.523) 1.138 6.334 ( 1.097 2.357 -1.119) 2.830 6.826 ( 1.041 -2.852 -2.312) 3.816 7.259 ( -6.115 -9.787 1.180) 11.601 8.044 ( -2.692 -1.537 -1.497) 3.442======================= Grid point 779 (266/344) =======================q-point: ( 0.67 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.053 ( 3.793 9.082 0.814) 9.875 2.189 ( -0.417 7.849 0.605) 7.883 2.569 ( 2.643 2.541 -0.100) 3.668 2.653 ( 3.049 8.246 0.205) 8.794 3.032 ( 0.982 2.001 -1.554) 2.718 3.844 ( 4.133 1.519 0.850) 4.485 6.010 ( 1.648 2.222 0.487) 2.809 6.050 ( 3.461 8.079 0.334) 8.795 6.367 ( 0.564 1.747 -1.111) 2.146 6.803 ( -0.865 -0.479 -2.469) 2.659 7.084 ( -5.962 -5.364 1.147) 8.102 8.004 ( 0.848 -3.512 -0.014) 3.613======================= Grid point 780 (267/344) =======================q-point: ( 0.73 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.179 ( 0.806 7.612 1.247) 7.755 2.256 ( -0.079 7.418 -0.850) 7.467 2.608 ( 0.686 0.341 -0.492) 0.911 2.710 ( -0.411 -0.684 1.470) 1.673 3.069 ( -3.870 11.004 -3.104) 12.071 3.914 ( 5.283 -3.557 1.886) 6.642 6.077 ( 3.337 2.626 0.212) 4.252 6.152 ( 0.085 5.714 0.356) 5.726 6.379 ( 1.101 -0.658 -0.746) 1.484 6.766 ( -5.095 4.113 -1.213) 6.660 6.989 ( -1.934 -1.202 0.632) 2.363 7.996 ( 2.981 -5.329 0.192) 6.109======================= Grid point 781 (268/344) =======================q-point: (-0.20 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.219 ( -4.067 5.896 0.828) 7.210 2.324 ( 0.867 5.384 -1.804) 5.744 2.596 ( -1.386 -1.320 0.517) 1.983 2.681 ( 0.502 -3.951 1.004) 4.107 3.070 ( -9.716 13.847 -2.758) 17.139 3.961 ( 4.548 -5.599 2.134) 7.522 6.138 ( -2.367 3.454 0.708) 4.247 6.166 ( 0.486 -0.366 -0.441) 0.752 6.405 ( 3.244 -0.588 -1.014) 3.449 6.728 ( -5.826 8.476 0.127) 10.286 6.977 ( 0.358 0.016 -0.032) 0.359 7.999 ( 3.880 -5.928 0.043) 7.085======================= Grid point 791 (269/344) =======================q-point: ( 0.47 0.47 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.801 ( 0.000 5.585 -9.334) 10.877 1.840 ( 0.000 10.123 -6.143) 11.841 2.050 ( -0.000 9.499 7.390) 12.035 2.372 ( 0.000 5.823 -7.032) 9.130 2.901 ( -0.000 9.937 4.439) 10.883 3.461 ( -0.000 12.120 6.138) 13.586 5.545 ( 0.000 8.979 0.763) 9.011 6.112 ( 0.000 -2.738 -1.249) 3.009 6.272 ( 0.000 -1.030 -0.403) 1.106 6.771 ( 0.000 1.170 -0.316) 1.211 7.511 ( -0.000 -14.420 1.488) 14.497 8.253 ( 0.000 -0.605 -5.835) 5.866======================= Grid point 792 (270/344) =======================q-point: ( 0.53 0.47 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.802 ( -0.017 6.588 -6.420) 9.199 1.991 ( 8.394 3.905 -9.029) 12.932 2.184 ( 2.521 11.997 5.813) 13.567 2.426 ( 1.334 5.822 -2.743) 6.572 2.973 ( -0.142 2.884 3.321) 4.401 3.625 ( 1.572 14.288 4.935) 15.197 5.671 ( 4.550 8.819 0.698) 9.948 6.071 ( -1.929 -1.090 -1.590) 2.727 6.281 ( 1.539 0.463 -0.579) 1.708 6.780 ( 0.998 -1.934 1.177) 2.475 7.369 ( -1.290 -13.188 0.322) 13.255 8.199 ( -3.964 -0.137 -4.511) 6.007======================= Grid point 793 (271/344) =======================q-point: ( 0.60 0.47 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.899 ( 4.482 7.730 -2.403) 9.253 2.117 ( 6.019 2.296 -5.207) 8.283 2.407 ( 8.062 12.192 2.346) 14.804 2.502 ( 2.134 4.745 -0.928) 5.285 2.983 ( -0.088 -1.296 2.998) 3.268 3.781 ( 0.621 11.113 1.753) 11.268 5.857 ( 6.979 8.537 0.616) 11.044 6.030 ( -1.946 0.822 -1.372) 2.519 6.322 ( 2.109 1.869 -0.925) 2.967 6.773 ( 1.202 -3.478 1.265) 3.891 7.224 ( -2.138 -10.869 -0.263) 11.080 8.106 ( -5.517 0.009 -2.567) 6.085======================= Grid point 794 (272/344) =======================q-point: ( 0.67 0.47 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.059 ( 5.429 7.888 -0.109) 9.576 2.216 ( 4.159 3.387 -1.957) 5.710 2.561 ( 1.495 3.002 0.871) 3.465 2.657 ( 6.176 8.171 -0.426) 10.252 2.998 ( 3.731 -0.207 2.235) 4.354 3.856 ( -1.439 5.407 -0.387) 5.609 6.017 ( 0.369 2.643 -0.291) 2.685 6.053 ( 5.204 7.202 0.092) 8.885 6.366 ( 0.963 1.372 -1.033) 1.969 6.777 ( 2.373 -1.567 0.496) 2.887 7.095 ( -2.598 -7.354 -0.145) 7.801 8.012 ( -4.441 -0.943 -0.896) 4.628======================= Grid point 795 (273/344) =======================q-point: ( 0.73 0.47 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.208 ( 3.774 6.598 0.124) 7.603 2.308 ( 2.361 4.871 -0.155) 5.415 2.600 ( 0.830 1.012 0.097) 1.312 2.710 ( -1.676 -2.549 0.456) 3.084 3.158 ( 7.088 10.489 0.041) 12.660 3.844 ( -1.471 -1.486 -0.222) 2.103 6.059 ( 1.814 3.357 -0.157) 3.819 6.184 ( 2.782 4.838 0.381) 5.593 6.362 ( -0.858 -1.472 -0.611) 1.810 6.829 ( 2.269 3.374 -0.315) 4.078 7.006 ( -1.900 -3.057 0.232) 3.607 7.939 ( -1.837 -2.979 -0.101) 3.501======================= Grid point 796 (274/344) =======================q-point: ( 0.80 0.47 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.303 ( 0.872 4.868 -0.237) 4.952 2.380 ( -0.322 5.819 0.623) 5.861 2.604 ( -1.356 -1.371 -0.089) 1.931 2.631 ( -0.344 -5.652 0.283) 5.669 3.334 ( -3.246 15.843 -1.278) 16.223 3.809 ( 4.054 -8.233 0.931) 9.224 6.130 ( 2.514 2.736 -0.023) 3.716 6.228 ( -2.421 2.616 0.169) 3.569 6.335 ( 2.035 -3.191 -0.370) 3.803 6.882 ( -2.122 6.528 0.292) 6.870 6.977 ( -0.260 -0.186 -0.359) 0.480 7.898 ( 1.304 -4.412 0.026) 4.601======================= Grid point 807 (275/344) =======================q-point: ( 0.53 0.53 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.837 ( 0.000 3.610 -5.651) 6.706 1.914 ( 0.000 4.328 -11.030) 11.849 2.274 ( -0.000 9.403 3.889) 10.175 2.471 ( 0.000 6.037 0.148) 6.039 3.000 ( -0.000 -0.632 4.327) 4.373 3.772 ( -0.000 14.909 3.538) 15.323 5.709 ( 0.000 7.236 0.520) 7.254 6.080 ( 0.000 0.699 -2.286) 2.390 6.272 ( 0.000 1.362 -0.308) 1.397 6.754 ( -0.000 -3.371 3.177) 4.632 7.256 ( -0.000 -11.842 -1.233) 11.906 8.221 ( 0.000 0.168 -3.763) 3.767======================= Grid point 808 (276/344) =======================q-point: ( 0.60 0.53 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.887 ( 3.504 5.505 -2.356) 6.938 1.986 ( 7.017 1.859 -8.480) 11.162 2.406 ( 4.747 8.607 2.008) 10.032 2.531 ( 0.418 4.829 1.260) 5.008 2.985 ( -0.906 -3.326 4.321) 5.527 3.905 ( -0.865 11.972 0.903) 12.038 5.820 ( 5.441 6.013 0.278) 8.114 6.073 ( -1.722 2.545 -2.094) 3.719 6.306 ( 1.746 2.360 -0.401) 2.963 6.729 ( 0.417 -4.731 3.609) 5.965 7.143 ( -0.638 -9.395 -1.942) 9.615 8.183 ( -3.705 0.482 -2.439) 4.461======================= Grid point 809 (277/344) =======================q-point: ( 0.67 0.53 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.031 ( 6.000 6.832 0.246) 9.096 2.112 ( 8.628 0.984 -4.479) 9.771 2.578 ( 0.576 2.864 0.864) 3.046 2.604 ( 8.354 7.306 0.223) 11.100 2.948 ( 0.451 -4.317 4.302) 6.112 3.964 ( -3.332 7.540 -1.285) 8.343 5.988 ( 7.459 4.651 0.014) 8.790 6.071 ( -1.250 4.290 -1.287) 4.650 6.358 ( 1.542 2.174 -0.481) 2.709 6.710 ( 2.250 -4.697 2.767) 5.897 7.050 ( -0.793 -6.174 -1.576) 6.421 8.101 ( -5.862 0.501 -1.146) 5.994======================= Grid point 810 (278/344) =======================q-point: ( 0.73 0.53 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.186 ( 5.499 4.936 -0.322) 7.396 2.256 ( 7.158 2.461 -0.788) 7.610 2.603 ( 0.137 0.913 0.678) 1.146 2.720 ( -0.863 -0.687 -0.789) 1.356 3.041 ( 12.661 2.161 3.231) 13.244 3.930 ( -6.326 3.204 -1.826) 7.322 6.080 ( 0.337 4.112 -0.427) 4.147 6.154 ( 4.931 2.837 -0.055) 5.689 6.376 ( -1.178 0.521 -0.081) 1.290 6.756 ( 6.762 -1.657 0.999) 7.034 6.994 ( -0.481 -2.642 -0.518) 2.735 7.998 ( -6.262 -0.211 -0.338) 6.274======================= Grid point 823 (279/344) =======================q-point: ( 0.60 0.60 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.882 ( 0.000 3.307 -1.503) 3.633 1.939 ( 0.000 4.366 -4.777) 6.472 2.437 ( -0.000 5.924 0.944) 5.999 2.575 ( -0.000 3.724 1.657) 4.076 2.965 ( -0.000 -4.965 3.992) 6.370 4.020 ( 0.000 9.606 -0.928) 9.651 5.817 ( 0.000 3.881 0.113) 3.882 6.116 ( 0.000 4.431 -2.013) 4.867 6.315 ( 0.000 2.765 -0.110) 2.767 6.685 ( -0.000 -6.220 3.870) 7.326 7.065 ( 0.000 -6.426 -2.584) 6.926 8.213 ( 0.000 0.570 -1.678) 1.772======================= Grid point 824 (280/344) =======================q-point: ( 0.67 0.60 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.974 ( 7.005 2.335 -0.792) 7.426 2.012 ( 3.733 6.057 0.331) 7.122 2.532 ( 5.585 4.032 -0.399) 6.900 2.607 ( 0.030 2.053 1.615) 2.612 2.917 ( -0.741 -5.653 3.390) 6.633 4.073 ( -2.066 5.906 -2.682) 6.808 5.901 ( 6.078 2.556 -0.124) 6.594 6.143 ( -1.873 5.559 -1.041) 5.958 6.355 ( 1.524 2.528 -0.091) 2.953 6.635 ( 0.893 -6.952 2.625) 7.485 7.008 ( -0.370 -3.170 -1.970) 3.750 8.185 ( -3.542 0.645 -0.838) 3.696======================= Grid point 825 (281/344) =======================q-point: (-0.27 -0.40 -0.80)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.101 ( 7.201 0.851 -1.865) 7.487 2.179 ( 6.468 6.209 3.620) 9.670 2.610 ( 0.047 -0.082 0.194) 0.216 2.690 ( 5.899 2.214 -1.294) 6.433 2.882 ( 4.267 -4.822 3.932) 7.545 4.049 ( -4.537 2.651 -3.172) 6.138 6.040 ( 7.456 1.059 -0.493) 7.547 6.159 ( -1.727 4.508 0.003) 4.827 6.398 ( 0.440 2.027 0.408) 2.114 6.622 ( 4.891 -4.956 0.942) 7.027 6.981 ( -0.290 -0.605 -0.861) 1.091 8.108 ( -6.122 0.529 -0.278) 6.151======================= Grid point 839 (282/344) =======================q-point: (-0.33 -0.33 -0.80)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.943 ( -0.000 2.838 1.586) 3.251 2.048 ( -0.000 7.407 3.843) 8.345 2.506 ( 0.000 1.135 -1.012) 1.521 2.624 ( -0.000 0.472 1.326) 1.408 2.878 ( -0.000 -5.561 2.139) 5.958 4.120 ( 0.000 2.450 -4.149) 4.818 5.863 ( 0.000 1.052 -0.099) 1.056 6.221 ( 0.000 6.619 0.112) 6.620 6.358 ( 0.000 1.382 -0.059) 1.383 6.564 ( -0.000 -7.134 0.978) 7.201 6.991 ( 0.000 -0.347 -1.447) 1.488 8.219 ( 0.000 0.584 -0.427) 0.723======================= Grid point 840 (283/344) =======================q-point: (-0.27 -0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.010 ( 4.159 1.598 1.406) 4.671 2.175 ( 3.682 7.910 6.057) 10.621 2.553 ( 5.594 -1.209 -1.900) 6.031 2.628 ( 0.966 -0.463 1.345) 1.719 2.824 ( -0.714 -5.154 1.484) 5.411 4.099 ( -1.728 -0.887 -4.613) 5.006 5.921 ( 6.017 -0.305 -0.308) 6.033 6.244 ( -3.199 3.152 0.889) 4.578 6.394 ( 2.301 1.132 0.621) 2.639 6.523 ( 1.957 -3.209 -0.347) 3.775 6.990 ( -0.468 1.582 -0.871) 1.866 8.194 ( -3.507 0.552 -0.199) 3.556======================= Grid point 855 (284/344) =======================q-point: (-0.27 -0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.003 ( -0.000 1.873 2.827) 3.391 2.246 ( -0.000 8.115 7.384) 10.971 2.468 ( 0.000 -4.078 -1.916) 4.506 2.616 ( -0.000 -1.208 1.426) 1.869 2.790 ( -0.000 -4.103 0.176) 4.107 4.068 ( 0.000 -4.932 -5.256) 7.207 5.859 ( 0.000 -1.412 -0.161) 1.421 6.292 ( -0.000 -3.148 1.226) 3.378 6.359 ( -0.000 -1.236 -0.047) 1.237 6.515 ( 0.000 5.309 0.104) 5.310 7.017 ( 0.000 3.402 -0.888) 3.516 8.229 ( 0.000 0.664 -0.330) 0.741======================= Grid point 968 (285/344) =======================q-point: ( 0.27 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.803 ( -0.000 0.000 19.878) 19.878 0.803 ( -0.000 0.000 19.878) 19.878 1.412 ( -0.000 0.000 36.684) 36.684 2.015 ( 0.000 -0.000 -6.661) 6.661 2.015 ( 0.000 -0.000 -6.661) 6.661 3.745 ( 0.000 -0.000 -17.852) 17.852 5.151 ( 0.000 0.000 -0.066) 0.066 5.151 ( 0.000 -0.000 -0.066) 0.066 6.417 ( -0.000 0.000 0.165) 0.165 6.417 ( -0.000 0.000 0.165) 0.165 8.206 ( -0.000 0.000 3.875) 3.875 8.510 ( 0.000 -0.000 -1.938) 1.938======================= Grid point 969 (286/344) =======================q-point: ( 0.33 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.828 ( 2.741 1.583 18.228) 18.501 1.042 ( 7.832 4.522 21.063) 22.923 1.642 ( 11.374 6.567 20.216) 24.107 2.033 ( 5.765 3.328 -2.238) 7.023 2.043 ( 2.481 1.433 -6.179) 6.811 3.503 ( -8.897 -5.137 -10.988) 15.043 5.188 ( 2.829 1.634 -0.164) 3.271 5.764 ( 38.562 22.264 -17.827) 47.964 6.389 ( -2.770 -1.599 -0.089) 3.199 6.395 ( -1.733 -1.000 0.197) 2.011 8.177 ( -3.817 -2.204 4.341) 6.186 8.437 ( -5.448 -3.145 -2.455) 6.753======================= Grid point 970 (287/344) =======================q-point: ( 0.40 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.010 ( 8.868 5.120 13.307) 16.791 1.228 ( 3.578 2.066 21.496) 21.889 1.923 ( 12.236 7.064 -10.435) 17.564 2.089 ( 3.192 1.843 -5.462) 6.589 2.310 ( 16.583 9.574 13.376) 23.358 3.370 ( -0.989 -0.571 -8.698) 8.773 5.275 ( 5.059 2.921 -0.274) 5.848 6.292 ( -4.055 -2.341 -1.112) 4.812 6.347 ( -2.526 -1.458 0.223) 2.925 6.434 ( 24.202 13.973 -14.874) 31.657 8.056 ( -8.593 -4.961 6.005) 11.598 8.284 ( -6.708 -3.873 -4.826) 9.126======================= Grid point 971 (288/344) =======================q-point: ( 0.47 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.269 ( 11.132 6.427 8.513) 15.417 1.361 ( 4.625 2.670 13.144) 14.188 2.153 ( 3.947 2.279 -4.426) 6.353 2.156 ( 11.666 6.735 -9.902) 16.718 2.720 ( 15.540 8.972 7.835) 19.580 3.397 ( 5.145 2.970 -4.090) 7.212 5.407 ( 6.842 3.950 -0.272) 7.905 6.173 ( -5.428 -3.134 -0.285) 6.274 6.293 ( -2.187 -1.263 0.198) 2.533 6.805 ( 12.363 7.138 -9.878) 17.360 7.829 ( -13.288 -7.672 4.577) 16.011 8.148 ( -3.813 -2.202 -3.459) 5.599======================= Grid point 972 (289/344) =======================q-point: ( 0.53 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.525 ( 7.600 4.388 6.309) 10.808 1.530 ( 10.312 5.953 4.562) 12.751 2.238 ( 4.729 2.730 -2.935) 6.200 2.367 ( 9.101 5.254 -5.249) 11.746 2.989 ( 7.388 4.265 0.966) 8.585 3.567 ( 9.960 5.750 0.618) 11.517 5.566 ( 7.342 4.239 -0.122) 8.479 6.071 ( -3.382 -1.953 0.140) 3.908 6.260 ( -0.700 -0.404 0.106) 0.816 6.938 ( 2.697 1.557 -7.895) 8.487 7.516 ( -15.198 -8.775 2.189) 17.685 8.107 ( 0.277 0.160 0.249) 0.405======================= Grid point 973 (290/344) =======================q-point: ( 0.60 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.722 ( 8.856 5.113 1.840) 10.390 1.739 ( 7.702 4.447 1.290) 8.987 2.342 ( 5.005 2.890 -1.079) 5.879 2.521 ( 5.930 3.424 -3.154) 7.539 3.069 ( 0.238 0.137 -0.662) 0.717 3.794 ( 9.440 5.450 2.068) 11.094 5.716 ( 5.867 3.387 0.070) 6.775 6.038 ( 0.492 0.284 0.392) 0.690 6.268 ( 1.382 0.798 0.009) 1.596 6.908 ( -2.959 -1.708 -7.502) 8.244 7.205 ( -12.696 -7.330 2.766) 14.919 8.141 ( 2.029 1.171 1.565) 2.817======================= Grid point 974 (291/344) =======================q-point: ( 0.67 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.878 ( 4.990 2.881 -1.056) 5.858 1.917 ( 8.641 4.989 -2.147) 10.206 2.441 ( 3.706 2.140 0.538) 4.313 2.610 ( 2.884 1.665 -2.332) 4.066 3.014 ( -4.380 -2.529 -1.413) 5.251 3.977 ( 6.137 3.543 3.705) 7.997 5.817 ( 3.231 1.865 0.154) 3.734 6.096 ( 4.529 2.615 0.191) 5.233 6.314 ( 2.430 1.403 0.004) 2.806 6.763 ( -8.126 -4.692 -4.667) 10.480 7.017 ( -4.719 -2.724 2.549) 6.016 8.188 ( 1.626 0.939 1.095) 2.173======================= Grid point 975 (292/344) =======================q-point: ( 0.73 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.960 ( 3.016 1.741 -2.349) 4.200 2.091 ( 8.256 4.767 -5.745) 11.131 2.495 ( 0.595 0.343 1.510) 1.658 2.637 ( 0.091 0.053 -1.535) 1.539 2.895 ( -5.345 -3.086 -1.669) 6.393 4.079 ( 1.628 0.940 5.184) 5.514 5.862 ( 0.896 0.517 0.147) 1.045 6.225 ( 6.577 3.797 -0.809) 7.638 6.357 ( 1.190 0.687 0.054) 1.376 6.571 ( -7.498 -4.329 -0.599) 8.679 6.979 ( 0.107 0.062 1.212) 1.218 8.215 ( 0.738 0.426 0.390) 0.938======================= Grid point 984 (293/344) =======================q-point: ( 0.33 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.959 ( -0.000 10.208 17.771) 20.494 1.089 ( -0.000 11.712 14.200) 18.407 1.714 ( -0.000 10.590 25.354) 27.477 1.941 ( 0.000 -1.287 -7.076) 7.192 2.074 ( 0.000 7.238 -4.162) 8.349 3.468 ( 0.000 -9.924 -12.022) 15.589 5.168 ( 0.000 2.380 0.143) 2.384 5.720 ( 0.000 41.793 -14.768) 44.325 6.382 ( -0.000 -3.267 -0.054) 3.268 6.404 ( -0.000 -1.584 0.053) 1.585 8.186 ( -0.000 -4.966 4.323) 6.584 8.440 ( 0.000 -4.761 -2.892) 5.571======================= Grid point 985 (294/344) =======================q-point: ( 0.40 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.090 ( -1.111 13.834 12.683) 18.801 1.306 ( 3.533 10.006 18.346) 21.194 1.827 ( 1.503 6.298 -5.551) 8.528 2.051 ( 6.270 6.094 -4.642) 9.900 2.209 ( 9.556 10.159 11.042) 17.789 3.345 ( -1.224 -3.261 -9.671) 10.279 5.233 ( 3.592 3.767 0.031) 5.205 6.202 ( 16.036 25.691 -13.091) 32.993 6.329 ( -1.377 -2.421 -1.450) 3.140 6.371 ( -1.717 -1.867 0.057) 2.537 8.106 ( -3.568 -8.545 5.381) 10.710 8.339 ( -5.140 -3.988 -4.724) 8.040======================= Grid point 986 (295/344) =======================q-point: ( 0.47 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.276 ( 3.639 13.456 7.716) 15.932 1.453 ( -2.228 9.470 17.692) 20.190 1.965 ( 10.889 4.521 -9.195) 14.952 2.155 ( 2.674 8.308 -8.613) 12.262 2.581 ( 14.998 10.750 10.015) 20.995 3.332 ( 3.419 1.763 -5.689) 6.867 5.353 ( 5.315 5.637 -0.113) 7.748 6.214 ( -4.113 -4.806 -0.224) 6.330 6.322 ( -2.181 -1.296 0.100) 2.539 6.641 ( 13.921 13.031 -9.541) 21.322 7.934 ( -7.972 -11.033 5.234) 14.584 8.195 ( -5.778 -2.283 -4.867) 7.893======================= Grid point 987 (296/344) =======================q-point: ( 0.53 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.487 ( 5.631 10.051 3.535) 12.051 1.577 ( -0.019 12.708 12.447) 17.788 2.155 ( 8.504 3.459 -4.395) 10.179 2.283 ( 5.990 8.403 -6.391) 12.138 2.894 ( 9.957 6.047 1.818) 11.791 3.461 ( 8.749 5.486 -0.850) 10.362 5.511 ( 6.140 7.188 -0.078) 9.454 6.103 ( -3.679 -3.879 0.132) 5.348 6.282 ( -1.685 0.025 0.054) 1.687 6.861 ( 6.261 3.484 -7.118) 10.100 7.666 ( -12.527 -10.744 2.380) 16.674 8.106 ( -1.477 -1.367 -0.918) 2.212======================= Grid point 988 (297/344) =======================q-point: ( 0.60 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.678 ( 5.877 8.585 2.860) 10.790 1.748 ( 1.766 12.161 6.273) 13.797 2.298 ( 5.321 5.705 -2.596) 8.221 2.446 ( 6.506 5.171 -3.350) 8.960 3.039 ( 3.654 1.094 -1.076) 3.963 3.685 ( 10.336 5.892 0.755) 11.922 5.681 ( 5.230 7.797 0.098) 9.389 6.035 ( -0.908 -1.916 0.574) 2.196 6.272 ( -0.289 1.642 -0.029) 1.667 6.896 ( 0.007 -1.300 -6.720) 6.845 7.356 ( -13.378 -8.720 1.654) 16.054 8.106 ( 2.250 -1.251 1.592) 3.027======================= Grid point 989 (298/344) =======================q-point: ( 0.67 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.860 ( 5.118 7.667 2.392) 9.523 1.888 ( 1.559 9.817 0.431) 9.949 2.429 ( 3.427 6.874 -0.542) 7.700 2.565 ( 4.160 2.711 -2.405) 5.517 3.041 ( -1.956 -2.092 -1.918) 3.447 3.895 ( 8.654 3.647 2.001) 9.602 5.820 ( 2.398 7.376 0.264) 7.761 6.046 ( 3.043 0.281 0.695) 3.134 6.303 ( 1.284 2.701 -0.053) 2.991 6.816 ( -4.609 -3.246 -6.030) 8.255 7.102 ( -8.879 -5.136 2.762) 10.623 8.145 ( 3.216 -1.806 1.589) 4.016======================= Grid point 990 (299/344) =======================q-point: ( 0.73 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.966 ( 0.226 6.149 0.616) 6.184 2.032 ( 4.921 8.377 -3.626) 10.371 2.526 ( 0.275 6.248 0.977) 6.330 2.623 ( 1.531 0.975 -1.866) 2.603 2.943 ( -4.980 -3.409 -2.539) 6.547 4.044 ( 5.301 0.875 3.857) 6.614 5.899 ( -0.796 6.401 0.289) 6.457 6.137 ( 6.214 1.526 0.230) 6.402 6.355 ( 1.480 2.674 -0.056) 3.057 6.659 ( -7.782 -3.550 -2.601) 8.940 6.992 ( -2.111 -1.425 1.812) 3.125 8.178 ( 2.689 -2.438 0.712) 3.698======================= Grid point 1000 (300/344) =======================q-point: ( 0.40 0.40 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.307 ( -0.000 14.807 12.652) 19.476 1.389 ( -0.000 12.982 5.471) 14.087 1.895 ( 0.000 0.326 -3.946) 3.959 2.036 ( 0.000 14.125 -6.325) 15.477 2.271 ( -0.000 12.403 13.256) 18.153 3.299 ( 0.000 -1.790 -7.928) 8.127 5.246 ( 0.000 5.479 0.527) 5.504 6.272 ( 0.000 5.769 -1.936) 6.085 6.337 ( 0.000 16.176 -8.975) 18.499 6.361 ( -0.000 -2.701 -0.172) 2.706 8.052 ( -0.000 -11.907 5.179) 12.985 8.332 ( 0.000 -3.285 -5.846) 6.706======================= Grid point 1001 (301/344) =======================q-point: ( 0.47 0.40 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.417 ( -2.265 13.582 3.826) 14.291 1.615 ( 4.585 12.715 10.435) 17.076 1.877 ( 0.642 4.267 -4.413) 6.172 2.161 ( 3.027 9.608 -12.930) 16.391 2.528 ( 8.580 14.288 12.720) 20.965 3.293 ( 1.708 2.481 -3.994) 5.002 5.338 ( 3.551 6.983 0.499) 7.850 6.219 ( -2.387 -5.306 -0.127) 5.819 6.329 ( -0.687 -2.262 -0.219) 2.374 6.578 ( 7.239 16.088 -6.659) 18.856 7.916 ( -3.010 -13.896 4.823) 15.014 8.248 ( -4.409 -2.040 -6.304) 7.959======================= Grid point 1002 (302/344) =======================q-point: ( 0.53 0.40 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.537 ( 1.812 11.219 -0.011) 11.364 1.788 ( -2.672 14.828 12.935) 19.858 2.016 ( 10.650 5.176 -5.318) 12.981 2.267 ( 3.737 8.427 -8.633) 12.630 2.815 ( 8.096 9.012 3.388) 12.579 3.394 ( 5.832 6.646 0.300) 8.847 5.492 ( 5.517 8.684 0.360) 10.294 6.120 ( -3.272 -4.596 -0.162) 5.644 6.301 ( -0.724 -0.687 -0.264) 1.032 6.781 ( 5.910 5.613 -4.153) 9.147 7.717 ( -6.519 -13.634 3.167) 15.440 8.136 ( -4.478 -1.239 -4.020) 6.144======================= Grid point 1003 (303/344) =======================q-point: ( 0.60 0.40 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.693 ( 4.329 10.382 0.397) 11.256 1.915 ( -2.444 13.606 9.238) 16.626 2.235 ( 9.203 7.731 -3.543) 12.531 2.397 ( 4.969 6.612 -3.995) 9.185 2.978 ( 4.738 2.762 -0.912) 5.559 3.591 ( 8.308 7.475 1.043) 11.224 5.678 ( 5.712 9.942 0.344) 11.471 6.037 ( -1.991 -2.883 0.227) 3.511 6.295 ( -0.264 1.350 -0.303) 1.409 6.854 ( 1.731 -0.513 -4.028) 4.415 7.465 ( -9.883 -11.022 1.294) 14.861 8.073 ( -0.551 -1.817 -0.368) 1.934======================= Grid point 1004 (304/344) =======================q-point: ( 0.67 0.40 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.870 ( 4.642 9.895 1.063) 10.981 2.015 ( -2.163 10.947 4.974) 12.218 2.439 ( 5.433 10.229 -1.016) 11.627 2.518 ( 4.280 4.106 -2.333) 6.374 3.029 ( 0.810 -0.785 -2.008) 2.303 3.791 ( 8.272 4.397 0.754) 9.398 5.858 ( 3.782 10.120 0.459) 10.814 6.011 ( 1.045 -0.761 0.598) 1.424 6.316 ( 0.511 2.769 -0.244) 2.826 6.825 ( -1.681 -2.176 -4.359) 5.154 7.210 ( -9.860 -7.310 1.379) 12.351 8.071 ( 2.612 -3.183 1.198) 4.288======================= Grid point 1005 (305/344) =======================q-point: ( 0.73 0.40 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.028 ( 2.839 8.442 1.330) 9.006 2.087 ( -1.786 9.746 0.801) 9.941 2.581 ( 1.924 4.293 0.171) 4.708 2.611 ( 2.058 7.292 -1.131) 7.661 2.982 ( -3.706 -1.449 -3.446) 5.263 3.949 ( 7.397 0.508 2.119) 7.711 5.985 ( 0.264 8.624 0.557) 8.646 6.063 ( 4.363 1.490 0.553) 4.643 6.357 ( 1.188 2.488 -0.112) 2.759 6.737 ( -5.387 -1.322 -3.464) 6.540 7.035 ( -5.126 -3.306 1.808) 6.362 8.092 ( 3.606 -4.372 0.907) 5.739======================= Grid point 1016 (306/344) =======================q-point: ( 0.47 0.47 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.617 ( 0.000 10.349 -6.657) 12.305 1.618 ( -0.000 11.723 3.109) 12.128 1.937 ( -0.000 4.593 4.879) 6.701 2.189 ( 0.000 10.411 -13.804) 17.290 2.650 ( -0.000 16.178 11.735) 19.987 3.309 ( 0.000 5.583 -0.227) 5.587 5.381 ( 0.000 8.069 0.826) 8.111 6.188 ( -0.000 -5.166 -0.519) 5.192 6.307 ( 0.000 -2.559 -0.388) 2.588 6.650 ( 0.000 12.315 -2.756) 12.619 7.810 ( -0.000 -15.460 3.798) 15.920 8.250 ( 0.000 -1.370 -6.866) 7.001======================= Grid point 1017 (307/344) =======================q-point: ( 0.53 0.47 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.627 ( -1.515 9.334 -5.397) 10.888 1.854 ( 11.200 8.392 -5.671) 15.100 1.998 ( -1.678 8.633 7.618) 11.635 2.272 ( 2.324 8.990 -8.052) 12.291 2.841 ( 2.418 11.334 5.309) 12.747 3.407 ( 2.519 9.630 3.085) 10.421 5.498 ( 3.858 9.051 0.729) 9.866 6.121 ( -2.075 -4.285 -0.848) 4.835 6.289 ( 0.516 -1.435 -0.460) 1.593 6.758 ( 2.513 5.272 -0.226) 5.844 7.652 ( -2.111 -15.475 2.562) 15.827 8.188 ( -3.770 -0.522 -5.862) 6.989======================= Grid point 1018 (308/344) =======================q-point: ( 0.60 0.47 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.722 ( 3.391 9.540 -2.960) 10.549 2.046 ( 4.257 3.898 -2.396) 6.249 2.158 ( 7.383 14.145 3.073) 16.249 2.383 ( 3.295 7.280 -3.027) 8.545 2.958 ( 1.613 4.542 1.263) 4.983 3.577 ( 4.257 10.595 2.613) 11.713 5.677 ( 6.097 9.971 0.480) 11.697 6.046 ( -2.289 -2.657 -0.659) 3.568 6.296 ( 1.005 0.531 -0.514) 1.247 6.816 ( 1.474 -0.221 0.054) 1.491 7.465 ( -4.163 -13.693 1.189) 14.361 8.100 ( -4.204 -0.373 -3.177) 5.282======================= Grid point 1019 (309/344) =======================q-point: ( 0.67 0.47 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.887 ( 5.176 9.753 -0.361) 11.047 2.129 ( 1.160 5.611 1.075) 5.830 2.434 ( 8.111 12.923 0.676) 15.272 2.492 ( 3.393 5.128 -1.720) 6.385 3.004 ( 1.127 0.556 -0.036) 1.257 3.738 ( 4.155 6.936 0.601) 8.108 5.878 ( 5.840 10.131 0.328) 11.698 6.002 ( -0.653 -0.613 -0.141) 0.907 6.327 ( 1.126 2.102 -0.408) 2.419 6.812 ( -0.152 -1.873 -0.801) 2.042 7.266 ( -5.969 -10.102 0.403) 11.741 8.035 ( -1.634 -1.719 -0.532) 2.431======================= Grid point 1020 (310/344) =======================q-point: ( 0.73 0.47 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.057 ( 4.140 8.961 0.254) 9.875 2.200 ( -0.247 6.588 1.690) 6.805 2.566 ( 2.137 2.495 -0.434) 3.314 2.655 ( 3.758 9.330 0.165) 10.059 3.016 ( -0.417 2.463 -2.023) 3.215 3.851 ( 4.736 1.257 0.672) 4.945 6.014 ( 1.822 1.544 0.411) 2.423 6.052 ( 3.536 8.531 0.168) 9.236 6.361 ( 0.669 1.536 -0.070) 1.677 6.786 ( -1.587 0.506 -1.533) 2.264 7.092 ( -5.578 -5.659 0.628) 7.971 8.006 ( 1.206 -3.841 0.480) 4.055======================= Grid point 1032 (311/344) =======================q-point: ( 0.53 0.53 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.720 ( 0.000 6.520 -9.042) 11.147 1.772 ( 0.000 6.793 -9.119) 11.371 2.111 ( -0.000 8.656 6.534) 10.845 2.324 ( 0.000 9.191 -3.544) 9.850 2.941 ( -0.000 8.367 4.338) 9.424 3.509 ( -0.000 12.989 4.735) 13.825 5.552 ( 0.000 8.904 0.785) 8.938 6.099 ( 0.000 -3.154 -1.561) 3.519 6.268 ( 0.000 -1.010 -0.435) 1.100 6.782 ( -0.000 2.218 2.671) 3.472 7.523 ( -0.000 -15.624 1.126) 15.665 8.202 ( 0.000 0.191 -5.760) 5.763======================= Grid point 1033 (312/344) =======================q-point: ( 0.60 0.53 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.749 ( 1.450 7.583 -5.470) 9.462 1.905 ( 9.550 3.765 -10.152) 14.438 2.231 ( 2.401 10.116 4.973) 11.525 2.414 ( 1.245 7.767 -0.141) 7.867 3.002 ( -0.687 3.249 3.015) 4.485 3.661 ( 0.947 13.386 3.281) 13.815 5.677 ( 4.507 8.715 0.503) 9.824 6.056 ( -1.655 -1.422 -1.644) 2.732 6.276 ( 1.422 0.468 -0.437) 1.560 6.801 ( 0.363 -1.240 3.597) 3.822 7.370 ( -1.083 -14.294 -0.146) 14.335 8.160 ( -3.488 0.707 -4.194) 5.501======================= Grid point 1034 (313/344) =======================q-point: ( 0.67 0.53 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.881 ( 5.524 8.594 -1.559) 10.335 2.066 ( 8.769 2.188 -6.093) 10.900 2.427 ( 7.301 11.207 1.834) 13.500 2.502 ( 1.420 5.490 1.077) 5.772 3.008 ( -0.728 -0.326 2.617) 2.736 3.791 ( 0.006 10.068 0.555) 10.083 5.860 ( 7.006 8.464 0.079) 10.988 6.019 ( -1.558 0.598 -1.118) 2.009 6.317 ( 2.015 1.821 -0.355) 2.739 6.792 ( 0.130 -2.877 2.974) 4.140 7.220 ( -1.744 -11.607 -0.781) 11.764 8.086 ( -4.821 0.502 -2.055) 5.265======================= Grid point 1048 (314/344) =======================q-point: ( 0.60 0.60 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.792 ( 0.000 5.399 -4.550) 7.060 1.824 ( 0.000 5.547 -9.169) 10.717 2.305 ( -0.000 8.073 3.069) 8.637 2.478 ( -0.000 6.906 1.494) 7.066 3.034 ( -0.000 -0.213 3.276) 3.283 3.796 ( -0.000 13.338 1.861) 13.467 5.713 ( 0.000 7.071 0.379) 7.081 6.061 ( 0.000 0.524 -2.039) 2.105 6.270 ( 0.000 1.449 -0.248) 1.470 6.792 ( -0.000 -3.162 5.252) 6.130 7.244 ( 0.000 -12.832 -1.707) 12.945 8.189 ( 0.000 1.171 -3.554) 3.742======================= Grid point 1049 (315/344) =======================q-point: (-0.33 -0.40 -0.73)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.872 ( 4.133 7.524 -1.087) 8.653 1.921 ( 7.470 3.347 -6.150) 10.238 2.420 ( 4.451 7.453 1.327) 8.782 2.545 ( 0.344 5.041 1.967) 5.422 3.018 ( -0.936 -3.013 3.215) 4.504 3.906 ( -1.109 10.544 -0.555) 10.617 5.821 ( 5.368 5.874 0.010) 7.957 6.056 ( -1.474 2.605 -1.556) 3.374 6.303 ( 1.646 2.424 -0.172) 2.935 6.767 ( -0.028 -4.974 5.050) 7.088 7.124 ( -0.325 -9.899 -2.377) 10.185 8.162 ( -3.452 1.291 -2.179) 4.281======================= Grid point 1064 (316/344) =======================q-point: (-0.33 -0.33 -0.73)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.875 ( 0.000 4.620 -0.234) 4.625 1.912 ( 0.000 7.364 -1.262) 7.472 2.443 ( 0.000 5.056 0.212) 5.061 2.591 ( -0.000 3.578 2.064) 4.131 2.995 ( -0.000 -5.111 2.829) 5.842 4.005 ( 0.000 8.262 -2.455) 8.619 5.818 ( 0.000 3.784 -0.023) 3.784 6.102 ( 0.000 4.826 -1.177) 4.967 6.314 ( 0.000 2.801 -0.063) 2.802 6.722 ( -0.000 -7.460 4.564) 8.746 7.041 ( 0.000 -6.142 -2.762) 6.734 8.199 ( 0.000 1.310 -1.495) 1.988======================= Grid point 1209 (317/344) =======================q-point: ( 0.33 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.965 ( -0.000 0.000 16.821) 16.821 0.965 ( -0.000 0.000 16.821) 16.821 1.718 ( -0.000 0.000 32.482) 32.482 1.954 ( 0.000 -0.000 -7.183) 7.183 1.954 ( 0.000 -0.000 -7.183) 7.183 3.581 ( 0.000 -0.000 -19.189) 19.189 5.151 ( 0.000 -0.000 -0.055) 0.055 5.151 ( 0.000 -0.000 -0.055) 0.055 6.418 ( -0.000 0.000 0.143) 0.143 6.418 ( -0.000 0.000 0.143) 0.143 8.240 ( -0.000 0.000 3.811) 3.811 8.492 ( 0.000 -0.000 -2.152) 2.152======================= Grid point 1210 (318/344) =======================q-point: ( 0.40 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.982 ( 1.821 1.051 16.674) 16.806 1.209 ( 10.685 6.169 16.464) 20.574 1.756 ( -1.705 -0.984 4.622) 5.024 1.985 ( 2.778 1.604 -7.037) 7.734 2.066 ( 11.699 6.754 10.819) 17.307 3.394 ( -6.886 -3.975 -13.239) 15.443 5.186 ( 2.770 1.599 -0.336) 3.216 5.642 ( 34.412 19.868 -10.299) 41.049 6.388 ( -2.912 -1.681 -0.147) 3.366 6.397 ( -1.711 -0.988 0.253) 1.992 8.215 ( -3.304 -1.908 4.211) 5.683 8.414 ( -6.059 -3.498 -2.799) 7.536======================= Grid point 1211 (319/344) =======================q-point: ( 0.47 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.130 ( 7.062 4.077 13.887) 16.104 1.420 ( 1.567 0.905 21.805) 21.880 1.816 ( 10.553 6.093 -13.219) 17.978 2.035 ( 3.643 2.103 -6.603) 7.829 2.422 ( 15.808 9.127 11.263) 21.449 3.291 ( 0.535 0.309 -8.945) 8.967 5.271 ( 5.052 2.917 -0.565) 5.861 6.274 ( 5.494 3.172 -3.457) 7.225 6.332 ( 15.967 9.219 -7.444) 19.883 6.349 ( -2.528 -1.460 0.342) 2.939 8.109 ( -8.416 -4.859 5.964) 11.402 8.242 ( -7.001 -4.042 -4.832) 9.418======================= Grid point 1212 (320/344) =======================q-point: ( 0.53 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.352 ( 9.285 5.361 10.273) 14.848 1.482 ( 1.512 0.873 13.761) 13.871 2.079 ( 13.618 7.862 -7.121) 17.262 2.108 ( 4.603 2.658 -5.757) 7.836 2.772 ( 12.837 7.412 3.665) 15.270 3.359 ( 7.265 4.194 -4.187) 9.375 5.403 ( 6.917 3.993 -0.607) 8.010 6.173 ( -5.286 -3.052 0.175) 6.106 6.296 ( -2.227 -1.286 0.357) 2.596 6.726 ( 13.150 7.592 -7.828) 17.084 7.858 ( -14.330 -8.273 1.937) 16.660 8.132 ( -2.441 -1.409 -0.034) 2.819======================= Grid point 1213 (321/344) =======================q-point: ( 0.60 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.579 ( 8.579 4.953 6.605) 11.906 1.595 ( 5.426 3.133 9.432) 11.323 2.207 ( 5.628 3.249 -4.240) 7.760 2.328 ( 9.923 5.729 -3.385) 11.948 2.990 ( 6.502 3.754 -0.874) 7.559 3.563 ( 11.020 6.362 -1.366) 12.798 5.564 ( 7.474 4.315 -0.438) 8.642 6.075 ( -3.264 -1.885 0.844) 3.863 6.262 ( -0.770 -0.445 0.276) 0.931 6.872 ( 2.799 1.616 -7.051) 7.757 7.529 ( -15.097 -8.716 0.737) 17.448 8.121 ( 0.716 0.413 2.860) 2.977======================= Grid point 1214 (322/344) =======================q-point: ( 0.67 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.757 ( 6.677 3.855 5.894) 9.705 1.758 ( 6.234 3.599 3.048) 7.817 2.328 ( 5.943 3.431 -2.115) 7.181 2.496 ( 6.164 3.559 -2.481) 7.537 3.057 ( 0.069 0.040 -1.963) 1.965 3.804 ( 10.360 5.981 0.059) 11.962 5.715 ( 5.982 3.454 -0.170) 6.909 6.046 ( 0.426 0.246 1.316) 1.405 6.268 ( 1.327 0.766 0.142) 1.539 6.845 ( -2.798 -1.615 -6.727) 7.462 7.226 ( -11.951 -6.900 2.212) 13.976 8.160 ( 1.687 0.974 2.803) 3.414======================= Grid point 1225 (323/344) =======================q-point: ( 0.40 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.112 ( -0.000 9.361 16.726) 19.168 1.193 ( -0.000 9.387 9.026) 13.023 1.862 ( -0.000 2.730 4.813) 5.533 1.885 ( 0.000 -0.732 -5.258) 5.309 2.087 ( -0.000 10.509 10.154) 14.613 3.355 ( 0.000 -7.300 -13.054) 14.956 5.170 ( -0.000 2.506 0.318) 2.526 5.620 ( 0.000 37.849 -8.413) 38.772 6.382 ( -0.000 -3.480 0.054) 3.480 6.404 ( -0.000 -1.650 -0.055) 1.651 8.224 ( -0.000 -4.377 4.052) 5.964 8.413 ( 0.000 -5.825 -3.088) 6.593======================= Grid point 1226 (324/344) =======================q-point: ( 0.47 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.200 ( -1.515 10.637 11.756) 15.926 1.451 ( 9.297 8.895 13.953) 18.981 1.766 ( -4.146 3.980 -7.070) 9.112 1.988 ( 4.366 4.177 -8.296) 10.263 2.325 ( 10.381 11.211 12.930) 20.015 3.261 ( -0.474 -1.364 -8.993) 9.109 5.233 ( 3.277 4.011 0.019) 5.179 6.107 ( 16.976 28.484 -8.166) 34.150 6.322 ( -2.366 -4.369 -0.442) 4.988 6.371 ( -1.569 -1.967 0.044) 2.517 8.154 ( -3.089 -8.163 5.467) 10.298 8.296 ( -5.446 -5.084 -5.072) 9.013======================= Grid point 1227 (325/344) =======================q-point: ( 0.53 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.347 ( 3.589 9.359 8.182) 12.939 1.600 ( -3.776 7.586 14.988) 17.217 1.891 ( 12.811 7.128 -6.917) 16.210 2.079 ( 3.918 7.067 -8.440) 11.684 2.650 ( 12.043 9.338 5.225) 16.110 3.286 ( 4.530 3.915 -4.502) 7.491 5.351 ( 5.115 5.923 -0.322) 7.833 6.213 ( -4.071 -4.785 0.118) 6.283 6.323 ( -2.064 -1.452 0.158) 2.528 6.571 ( 14.085 14.430 -6.089) 21.064 7.972 ( -9.209 -11.540 3.080) 15.082 8.161 ( -3.900 -2.327 -2.361) 5.118======================= Grid point 1228 (326/344) =======================q-point: ( 0.60 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.527 ( 5.872 7.147 5.255) 10.638 1.687 ( -1.607 12.031 12.260) 17.252 2.115 ( 8.750 3.837 -4.889) 10.732 2.235 ( 7.737 8.846 -3.978) 12.407 2.899 ( 8.546 5.136 -0.796) 10.002 3.450 ( 9.254 6.932 -1.764) 11.696 5.509 ( 6.077 7.479 -0.386) 9.644 6.106 ( -3.451 -3.893 0.620) 5.239 6.283 ( -1.629 -0.154 0.226) 1.652 6.806 ( 5.731 4.278 -5.315) 8.911 7.677 ( -13.102 -10.595 0.225) 16.852 8.111 ( 0.094 -1.867 2.104) 2.814======================= Grid point 1229 (327/344) =======================q-point: ( 0.67 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.707 ( 5.981 6.956 3.970) 9.996 1.818 ( -0.646 11.085 9.331) 14.504 2.270 ( 6.295 6.375 -3.774) 9.722 2.422 ( 6.754 5.313 -1.980) 8.818 3.025 ( 3.466 0.912 -2.118) 4.163 3.682 ( 10.717 6.637 -1.348) 12.678 5.680 ( 5.248 8.065 -0.230) 9.624 6.043 ( -0.729 -2.032 1.268) 2.503 6.273 ( -0.277 1.497 0.211) 1.537 6.841 ( -0.515 -0.737 -5.511) 5.584 7.366 ( -12.756 -8.446 0.801) 15.320 8.128 ( 2.517 -1.868 3.192) 4.474======================= Grid point 1241 (328/344) =======================q-point: ( 0.47 0.47 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.402 ( 0.000 9.983 -2.595) 10.315 1.427 ( -0.000 11.366 14.276) 18.248 1.883 ( -0.000 2.228 1.511) 2.692 1.934 ( 0.000 9.115 -14.765) 17.352 2.401 ( -0.000 13.782 13.802) 19.505 3.234 ( 0.000 0.863 -6.216) 6.275 5.251 ( -0.000 5.586 0.730) 5.634 6.240 ( 0.000 27.421 -4.239) 27.746 6.296 ( 0.000 -3.782 -1.327) 4.008 6.359 ( -0.000 -2.771 -0.301) 2.787 8.098 ( -0.000 -12.085 5.204) 13.157 8.280 ( 0.000 -4.136 -6.050) 7.329======================= Grid point 1242 (329/344) =======================q-point: ( 0.53 0.47 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.437 ( -1.426 9.292 0.035) 9.400 1.679 ( 9.912 8.224 4.244) 13.561 1.865 ( -3.634 8.350 1.044) 9.166 2.053 ( 4.740 9.046 -10.311) 14.512 2.623 ( 5.695 12.757 8.284) 16.242 3.264 ( 2.036 5.366 -2.234) 6.159 5.343 ( 3.297 7.150 0.521) 7.891 6.217 ( -2.373 -5.590 -0.186) 6.076 6.327 ( -0.589 -2.355 -0.276) 2.444 6.538 ( 7.052 18.088 -2.457) 19.569 7.956 ( -3.233 -14.626 3.997) 15.504 8.196 ( -3.648 -2.266 -5.350) 6.860======================= Grid point 1243 (330/344) =======================q-point: ( 0.60 0.47 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.538 ( 3.273 8.595 0.096) 9.197 1.890 ( -1.363 13.866 9.591) 16.915 1.969 ( 10.458 4.250 -5.677) 12.636 2.205 ( 5.377 9.703 -4.396) 11.933 2.836 ( 5.686 8.036 1.261) 9.924 3.395 ( 5.644 8.618 0.063) 10.302 5.494 ( 5.319 8.904 0.121) 10.372 6.119 ( -3.002 -4.793 -0.034) 5.655 6.299 ( -0.614 -0.864 -0.104) 1.065 6.756 ( 4.914 6.886 -1.454) 8.584 7.737 ( -7.395 -13.822 1.231) 15.724 8.111 ( -2.446 -1.781 -1.540) 3.395======================= Grid point 1244 (331/344) =======================q-point: ( 0.67 0.47 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.702 ( 5.414 9.083 1.672) 10.706 1.994 ( -2.479 10.613 8.155) 13.612 2.198 ( 9.884 9.347 -4.872) 14.450 2.373 ( 5.483 6.980 -0.960) 8.928 2.969 ( 3.940 2.936 -1.184) 5.055 3.592 ( 7.722 8.252 -0.817) 11.330 5.680 ( 5.658 10.157 -0.081) 11.627 6.040 ( -1.621 -3.102 0.533) 3.540 6.294 ( -0.167 1.164 0.105) 1.181 6.826 ( 0.509 0.431 -2.194) 2.293 7.471 ( -10.030 -10.841 -0.052) 14.769 8.078 ( 0.848 -2.672 1.582) 3.219======================= Grid point 1257 (332/344) =======================q-point: ( 0.53 0.53 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.540 ( 0.000 8.812 -10.155) 13.445 1.631 ( 0.000 5.507 -1.008) 5.599 1.992 ( -0.000 5.957 6.965) 9.164 2.084 ( 0.000 13.954 -9.214) 16.722 2.737 ( -0.000 13.569 7.685) 15.594 3.312 ( 0.000 8.509 0.929) 8.559 5.389 ( 0.000 8.078 0.904) 8.128 6.182 ( 0.000 -5.547 -0.721) 5.594 6.303 ( 0.000 -2.589 -0.457) 2.629 6.643 ( 0.000 14.088 1.169) 14.136 7.841 ( -0.000 -16.373 3.089) 16.661 8.193 ( 0.000 -1.409 -6.035) 6.198======================= Grid point 1258 (333/344) =======================q-point: ( 0.60 0.53 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.577 ( 0.602 8.248 -5.920) 10.171 1.785 ( 11.311 5.253 -9.678) 15.786 2.064 ( -1.089 9.153 6.831) 11.473 2.225 ( 3.044 11.511 -2.089) 12.088 2.880 ( 0.921 9.837 3.452) 10.465 3.431 ( 2.109 11.258 2.445) 11.712 5.504 ( 3.686 9.051 0.609) 9.792 6.113 ( -1.849 -4.641 -0.883) 5.073 6.286 ( 0.555 -1.484 -0.379) 1.629 6.770 ( 1.758 6.441 2.761) 7.225 7.671 ( -2.254 -16.325 1.549) 16.552 8.141 ( -2.863 -0.410 -4.530) 5.374======================= Grid point 1273 (334/344) =======================q-point: (-0.40 -0.40 -0.67)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.644 ( 0.000 8.048 -8.118) 11.431 1.685 ( 0.000 5.370 -10.478) 11.773 2.164 ( -0.000 7.586 5.452) 9.342 2.311 ( 0.000 11.219 0.396) 11.226 2.973 ( -0.000 7.464 2.856) 7.992 3.543 ( -0.000 13.229 3.145) 13.597 5.559 ( 0.000 8.781 0.672) 8.807 6.086 ( 0.000 -3.515 -1.400) 3.784 6.265 ( 0.000 -0.961 -0.392) 1.037 6.817 ( -0.000 2.930 5.238) 6.002 7.530 ( -0.000 -16.714 0.415) 16.719 8.155 ( 0.000 0.732 -4.770) 4.825======================= Grid point 1451 (335/344) =======================q-point: ( 0.40 0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.094 ( -0.000 0.000 12.014) 12.014 1.094 ( -0.000 0.000 12.014) 12.014 1.893 ( 0.000 -0.000 -6.151) 6.151 1.893 ( 0.000 -0.000 -6.151) 6.151 1.972 ( -0.000 0.000 24.678) 24.678 3.419 ( 0.000 -0.000 -16.772) 16.772 5.150 ( 0.000 0.000 -0.037) 0.037 5.150 ( -0.000 -0.000 -0.037) 0.037 6.419 ( -0.000 0.000 0.097) 0.097 6.419 ( -0.000 0.000 0.097) 0.097 8.270 ( -0.000 0.000 3.021) 3.021 8.474 ( 0.000 -0.000 -1.909) 1.909======================= Grid point 1452 (336/344) =======================q-point: ( 0.47 0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.116 ( 1.968 1.136 13.341) 13.533 1.319 ( 13.261 7.656 7.624) 17.106 1.760 ( -6.815 -3.935 -0.662) 7.897 1.923 ( 2.724 1.573 -6.728) 7.427 2.185 ( 11.086 6.401 13.031) 18.267 3.283 ( -4.853 -2.802 -10.922) 12.276 5.182 ( 2.650 1.530 -0.449) 3.093 5.577 ( 31.511 18.193 -4.835) 36.705 6.386 ( -3.030 -1.750 -0.178) 3.504 6.400 ( -1.658 -0.957 0.264) 1.933 8.249 ( -2.640 -1.524 3.228) 4.440 8.390 ( -6.769 -3.908 -2.378) 8.170======================= Grid point 1453 (337/344) =======================q-point: ( 0.53 0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.249 ( 6.248 3.607 12.739) 14.640 1.601 ( -2.776 -1.603 16.936) 17.237 1.701 ( 14.618 8.440 -10.798) 20.038 1.975 ( 3.820 2.205 -6.993) 8.268 2.495 ( 13.681 7.899 4.480) 16.421 3.223 ( 1.912 1.104 -5.731) 6.142 5.265 ( 5.006 2.890 -0.754) 5.830 6.235 ( 23.092 13.332 -3.980) 26.960 6.300 ( -1.399 -0.808 -1.443) 2.166 6.353 ( -2.504 -1.445 0.398) 2.918 8.157 ( -10.478 -6.049 3.723) 12.658 8.204 ( -4.754 -2.745 -2.668) 6.103======================= Grid point 1454 (338/344) =======================q-point: ( 0.60 0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.446 ( 7.993 4.615 10.925) 14.301 1.587 ( 0.848 0.490 9.169) 9.222 2.043 ( 14.506 8.375 -0.278) 16.752 2.053 ( 5.110 2.950 -6.758) 8.972 2.780 ( 11.333 6.543 -1.969) 13.234 3.328 ( 8.258 4.768 -2.817) 9.943 5.396 ( 6.971 4.025 -0.829) 8.092 6.176 ( -5.078 -2.932 0.594) 5.894 6.299 ( -2.246 -1.297 0.448) 2.632 6.670 ( 13.062 7.541 -4.832) 15.837 7.861 ( -14.695 -8.484 -1.198) 17.011 8.149 ( -1.475 -0.852 3.726) 4.097======================= Grid point 1467 (339/344) =======================q-point: ( 0.47 0.47 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.239 ( -0.000 6.523 1.029) 6.603 1.246 ( -0.000 10.773 13.205) 17.043 1.835 ( 0.000 -1.540 -6.911) 7.080 1.857 ( 0.000 0.680 -0.773) 1.029 2.205 ( -0.000 10.017 12.017) 15.644 3.254 ( 0.000 -5.028 -8.634) 9.991 5.174 ( -0.000 2.681 0.439) 2.717 5.568 ( 0.000 35.456 -3.663) 35.645 6.383 ( -0.000 -3.579 0.132) 3.581 6.403 ( -0.000 -1.736 -0.155) 1.743 8.255 ( -0.000 -3.426 2.787) 4.416 8.388 ( 0.000 -7.147 -2.389) 7.535======================= Grid point 1468 (340/344) =======================q-point: ( 0.53 0.47 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.282 ( 0.489 7.385 5.627) 9.298 1.535 ( 12.799 11.334 4.482) 17.674 1.725 ( -6.415 1.216 -1.695) 6.746 1.924 ( 3.640 3.038 -5.031) 6.913 2.411 ( 7.901 11.174 5.520) 14.756 3.200 ( 0.147 0.149 -3.994) 3.999 5.233 ( 2.824 4.303 0.006) 5.147 6.059 ( 16.958 29.115 -2.710) 33.802 6.320 ( -2.648 -4.708 -0.126) 5.403 6.371 ( -1.359 -2.088 0.014) 2.491 8.202 ( -2.373 -7.342 5.376) 9.404 8.250 ( -5.861 -6.407 -5.244) 10.144======================= Grid point 1469 (341/344) =======================q-point: ( 0.60 0.47 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.411 ( 5.023 5.563 5.669) 9.398 1.689 ( -3.241 8.724 3.582) 9.972 1.863 ( 13.678 6.074 0.971) 14.998 2.020 ( 4.693 7.359 -3.477) 9.395 2.667 ( 9.513 9.349 -1.584) 13.432 3.259 ( 4.811 5.030 -1.239) 7.070 5.347 ( 4.842 6.202 -0.462) 7.882 6.215 ( -3.928 -4.840 0.271) 6.239 6.324 ( -1.895 -1.589 0.232) 2.484 6.536 ( 13.450 15.157 -1.978) 20.360 7.981 ( -10.875 -11.147 -1.214) 15.621 8.161 ( -1.353 -3.088 2.283) 4.072======================= Grid point 1483 (342/344) =======================q-point: ( 0.53 0.53 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.348 ( 0.000 7.728 -9.300) 12.092 1.554 ( -0.000 7.494 14.411) 16.243 1.789 ( 0.000 8.443 -17.851) 19.747 1.917 ( -0.000 3.887 5.713) 6.910 2.490 ( -0.000 14.019 5.695) 15.131 3.201 ( 0.000 2.520 -0.892) 2.673 5.258 ( -0.000 5.693 0.811) 5.750 6.218 ( 0.000 29.989 -0.381) 29.991 6.293 ( -0.000 -5.380 0.283) 5.388 6.356 ( 0.000 -2.838 -0.382) 2.864 8.142 ( -0.000 -12.809 4.695) 13.642 8.228 ( 0.000 -4.239 -5.658) 7.070======================= Grid point 1694 (343/344) =======================q-point: ( 0.47 0.47 0.47)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.169 ( -0.000 0.000 4.557) 4.557 1.169 ( -0.000 0.000 4.557) 4.557 1.853 ( 0.000 -0.000 -2.589) 2.589 1.853 ( 0.000 -0.000 -2.589) 2.589 2.131 ( -0.000 0.000 9.965) 9.965 3.307 ( 0.000 -0.000 -7.342) 7.342 5.150 ( 0.000 0.000 -0.013) 0.013 5.150 ( 0.000 -0.000 -0.013) 0.013 6.420 ( -0.000 0.000 0.034) 0.034 6.420 ( -0.000 0.000 0.034) 0.034 8.290 ( -0.000 0.000 1.221) 1.221 8.461 ( 0.000 -0.000 -0.830) 0.830======================= Grid point 1695 (344/344) =======================q-point: ( 0.53 0.47 0.47)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.209 ( 3.280 1.894 7.452) 8.359 1.331 ( 12.224 7.057 -5.026) 14.983 1.777 ( -5.120 -2.956 5.046) 7.772 1.873 ( 2.001 1.155 -4.197) 4.791 2.255 ( 8.844 5.106 1.496) 10.321 3.222 ( -3.733 -2.155 -1.923) 4.720 5.178 ( 2.491 1.438 -0.485) 2.917 5.554 ( 30.261 17.471 -0.467) 34.945 6.385 ( -3.100 -1.790 -0.174) 3.584 6.402 ( -1.585 -0.915 0.229) 1.844 8.267 ( -2.220 -1.282 0.385) 2.593 8.377 ( -7.129 -4.116 -0.158) 8.233=================== 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 3/40500 10.0 650.124 650.124 1522.385 0.000 -0.000 0.000 3/40500 20.0 157.908 157.908 159.025 0.000 -0.000 0.000 3/40500 30.0 77.764 77.764 60.920 0.000 -0.000 0.000 3/40500 40.0 52.200 52.200 36.211 0.000 -0.000 0.000 3/40500 50.0 38.693 38.693 25.422 0.000 -0.000 0.000 3/40500 60.0 30.106 30.106 19.345 0.000 -0.000 0.000 3/40500 70.0 24.308 24.308 15.486 0.000 -0.000 0.000 3/40500 80.0 20.242 20.242 12.858 0.000 -0.000 0.000 3/40500 90.0 17.289 17.289 10.975 0.000 -0.000 0.000 3/40500 100.0 15.074 15.074 9.570 0.000 -0.000 0.000 3/40500 110.0 13.361 13.361 8.487 0.000 -0.000 0.000 3/40500 120.0 12.002 12.002 7.628 0.000 -0.000 0.000 3/40500 130.0 10.900 10.900 6.931 0.000 -0.000 0.000 3/40500 140.0 9.989 9.989 6.354 0.000 -0.000 0.000 3/40500 150.0 9.222 9.222 5.869 0.000 -0.000 0.000 3/40500 160.0 8.569 8.569 5.455 0.000 -0.000 0.000 3/40500 170.0 8.006 8.006 5.097 0.000 -0.000 0.000 3/40500 180.0 7.514 7.514 4.785 0.000 -0.000 0.000 3/40500 190.0 7.081 7.081 4.510 0.000 -0.000 0.000 3/40500 200.0 6.697 6.697 4.266 0.000 -0.000 0.000 3/40500 210.0 6.354 6.354 4.048 0.000 -0.000 0.000 3/40500 220.0 6.045 6.045 3.851 0.000 -0.000 0.000 3/40500 230.0 5.766 5.766 3.673 0.000 -0.000 0.000 3/40500 240.0 5.512 5.512 3.512 0.000 -0.000 0.000 3/40500 250.0 5.281 5.281 3.364 0.000 -0.000 0.000 3/40500 260.0 5.068 5.068 3.228 0.000 -0.000 0.000 3/40500 270.0 4.872 4.872 3.104 0.000 -0.000 0.000 3/40500 280.0 4.691 4.691 2.988 0.000 -0.000 0.000 3/40500 290.0 4.524 4.524 2.882 0.000 -0.000 0.000 3/40500 300.0 4.368 4.368 2.782 0.000 -0.000 0.000 3/40500 310.0 4.223 4.223 2.690 0.000 -0.000 0.000 3/40500 320.0 4.087 4.087 2.603 0.000 -0.000 0.000 3/40500 330.0 3.960 3.960 2.522 0.000 -0.000 0.000 3/40500 340.0 3.841 3.841 2.446 0.000 -0.000 0.000 3/40500 350.0 3.729 3.729 2.375 0.000 -0.000 0.000 3/40500 360.0 3.623 3.623 2.307 0.000 -0.000 0.000 3/40500 370.0 3.523 3.523 2.243 0.000 -0.000 0.000 3/40500 380.0 3.429 3.429 2.183 0.000 -0.000 0.000 3/40500 390.0 3.339 3.339 2.126 0.000 -0.000 0.000 3/40500 400.0 3.255 3.255 2.072 0.000 -0.000 0.000 3/40500 410.0 3.174 3.174 2.021 0.000 -0.000 0.000 3/40500 420.0 3.098 3.098 1.972 0.000 -0.000 0.000 3/40500 430.0 3.025 3.025 1.925 0.000 -0.000 0.000 3/40500 440.0 2.955 2.955 1.881 0.000 -0.000 0.000 3/40500 450.0 2.889 2.889 1.839 0.000 -0.000 0.000 3/40500 460.0 2.825 2.825 1.798 0.000 -0.000 0.000 3/40500 470.0 2.765 2.765 1.760 0.000 -0.000 0.000 3/40500 480.0 2.707 2.707 1.723 0.000 -0.000 0.000 3/40500 490.0 2.651 2.651 1.687 0.000 -0.000 0.000 3/40500 500.0 2.597 2.597 1.653 0.000 -0.000 0.000 3/40500 510.0 2.546 2.546 1.620 0.000 -0.000 0.000 3/40500 520.0 2.497 2.497 1.589 0.000 -0.000 0.000 3/40500 530.0 2.449 2.449 1.559 0.000 -0.000 0.000 3/40500 540.0 2.404 2.404 1.530 0.000 -0.000 0.000 3/40500 550.0 2.360 2.360 1.502 0.000 -0.000 0.000 3/40500 560.0 2.318 2.318 1.475 0.000 -0.000 0.000 3/40500 570.0 2.277 2.277 1.449 0.000 -0.000 0.000 3/40500 580.0 2.237 2.237 1.423 0.000 -0.000 0.000 3/40500 590.0 2.199 2.199 1.399 0.000 -0.000 0.000 3/40500 600.0 2.162 2.162 1.376 0.000 -0.000 0.000 3/40500 610.0 2.127 2.127 1.353 0.000 -0.000 0.000 3/40500 620.0 2.092 2.092 1.331 0.000 -0.000 0.000 3/40500 630.0 2.059 2.059 1.310 0.000 -0.000 0.000 3/40500 640.0 2.027 2.027 1.289 0.000 -0.000 0.000 3/40500 650.0 1.996 1.996 1.269 0.000 -0.000 0.000 3/40500 660.0 1.965 1.965 1.250 0.000 -0.000 0.000 3/40500 670.0 1.936 1.936 1.231 0.000 -0.000 0.000 3/40500 680.0 1.907 1.907 1.213 0.000 -0.000 0.000 3/40500 690.0 1.880 1.880 1.196 0.000 -0.000 0.000 3/40500 700.0 1.853 1.853 1.178 0.000 -0.000 0.000 3/40500 710.0 1.827 1.827 1.162 0.000 -0.000 0.000 3/40500 720.0 1.801 1.801 1.146 0.000 -0.000 0.000 3/40500 730.0 1.777 1.777 1.130 0.000 -0.000 0.000 3/40500 740.0 1.752 1.752 1.115 0.000 -0.000 0.000 3/40500 750.0 1.729 1.729 1.100 0.000 -0.000 0.000 3/40500 760.0 1.706 1.706 1.085 0.000 -0.000 0.000 3/40500 770.0 1.684 1.684 1.071 0.000 -0.000 0.000 3/40500 780.0 1.663 1.663 1.057 0.000 -0.000 0.000 3/40500 790.0 1.641 1.641 1.044 0.000 -0.000 0.000 3/40500 800.0 1.621 1.621 1.031 0.000 -0.000 0.000 3/40500 810.0 1.601 1.601 1.018 0.000 -0.000 0.000 3/40500 820.0 1.581 1.581 1.006 0.000 -0.000 0.000 3/40500 830.0 1.562 1.562 0.993 0.000 -0.000 0.000 3/40500 840.0 1.544 1.544 0.982 0.000 -0.000 0.000 3/40500 850.0 1.526 1.526 0.970 0.000 -0.000 0.000 3/40500 860.0 1.508 1.508 0.959 0.000 -0.000 0.000 3/40500 870.0 1.491 1.491 0.948 0.000 -0.000 0.000 3/40500 880.0 1.474 1.474 0.937 0.000 -0.000 0.000 3/40500 890.0 1.457 1.457 0.926 0.000 -0.000 0.000 3/40500 900.0 1.441 1.441 0.916 0.000 -0.000 0.000 3/40500 910.0 1.425 1.425 0.906 0.000 -0.000 0.000 3/40500 920.0 1.410 1.410 0.896 0.000 -0.000 0.000 3/40500 930.0 1.394 1.394 0.886 0.000 -0.000 0.000 3/40500 940.0 1.380 1.380 0.877 0.000 -0.000 0.000 3/40500 950.0 1.365 1.365 0.868 0.000 -0.000 0.000 3/40500 960.0 1.351 1.351 0.859 0.000 -0.000 0.000 3/40500 970.0 1.337 1.337 0.850 0.000 -0.000 0.000 3/40500 980.0 1.323 1.323 0.841 0.000 -0.000 0.000 3/40500 990.0 1.310 1.310 0.833 0.000 -0.000 0.000 3/40500 1000.0 1.297 1.297 0.824 0.000 -0.000 0.000 3/40500Thermal conductivity related properties were written into "kappa-m151515.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 22:13:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|