# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/63f699b0-bf7b-4619-9b4c-a7c78b412f8c/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 CsPrS2 / R-3m (166) / materials id 9080](https://mdr.nims.go.jp/datasets/5acb2b6a-5db1-40fd-9b01-805465acaeb7) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-07 23:12:04]-------------------------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 2.108699933219467 1.217458474084403 7.964034056666659 b -2.108699933219462 1.217458474084403 7.964034056666659 c 0.000000000000002 -2.434916948168809 7.964034056666659Atomic positions (fractional): *1 S 0.77007930432825 0.77007930432825 0.77007930432825 32.065 2 S 0.22992069567175 0.22992069567175 0.22992069567175 32.065 *3 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 *4 Pr 0.50000000000000 0.50000000000000 0.50000000000000 140.908-------------------------------- unit cell ---------------------------------Lattice vectors: a 4.217399866438929 0.000000000000000 0.000000000000000 b -2.108699933219464 3.652375422253211 0.000000000000000 c 0.000000000000000 0.000000000000000 23.892102170000001Atomic positions (fractional): *1 S 0.66666666666667 0.33333333333333 0.10341263766158 32.065 > 1 2 S 0.00000000000000 0.00000000000000 0.22992069567175 32.065 > 2 3 S 0.33333333333333 0.66666666666667 0.43674597099492 32.065 > 1 4 S 0.66666666666667 0.33333333333333 0.56325402900508 32.065 > 2 5 S 0.00000000000000 0.00000000000000 0.77007930432825 32.065 > 1 6 S 0.33333333333333 0.66666666666667 0.89658736233841 32.065 > 2 *7 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 > 3 8 Cs 0.66666666666667 0.33333333333333 0.33333333333333 132.905 > 3 9 Cs 0.33333333333333 0.66666666666667 0.66666666666667 132.905 > 3 *10 Pr 0.33333333333333 0.66666666666667 0.16666666666667 140.908 > 4 11 Pr 0.00000000000000 0.00000000000000 0.50000000000000 140.908 > 4 12 Pr 0.66666666666667 0.33333333333333 0.83333333333333 140.908 > 4-------------------------------- super cell --------------------------------Lattice vectors: a 12.652199599316788 0.000000000000000 0.000000000000000 b -6.326099799658392 10.957126266759634 0.000000000000000 c 0.000000000000000 0.000000000000000 23.892102170000001Atomic positions (fractional): *1 S 0.22222222222222 0.11111111111111 0.10341263766158 32.065 > 1 2 S 0.55555555555556 0.11111111111111 0.10341263766158 32.065 > 1 3 S 0.88888888888889 0.11111111111111 0.10341263766158 32.065 > 1 4 S 0.22222222222222 0.44444444444444 0.10341263766158 32.065 > 1 5 S 0.55555555555556 0.44444444444444 0.10341263766158 32.065 > 1 6 S 0.88888888888889 0.44444444444444 0.10341263766158 32.065 > 1 7 S 0.22222222222222 0.77777777777778 0.10341263766158 32.065 > 1 8 S 0.55555555555556 0.77777777777778 0.10341263766158 32.065 > 1 9 S 0.88888888888889 0.77777777777778 0.10341263766158 32.065 > 1 10 S 0.00000000000000 0.00000000000000 0.22992069567175 32.065 > 2 11 S 0.33333333333333 0.00000000000000 0.22992069567175 32.065 > 2 12 S 0.66666666666667 0.00000000000000 0.22992069567175 32.065 > 2 13 S 0.00000000000000 0.33333333333333 0.22992069567175 32.065 > 2 14 S 0.33333333333333 0.33333333333333 0.22992069567175 32.065 > 2 15 S 0.66666666666667 0.33333333333333 0.22992069567175 32.065 > 2 16 S 0.00000000000000 0.66666666666667 0.22992069567175 32.065 > 2 17 S 0.33333333333333 0.66666666666667 0.22992069567175 32.065 > 2 18 S 0.66666666666667 0.66666666666667 0.22992069567175 32.065 > 2 19 S 0.11111111111111 0.22222222222222 0.43674597099492 32.065 > 1 20 S 0.44444444444444 0.22222222222222 0.43674597099492 32.065 > 1 21 S 0.77777777777778 0.22222222222222 0.43674597099492 32.065 > 1 22 S 0.11111111111111 0.55555555555556 0.43674597099492 32.065 > 1 23 S 0.44444444444444 0.55555555555556 0.43674597099492 32.065 > 1 24 S 0.77777777777778 0.55555555555556 0.43674597099492 32.065 > 1 25 S 0.11111111111111 0.88888888888889 0.43674597099492 32.065 > 1 26 S 0.44444444444444 0.88888888888889 0.43674597099492 32.065 > 1 27 S 0.77777777777778 0.88888888888889 0.43674597099492 32.065 > 1 28 S 0.22222222222222 0.11111111111111 0.56325402900508 32.065 > 2 29 S 0.55555555555556 0.11111111111111 0.56325402900508 32.065 > 2 30 S 0.88888888888889 0.11111111111111 0.56325402900508 32.065 > 2 31 S 0.22222222222222 0.44444444444444 0.56325402900508 32.065 > 2 32 S 0.55555555555556 0.44444444444444 0.56325402900508 32.065 > 2 33 S 0.88888888888889 0.44444444444444 0.56325402900508 32.065 > 2 34 S 0.22222222222222 0.77777777777778 0.56325402900508 32.065 > 2 35 S 0.55555555555556 0.77777777777778 0.56325402900508 32.065 > 2 36 S 0.88888888888889 0.77777777777778 0.56325402900508 32.065 > 2 37 S 0.00000000000000 0.00000000000000 0.77007930432825 32.065 > 1 38 S 0.33333333333333 0.00000000000000 0.77007930432825 32.065 > 1 39 S 0.66666666666667 0.00000000000000 0.77007930432825 32.065 > 1 40 S 0.00000000000000 0.33333333333333 0.77007930432825 32.065 > 1 41 S 0.33333333333333 0.33333333333333 0.77007930432825 32.065 > 1 42 S 0.66666666666667 0.33333333333333 0.77007930432825 32.065 > 1 43 S 0.00000000000000 0.66666666666667 0.77007930432825 32.065 > 1 44 S 0.33333333333333 0.66666666666667 0.77007930432825 32.065 > 1 45 S 0.66666666666667 0.66666666666667 0.77007930432825 32.065 > 1 46 S 0.11111111111111 0.22222222222222 0.89658736233841 32.065 > 2 47 S 0.44444444444444 0.22222222222222 0.89658736233841 32.065 > 2 48 S 0.77777777777778 0.22222222222222 0.89658736233841 32.065 > 2 49 S 0.11111111111111 0.55555555555556 0.89658736233841 32.065 > 2 50 S 0.44444444444444 0.55555555555556 0.89658736233841 32.065 > 2 51 S 0.77777777777778 0.55555555555556 0.89658736233841 32.065 > 2 52 S 0.11111111111111 0.88888888888889 0.89658736233841 32.065 > 2 53 S 0.44444444444444 0.88888888888889 0.89658736233841 32.065 > 2 54 S 0.77777777777778 0.88888888888889 0.89658736233841 32.065 > 2 *55 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 > 3 56 Cs 0.33333333333333 0.00000000000000 0.00000000000000 132.905 > 3 57 Cs 0.66666666666667 0.00000000000000 0.00000000000000 132.905 > 3 58 Cs 0.00000000000000 0.33333333333333 0.00000000000000 132.905 > 3 59 Cs 0.33333333333333 0.33333333333333 0.00000000000000 132.905 > 3 60 Cs 0.66666666666667 0.33333333333333 0.00000000000000 132.905 > 3 61 Cs 0.00000000000000 0.66666666666667 0.00000000000000 132.905 > 3 62 Cs 0.33333333333333 0.66666666666667 0.00000000000000 132.905 > 3 63 Cs 0.66666666666667 0.66666666666667 0.00000000000000 132.905 > 3 64 Cs 0.22222222222222 0.11111111111111 0.33333333333333 132.905 > 3 65 Cs 0.55555555555556 0.11111111111111 0.33333333333333 132.905 > 3 66 Cs 0.88888888888889 0.11111111111111 0.33333333333333 132.905 > 3 67 Cs 0.22222222222222 0.44444444444444 0.33333333333333 132.905 > 3 68 Cs 0.55555555555556 0.44444444444444 0.33333333333333 132.905 > 3 69 Cs 0.88888888888889 0.44444444444444 0.33333333333333 132.905 > 3 70 Cs 0.22222222222222 0.77777777777778 0.33333333333333 132.905 > 3 71 Cs 0.55555555555556 0.77777777777778 0.33333333333333 132.905 > 3 72 Cs 0.88888888888889 0.77777777777778 0.33333333333333 132.905 > 3 73 Cs 0.11111111111111 0.22222222222222 0.66666666666667 132.905 > 3 74 Cs 0.44444444444444 0.22222222222222 0.66666666666667 132.905 > 3 75 Cs 0.77777777777778 0.22222222222222 0.66666666666667 132.905 > 3 76 Cs 0.11111111111111 0.55555555555556 0.66666666666667 132.905 > 3 77 Cs 0.44444444444444 0.55555555555556 0.66666666666667 132.905 > 3 78 Cs 0.77777777777778 0.55555555555556 0.66666666666667 132.905 > 3 79 Cs 0.11111111111111 0.88888888888889 0.66666666666667 132.905 > 3 80 Cs 0.44444444444444 0.88888888888889 0.66666666666667 132.905 > 3 81 Cs 0.77777777777778 0.88888888888889 0.66666666666667 132.905 > 3 *82 Pr 0.11111111111111 0.22222222222222 0.16666666666667 140.908 > 4 83 Pr 0.44444444444444 0.22222222222222 0.16666666666667 140.908 > 4 84 Pr 0.77777777777778 0.22222222222222 0.16666666666667 140.908 > 4 85 Pr 0.11111111111111 0.55555555555556 0.16666666666667 140.908 > 4 86 Pr 0.44444444444444 0.55555555555556 0.16666666666667 140.908 > 4 87 Pr 0.77777777777778 0.55555555555556 0.16666666666667 140.908 > 4 88 Pr 0.11111111111111 0.88888888888889 0.16666666666667 140.908 > 4 89 Pr 0.44444444444444 0.88888888888889 0.16666666666667 140.908 > 4 90 Pr 0.77777777777778 0.88888888888889 0.16666666666667 140.908 > 4 91 Pr 0.00000000000000 0.00000000000000 0.50000000000000 140.908 > 4 92 Pr 0.33333333333333 0.00000000000000 0.50000000000000 140.908 > 4 93 Pr 0.66666666666667 0.00000000000000 0.50000000000000 140.908 > 4 94 Pr 0.00000000000000 0.33333333333333 0.50000000000000 140.908 > 4 95 Pr 0.33333333333333 0.33333333333333 0.50000000000000 140.908 > 4 96 Pr 0.66666666666667 0.33333333333333 0.50000000000000 140.908 > 4 97 Pr 0.00000000000000 0.66666666666667 0.50000000000000 140.908 > 4 98 Pr 0.33333333333333 0.66666666666667 0.50000000000000 140.908 > 4 99 Pr 0.66666666666667 0.66666666666667 0.50000000000000 140.908 > 4 100 Pr 0.22222222222222 0.11111111111111 0.83333333333333 140.908 > 4 101 Pr 0.55555555555556 0.11111111111111 0.83333333333333 140.908 > 4 102 Pr 0.88888888888889 0.11111111111111 0.83333333333333 140.908 > 4 103 Pr 0.22222222222222 0.44444444444444 0.83333333333333 140.908 > 4 104 Pr 0.55555555555556 0.44444444444444 0.83333333333333 140.908 > 4 105 Pr 0.88888888888889 0.44444444444444 0.83333333333333 140.908 > 4 106 Pr 0.22222222222222 0.77777777777778 0.83333333333333 140.908 > 4 107 Pr 0.55555555555556 0.77777777777778 0.83333333333333 140.908 > 4 108 Pr 0.88888888888889 0.77777777777778 0.83333333333333 140.908 > 4----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 5.6812401 0.0000000 0.0000000 0.0000000 5.6812401 0.0000000 0.0000000 0.0000000 4.6029956-------------------------- Born effective charges -------------------------- 1 S -2.8802184 -0.0000000 0.0000000 -0.0000000 -2.8802184 0.0000000 0.0000000 0.0000000 -2.1198784 2 S -2.8802184 -0.0000000 0.0000000 -0.0000000 -2.8802184 0.0000000 0.0000000 0.0000000 -2.1198784 3 Cs 1.1208353 0.0000000 0.0000000 -0.0000000 1.1208353 0.0000000 0.0000000 0.0000000 2.1338807 4 Pr 4.6396015 0.0000000 0.0000000 0.0000000 4.6396015 0.0000000 0.0000000 0.0000000 2.1058761----------------------------------------------------------------------------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: 214Finding 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: 0.111Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.118--------------------------------- 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: 214Finding 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 23:12:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 23:12:08]-------------------------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 2.108699933219467 1.217458474084403 7.964034056666659 b -2.108699933219462 1.217458474084403 7.964034056666659 c 0.000000000000002 -2.434916948168809 7.964034056666659Atomic positions (fractional): 1 S 0.77007930432825 0.77007930432825 0.77007930432825 32.065 2 S 0.22992069567175 0.22992069567175 0.22992069567175 32.065 3 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 4 Pr 0.50000000000000 0.50000000000000 0.50000000000000 140.908-------------------------------- supercell ---------------------------------Lattice vectors: a 12.652199599316788 0.000000000000000 0.000000000000000 b -6.326099799658392 10.957126266759634 0.000000000000000 c 0.000000000000000 0.000000000000000 23.892102170000001Atomic positions (fractional): 1 S 0.22222222222222 0.11111111111111 0.10341263766158 32.065 > 1 2 S 0.55555555555556 0.11111111111111 0.10341263766158 32.065 > 1 3 S 0.88888888888889 0.11111111111111 0.10341263766158 32.065 > 1 4 S 0.22222222222222 0.44444444444444 0.10341263766158 32.065 > 1 5 S 0.55555555555556 0.44444444444444 0.10341263766158 32.065 > 1 6 S 0.88888888888889 0.44444444444444 0.10341263766158 32.065 > 1 7 S 0.22222222222222 0.77777777777778 0.10341263766158 32.065 > 1 8 S 0.55555555555556 0.77777777777778 0.10341263766158 32.065 > 1 9 S 0.88888888888889 0.77777777777778 0.10341263766158 32.065 > 1 10 S 0.00000000000000 0.00000000000000 0.22992069567175 32.065 > 10 11 S 0.33333333333333 0.00000000000000 0.22992069567175 32.065 > 10 12 S 0.66666666666667 0.00000000000000 0.22992069567175 32.065 > 10 13 S 0.00000000000000 0.33333333333333 0.22992069567175 32.065 > 10 14 S 0.33333333333333 0.33333333333333 0.22992069567175 32.065 > 10 15 S 0.66666666666667 0.33333333333333 0.22992069567175 32.065 > 10 16 S 0.00000000000000 0.66666666666667 0.22992069567175 32.065 > 10 17 S 0.33333333333333 0.66666666666667 0.22992069567175 32.065 > 10 18 S 0.66666666666667 0.66666666666667 0.22992069567175 32.065 > 10 19 S 0.11111111111111 0.22222222222222 0.43674597099492 32.065 > 1 20 S 0.44444444444444 0.22222222222222 0.43674597099492 32.065 > 1 21 S 0.77777777777778 0.22222222222222 0.43674597099492 32.065 > 1 22 S 0.11111111111111 0.55555555555556 0.43674597099492 32.065 > 1 23 S 0.44444444444444 0.55555555555556 0.43674597099492 32.065 > 1 24 S 0.77777777777778 0.55555555555556 0.43674597099492 32.065 > 1 25 S 0.11111111111111 0.88888888888889 0.43674597099492 32.065 > 1 26 S 0.44444444444444 0.88888888888889 0.43674597099492 32.065 > 1 27 S 0.77777777777778 0.88888888888889 0.43674597099492 32.065 > 1 28 S 0.22222222222222 0.11111111111111 0.56325402900508 32.065 > 10 29 S 0.55555555555556 0.11111111111111 0.56325402900508 32.065 > 10 30 S 0.88888888888889 0.11111111111111 0.56325402900508 32.065 > 10 31 S 0.22222222222222 0.44444444444444 0.56325402900508 32.065 > 10 32 S 0.55555555555556 0.44444444444444 0.56325402900508 32.065 > 10 33 S 0.88888888888889 0.44444444444444 0.56325402900508 32.065 > 10 34 S 0.22222222222222 0.77777777777778 0.56325402900508 32.065 > 10 35 S 0.55555555555556 0.77777777777778 0.56325402900508 32.065 > 10 36 S 0.88888888888889 0.77777777777778 0.56325402900508 32.065 > 10 37 S 0.00000000000000 0.00000000000000 0.77007930432825 32.065 > 1 38 S 0.33333333333333 0.00000000000000 0.77007930432825 32.065 > 1 39 S 0.66666666666667 0.00000000000000 0.77007930432825 32.065 > 1 40 S 0.00000000000000 0.33333333333333 0.77007930432825 32.065 > 1 41 S 0.33333333333333 0.33333333333333 0.77007930432825 32.065 > 1 42 S 0.66666666666667 0.33333333333333 0.77007930432825 32.065 > 1 43 S 0.00000000000000 0.66666666666667 0.77007930432825 32.065 > 1 44 S 0.33333333333333 0.66666666666667 0.77007930432825 32.065 > 1 45 S 0.66666666666667 0.66666666666667 0.77007930432825 32.065 > 1 46 S 0.11111111111111 0.22222222222222 0.89658736233841 32.065 > 10 47 S 0.44444444444444 0.22222222222222 0.89658736233841 32.065 > 10 48 S 0.77777777777778 0.22222222222222 0.89658736233841 32.065 > 10 49 S 0.11111111111111 0.55555555555556 0.89658736233841 32.065 > 10 50 S 0.44444444444444 0.55555555555556 0.89658736233841 32.065 > 10 51 S 0.77777777777778 0.55555555555556 0.89658736233841 32.065 > 10 52 S 0.11111111111111 0.88888888888889 0.89658736233841 32.065 > 10 53 S 0.44444444444444 0.88888888888889 0.89658736233841 32.065 > 10 54 S 0.77777777777778 0.88888888888889 0.89658736233841 32.065 > 10 55 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 > 55 56 Cs 0.33333333333333 0.00000000000000 0.00000000000000 132.905 > 55 57 Cs 0.66666666666667 0.00000000000000 0.00000000000000 132.905 > 55 58 Cs 0.00000000000000 0.33333333333333 0.00000000000000 132.905 > 55 59 Cs 0.33333333333333 0.33333333333333 0.00000000000000 132.905 > 55 60 Cs 0.66666666666667 0.33333333333333 0.00000000000000 132.905 > 55 61 Cs 0.00000000000000 0.66666666666667 0.00000000000000 132.905 > 55 62 Cs 0.33333333333333 0.66666666666667 0.00000000000000 132.905 > 55 63 Cs 0.66666666666667 0.66666666666667 0.00000000000000 132.905 > 55 64 Cs 0.22222222222222 0.11111111111111 0.33333333333333 132.905 > 55 65 Cs 0.55555555555556 0.11111111111111 0.33333333333333 132.905 > 55 66 Cs 0.88888888888889 0.11111111111111 0.33333333333333 132.905 > 55 67 Cs 0.22222222222222 0.44444444444444 0.33333333333333 132.905 > 55 68 Cs 0.55555555555556 0.44444444444444 0.33333333333333 132.905 > 55 69 Cs 0.88888888888889 0.44444444444444 0.33333333333333 132.905 > 55 70 Cs 0.22222222222222 0.77777777777778 0.33333333333333 132.905 > 55 71 Cs 0.55555555555556 0.77777777777778 0.33333333333333 132.905 > 55 72 Cs 0.88888888888889 0.77777777777778 0.33333333333333 132.905 > 55 73 Cs 0.11111111111111 0.22222222222222 0.66666666666667 132.905 > 55 74 Cs 0.44444444444444 0.22222222222222 0.66666666666667 132.905 > 55 75 Cs 0.77777777777778 0.22222222222222 0.66666666666667 132.905 > 55 76 Cs 0.11111111111111 0.55555555555556 0.66666666666667 132.905 > 55 77 Cs 0.44444444444444 0.55555555555556 0.66666666666667 132.905 > 55 78 Cs 0.77777777777778 0.55555555555556 0.66666666666667 132.905 > 55 79 Cs 0.11111111111111 0.88888888888889 0.66666666666667 132.905 > 55 80 Cs 0.44444444444444 0.88888888888889 0.66666666666667 132.905 > 55 81 Cs 0.77777777777778 0.88888888888889 0.66666666666667 132.905 > 55 82 Pr 0.11111111111111 0.22222222222222 0.16666666666667 140.908 > 82 83 Pr 0.44444444444444 0.22222222222222 0.16666666666667 140.908 > 82 84 Pr 0.77777777777778 0.22222222222222 0.16666666666667 140.908 > 82 85 Pr 0.11111111111111 0.55555555555556 0.16666666666667 140.908 > 82 86 Pr 0.44444444444444 0.55555555555556 0.16666666666667 140.908 > 82 87 Pr 0.77777777777778 0.55555555555556 0.16666666666667 140.908 > 82 88 Pr 0.11111111111111 0.88888888888889 0.16666666666667 140.908 > 82 89 Pr 0.44444444444444 0.88888888888889 0.16666666666667 140.908 > 82 90 Pr 0.77777777777778 0.88888888888889 0.16666666666667 140.908 > 82 91 Pr 0.00000000000000 0.00000000000000 0.50000000000000 140.908 > 82 92 Pr 0.33333333333333 0.00000000000000 0.50000000000000 140.908 > 82 93 Pr 0.66666666666667 0.00000000000000 0.50000000000000 140.908 > 82 94 Pr 0.00000000000000 0.33333333333333 0.50000000000000 140.908 > 82 95 Pr 0.33333333333333 0.33333333333333 0.50000000000000 140.908 > 82 96 Pr 0.66666666666667 0.33333333333333 0.50000000000000 140.908 > 82 97 Pr 0.00000000000000 0.66666666666667 0.50000000000000 140.908 > 82 98 Pr 0.33333333333333 0.66666666666667 0.50000000000000 140.908 > 82 99 Pr 0.66666666666667 0.66666666666667 0.50000000000000 140.908 > 82 100 Pr 0.22222222222222 0.11111111111111 0.83333333333333 140.908 > 82 101 Pr 0.55555555555556 0.11111111111111 0.83333333333333 140.908 > 82 102 Pr 0.88888888888889 0.11111111111111 0.83333333333333 140.908 > 82 103 Pr 0.22222222222222 0.44444444444444 0.83333333333333 140.908 > 82 104 Pr 0.55555555555556 0.44444444444444 0.83333333333333 140.908 > 82 105 Pr 0.88888888888889 0.44444444444444 0.83333333333333 140.908 > 82 106 Pr 0.22222222222222 0.77777777777778 0.83333333333333 140.908 > 82 107 Pr 0.55555555555556 0.77777777777778 0.83333333333333 140.908 > 82 108 Pr 0.88888888888889 0.77777777777778 0.83333333333333 140.908 > 82----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 5.6812401 0.0000000 0.0000000 0.0000000 5.6812401 0.0000000 0.0000000 0.0000000 4.6029956-------------------------- Born effective charges -------------------------- 1 S -2.8802184 -0.0000000 0.0000000 -0.0000000 -2.8802184 0.0000000 0.0000000 0.0000000 -2.1198784 2 S -2.8802184 -0.0000000 0.0000000 -0.0000000 -2.8802184 0.0000000 0.0000000 0.0000000 -2.1198784 3 Cs 1.1208353 0.0000000 0.0000000 -0.0000000 1.1208353 0.0000000 0.0000000 0.0000000 2.1338807 4 Pr 4.6396015 0.0000000 0.0000000 0.0000000 4.6396015 0.0000000 0.0000000 0.0000000 2.1058761----------------------------------------------------------------------------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 (xxz) -0.00000000 (xxz) -0.00000000 (xzx)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 23:12:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 23:12:12]-------------------------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 2.108699933219467 1.217458474084403 7.964034056666659 b -2.108699933219462 1.217458474084403 7.964034056666659 c 0.000000000000002 -2.434916948168809 7.964034056666659Atomic positions (fractional): 1 S 0.77007930432825 0.77007930432825 0.77007930432825 32.065 2 S 0.22992069567175 0.22992069567175 0.22992069567175 32.065 3 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 4 Pr 0.50000000000000 0.50000000000000 0.50000000000000 140.908-------------------------------- supercell ---------------------------------Lattice vectors: a 12.652199599316788 0.000000000000000 0.000000000000000 b -6.326099799658392 10.957126266759634 0.000000000000000 c 0.000000000000000 0.000000000000000 23.892102170000001Atomic positions (fractional): 1 S 0.22222222222222 0.11111111111111 0.10341263766158 32.065 > 1 2 S 0.55555555555556 0.11111111111111 0.10341263766158 32.065 > 1 3 S 0.88888888888889 0.11111111111111 0.10341263766158 32.065 > 1 4 S 0.22222222222222 0.44444444444444 0.10341263766158 32.065 > 1 5 S 0.55555555555556 0.44444444444444 0.10341263766158 32.065 > 1 6 S 0.88888888888889 0.44444444444444 0.10341263766158 32.065 > 1 7 S 0.22222222222222 0.77777777777778 0.10341263766158 32.065 > 1 8 S 0.55555555555556 0.77777777777778 0.10341263766158 32.065 > 1 9 S 0.88888888888889 0.77777777777778 0.10341263766158 32.065 > 1 10 S 0.00000000000000 0.00000000000000 0.22992069567175 32.065 > 10 11 S 0.33333333333333 0.00000000000000 0.22992069567175 32.065 > 10 12 S 0.66666666666667 0.00000000000000 0.22992069567175 32.065 > 10 13 S 0.00000000000000 0.33333333333333 0.22992069567175 32.065 > 10 14 S 0.33333333333333 0.33333333333333 0.22992069567175 32.065 > 10 15 S 0.66666666666667 0.33333333333333 0.22992069567175 32.065 > 10 16 S 0.00000000000000 0.66666666666667 0.22992069567175 32.065 > 10 17 S 0.33333333333333 0.66666666666667 0.22992069567175 32.065 > 10 18 S 0.66666666666667 0.66666666666667 0.22992069567175 32.065 > 10 19 S 0.11111111111111 0.22222222222222 0.43674597099492 32.065 > 1 20 S 0.44444444444444 0.22222222222222 0.43674597099492 32.065 > 1 21 S 0.77777777777778 0.22222222222222 0.43674597099492 32.065 > 1 22 S 0.11111111111111 0.55555555555556 0.43674597099492 32.065 > 1 23 S 0.44444444444444 0.55555555555556 0.43674597099492 32.065 > 1 24 S 0.77777777777778 0.55555555555556 0.43674597099492 32.065 > 1 25 S 0.11111111111111 0.88888888888889 0.43674597099492 32.065 > 1 26 S 0.44444444444444 0.88888888888889 0.43674597099492 32.065 > 1 27 S 0.77777777777778 0.88888888888889 0.43674597099492 32.065 > 1 28 S 0.22222222222222 0.11111111111111 0.56325402900508 32.065 > 10 29 S 0.55555555555556 0.11111111111111 0.56325402900508 32.065 > 10 30 S 0.88888888888889 0.11111111111111 0.56325402900508 32.065 > 10 31 S 0.22222222222222 0.44444444444444 0.56325402900508 32.065 > 10 32 S 0.55555555555556 0.44444444444444 0.56325402900508 32.065 > 10 33 S 0.88888888888889 0.44444444444444 0.56325402900508 32.065 > 10 34 S 0.22222222222222 0.77777777777778 0.56325402900508 32.065 > 10 35 S 0.55555555555556 0.77777777777778 0.56325402900508 32.065 > 10 36 S 0.88888888888889 0.77777777777778 0.56325402900508 32.065 > 10 37 S 0.00000000000000 0.00000000000000 0.77007930432825 32.065 > 1 38 S 0.33333333333333 0.00000000000000 0.77007930432825 32.065 > 1 39 S 0.66666666666667 0.00000000000000 0.77007930432825 32.065 > 1 40 S 0.00000000000000 0.33333333333333 0.77007930432825 32.065 > 1 41 S 0.33333333333333 0.33333333333333 0.77007930432825 32.065 > 1 42 S 0.66666666666667 0.33333333333333 0.77007930432825 32.065 > 1 43 S 0.00000000000000 0.66666666666667 0.77007930432825 32.065 > 1 44 S 0.33333333333333 0.66666666666667 0.77007930432825 32.065 > 1 45 S 0.66666666666667 0.66666666666667 0.77007930432825 32.065 > 1 46 S 0.11111111111111 0.22222222222222 0.89658736233841 32.065 > 10 47 S 0.44444444444444 0.22222222222222 0.89658736233841 32.065 > 10 48 S 0.77777777777778 0.22222222222222 0.89658736233841 32.065 > 10 49 S 0.11111111111111 0.55555555555556 0.89658736233841 32.065 > 10 50 S 0.44444444444444 0.55555555555556 0.89658736233841 32.065 > 10 51 S 0.77777777777778 0.55555555555556 0.89658736233841 32.065 > 10 52 S 0.11111111111111 0.88888888888889 0.89658736233841 32.065 > 10 53 S 0.44444444444444 0.88888888888889 0.89658736233841 32.065 > 10 54 S 0.77777777777778 0.88888888888889 0.89658736233841 32.065 > 10 55 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 > 55 56 Cs 0.33333333333333 0.00000000000000 0.00000000000000 132.905 > 55 57 Cs 0.66666666666667 0.00000000000000 0.00000000000000 132.905 > 55 58 Cs 0.00000000000000 0.33333333333333 0.00000000000000 132.905 > 55 59 Cs 0.33333333333333 0.33333333333333 0.00000000000000 132.905 > 55 60 Cs 0.66666666666667 0.33333333333333 0.00000000000000 132.905 > 55 61 Cs 0.00000000000000 0.66666666666667 0.00000000000000 132.905 > 55 62 Cs 0.33333333333333 0.66666666666667 0.00000000000000 132.905 > 55 63 Cs 0.66666666666667 0.66666666666667 0.00000000000000 132.905 > 55 64 Cs 0.22222222222222 0.11111111111111 0.33333333333333 132.905 > 55 65 Cs 0.55555555555556 0.11111111111111 0.33333333333333 132.905 > 55 66 Cs 0.88888888888889 0.11111111111111 0.33333333333333 132.905 > 55 67 Cs 0.22222222222222 0.44444444444444 0.33333333333333 132.905 > 55 68 Cs 0.55555555555556 0.44444444444444 0.33333333333333 132.905 > 55 69 Cs 0.88888888888889 0.44444444444444 0.33333333333333 132.905 > 55 70 Cs 0.22222222222222 0.77777777777778 0.33333333333333 132.905 > 55 71 Cs 0.55555555555556 0.77777777777778 0.33333333333333 132.905 > 55 72 Cs 0.88888888888889 0.77777777777778 0.33333333333333 132.905 > 55 73 Cs 0.11111111111111 0.22222222222222 0.66666666666667 132.905 > 55 74 Cs 0.44444444444444 0.22222222222222 0.66666666666667 132.905 > 55 75 Cs 0.77777777777778 0.22222222222222 0.66666666666667 132.905 > 55 76 Cs 0.11111111111111 0.55555555555556 0.66666666666667 132.905 > 55 77 Cs 0.44444444444444 0.55555555555556 0.66666666666667 132.905 > 55 78 Cs 0.77777777777778 0.55555555555556 0.66666666666667 132.905 > 55 79 Cs 0.11111111111111 0.88888888888889 0.66666666666667 132.905 > 55 80 Cs 0.44444444444444 0.88888888888889 0.66666666666667 132.905 > 55 81 Cs 0.77777777777778 0.88888888888889 0.66666666666667 132.905 > 55 82 Pr 0.11111111111111 0.22222222222222 0.16666666666667 140.908 > 82 83 Pr 0.44444444444444 0.22222222222222 0.16666666666667 140.908 > 82 84 Pr 0.77777777777778 0.22222222222222 0.16666666666667 140.908 > 82 85 Pr 0.11111111111111 0.55555555555556 0.16666666666667 140.908 > 82 86 Pr 0.44444444444444 0.55555555555556 0.16666666666667 140.908 > 82 87 Pr 0.77777777777778 0.55555555555556 0.16666666666667 140.908 > 82 88 Pr 0.11111111111111 0.88888888888889 0.16666666666667 140.908 > 82 89 Pr 0.44444444444444 0.88888888888889 0.16666666666667 140.908 > 82 90 Pr 0.77777777777778 0.88888888888889 0.16666666666667 140.908 > 82 91 Pr 0.00000000000000 0.00000000000000 0.50000000000000 140.908 > 82 92 Pr 0.33333333333333 0.00000000000000 0.50000000000000 140.908 > 82 93 Pr 0.66666666666667 0.00000000000000 0.50000000000000 140.908 > 82 94 Pr 0.00000000000000 0.33333333333333 0.50000000000000 140.908 > 82 95 Pr 0.33333333333333 0.33333333333333 0.50000000000000 140.908 > 82 96 Pr 0.66666666666667 0.33333333333333 0.50000000000000 140.908 > 82 97 Pr 0.00000000000000 0.66666666666667 0.50000000000000 140.908 > 82 98 Pr 0.33333333333333 0.66666666666667 0.50000000000000 140.908 > 82 99 Pr 0.66666666666667 0.66666666666667 0.50000000000000 140.908 > 82 100 Pr 0.22222222222222 0.11111111111111 0.83333333333333 140.908 > 82 101 Pr 0.55555555555556 0.11111111111111 0.83333333333333 140.908 > 82 102 Pr 0.88888888888889 0.11111111111111 0.83333333333333 140.908 > 82 103 Pr 0.22222222222222 0.44444444444444 0.83333333333333 140.908 > 82 104 Pr 0.55555555555556 0.44444444444444 0.83333333333333 140.908 > 82 105 Pr 0.88888888888889 0.44444444444444 0.83333333333333 140.908 > 82 106 Pr 0.22222222222222 0.77777777777778 0.83333333333333 140.908 > 82 107 Pr 0.55555555555556 0.77777777777778 0.83333333333333 140.908 > 82 108 Pr 0.88888888888889 0.77777777777778 0.83333333333333 140.908 > 82----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 5.6812401 0.0000000 0.0000000 0.0000000 5.6812401 0.0000000 0.0000000 0.0000000 4.6029956-------------------------- Born effective charges -------------------------- 1 S -2.8802184 -0.0000000 0.0000000 -0.0000000 -2.8802184 0.0000000 0.0000000 0.0000000 -2.1198784 2 S -2.8802184 -0.0000000 0.0000000 -0.0000000 -2.8802184 0.0000000 0.0000000 0.0000000 -2.1198784 3 Cs 1.1208353 0.0000000 0.0000000 -0.0000000 1.1208353 0.0000000 0.0000000 0.0000000 2.1338807 4 Pr 4.6396015 0.0000000 0.0000000 0.0000000 4.6396015 0.0000000 0.0000000 0.0000000 2.1058761----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000000 (xxz) -0.00000000 (xxz) -0.00000000 (xzx)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 ... [ 14 14 14 ]fc3-r2q-transformation over three atoms: True--------------------------- Phonon calculations ----------------------------Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.84, Number of G-points: 301, Lambda: 0.20Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/288) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 288Calculating 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 1.712 ( 0.000 0.000 0.000) 0.000 1.712 ( 0.000 0.000 0.000) 0.000 2.979 ( 0.000 0.000 0.000) 0.000 4.774 ( 0.000 0.000 0.000) 0.000 4.774 ( 0.000 0.000 0.000) 0.000 6.049 ( 0.000 0.000 0.000) 0.000 6.049 ( 0.000 0.000 0.000) 0.000 6.427 ( 0.000 0.000 0.000) 0.000 7.535 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/288) =======================q-point: ( 0.07 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.388 ( 17.775 10.262 -5.461) 21.239 0.411 ( 18.336 10.586 -3.864) 21.522 0.808 ( 31.970 18.458 13.546) 39.323 1.728 ( 1.406 0.812 0.553) 1.715 1.800 ( 7.944 4.587 -1.890) 9.366 2.973 ( -1.089 -0.629 1.352) 1.847 4.802 ( 2.372 1.369 0.253) 2.750 6.005 ( -3.705 -2.139 -0.049) 4.279 6.023 ( -2.217 -1.280 -0.002) 2.560 6.420 ( 3.108 1.794 -14.246) 14.691 7.449 ( -7.299 -4.214 2.060) 8.676 8.116 ( -0.041 -0.023 -3.781) 3.781======================= Grid point 2 (3/288) =======================q-point: ( 0.14 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.762 ( 16.452 9.499 -5.185) 19.692 0.796 ( 16.868 9.739 -5.648) 20.280 1.443 ( 18.948 10.940 10.667) 24.341 1.783 ( 3.339 1.928 1.108) 4.012 2.110 ( 21.211 12.246 -2.271) 24.597 2.942 ( -1.741 -1.005 -0.775) 2.155 4.881 ( 4.534 2.618 0.274) 5.242 5.892 ( -5.875 -3.392 -0.592) 6.810 5.956 ( -3.424 -1.977 0.058) 3.954 6.449 ( 1.718 0.992 -4.692) 5.094 7.248 ( -10.734 -6.197 3.533) 12.888 8.071 ( -2.829 -1.633 -5.715) 6.582======================= Grid point 3 (4/288) =======================q-point: ( 0.21 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.082 ( 12.753 7.363 -4.670) 15.448 1.134 ( 14.706 8.491 -7.677) 18.636 1.747 ( 8.010 4.624 5.080) 10.552 1.894 ( 6.339 3.660 1.456) 7.463 2.668 ( 23.383 13.500 -3.596) 27.239 2.910 ( 1.356 0.783 3.244) 3.602 5.001 ( 5.806 3.352 -0.010) 6.704 5.751 ( -5.936 -3.427 -1.570) 7.032 5.881 ( -2.906 -1.678 0.226) 3.363 6.457 ( -0.591 -0.341 -0.095) 0.689 7.002 ( -11.813 -6.820 3.810) 14.162 7.958 ( -5.179 -2.990 -7.205) 9.364======================= Grid point 4 (5/288) =======================q-point: ( 0.29 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.298 ( 7.506 4.334 -3.598) 9.385 1.416 ( 12.625 7.289 -8.949) 17.106 1.890 ( 4.205 2.428 2.301) 5.373 2.076 ( 9.042 5.220 1.202) 10.510 2.762 ( -4.198 -2.424 -0.743) 4.904 3.318 ( 22.516 12.999 2.746) 26.143 5.128 ( 5.137 2.966 -0.452) 5.949 5.634 ( -3.495 -2.018 -2.518) 4.757 5.841 ( -0.549 -0.317 0.470) 0.789 6.413 ( -3.780 -2.182 2.681) 5.122 6.743 ( -11.662 -6.733 1.591) 13.559 7.817 ( -4.894 -2.826 -6.548) 8.650======================= Grid point 5 (6/288) =======================q-point: ( 0.36 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.412 ( 3.695 2.133 -2.264) 4.830 1.658 ( 11.346 6.551 -8.698) 15.726 1.967 ( 2.399 1.385 1.005) 2.947 2.284 ( 8.493 4.903 0.655) 9.828 2.628 ( -7.840 -4.526 3.458) 9.691 3.755 ( 15.207 8.780 0.521) 17.568 5.217 ( 2.792 1.612 -0.681) 3.296 5.593 ( 0.702 0.405 -2.745) 2.862 5.862 ( 2.096 1.210 0.567) 2.486 6.290 ( -8.673 -5.008 4.633) 11.035 6.512 ( -7.513 -4.338 -2.565) 9.047 7.713 ( -2.828 -1.633 -3.877) 5.069======================= Grid point 6 (7/288) =======================q-point: ( 0.43 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.464 ( 1.517 0.876 -1.072) 2.054 1.879 ( 9.901 5.716 -6.357) 13.081 2.013 ( 1.910 1.102 -0.602) 2.286 2.437 ( -9.787 -5.651 5.466) 12.553 2.441 ( 4.939 2.852 0.258) 5.709 4.004 ( 7.015 4.050 -0.335) 8.108 5.255 ( 0.929 0.536 -0.467) 1.170 5.649 ( 4.707 2.718 -1.981) 5.785 5.919 ( 2.241 1.294 0.358) 2.613 6.062 ( -11.062 -6.386 2.207) 12.962 6.406 ( -2.042 -1.179 -1.702) 2.908 7.663 ( -1.082 -0.625 -1.422) 1.893======================= Grid point 7 (8/288) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.479 ( 0.000 0.000 0.000) 0.000 1.991 ( 0.000 0.000 0.000) 0.000 2.070 ( 0.000 0.000 0.000) 0.000 2.287 ( 0.000 0.000 0.000) 0.000 2.498 ( 0.000 0.000 0.000) 0.000 4.080 ( 0.000 0.000 0.000) 0.000 5.264 ( 0.000 0.000 0.000) 0.000 5.748 ( 0.000 0.000 0.000) 0.000 5.887 ( 0.000 0.000 0.000) 0.000 5.947 ( 0.000 0.000 0.000) 0.000 6.383 ( 0.000 0.000 0.000) 0.000 7.650 ( 0.000 0.000 0.000) 0.000======================= Grid point 16 (9/288) =======================q-point: ( 0.07 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.478 ( -0.000 19.870 13.556) 24.053 0.490 ( -0.000 21.723 9.507) 23.712 0.760 ( -0.000 34.962 5.361) 35.370 1.715 ( 0.000 1.080 -2.543) 2.763 1.807 ( 0.000 9.731 -0.174) 9.732 2.979 ( -0.000 -2.535 2.479) 3.546 4.802 ( -0.000 2.724 0.248) 2.735 6.001 ( 0.000 -4.172 -1.124) 4.321 6.021 ( 0.000 -2.613 -0.302) 2.631 6.353 ( 0.000 9.252 -26.753) 28.307 7.456 ( -0.000 -8.594 3.162) 9.157 8.110 ( 0.000 0.939 -4.552) 4.648======================= Grid point 17 (10/288) =======================q-point: ( 0.14 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.635 ( 2.371 16.889 10.049) 19.795 0.832 ( 6.039 23.031 -2.186) 23.910 1.292 ( 17.999 19.453 10.838) 28.633 1.750 ( 3.169 2.151 -2.124) 4.379 1.997 ( 8.562 17.513 -1.416) 19.545 2.947 ( -1.023 -2.011 -1.373) 2.642 4.856 ( 2.364 4.025 0.469) 4.691 5.929 ( -2.965 -5.170 -0.729) 6.004 5.972 ( -1.738 -3.375 -0.324) 3.810 6.395 ( 3.137 3.273 -12.593) 13.384 7.319 ( -5.638 -10.578 4.253) 12.719 8.083 ( -2.056 -0.662 -5.340) 5.760======================= Grid point 18 (11/288) =======================q-point: ( 0.21 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.906 ( 9.437 11.515 3.070) 15.201 1.131 ( 5.803 19.285 -5.238) 20.809 1.669 ( 9.316 6.548 6.410) 13.067 1.853 ( 5.047 5.396 -0.115) 7.390 2.453 ( 19.734 22.365 -1.800) 29.880 2.907 ( -0.401 -1.581 -0.624) 1.746 4.960 ( 4.183 5.295 0.489) 6.766 5.805 ( -5.150 -4.765 -1.267) 7.130 5.905 ( -2.186 -2.836 -0.077) 3.581 6.431 ( 2.253 -0.156 -4.988) 5.475 7.105 ( -8.537 -10.725 4.837) 14.536 7.990 ( -4.730 -2.797 -6.751) 8.705======================= Grid point 19 (12/288) =======================q-point: ( 0.29 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.165 ( 9.534 7.013 -0.995) 11.877 1.369 ( 5.092 14.401 -6.471) 16.589 1.841 ( 5.248 2.631 2.703) 6.463 2.025 ( 6.500 9.253 0.828) 11.338 2.772 ( 0.403 0.041 -4.642) 4.660 3.114 ( 19.146 16.470 4.601) 25.671 5.094 ( 4.436 6.275 0.202) 7.687 5.672 ( -4.670 -3.388 -2.096) 6.138 5.853 ( -1.360 -1.067 0.113) 1.732 6.430 ( -0.138 -2.238 -1.076) 2.487 6.857 ( -10.157 -10.168 3.887) 14.889 7.845 ( -5.230 -4.013 -6.902) 9.544======================= Grid point 20 (13/288) =======================q-point: ( 0.36 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.349 ( 6.114 4.196 -1.896) 7.654 1.561 ( 6.300 10.383 -7.366) 14.204 1.933 ( 3.208 0.952 1.287) 3.586 2.241 ( 6.324 10.670 0.854) 12.432 2.704 ( -4.380 -2.957 0.614) 5.320 3.592 ( 16.509 13.099 1.614) 21.136 5.218 ( 2.289 6.538 -0.270) 6.932 5.586 ( -1.483 -1.308 -2.522) 3.205 5.848 ( 0.852 0.834 0.318) 1.234 6.376 ( -3.612 -2.865 1.858) 4.971 6.591 ( -10.210 -9.023 -0.048) 13.626 7.716 ( -2.815 -4.027 -4.757) 6.839======================= Grid point 21 (14/288) =======================q-point: ( 0.43 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.448 ( 2.267 3.109 -1.346) 4.077 1.754 ( 8.782 7.450 -7.192) 13.578 1.984 ( 2.108 0.022 0.375) 2.141 2.409 ( 2.108 4.047 1.882) 4.936 2.596 ( -6.832 2.764 2.421) 7.758 3.914 ( 9.612 6.965 0.292) 11.874 5.292 ( -0.753 6.389 -0.537) 6.456 5.589 ( 3.041 0.535 -2.108) 3.738 5.890 ( 2.210 1.278 0.356) 2.577 6.222 ( -11.769 -4.202 3.395) 12.950 6.404 ( -1.992 -4.533 -3.250) 5.922 7.646 ( -0.123 -3.504 -1.969) 4.022======================= Grid point 22 (15/288) =======================q-point: ( 0.50 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.489 ( -0.003 2.325 -0.617) 2.405 1.943 ( 7.416 3.627 -4.288) 9.303 2.013 ( 2.330 -0.376 -1.780) 2.956 2.344 ( -5.956 -4.846 4.399) 8.849 2.603 ( -4.650 11.823 0.201) 12.706 4.064 ( 3.121 1.953 0.230) 3.689 5.321 ( -2.694 6.189 -0.366) 6.760 5.672 ( 5.802 -0.030 -1.158) 5.916 5.918 ( -0.931 -0.584 0.320) 1.145 6.014 ( -7.634 0.068 1.094) 7.713 6.364 ( 0.751 -2.035 -1.064) 2.417 7.623 ( 1.311 -2.947 -0.193) 3.232======================= Grid point 23 (16/288) =======================q-point: (-0.43 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.493 ( -1.568 1.316 0.241) 2.061 1.967 ( -3.319 -2.635 1.253) 4.419 2.027 ( -1.318 -3.543 0.854) 3.876 2.311 ( 5.149 2.360 -2.694) 6.272 2.601 ( -8.228 9.832 -0.328) 12.825 4.066 ( -3.222 -1.738 0.695) 3.727 5.323 ( -3.792 5.508 0.059) 6.688 5.681 ( -2.045 -4.866 0.801) 5.339 5.919 ( 0.674 0.946 0.687) 1.349 6.003 ( 2.984 5.968 -1.303) 6.798 6.371 ( 2.140 -1.283 0.450) 2.535 7.629 ( 2.320 -2.355 1.036) 3.465======================= Grid point 24 (17/288) =======================q-point: (-0.36 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.460 ( -3.272 -0.465 1.282) 3.545 1.816 ( -9.623 -4.211 6.353) 12.276 1.979 ( -1.379 -2.194 -0.803) 2.713 2.391 ( -2.340 -0.125 -2.097) 3.144 2.572 ( -0.790 8.385 -2.793) 8.873 3.915 ( -11.236 -5.072 0.458) 12.336 5.296 ( -5.030 3.745 0.416) 6.285 5.609 ( -1.554 -2.381 2.304) 3.660 5.889 ( -2.580 -1.059 0.018) 2.789 6.189 ( 8.472 7.443 -3.901) 11.932 6.428 ( 5.679 -0.042 2.070) 6.045 7.668 ( 3.930 -1.257 2.767) 4.968======================= Grid point 25 (18/288) =======================q-point: (-0.29 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.370 ( -6.030 -3.728 2.731) 7.597 1.628 ( -11.685 -1.363 7.373) 13.884 1.919 ( -2.777 -2.484 -1.767) 4.123 2.233 ( -12.383 -0.220 -0.937) 12.420 2.693 ( 6.128 3.563 -1.924) 7.345 3.581 ( -20.532 -8.076 -0.820) 22.079 5.221 ( -6.822 0.971 0.434) 6.904 5.609 ( 1.890 0.408 2.568) 3.214 5.845 ( -1.274 -0.085 -0.316) 1.316 6.348 ( 5.320 3.284 -4.148) 7.503 6.594 ( 11.167 2.928 0.514) 11.556 7.760 ( 6.016 0.542 4.753) 7.686======================= Grid point 26 (19/288) =======================q-point: (-0.21 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.187 ( -10.640 -7.026 3.804) 13.306 1.430 ( -14.826 1.633 6.852) 16.414 1.814 ( -5.855 -3.307 -3.107) 7.408 2.015 ( -11.342 -0.730 -1.298) 11.439 2.806 ( 3.391 1.252 2.446) 4.364 3.077 ( -26.669 -9.006 -3.440) 28.358 5.094 ( -7.722 -1.030 0.160) 7.792 5.689 ( 5.027 2.019 1.762) 5.696 5.851 ( 1.618 0.820 -0.317) 1.841 6.425 ( 2.984 0.600 -2.096) 3.696 6.831 ( 12.865 3.353 -1.829) 13.420 7.900 ( 6.874 1.782 5.170) 8.784======================= Grid point 27 (20/288) =======================q-point: (-0.14 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.905 ( -15.165 -6.909 2.855) 16.907 1.181 ( -19.504 2.612 5.597) 20.458 1.617 ( -12.734 -4.228 -4.649) 14.200 1.849 ( -6.907 -0.577 -1.034) 7.008 2.466 ( -29.955 -6.275 0.946) 30.620 2.908 ( 3.244 0.398 -0.408) 3.294 4.958 ( -6.727 -1.129 -0.055) 6.821 5.813 ( 6.486 1.806 0.653) 6.764 5.905 ( 3.610 0.628 -0.168) 3.668 6.454 ( 0.870 -0.304 -0.032) 0.922 7.075 ( 13.084 2.345 -1.648) 13.394 8.035 ( 5.196 1.304 3.276) 6.279======================= Grid point 28 (21/288) =======================q-point: (-0.07 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.588 ( -17.408 0.000 0.000) 17.408 0.846 ( -23.122 0.000 0.000) 23.122 1.239 ( -27.818 0.000 0.000) 27.818 1.760 ( -3.332 0.000 0.000) 3.332 2.003 ( -19.263 0.000 0.000) 19.263 2.953 ( 1.768 -0.000 -0.000) 1.768 4.854 ( -4.671 0.000 0.000) 4.671 5.932 ( 5.972 -0.000 -0.000) 5.972 5.973 ( 3.829 -0.000 -0.000) 3.829 6.454 ( -0.641 0.000 0.000) 0.641 7.299 ( 11.740 -0.000 -0.000) 11.740 8.109 ( 2.086 -0.000 -0.000) 2.086======================= Grid point 31 (22/288) =======================q-point: ( 0.14 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.926 ( -0.000 17.620 11.941) 21.285 0.953 ( -0.000 20.100 7.476) 21.445 1.365 ( -0.000 22.142 5.185) 22.741 1.730 ( 0.000 3.086 -4.795) 5.702 2.128 ( 0.000 23.839 -0.429) 23.843 2.926 ( 0.000 -2.900 -2.569) 3.874 4.884 ( -0.000 5.375 0.520) 5.400 5.890 ( 0.000 -6.060 -0.857) 6.120 5.950 ( 0.000 -4.097 -0.561) 4.135 6.362 ( 0.000 3.256 -12.642) 13.054 7.260 ( -0.000 -13.164 4.194) 13.816 8.083 ( 0.000 -1.181 -4.381) 4.537======================= Grid point 32 (23/288) =======================q-point: ( 0.21 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.040 ( -3.751 16.263 10.917) 19.943 1.232 ( 3.920 18.081 -0.142) 18.501 1.625 ( 6.325 9.909 5.384) 12.930 1.809 ( 5.837 6.381 -3.008) 9.156 2.457 ( 8.439 27.887 -1.988) 29.204 2.886 ( 0.047 -2.399 -1.901) 3.061 4.964 ( 2.416 6.552 0.763) 7.025 5.812 ( -2.184 -5.834 -0.748) 6.274 5.898 ( -0.951 -3.578 -0.484) 3.734 6.368 ( 2.135 0.035 -8.416) 8.683 7.104 ( -3.933 -13.587 4.279) 14.777 8.020 ( -3.633 -2.704 -4.728) 6.547======================= Grid point 33 (24/288) =======================q-point: ( 0.29 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.182 ( 0.752 12.016 5.986) 13.446 1.437 ( 2.401 14.496 -3.983) 15.224 1.790 ( 4.883 3.864 2.255) 6.623 2.011 ( 7.534 10.630 0.336) 13.033 2.743 ( 1.893 2.497 -7.321) 7.963 3.032 ( 12.632 19.341 4.900) 23.614 5.095 ( 4.085 7.843 1.041) 8.904 5.703 ( -3.942 -4.416 -1.454) 6.096 5.857 ( -0.569 -1.705 -0.364) 1.834 6.374 ( 2.234 -2.835 -4.798) 6.004 6.899 ( -6.423 -12.778 4.159) 14.894 7.885 ( -6.178 -4.120 -5.338) 9.145======================= Grid point 34 (25/288) =======================q-point: ( 0.36 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.326 ( 2.990 8.126 2.063) 8.901 1.582 ( 2.105 10.774 -5.391) 12.230 1.890 ( 3.426 1.317 1.351) 3.911 2.255 ( 6.689 12.630 1.076) 14.332 2.720 ( -0.547 -1.837 -2.178) 2.901 3.481 ( 14.257 17.538 2.117) 22.701 5.248 ( 3.501 8.762 0.990) 9.487 5.601 ( -3.069 -2.401 -1.985) 4.373 5.848 ( 0.296 0.734 -0.611) 0.999 6.357 ( 1.164 -3.948 -2.659) 4.900 6.664 ( -8.691 -11.186 3.044) 14.488 7.722 ( -5.223 -4.885 -4.725) 8.571======================= Grid point 35 (26/288) =======================q-point: ( 0.43 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.448 ( 2.474 5.994 0.457) 6.500 1.704 ( 3.979 7.953 -5.623) 10.522 1.946 ( 2.366 -0.102 0.728) 2.477 2.429 ( 1.464 3.610 2.456) 4.605 2.724 ( -0.849 8.466 0.084) 8.509 3.828 ( 10.004 9.773 0.712) 14.003 5.373 ( 0.659 8.692 0.534) 8.734 5.555 ( 0.150 -0.353 -1.835) 1.875 5.876 ( 1.425 2.108 -0.844) 2.680 6.328 ( -0.193 -2.548 -0.508) 2.605 6.408 ( -9.981 -8.983 0.319) 13.432 7.604 ( -1.447 -5.099 -2.716) 5.956======================= Grid point 36 (27/288) =======================q-point: ( 0.50 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.522 ( 0.062 4.775 -0.097) 4.776 1.845 ( 6.548 5.092 -4.966) 9.668 1.975 ( 1.523 -0.945 0.025) 1.793 2.395 ( -3.889 -4.321 3.811) 6.951 2.832 ( -3.818 17.471 -0.027) 17.884 4.017 ( 5.168 2.923 0.386) 5.950 5.443 ( -2.230 8.393 0.180) 8.686 5.584 ( 3.556 -0.056 -1.133) 3.732 5.919 ( 1.318 1.982 -1.038) 2.597 6.158 ( -10.295 -3.999 1.256) 11.116 6.322 ( 1.223 -1.812 -1.346) 2.567 7.554 ( 1.671 -4.967 -0.793) 5.300======================= Grid point 37 (28/288) =======================q-point: (-0.43 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.547 ( -1.898 3.643 0.031) 4.107 1.959 ( 3.461 -0.206 -2.088) 4.048 1.980 ( 0.986 -1.730 -1.325) 2.392 2.304 ( -2.472 -1.350 2.145) 3.540 2.889 ( -9.623 16.517 -0.258) 19.118 4.075 ( 0.807 -1.245 0.752) 1.663 5.466 ( -4.396 7.604 0.053) 8.783 5.631 ( 2.437 -3.047 -0.084) 3.903 5.961 ( 0.189 5.064 -0.202) 5.072 6.016 ( -2.772 -0.934 0.200) 2.932 6.326 ( 1.205 -1.140 -0.402) 1.707 7.549 ( 3.165 -4.514 0.489) 5.535======================= Grid point 38 (29/288) =======================q-point: (-0.36 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.528 ( -3.713 1.844 0.466) 4.172 1.918 ( -4.795 -3.167 2.769) 6.378 1.964 ( -0.025 -2.660 -1.441) 3.026 2.335 ( 4.450 1.627 -2.150) 5.203 2.827 ( -13.534 12.163 -0.518) 18.204 4.021 ( -5.320 -3.169 0.842) 6.249 5.444 ( -5.851 5.498 0.244) 8.033 5.605 ( -0.736 -3.017 1.070) 3.285 5.943 ( -3.828 1.090 1.468) 4.242 6.117 ( 7.509 6.481 -3.130) 10.401 6.344 ( 3.064 -1.930 0.905) 3.733 7.578 ( 4.579 -3.403 1.645) 5.937======================= Grid point 39 (30/288) =======================q-point: (-0.29 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.455 ( -5.886 -0.754 1.104) 6.036 1.799 ( -7.603 -0.916 4.443) 8.853 1.925 ( -1.237 -2.353 -1.667) 3.138 2.389 ( -1.809 0.681 -1.664) 2.550 2.713 ( -7.616 6.416 -1.120) 10.021 3.823 ( -14.411 -4.100 0.235) 14.985 5.371 ( -7.846 2.889 0.313) 8.367 5.588 ( 0.985 -1.032 1.574) 2.124 5.889 ( -3.622 0.850 0.538) 3.759 6.282 ( 5.383 4.336 -4.373) 8.180 6.432 ( 9.363 -0.617 1.884) 9.570 7.656 ( 6.787 -1.433 2.625) 7.417======================= Grid point 40 (31/288) =======================q-point: (-0.21 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.320 ( -8.896 -2.047 1.388) 9.233 1.666 ( -9.860 0.940 3.350) 10.456 1.861 ( -3.452 -1.801 -1.507) 4.175 2.239 ( -13.808 0.662 -0.494) 13.833 2.738 ( 4.437 1.522 -0.435) 4.711 3.455 ( -24.077 -3.598 -0.476) 24.349 5.239 ( -9.325 0.507 0.119) 9.339 5.630 ( 3.778 0.367 1.076) 3.945 5.853 ( -1.299 0.630 0.009) 1.443 6.368 ( 3.706 0.795 -1.769) 4.183 6.632 ( 12.525 0.963 -0.233) 12.564 7.789 ( 8.399 0.178 2.271) 8.702======================= Grid point 41 (32/288) =======================q-point: (-0.14 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.124 ( -12.985 0.000 0.000) 12.985 1.483 ( -13.682 0.000 0.000) 13.682 1.759 ( -7.286 0.000 0.000) 7.286 2.009 ( -12.280 0.000 0.000) 12.280 2.835 ( 5.300 -0.000 -0.000) 5.300 2.963 ( -30.546 0.000 0.000) 30.546 5.085 ( -8.718 0.000 0.000) 8.718 5.718 ( 5.736 -0.000 -0.000) 5.736 5.860 ( 1.687 -0.000 -0.000) 1.687 6.422 ( 2.615 -0.000 -0.000) 2.615 6.857 ( 13.355 -0.000 -0.000) 13.355 7.936 ( 7.722 -0.000 -0.000) 7.722======================= Grid point 46 (33/288) =======================q-point: ( 0.21 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.275 ( -0.000 10.689 8.038) 13.374 1.350 ( -0.000 16.598 3.950) 17.061 1.700 ( -0.000 10.576 4.856) 11.637 1.805 ( 0.000 8.494 -4.816) 9.764 2.648 ( 0.000 22.225 -6.625) 23.191 2.872 ( -0.000 4.381 1.950) 4.796 5.011 ( -0.000 6.970 0.617) 6.997 5.772 ( -0.000 -5.276 -0.075) 5.276 5.868 ( 0.000 -3.473 -0.598) 3.524 6.319 ( 0.000 -1.310 -8.085) 8.190 7.009 ( -0.000 -14.506 3.359) 14.890 8.013 ( 0.000 -3.421 -3.526) 4.913======================= Grid point 47 (34/288) =======================q-point: ( 0.29 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.340 ( -2.925 8.234 5.645) 10.402 1.530 ( 1.697 12.805 -0.784) 12.941 1.793 ( 0.685 6.434 2.266) 6.855 1.981 ( 8.028 11.541 -0.493) 14.068 2.704 ( 0.653 -2.307 -7.938) 8.292 3.109 ( 5.848 25.792 4.226) 26.782 5.110 ( 3.236 7.328 0.821) 8.053 5.709 ( -2.069 -4.018 -0.424) 4.539 5.840 ( 0.155 -1.719 -0.409) 1.774 6.290 ( 1.649 -3.441 -6.016) 7.124 6.853 ( -2.698 -13.916 2.727) 14.435 7.926 ( -4.456 -4.229 -3.391) 7.017======================= Grid point 48 (35/288) =======================q-point: ( 0.36 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.397 ( -0.302 6.714 3.275) 7.476 1.649 ( 0.495 9.585 -4.004) 10.399 1.867 ( 1.655 2.969 1.725) 3.812 2.250 ( 8.672 12.233 1.031) 15.031 2.673 ( 2.224 -3.148 -3.533) 5.228 3.484 ( 8.405 21.523 2.153) 23.206 5.263 ( 5.159 8.038 1.368) 9.649 5.627 ( -3.245 -2.324 -1.177) 4.161 5.842 ( 0.834 0.691 -0.900) 1.408 6.268 ( 2.315 -4.894 -4.095) 6.788 6.670 ( -4.609 -12.257 2.308) 13.297 7.771 ( -6.961 -4.618 -3.427) 9.029======================= Grid point 49 (36/288) =======================q-point: ( 0.43 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.483 ( 1.690 6.323 2.172) 6.896 1.723 ( 0.929 6.709 -4.831) 8.319 1.916 ( 1.540 0.822 1.129) 2.079 2.433 ( 2.009 1.717 2.437) 3.595 2.766 ( 7.107 9.779 -0.782) 12.114 3.792 ( 6.884 12.830 0.782) 14.581 5.425 ( 3.369 7.626 1.555) 8.481 5.565 ( -1.726 0.019 -1.114) 2.054 5.871 ( 1.239 2.251 -2.319) 3.461 6.252 ( 2.723 -4.654 -2.767) 6.060 6.475 ( -6.507 -9.328 2.077) 11.561 7.604 ( -5.547 -4.680 -2.829) 7.789======================= Grid point 50 (37/288) =======================q-point: ( 0.50 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.574 ( 0.780 6.065 1.255) 6.243 1.796 ( 3.177 4.150 -3.810) 6.468 1.945 ( 1.223 -0.244 0.522) 1.352 2.415 ( -2.025 -3.830 3.124) 5.341 3.020 ( 4.058 18.406 0.096) 18.848 3.964 ( 3.993 3.571 0.194) 5.360 5.512 ( 1.218 3.061 0.747) 3.378 5.577 ( -0.324 4.524 -0.120) 4.537 5.903 ( 1.483 1.019 -3.438) 3.880 6.237 ( -1.723 -4.114 -1.610) 4.742 6.311 ( -3.354 -2.347 2.073) 4.589 7.491 ( -1.331 -4.908 -1.615) 5.335======================= Grid point 51 (38/288) =======================q-point: ( 0.57 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.625 ( -1.700 5.355 0.569) 5.648 1.878 ( 4.174 0.418 -2.722) 5.001 1.957 ( 0.690 -0.643 -0.042) 0.944 2.342 ( -3.029 -2.659 2.515) 4.751 3.206 ( -5.363 19.740 -0.048) 20.455 4.019 ( 3.022 -3.267 0.443) 4.473 5.568 ( 2.605 -0.188 0.487) 2.656 5.594 ( -2.950 5.148 0.174) 5.935 5.927 ( 3.320 -1.426 -3.283) 4.882 6.126 ( -6.503 1.894 1.847) 7.020 6.311 ( 0.485 0.519 -0.455) 0.843 7.450 ( 2.359 -4.978 -0.355) 5.520======================= Grid point 52 (39/288) =======================q-point: (-0.36 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.624 ( -4.027 3.694 0.454) 5.483 1.908 ( 1.724 -3.009 -1.250) 3.686 1.952 ( -0.724 -0.921 -0.194) 1.187 2.305 ( 0.149 0.318 0.471) 0.587 3.201 ( -14.589 14.166 -0.331) 20.338 4.024 ( 1.446 -4.121 0.735) 4.429 5.547 ( -2.117 -0.863 -0.392) 2.319 5.616 ( -1.679 2.792 1.195) 3.470 5.977 ( 4.225 -1.975 -1.105) 4.793 6.099 ( -2.030 7.698 0.960) 8.019 6.305 ( -0.274 -1.362 -0.775) 1.591 7.466 ( 4.471 -3.891 0.598) 5.957======================= Grid point 53 (40/288) =======================q-point: (-0.29 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.561 ( -6.079 0.937 0.295) 6.158 1.890 ( -1.786 -1.135 2.392) 3.194 1.912 ( -1.600 -1.291 -2.056) 2.907 2.348 ( 3.645 0.590 -0.799) 3.777 3.015 ( -17.643 5.806 -0.251) 18.575 3.967 ( -5.591 -2.053 0.381) 5.969 5.501 ( -3.596 0.463 0.177) 3.630 5.588 ( -2.580 0.308 0.512) 2.648 5.974 ( -3.628 0.938 0.876) 3.849 6.217 ( 6.363 5.707 -2.896) 9.025 6.298 ( 3.664 -3.664 1.430) 5.375 7.531 ( 6.312 -1.716 0.900) 6.602======================= Grid point 54 (41/288) =======================q-point: (-0.21 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.450 ( -7.268 0.000 0.000) 7.268 1.813 ( -6.597 0.000 0.000) 6.597 1.888 ( -1.052 0.000 0.000) 1.052 2.391 ( -1.341 0.000 0.000) 1.341 2.778 ( -10.506 0.000 0.000) 10.506 3.779 ( -15.536 0.000 0.000) 15.536 5.400 ( -8.516 0.000 0.000) 8.516 5.583 ( 1.774 -0.000 -0.000) 1.774 5.906 ( -4.234 0.000 0.000) 4.234 6.309 ( 3.334 -0.000 -0.000) 3.334 6.431 ( 11.444 -0.000 -0.000) 11.444 7.649 ( 8.122 -0.000 -0.000) 8.122======================= Grid point 61 (42/288) =======================q-point: ( 0.29 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.423 ( -0.000 2.620 1.363) 2.954 1.634 ( 0.000 11.196 -0.825) 11.227 1.876 ( -0.000 5.254 3.172) 6.138 2.014 ( 0.000 13.513 -1.192) 13.566 2.632 ( 0.000 -5.882 -5.937) 8.357 3.337 ( -0.000 26.756 3.235) 26.951 5.143 ( 0.000 5.583 0.101) 5.584 5.694 ( -0.000 -2.586 -0.045) 2.586 5.827 ( 0.000 -0.074 -0.064) 0.098 6.222 ( 0.000 -4.259 -4.791) 6.410 6.745 ( -0.000 -13.474 1.214) 13.528 7.915 ( 0.000 -4.473 -2.339) 5.047======================= Grid point 62 (43/288) =======================q-point: ( 0.36 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.445 ( 0.522 2.066 0.176) 2.138 1.720 ( -0.177 7.661 -3.910) 8.603 1.906 ( -1.167 3.357 1.405) 3.821 2.223 ( 7.971 12.263 0.429) 14.632 2.576 ( 2.274 -5.772 -2.176) 6.575 3.617 ( 2.831 22.269 2.118) 22.548 5.236 ( 5.215 4.691 0.134) 7.016 5.655 ( -2.239 -1.300 -0.841) 2.722 5.841 ( 0.394 2.143 0.017) 2.179 6.177 ( 1.244 -4.805 -2.792) 5.695 6.606 ( -1.796 -11.839 0.226) 11.977 7.824 ( -4.735 -4.366 -2.030) 6.753======================= Grid point 63 (44/288) =======================q-point: ( 0.43 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.498 ( 2.778 3.064 0.697) 4.194 1.760 ( -0.131 4.556 -5.264) 6.963 1.923 ( -0.151 1.700 0.964) 1.960 2.417 ( 2.331 1.694 2.688) 3.941 2.667 ( 12.339 5.742 -0.714) 13.628 3.854 ( 2.554 14.870 0.988) 15.120 5.400 ( 7.596 4.916 0.822) 9.085 5.599 ( -2.633 -0.097 -1.148) 2.874 5.874 ( 0.349 3.014 -1.509) 3.389 6.154 ( 2.279 -4.592 -1.048) 5.232 6.462 ( -2.921 -9.313 -0.068) 9.760 7.672 ( -7.277 -3.700 -1.914) 8.385======================= Grid point 64 (45/288) =======================q-point: ( 0.50 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.595 ( 3.645 4.113 1.218) 5.629 1.787 ( 0.910 2.620 -3.662) 4.594 1.937 ( 0.208 0.668 0.527) 0.876 2.414 ( -0.987 -2.925 3.020) 4.319 3.011 ( 14.983 12.543 0.097) 19.540 3.982 ( -0.352 6.330 0.197) 6.342 5.527 ( 0.452 2.415 0.691) 2.552 5.601 ( 2.982 3.223 0.134) 4.393 5.884 ( -0.575 0.345 -3.882) 3.939 6.175 ( 4.292 -1.709 0.147) 4.622 6.336 ( -2.974 -5.539 0.545) 6.311 7.513 ( -6.328 -3.098 -1.601) 7.225======================= Grid point 65 (46/288) =======================q-point: ( 0.57 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.689 ( 1.415 4.803 0.729) 5.060 1.819 ( 2.009 0.004 -1.610) 2.575 1.946 ( 0.294 0.020 0.118) 0.317 2.367 ( -2.132 -2.284 2.051) 3.737 3.371 ( 9.644 15.944 0.425) 18.638 3.966 ( -2.918 -3.113 -0.124) 4.269 5.547 ( 0.579 1.162 0.676) 1.464 5.669 ( -0.263 3.663 0.746) 3.747 5.847 ( 0.614 -3.869 -3.830) 5.479 6.224 ( -1.266 2.171 0.211) 2.521 6.291 ( 2.311 -0.799 0.903) 2.606 7.402 ( -2.425 -3.142 -0.932) 4.077======================= Grid point 66 (47/288) =======================q-point: (-0.36 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.727 ( -2.878 4.214 0.581) 5.136 1.839 ( 2.613 -2.590 -0.999) 3.813 1.949 ( 0.162 -0.234 -0.064) 0.291 2.322 ( -1.678 -0.587 0.780) 1.942 3.564 ( -9.689 15.286 -0.017) 18.098 3.893 ( 5.795 -9.019 0.227) 10.722 5.553 ( -0.774 -0.603 0.019) 0.981 5.683 ( -1.962 2.960 0.955) 3.677 5.849 ( 5.594 -3.109 -1.865) 6.666 6.219 ( -2.233 4.060 1.438) 4.851 6.311 ( -1.241 -0.436 -0.914) 1.602 7.372 ( 2.270 -2.340 -0.123) 3.262======================= Grid point 67 (48/288) =======================q-point: (-0.29 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.670 ( -5.714 0.000 0.000) 5.714 1.865 ( 2.082 -0.000 -0.000) 2.082 1.942 ( -1.107 0.000 0.000) 1.107 2.311 ( 0.744 -0.000 -0.000) 0.744 3.360 ( -18.542 0.000 0.000) 18.542 3.969 ( 3.957 -0.000 -0.000) 3.957 5.528 ( -1.233 0.000 0.000) 1.233 5.655 ( -3.246 0.000 0.000) 3.246 5.949 ( 6.508 -0.000 -0.000) 6.508 6.237 ( -3.764 0.000 0.000) 3.764 6.240 ( 0.408 -0.000 -0.000) 0.408 7.425 ( 5.032 -0.000 -0.000) 5.032======================= Grid point 76 (49/288) =======================q-point: ( 0.36 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.442 ( 0.000 0.234 -1.547) 1.565 1.769 ( 0.000 4.371 -6.181) 7.570 1.942 ( 0.000 1.062 -0.674) 1.258 2.264 ( 0.000 11.432 0.222) 11.434 2.496 ( -0.000 -5.610 1.819) 5.898 3.806 ( -0.000 18.884 1.664) 18.958 5.213 ( 0.000 1.895 -0.764) 2.043 5.663 ( 0.000 -0.449 -1.607) 1.669 5.870 ( -0.000 3.875 0.752) 3.948 6.120 ( -0.000 -4.040 -0.135) 4.042 6.511 ( 0.000 -10.034 -1.415) 10.133 7.819 ( 0.000 -4.055 -1.265) 4.248======================= Grid point 77 (50/288) =======================q-point: ( 0.43 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.463 ( 2.804 0.591 -1.065) 3.057 1.771 ( 0.204 1.041 -7.564) 7.638 1.942 ( -0.328 0.730 -0.138) 0.812 2.412 ( 2.310 3.816 2.524) 5.126 2.511 ( 8.524 1.431 1.389) 8.754 3.975 ( 0.484 13.143 0.923) 13.184 5.291 ( 7.472 1.368 -0.555) 7.617 5.636 ( -2.018 -0.018 -1.984) 2.830 5.910 ( -0.456 4.072 0.197) 4.102 6.092 ( 0.549 -3.175 1.697) 3.642 6.408 ( -1.199 -7.478 -2.061) 7.849 7.739 ( -4.584 -3.174 -0.986) 5.662======================= Grid point 78 (51/288) =======================q-point: ( 0.50 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.544 ( 5.330 1.560 0.278) 5.560 1.773 ( 1.606 0.498 -4.717) 5.007 1.945 ( -0.167 0.397 0.097) 0.442 2.418 ( -0.976 -1.476 3.181) 3.640 2.806 ( 17.925 6.172 -0.058) 18.958 4.071 ( -1.353 6.988 0.372) 7.128 5.467 ( 10.192 1.880 0.229) 10.366 5.596 ( -1.818 0.355 -1.429) 2.339 5.917 ( -2.498 1.795 -1.432) 3.393 6.094 ( 2.535 -1.895 2.083) 3.789 6.320 ( -1.474 -4.362 -1.454) 4.828 7.608 ( -7.226 -1.906 -0.852) 7.521======================= Grid point 79 (52/288) =======================q-point: ( 0.57 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.656 ( 5.484 1.542 0.380) 5.709 1.798 ( 1.279 0.508 -1.355) 1.931 1.945 ( -0.031 0.025 0.010) 0.042 2.388 ( -1.766 -1.047 1.467) 2.523 3.194 ( 20.442 5.146 0.112) 21.080 4.055 ( -5.935 1.536 0.035) 6.130 5.565 ( -0.760 1.124 0.443) 1.427 5.643 ( 6.299 0.876 -0.338) 6.369 5.851 ( -4.604 -0.953 -1.579) 4.959 6.170 ( 6.885 -0.094 0.695) 6.920 6.272 ( -0.798 -1.138 -0.160) 1.399 7.467 ( -7.073 -1.026 -0.554) 7.169======================= Grid point 80 (53/288) =======================q-point: (-0.36 -0.64 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.752 ( 4.596 -0.000 -0.000) 4.596 1.799 ( -1.358 0.000 0.000) 1.358 1.945 ( 0.108 -0.000 -0.000) 0.108 2.351 ( -2.024 0.000 0.000) 2.024 3.564 ( 18.600 -0.000 -0.000) 18.600 3.902 ( -12.098 0.000 0.000) 12.098 5.563 ( -0.376 0.000 0.000) 0.376 5.735 ( 4.705 -0.000 -0.000) 4.705 5.758 ( -4.401 0.000 0.000) 4.401 6.257 ( -0.723 0.000 0.000) 0.723 6.287 ( 4.811 -0.000 -0.000) 4.811 7.367 ( -3.244 0.000 0.000) 3.244======================= Grid point 92 (54/288) =======================q-point: ( 0.43 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.432 ( 0.000 -0.152 -1.439) 1.447 1.733 ( 0.000 -1.985 -8.268) 8.503 1.950 ( -0.000 0.432 0.034) 0.433 2.442 ( 0.000 6.278 0.253) 6.283 2.445 ( -0.000 -2.081 4.199) 4.686 4.083 ( 0.000 8.794 0.489) 8.807 5.223 ( 0.000 0.052 -0.780) 0.782 5.647 ( 0.000 -0.133 -2.239) 2.243 5.956 ( -0.000 3.633 0.738) 3.707 6.074 ( -0.000 -1.669 3.064) 3.489 6.350 ( 0.000 -4.897 -2.721) 5.603 7.749 ( 0.000 -2.414 -0.495) 2.464======================= Grid point 93 (55/288) =======================q-point: ( 0.50 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.466 ( 4.301 0.258 -0.360) 4.324 1.715 ( 2.415 -1.283 -4.276) 5.076 1.951 ( -0.225 0.216 0.094) 0.326 2.433 ( -0.812 -0.571 2.201) 2.414 2.590 ( 11.400 2.832 0.121) 11.747 4.144 ( -0.490 4.047 0.179) 4.080 5.299 ( 8.741 0.160 -0.332) 8.749 5.626 ( -1.541 -0.019 -1.204) 1.955 5.973 ( -1.716 1.759 0.075) 2.459 6.070 ( 0.017 -0.798 2.079) 2.227 6.300 ( -0.759 -2.296 -1.662) 2.934 7.692 ( -4.295 -1.151 -0.278) 4.456======================= Grid point 94 (56/288) =======================q-point: (-0.43 -0.57 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.562 ( 6.160 -0.000 -0.000) 6.160 1.757 ( 3.279 -0.000 -0.000) 3.279 1.948 ( -0.275 0.000 0.000) 0.275 2.414 ( -1.470 0.000 0.000) 1.470 2.869 ( 19.112 -0.000 -0.000) 19.112 4.139 ( -2.628 0.000 0.000) 2.628 5.485 ( 11.558 -0.000 -0.000) 11.558 5.594 ( -1.739 0.000 0.000) 1.739 5.929 ( -4.261 0.000 0.000) 4.261 6.084 ( 2.505 -0.000 -0.000) 2.505 6.275 ( -0.579 0.000 0.000) 0.579 7.587 ( -7.131 0.000 0.000) 7.131======================= Grid point 109 (57/288) =======================q-point: (-0.50 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 400Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.425 ( -0.000 0.000 0.000) 0.000 1.676 ( -0.000 0.000 0.000) 0.000 1.955 ( -0.000 0.000 0.000) 0.000 2.440 ( -0.000 0.000 0.000) 0.000 2.505 ( -0.000 0.000 0.000) 0.000 4.168 ( -0.000 0.000 0.000) 0.000 5.220 ( -0.000 0.000 0.000) 0.000 5.637 ( -0.000 0.000 0.000) 0.000 5.997 ( -0.000 0.000 0.000) 0.000 6.072 ( -0.000 0.000 0.000) 0.000 6.293 ( -0.000 0.000 0.000) 0.000 7.723 ( -0.000 0.000 0.000) 0.000======================= Grid point 218 (58/288) =======================q-point: ( 0.07 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.203 ( -0.000 0.000 22.497) 22.497 0.203 ( -0.000 0.000 22.497) 22.497 0.364 ( -0.000 0.000 40.478) 40.478 1.703 ( 0.000 -0.000 -2.015) 2.015 1.703 ( 0.000 -0.000 -2.015) 2.015 3.482 ( 0.000 -0.000 -5.661) 5.661 4.777 ( -0.000 0.000 0.518) 0.518 4.777 ( -0.000 0.000 0.518) 0.518 6.047 ( 0.000 -0.000 -0.308) 0.308 6.047 ( 0.000 -0.000 -0.308) 0.308 7.540 ( -0.000 0.000 1.018) 1.018 8.060 ( 0.000 -0.000 -0.307) 0.307======================= Grid point 219 (59/288) =======================q-point: ( 0.14 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.392 ( 13.934 8.045 6.230) 17.253 0.458 ( 12.097 6.984 13.664) 19.540 0.969 ( 28.763 16.606 21.331) 39.473 1.725 ( 1.908 1.102 -1.403) 2.612 1.774 ( 7.551 4.360 -3.982) 9.585 2.996 ( -5.398 -3.116 2.694) 6.790 4.806 ( 2.360 1.363 0.707) 2.816 6.001 ( -3.514 -2.029 -1.040) 4.189 6.021 ( -2.167 -1.251 -0.309) 2.522 6.154 ( 23.034 13.299 -38.553) 46.837 7.482 ( -6.637 -3.832 4.400) 8.837 8.062 ( -0.118 -0.068 -6.700) 6.701======================= Grid point 220 (60/288) =======================q-point: ( 0.21 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.740 ( 15.176 8.762 0.361) 17.527 0.783 ( 13.723 7.923 3.057) 16.138 1.547 ( 15.297 8.832 11.973) 21.339 1.785 ( 3.835 2.214 -0.670) 4.479 2.087 ( 22.479 12.978 -2.597) 26.086 2.926 ( -1.588 -0.917 -2.692) 3.257 4.885 ( 4.412 2.548 0.632) 5.134 5.884 ( -6.091 -3.517 -1.123) 7.123 5.955 ( -3.337 -1.927 -0.241) 3.861 6.369 ( 6.814 3.934 -12.443) 14.723 7.295 ( -10.816 -6.245 6.507) 14.083 8.004 ( -2.996 -1.730 -8.783) 9.439======================= Grid point 221 (61/288) =======================q-point: ( 0.29 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.053 ( 12.259 7.078 -1.711) 14.259 1.083 ( 12.792 7.386 -3.322) 15.140 1.790 ( 6.430 3.712 4.089) 8.476 1.901 ( 6.671 3.852 0.107) 7.704 2.633 ( 19.689 11.368 -3.881) 23.064 2.936 ( 6.272 3.621 2.460) 7.649 5.002 ( 5.587 3.226 0.261) 6.457 5.736 ( -6.253 -3.610 -1.807) 7.443 5.882 ( -2.767 -1.597 -0.038) 3.195 6.438 ( 1.650 0.953 -4.057) 4.482 7.048 ( -12.629 -7.292 6.135) 15.821 7.884 ( -4.841 -2.795 -8.999) 10.594======================= Grid point 222 (62/288) =======================q-point: ( 0.36 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.271 ( 7.586 4.380 -2.383) 9.078 1.344 ( 11.795 6.810 -6.964) 15.297 1.908 ( 3.645 2.105 1.547) 4.485 2.084 ( 9.057 5.229 0.517) 10.471 2.748 ( -1.795 -1.036 -2.209) 3.029 3.346 ( 21.173 12.224 3.358) 24.678 5.125 ( 4.915 2.838 -0.311) 5.684 5.612 ( -3.713 -2.144 -2.304) 4.867 5.844 ( -0.398 -0.230 0.343) 0.574 6.423 ( -2.192 -1.265 -0.454) 2.571 6.762 ( -13.663 -7.888 2.624) 15.993 7.758 ( -3.770 -2.177 -6.403) 7.743======================= Grid point 223 (63/288) =======================q-point: ( 0.43 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.392 ( 4.042 2.334 -2.119) 5.126 1.582 ( 11.446 6.609 -8.143) 15.524 1.974 ( 2.076 1.198 0.486) 2.445 2.289 ( 8.385 4.841 0.454) 9.693 2.653 ( -6.353 -3.668 2.146) 7.643 3.762 ( 14.523 8.385 1.214) 16.814 5.211 ( 2.747 1.586 -0.791) 3.270 5.570 ( 0.779 0.450 -2.208) 2.384 5.868 ( 2.115 1.221 0.723) 2.547 6.328 ( -8.123 -4.690 3.752) 10.102 6.483 ( -8.605 -4.968 -3.882) 10.668 7.683 ( -1.737 -1.003 -2.666) 3.336======================= Grid point 224 (64/288) =======================q-point: ( 0.50 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.452 ( 1.948 1.125 -1.447) 2.675 1.815 ( 11.181 6.455 -7.783) 15.075 2.008 ( 1.004 0.579 -0.648) 1.328 2.443 ( 4.839 2.794 0.269) 5.593 2.483 ( -9.204 -5.314 4.587) 11.576 4.005 ( 6.872 3.968 0.574) 7.956 5.249 ( 1.091 0.630 -0.840) 1.514 5.632 ( 4.966 2.867 -1.689) 5.978 5.924 ( 2.100 1.213 0.799) 2.553 6.081 ( -11.805 -6.815 1.992) 13.775 6.387 ( -1.068 -0.617 -2.481) 2.771 7.655 ( -0.533 -0.308 -0.283) 0.678======================= Grid point 225 (65/288) =======================q-point: (-0.43 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.476 ( 0.482 0.278 -0.587) 0.809 1.987 ( 1.391 0.803 -1.020) 1.903 2.041 ( 4.617 2.665 -5.737) 7.831 2.307 ( -5.169 -2.984 3.851) 7.103 2.498 ( -0.100 -0.058 0.081) 0.141 4.085 ( 0.100 0.058 0.992) 0.998 5.262 ( 0.261 0.151 -0.511) 0.593 5.742 ( 1.639 0.946 -1.401) 2.355 5.895 ( -1.536 -0.887 1.758) 2.497 5.950 ( -0.220 -0.127 0.577) 0.630 6.380 ( 0.694 0.401 -0.692) 1.059 7.654 ( 0.332 0.192 0.916) 0.993======================= Grid point 226 (66/288) =======================q-point: (-0.36 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.471 ( -0.966 -0.558 0.487) 1.217 1.923 ( -7.008 -4.046 3.289) 8.735 2.019 ( -3.183 -1.838 0.629) 3.729 2.389 ( 9.462 5.463 -5.008) 12.019 2.439 ( -5.084 -2.935 -0.191) 5.874 4.011 ( -7.222 -4.170 1.199) 8.425 5.257 ( -0.683 -0.394 -0.012) 0.788 5.667 ( -4.119 -2.378 1.925) 5.131 5.918 ( -2.470 -1.426 0.166) 2.857 6.042 ( 9.869 5.698 -2.095) 11.586 6.417 ( 2.819 1.628 0.676) 3.325 7.680 ( 1.698 0.980 2.248) 2.983======================= Grid point 227 (67/288) =======================q-point: (-0.29 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.431 ( -3.034 -1.752 1.971) 4.020 1.733 ( -10.520 -6.074 7.746) 14.407 1.957 ( -2.817 -1.626 -1.147) 3.449 2.277 ( -8.735 -5.043 -0.730) 10.112 2.592 ( 9.069 5.236 -4.447) 11.377 3.754 ( -15.903 -9.181 0.336) 18.366 5.222 ( -2.699 -1.558 0.426) 3.145 5.618 ( -0.630 -0.364 2.891) 2.981 5.858 ( -2.223 -1.284 -0.290) 2.584 6.246 ( 8.334 4.812 -5.051) 10.868 6.529 ( 7.107 4.103 1.183) 8.292 7.750 ( 3.758 2.170 4.181) 6.026======================= Grid point 228 (68/288) =======================q-point: (-0.21 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.334 ( -6.801 -3.927 4.171) 8.892 1.499 ( -12.612 -7.282 9.204) 17.228 1.868 ( -4.873 -2.813 -2.351) 6.098 2.062 ( -9.314 -5.377 -1.744) 10.895 2.759 ( 6.349 3.666 -1.550) 7.493 3.299 ( -23.789 -13.735 -1.232) 27.497 5.133 ( -5.254 -3.033 0.505) 6.087 5.656 ( 3.159 1.824 2.377) 4.354 5.836 ( 0.591 0.341 -0.505) 0.849 6.378 ( 4.786 2.763 -5.058) 7.492 6.734 ( 10.449 6.032 -0.527) 12.076 7.871 ( 5.454 3.149 5.303) 8.233======================= Grid point 229 (69/288) =======================q-point: (-0.14 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.135 ( -12.366 -7.139 6.840) 15.833 1.213 ( -15.225 -8.790 9.568) 20.015 1.704 ( -9.416 -5.437 -4.175) 11.647 1.875 ( -6.267 -3.618 -2.787) 7.755 2.693 ( -27.028 -15.605 1.744) 31.258 2.881 ( 3.327 1.921 -2.958) 4.849 5.003 ( -5.972 -3.448 0.282) 6.902 5.763 ( 5.514 3.184 1.087) 6.459 5.878 ( 3.003 1.734 -0.445) 3.496 6.439 ( 1.981 1.143 -4.079) 4.677 6.981 ( 11.433 6.601 -0.839) 13.228 8.009 ( 4.973 2.871 4.034) 7.018======================= Grid point 230 (70/288) =======================q-point: (-0.07 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.829 ( -16.327 -9.426 9.424) 21.077 0.871 ( -17.517 -10.114 9.882) 22.512 1.368 ( -20.569 -11.876 -5.168) 24.307 1.765 ( -2.947 -1.702 -2.935) 4.494 2.125 ( -20.708 -11.956 1.041) 23.934 2.941 ( 2.038 1.177 -0.883) 2.514 4.881 ( -4.620 -2.667 0.137) 5.337 5.895 ( 5.613 3.241 -0.109) 6.483 5.954 ( 3.499 2.020 -0.344) 4.055 6.446 ( -0.208 -0.120 -5.335) 5.340 7.236 ( 10.837 6.256 0.860) 12.542 8.101 ( 2.253 1.301 0.597) 2.670======================= Grid point 233 (71/288) =======================q-point: ( 0.14 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.553 ( -0.000 22.214 6.707) 23.204 0.617 ( -0.000 17.463 16.754) 24.200 0.909 ( -0.000 24.491 24.957) 34.967 1.683 ( 0.000 0.560 -4.564) 4.598 1.797 ( 0.000 10.364 -2.170) 10.589 3.004 ( -0.000 -8.182 1.995) 8.422 4.806 ( -0.000 2.684 0.702) 2.774 5.953 ( 0.000 10.124 -18.334) 20.943 6.017 ( 0.000 -2.653 -0.548) 2.709 6.071 ( 0.000 18.156 -21.844) 28.405 7.492 ( -0.000 -7.651 4.185) 8.720 8.058 ( 0.000 0.983 -6.059) 6.138======================= Grid point 234 (72/288) =======================q-point: ( 0.21 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.754 ( -2.358 16.362 15.583) 22.717 0.824 ( 3.853 21.774 1.322) 22.152 1.415 ( 16.957 14.732 15.776) 27.449 1.722 ( 4.813 1.701 -4.137) 6.571 1.979 ( 7.969 18.663 -2.492) 20.446 2.927 ( -1.441 -2.900 -3.395) 4.691 4.862 ( 2.384 4.001 0.846) 4.733 5.919 ( -2.708 -5.077 -1.456) 5.936 5.967 ( -1.540 -3.310 -0.652) 3.709 6.249 ( 7.346 9.916 -18.528) 22.261 7.368 ( -5.240 -10.819 6.140) 13.498 8.022 ( -2.721 0.114 -7.950) 8.403======================= Grid point 235 (73/288) =======================q-point: ( 0.29 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.959 ( 4.623 12.124 8.402) 15.459 1.094 ( 4.722 18.267 -2.561) 19.040 1.721 ( 7.426 4.202 4.618) 9.702 1.849 ( 6.051 5.830 -0.476) 8.416 2.436 ( 18.810 20.952 -1.839) 28.217 2.897 ( 1.804 0.449 -1.700) 2.519 4.966 ( 3.998 5.377 0.821) 6.751 5.792 ( -5.395 -4.857 -1.602) 7.433 5.903 ( -2.048 -2.822 -0.326) 3.502 6.370 ( 5.039 1.787 -8.234) 9.818 7.158 ( -8.533 -11.498 6.760) 15.834 7.919 ( -5.239 -1.710 -8.830) 10.408======================= Grid point 236 (74/288) =======================q-point: ( 0.36 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.171 ( 6.614 7.823 2.248) 10.488 1.318 ( 4.311 14.013 -4.886) 15.454 1.861 ( 4.814 2.100 1.590) 5.487 2.030 ( 6.636 9.451 0.193) 11.550 2.727 ( 2.732 1.465 -5.179) 6.036 3.155 ( 18.123 15.384 4.287) 24.156 5.098 ( 4.039 6.454 0.509) 7.631 5.653 ( -4.896 -3.481 -2.042) 6.345 5.853 ( -1.151 -1.138 -0.145) 1.625 6.408 ( 1.598 -1.785 -3.712) 4.418 6.898 ( -11.263 -11.082 5.038) 16.584 7.780 ( -4.767 -2.859 -7.328) 9.198======================= Grid point 237 (75/288) =======================q-point: ( 0.43 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.338 ( 5.148 4.970 -0.436) 7.168 1.499 ( 5.521 10.675 -6.340) 13.588 1.942 ( 2.942 0.819 0.628) 3.118 2.247 ( 6.321 10.960 0.555) 12.664 2.704 ( -2.587 -2.181 -0.526) 3.424 3.608 ( 15.821 12.433 2.002) 20.222 5.216 ( 1.839 6.756 -0.069) 7.002 5.565 ( -1.516 -1.277 -2.054) 2.854 5.850 ( 1.151 0.632 0.218) 1.331 6.379 ( -1.204 -2.610 -1.089) 3.074 6.594 ( -13.044 -9.775 0.733) 16.316 7.678 ( -1.686 -3.216 -3.705) 5.187======================= Grid point 238 (76/288) =======================q-point: ( 0.50 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.437 ( 2.052 3.654 -1.038) 4.317 1.690 ( 8.446 8.258 -6.893) 13.676 1.985 ( 1.738 -0.055 -0.134) 1.744 2.424 ( 2.601 5.942 1.441) 6.644 2.614 ( -6.299 1.259 1.602) 6.620 3.920 ( 9.354 6.729 0.958) 11.563 5.287 ( -0.979 6.634 -0.557) 6.729 5.572 ( 3.197 0.733 -1.576) 3.639 5.895 ( 2.408 0.936 0.592) 2.651 6.249 ( -12.983 -5.074 2.585) 14.177 6.371 ( -0.742 -3.604 -4.013) 5.445 7.634 ( 0.681 -3.189 -0.762) 3.349======================= Grid point 239 (77/288) =======================q-point: ( 0.57 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.483 ( 0.139 2.735 -0.836) 2.864 1.893 ( 9.194 5.399 -6.671) 12.577 2.000 ( 0.656 -0.743 -1.257) 1.600 2.384 ( -5.821 -5.182 4.284) 8.893 2.604 ( -4.772 11.488 0.018) 12.440 4.070 ( 3.205 1.953 1.094) 3.909 5.317 ( -2.665 6.459 -0.592) 7.012 5.661 ( 5.854 0.396 -1.333) 6.017 5.924 ( -0.340 -0.847 1.095) 1.426 6.023 ( -8.092 -0.462 0.964) 8.162 6.352 ( 1.363 -1.485 -1.517) 2.523 7.625 ( 1.729 -2.863 0.660) 3.409======================= Grid point 240 (78/288) =======================q-point: (-0.36 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.493 ( -1.207 1.644 -0.187) 2.048 1.971 ( -1.808 -1.622 -0.190) 2.436 2.018 ( 1.846 -2.096 -3.248) 4.284 2.301 ( 1.317 0.709 0.716) 1.658 2.598 ( -8.443 9.591 -0.376) 12.783 4.076 ( -3.202 -1.830 1.477) 3.973 5.322 ( -3.650 5.773 -0.248) 6.835 5.686 ( -0.911 -4.300 0.153) 4.398 5.930 ( 0.028 1.079 1.767) 2.070 5.991 ( 2.260 4.778 -1.292) 5.441 6.372 ( 2.743 -0.837 -0.256) 2.879 7.641 ( 2.802 -2.217 1.631) 3.927======================= Grid point 241 (79/288) =======================q-point: (-0.29 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.470 ( -2.650 -0.188 0.907) 2.807 1.864 ( -7.727 -3.883 4.164) 9.598 1.971 ( -1.606 -2.762 -1.009) 3.351 2.373 ( -0.375 -0.086 -1.719) 1.762 2.548 ( -3.164 9.009 -2.649) 9.910 3.922 ( -11.603 -5.380 1.136) 12.840 5.299 ( -4.906 3.898 0.215) 6.270 5.629 ( -0.977 -2.455 2.083) 3.365 5.891 ( -3.070 -0.996 0.433) 3.257 6.153 ( 7.495 6.659 -3.992) 10.791 6.441 ( 6.065 0.448 0.854) 6.141 7.694 ( 4.729 -1.098 2.923) 5.667======================= Grid point 242 (80/288) =======================q-point: (-0.21 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.396 ( -5.027 -3.566 2.880) 6.803 1.690 ( -10.739 -2.482 6.123) 12.608 1.903 ( -3.102 -2.740 -1.728) 4.485 2.225 ( -12.640 -0.163 -0.740) 12.662 2.670 ( 6.927 4.695 -3.177) 8.951 3.578 ( -21.218 -8.388 0.217) 22.817 5.225 ( -6.815 0.913 0.518) 6.895 5.631 ( 1.925 -0.004 2.206) 2.928 5.842 ( -1.495 0.002 -0.217) 1.511 6.305 ( 5.577 4.082 -5.293) 8.705 6.599 ( 10.260 2.544 0.498) 10.583 7.799 ( 6.766 0.242 3.733) 7.731======================= Grid point 243 (81/288) =======================q-point: (-0.14 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.231 ( -9.572 -8.154 5.681) 13.798 1.487 ( -13.978 -0.286 5.537) 15.038 1.790 ( -6.557 -3.125 -2.131) 7.570 2.002 ( -11.903 -0.227 -1.536) 12.004 2.809 ( 5.938 2.328 -2.113) 6.719 3.060 ( -28.770 -9.303 -0.025) 30.237 5.097 ( -7.810 -1.179 0.499) 7.914 5.703 ( 4.783 1.504 1.140) 5.142 5.848 ( 1.583 0.950 -0.428) 1.895 6.394 ( 3.351 2.012 -4.689) 6.105 6.824 ( 12.432 3.353 0.213) 12.878 7.935 ( 7.098 0.686 2.512) 7.561======================= Grid point 244 (82/288) =======================q-point: (-0.07 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.954 ( -14.158 -10.118 7.816) 19.076 1.222 ( -18.590 -1.385 2.912) 18.868 1.596 ( -13.526 -1.868 0.472) 13.663 1.834 ( -7.251 0.610 -2.297) 7.630 2.468 ( -29.721 -6.644 -0.443) 30.457 2.901 ( 3.496 1.033 -1.270) 3.860 4.959 ( -6.800 -1.203 0.394) 6.917 5.816 ( 6.292 1.442 -0.086) 6.456 5.902 ( 3.621 0.805 -0.361) 3.727 6.431 ( 0.770 1.131 -5.115) 5.295 7.076 ( 13.160 2.751 1.799) 13.564 8.046 ( 4.973 -0.290 -0.898) 5.062======================= Grid point 248 (83/288) =======================q-point: ( 0.21 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.003 ( -0.000 19.919 4.377) 20.394 1.039 ( -0.000 15.847 13.001) 20.498 1.457 ( -0.000 17.198 14.371) 22.412 1.679 ( 0.000 2.950 -6.649) 7.274 2.118 ( 0.000 24.069 -1.676) 24.127 2.894 ( 0.000 -3.179 -4.531) 5.535 4.890 ( -0.000 5.348 0.801) 5.408 5.880 ( 0.000 -5.296 -1.494) 5.503 5.945 ( 0.000 -4.114 -0.670) 4.168 6.234 ( 0.000 8.367 -15.134) 17.293 7.306 ( -0.000 -13.736 5.787) 14.905 8.028 ( 0.000 -0.006 -7.466) 7.466======================= Grid point 249 (84/288) =======================q-point: ( 0.29 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.143 ( -4.244 13.896 11.710) 18.661 1.229 ( 1.055 18.061 -0.077) 18.092 1.674 ( 4.432 6.245 3.911) 8.599 1.789 ( 8.167 7.854 -0.530) 11.343 2.433 ( 7.811 25.356 -3.162) 26.720 2.867 ( 1.299 0.595 -2.294) 2.702 4.972 ( 2.544 6.561 0.974) 7.104 5.803 ( -2.496 -5.560 -1.155) 6.203 5.894 ( -0.826 -3.555 -0.531) 3.688 6.286 ( 3.500 2.457 -9.531) 10.447 7.150 ( -3.648 -14.598 5.712) 16.095 7.965 ( -4.125 -1.263 -7.461) 8.618======================= Grid point 250 (85/288) =======================q-point: ( 0.36 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.243 ( -1.264 10.486 7.212) 12.790 1.403 ( 1.217 14.441 -3.537) 14.917 1.807 ( 4.696 3.632 1.515) 6.127 2.014 ( 7.682 10.759 0.365) 13.225 2.677 ( 3.445 3.569 -7.199) 8.742 3.073 ( 12.246 18.746 4.205) 22.783 5.105 ( 4.058 7.998 1.274) 9.059 5.689 ( -4.290 -4.291 -1.683) 6.297 5.853 ( -0.562 -1.839 -0.587) 2.010 6.326 ( 3.412 -2.062 -5.546) 6.830 6.941 ( -6.359 -13.924 5.081) 16.129 7.829 ( -6.460 -2.658 -6.850) 9.783======================= Grid point 251 (86/288) =======================q-point: ( 0.43 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.351 ( 1.448 7.920 3.495) 8.777 1.535 ( 1.565 10.901 -5.059) 12.120 1.900 ( 3.130 1.281 0.992) 3.524 2.264 ( 6.849 13.199 0.857) 14.895 2.697 ( 1.013 -0.709 -2.727) 2.995 3.501 ( 13.724 16.654 2.211) 21.693 5.258 ( 3.134 9.053 1.277) 9.665 5.584 ( -3.218 -2.217 -1.816) 4.309 5.841 ( 0.485 0.258 -0.910) 1.063 6.328 ( 2.033 -3.838 -3.737) 5.729 6.693 ( -9.420 -11.844 3.277) 15.484 7.679 ( -4.681 -3.834 -4.689) 7.655======================= Grid point 252 (87/288) =======================q-point: ( 0.50 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.456 ( 1.415 6.306 1.506) 6.636 1.655 ( 3.740 8.562 -5.159) 10.673 1.951 ( 2.086 -0.069 0.300) 2.108 2.450 ( 1.883 4.664 2.138) 5.466 2.722 ( -0.348 8.275 -0.498) 8.297 3.835 ( 9.812 9.343 0.990) 13.585 5.379 ( 0.115 9.055 0.809) 9.092 5.540 ( 0.181 -0.057 -1.416) 1.429 5.868 ( 1.935 1.252 -0.911) 2.478 6.310 ( 1.512 -3.394 -3.127) 4.857 6.418 ( -11.863 -7.910 1.650) 14.354 7.583 ( -0.557 -4.721 -1.888) 5.115======================= Grid point 253 (88/288) =======================q-point: ( 0.57 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.523 ( -0.431 5.131 0.300) 5.157 1.800 ( 6.183 6.077 -4.947) 9.982 1.974 ( 1.150 -0.856 -0.348) 1.476 2.427 ( -3.535 -4.341 3.300) 6.499 2.831 ( -3.831 17.450 -0.343) 17.869 4.023 ( 5.289 2.783 0.943) 6.051 5.446 ( -2.681 8.830 0.315) 9.233 5.575 ( 3.736 0.243 -0.858) 3.841 5.911 ( 1.908 0.828 -0.725) 2.202 6.164 ( -9.914 -4.025 0.131) 10.700 6.310 ( 1.039 -0.935 -1.137) 1.802 7.550 ( 2.298 -4.968 -0.083) 5.475======================= Grid point 254 (89/288) =======================q-point: (-0.36 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.547 ( -1.970 3.971 0.105) 4.434 1.927 ( 5.216 1.210 -4.696) 7.122 1.971 ( -0.065 -1.189 -0.748) 1.406 2.328 ( -3.468 -2.625 3.098) 5.340 2.885 ( -9.669 16.493 -0.447) 19.124 4.085 ( 0.949 -1.369 1.344) 2.140 5.466 ( -4.477 7.791 0.161) 8.987 5.629 ( 2.639 -2.407 -0.292) 3.584 5.958 ( 2.547 3.617 -0.641) 4.470 6.021 ( -4.940 -0.254 0.816) 5.014 6.321 ( 1.540 -0.896 -0.788) 1.948 7.555 ( 3.636 -4.556 0.850) 5.890======================= Grid point 255 (90/288) =======================q-point: (-0.29 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.532 ( -3.505 2.015 0.452) 4.068 1.934 ( -3.148 -1.939 0.218) 3.704 1.947 ( 0.436 -3.081 -1.814) 3.602 2.325 ( 2.963 1.312 -0.003) 3.241 2.822 ( -13.753 12.251 -0.632) 18.429 4.031 ( -5.410 -3.473 1.260) 6.551 5.447 ( -5.787 5.605 0.471) 8.070 5.613 ( -0.261 -2.909 0.711) 3.006 5.955 ( -4.243 0.875 1.116) 4.474 6.088 ( 6.658 6.070 -3.014) 9.500 6.349 ( 3.853 -1.508 0.317) 4.150 7.592 ( 5.143 -3.521 1.559) 6.425======================= Grid point 256 (91/288) =======================q-point: (-0.21 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.467 ( -5.292 -0.950 1.395) 5.555 1.830 ( -6.806 -1.692 2.246) 7.364 1.910 ( -1.143 -2.280 -1.457) 2.937 2.379 ( -1.320 0.975 -0.460) 1.704 2.701 ( -8.435 7.112 -1.410) 11.122 3.827 ( -14.670 -4.410 0.705) 15.334 5.376 ( -7.875 2.809 0.705) 8.390 5.599 ( 1.290 -1.516 1.044) 2.248 5.892 ( -3.959 0.808 0.194) 4.046 6.241 ( 5.477 4.982 -4.636) 8.736 6.447 ( 8.891 -0.472 1.368) 9.008 7.675 ( 7.320 -2.060 1.728) 7.798======================= Grid point 257 (92/288) =======================q-point: (-0.14 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.339 ( -8.162 -3.386 2.704) 9.241 1.685 ( -9.470 -1.258 0.664) 9.576 1.852 ( -3.585 -0.877 -0.443) 3.718 2.237 ( -13.970 0.924 0.151) 14.002 2.727 ( 4.411 2.431 -2.007) 5.422 3.456 ( -24.196 -3.572 0.704) 24.469 5.243 ( -9.374 0.284 0.714) 9.406 5.637 ( 3.789 -0.370 0.260) 3.815 5.852 ( -1.388 0.686 -0.267) 1.571 6.343 ( 3.868 2.751 -3.588) 5.950 6.636 ( 12.188 0.845 1.134) 12.269 7.801 ( 8.538 -1.223 0.289) 8.630======================= Grid point 258 (93/288) =======================q-point: (-0.07 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.140 ( -12.403 -3.052 3.360) 13.208 1.469 ( -13.785 -3.151 -2.851) 14.425 1.769 ( -6.755 1.632 1.990) 7.228 2.009 ( -12.513 0.722 0.102) 12.534 2.804 ( 0.595 -0.176 -5.886) 5.919 2.988 ( -26.083 1.003 4.545) 26.495 5.087 ( -8.749 -0.210 0.585) 8.771 5.714 ( 5.752 -0.656 -0.846) 5.850 5.859 ( 1.704 0.208 -0.163) 1.724 6.409 ( 2.267 1.956 -2.863) 4.143 6.869 ( 13.604 0.308 2.427) 13.822 7.922 ( 7.439 -1.788 -2.923) 8.191======================= Grid point 263 (94/288) =======================q-point: ( 0.29 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.342 ( -0.000 7.544 6.651) 10.057 1.370 ( 0.000 15.620 1.031) 15.654 1.760 ( -0.000 8.300 7.826) 11.408 1.761 ( 0.000 10.343 -4.764) 11.387 2.580 ( 0.000 15.664 -8.143) 17.654 2.894 ( -0.000 11.667 2.611) 11.956 5.017 ( -0.000 6.834 0.611) 6.862 5.769 ( 0.000 -4.940 -0.602) 4.977 5.863 ( 0.000 -3.364 -0.498) 3.400 6.248 ( 0.000 0.569 -7.623) 7.644 7.044 ( -0.000 -15.749 4.498) 16.379 7.967 ( 0.000 -1.873 -6.407) 6.675======================= Grid point 264 (95/288) =======================q-point: ( 0.36 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.382 ( -2.159 5.313 3.461) 6.698 1.515 ( 0.325 12.186 -2.238) 12.394 1.816 ( 0.153 6.751 2.648) 7.253 1.980 ( 8.523 11.300 0.268) 14.156 2.633 ( 1.595 0.164 -7.457) 7.627 3.148 ( 5.452 24.522 4.152) 25.461 5.117 ( 3.594 7.152 0.727) 8.037 5.702 ( -2.468 -3.859 -1.153) 4.724 5.836 ( 0.043 -1.609 -0.375) 1.652 6.240 ( 2.006 -2.266 -4.916) 5.773 6.881 ( -2.426 -15.302 3.453) 15.873 7.885 ( -4.732 -2.728 -5.598) 7.821======================= Grid point 265 (96/288) =======================q-point: ( 0.43 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.423 ( 0.182 5.224 2.421) 5.760 1.609 ( -0.034 9.227 -4.538) 10.282 1.884 ( 1.247 2.802 1.869) 3.592 2.259 ( 9.135 12.778 0.877) 15.732 2.643 ( 3.089 -1.385 -3.008) 4.529 3.504 ( 7.939 20.685 2.164) 22.261 5.275 ( 5.525 7.936 1.285) 9.754 5.615 ( -3.409 -2.126 -1.565) 4.311 5.832 ( 0.370 0.486 -1.153) 1.305 6.235 ( 2.445 -4.086 -3.119) 5.693 6.691 ( -4.280 -13.481 2.472) 14.358 7.735 ( -7.064 -3.377 -4.504) 9.033======================= Grid point 266 (97/288) =======================q-point: ( 0.50 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.503 ( 1.698 5.742 2.417) 6.457 1.680 ( 1.067 6.983 -4.662) 8.464 1.926 ( 1.230 0.780 0.908) 1.717 2.454 ( 2.243 2.260 2.268) 3.909 2.759 ( 7.556 10.495 -0.790) 12.957 3.799 ( 6.627 12.375 0.753) 14.058 5.439 ( 3.269 7.483 1.552) 8.312 5.555 ( -1.569 0.550 -1.062) 1.973 5.849 ( 1.024 1.411 -2.479) 3.031 6.229 ( 2.522 -3.782 -2.319) 5.103 6.492 ( -6.190 -9.890 1.759) 11.799 7.578 ( -5.192 -3.991 -2.866) 7.148======================= Grid point 267 (98/288) =======================q-point: ( 0.57 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.587 ( 0.298 5.806 1.532) 6.012 1.764 ( 3.300 4.963 -3.345) 6.835 1.948 ( 0.957 -0.239 0.251) 1.018 2.441 ( -1.897 -3.852 2.606) 5.023 3.021 ( 4.008 18.702 -0.024) 19.127 3.967 ( 4.113 3.307 0.363) 5.290 5.518 ( 1.394 2.543 0.648) 2.972 5.578 ( -0.809 5.545 0.285) 5.611 5.873 ( 1.938 -0.130 -3.125) 3.680 6.222 ( -0.744 -2.450 -1.617) 3.028 6.327 ( -4.318 -2.955 1.487) 5.440 7.478 ( -0.746 -4.764 -1.209) 4.971======================= Grid point 268 (99/288) =======================q-point: ( 0.64 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.631 ( -1.899 5.379 0.829) 5.764 1.853 ( 3.843 1.455 -2.904) 5.032 1.956 ( 0.481 -0.592 -0.210) 0.791 2.364 ( -3.080 -3.341 2.384) 5.132 3.205 ( -5.592 19.859 -0.191) 20.632 4.024 ( 3.343 -3.469 0.774) 4.880 5.569 ( 1.544 -0.617 -0.130) 1.668 5.600 ( -2.093 5.976 1.123) 6.430 5.898 ( 3.703 -1.800 -3.061) 5.130 6.142 ( -5.868 2.398 1.654) 6.552 6.305 ( 0.060 0.444 -0.871) 0.980 7.448 ( 2.870 -5.025 -0.093) 5.788======================= Grid point 269 (100/288) =======================q-point: (-0.29 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.629 ( -4.129 3.697 0.712) 5.587 1.890 ( 2.069 -1.918 -2.530) 3.789 1.951 ( -0.604 -0.774 -0.168) 0.996 2.315 ( -0.511 -0.486 1.594) 1.743 3.198 ( -14.646 14.268 -0.324) 20.450 4.031 ( 1.513 -4.445 0.921) 4.785 5.545 ( -1.806 -0.822 0.077) 1.986 5.626 ( -1.998 2.716 1.098) 3.546 5.958 ( 5.368 -1.082 -2.859) 6.177 6.113 ( -3.542 7.233 1.956) 8.288 6.297 ( 0.309 -1.561 -0.920) 1.838 7.470 ( 4.846 -4.068 0.425) 6.341======================= Grid point 270 (101/288) =======================q-point: (-0.21 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.565 ( -5.974 0.656 0.752) 6.057 1.886 ( -0.197 -1.371 -2.960) 3.268 1.911 ( -2.663 -0.760 1.612) 3.204 2.349 ( 3.262 0.737 0.885) 3.459 3.013 ( -17.726 6.032 -0.196) 18.725 3.971 ( -5.635 -2.452 0.470) 6.163 5.505 ( -3.409 0.178 0.617) 3.469 5.593 ( -2.685 -0.022 0.454) 2.723 5.973 ( -3.107 0.651 -1.204) 3.395 6.194 ( 4.290 6.191 -2.118) 7.824 6.311 ( 5.027 -3.055 1.316) 6.028 7.536 ( 6.515 -2.303 0.184) 6.913======================= Grid point 271 (102/288) =======================q-point: (-0.14 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.454 ( -7.143 -0.870 0.894) 7.251 1.799 ( -6.296 -1.608 -2.940) 7.133 1.894 ( -1.354 0.963 1.190) 2.044 2.397 ( -1.501 0.449 1.240) 1.998 2.777 ( -10.702 0.546 -0.341) 10.721 3.781 ( -15.405 -0.207 0.368) 15.411 5.403 ( -8.490 -0.389 0.692) 8.527 5.581 ( 1.655 -0.596 -0.513) 1.833 5.902 ( -4.010 -0.164 -0.933) 4.121 6.300 ( 3.382 3.027 -1.953) 4.941 6.439 ( 11.285 -1.337 1.555) 11.470 7.643 ( 7.960 -1.075 -1.237) 8.127======================= Grid point 272 (103/288) =======================q-point: (-0.07 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.315 ( -9.023 0.274 0.314) 9.032 1.629 ( -10.212 -2.549 -4.881) 11.602 1.876 ( -3.151 2.257 1.657) 4.215 2.246 ( -13.922 -0.511 0.950) 13.964 2.735 ( 3.463 -0.522 -1.082) 3.666 3.464 ( -23.358 3.596 1.513) 23.682 5.241 ( -9.311 -0.885 0.492) 9.366 5.618 ( 3.708 -1.004 -1.707) 4.204 5.852 ( -1.077 -0.430 -0.297) 1.198 6.373 ( 3.306 1.382 -0.658) 3.643 6.642 ( 13.202 -1.488 1.906) 13.421 7.761 ( 7.805 -1.361 -3.852) 8.810======================= Grid point 278 (104/288) =======================q-point: ( 0.36 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.426 ( 0.000 1.131 -0.682) 1.321 1.614 ( 0.000 9.790 -3.474) 10.388 1.902 ( -0.000 3.310 2.214) 3.982 2.007 ( 0.000 14.365 -0.180) 14.366 2.586 ( 0.000 -2.724 -4.036) 4.869 3.367 ( -0.000 25.683 3.308) 25.895 5.142 ( 0.000 5.232 -0.129) 5.234 5.688 ( 0.000 -2.725 -1.452) 3.088 5.827 ( -0.000 0.247 0.166) 0.297 6.188 ( 0.000 -2.863 -2.629) 3.887 6.758 ( -0.000 -14.960 1.671) 15.053 7.884 ( 0.000 -3.081 -4.468) 5.427======================= Grid point 279 (105/288) =======================q-point: ( 0.43 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.441 ( 1.343 1.359 -1.021) 2.166 1.676 ( -0.273 6.462 -5.853) 8.723 1.916 ( -0.766 2.246 0.937) 2.551 2.227 ( 8.432 12.613 0.401) 15.177 2.566 ( 2.042 -3.257 0.015) 3.844 3.635 ( 2.575 21.549 1.905) 21.786 5.236 ( 5.695 4.343 -0.110) 7.163 5.641 ( -2.204 -1.447 -2.081) 3.359 5.841 ( -0.109 2.339 0.001) 2.341 6.162 ( 0.993 -3.431 -0.527) 3.610 6.609 ( -1.465 -13.223 0.316) 13.308 7.798 ( -4.881 -3.178 -3.541) 6.816======================= Grid point 280 (106/288) =======================q-point: ( 0.50 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.503 ( 3.664 2.712 0.406) 4.577 1.711 ( 0.591 4.417 -5.524) 7.097 1.930 ( -0.001 1.211 0.760) 1.430 2.441 ( 2.697 2.637 2.575) 4.567 2.664 ( 12.016 6.091 0.003) 13.472 3.862 ( 2.289 14.509 0.658) 14.703 5.406 ( 8.220 4.619 0.476) 9.441 5.586 ( -2.298 -0.057 -1.769) 2.901 5.860 ( -0.729 2.882 -1.427) 3.298 6.152 ( 1.822 -3.240 0.526) 3.754 6.460 ( -2.269 -10.336 -0.225) 10.584 7.651 ( -7.361 -2.818 -2.640) 8.313======================= Grid point 281 (107/288) =======================q-point: ( 0.57 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.605 ( 3.853 3.651 1.060) 5.413 1.756 ( 1.676 3.416 -3.053) 4.879 1.942 ( 0.172 0.387 0.413) 0.591 2.439 ( -1.231 -3.009 2.572) 4.145 3.012 ( 15.162 12.670 0.176) 19.759 3.983 ( -0.496 6.202 -0.015) 6.222 5.532 ( 0.129 2.298 0.298) 2.321 5.601 ( 4.157 3.194 -0.089) 5.243 5.853 ( -1.403 0.434 -2.934) 3.281 6.177 ( 3.519 -0.780 0.381) 3.625 6.340 ( -2.051 -6.061 0.389) 6.410 7.498 ( -6.224 -2.578 -1.687) 6.945======================= Grid point 282 (108/288) =======================q-point: ( 0.64 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.695 ( 1.474 4.451 0.582) 4.725 1.806 ( 1.995 0.805 -1.203) 2.465 1.947 ( 0.201 -0.082 0.086) 0.234 2.383 ( -2.270 -2.915 1.576) 4.016 3.374 ( 9.588 16.005 0.338) 18.660 3.965 ( -2.785 -3.260 -0.100) 4.289 5.552 ( 0.561 1.165 0.496) 1.385 5.676 ( -0.015 3.726 0.783) 3.808 5.815 ( 0.561 -3.282 -3.077) 4.533 6.226 ( -0.305 2.206 0.278) 2.244 6.298 ( 1.361 -0.959 0.478) 1.732 7.394 ( -2.153 -2.875 -0.750) 3.669======================= Grid point 283 (109/288) =======================q-point: (-0.29 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.733 ( -2.891 3.989 0.737) 4.982 1.829 ( 2.455 -1.879 -1.210) 3.320 1.948 ( 0.112 -0.165 -0.091) 0.219 2.330 ( -1.669 -1.344 0.930) 2.337 3.563 ( -9.905 15.316 -0.001) 18.240 3.895 ( 6.064 -9.256 0.270) 11.069 5.554 ( -0.927 -0.624 0.171) 1.130 5.692 ( -2.118 2.433 1.129) 3.417 5.831 ( 5.933 -1.774 -2.258) 6.591 6.232 ( -1.551 3.247 1.546) 3.917 6.302 ( -1.907 -0.035 -1.047) 2.175 7.371 ( 2.450 -2.263 -0.156) 3.339======================= Grid point 284 (110/288) =======================q-point: (-0.21 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.672 ( -5.646 -0.514 0.327) 5.678 1.861 ( 1.726 0.947 -0.941) 2.182 1.942 ( -0.962 0.044 0.108) 0.969 2.316 ( 0.965 -0.434 1.065) 1.501 3.361 ( -18.550 0.175 0.193) 18.551 3.969 ( 3.973 -0.427 -0.055) 3.996 5.530 ( -1.241 -0.011 0.371) 1.296 5.656 ( -3.205 -0.744 0.173) 3.295 5.940 ( 6.058 1.210 -1.979) 6.487 6.229 ( -1.441 -4.721 -0.792) 4.999 6.252 ( -1.632 4.501 1.657) 5.067 7.423 ( 4.944 -0.232 -0.411) 4.967======================= Grid point 285 (111/288) =======================q-point: (-0.14 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.560 ( -6.083 -1.387 0.244) 6.244 1.864 ( -3.278 1.059 -3.356) 4.809 1.928 ( -0.823 1.411 1.456) 2.189 2.362 ( 4.011 -0.343 2.251) 4.612 3.017 ( -17.661 -5.653 0.253) 18.545 3.964 ( -5.466 1.755 -0.218) 5.745 5.501 ( -3.641 -0.662 0.284) 3.712 5.584 ( -2.744 -0.861 -0.510) 2.920 5.959 ( -3.295 -0.791 -2.399) 4.152 6.242 ( 8.453 -4.786 2.243) 9.969 6.288 ( 1.366 3.528 -0.730) 3.853 7.520 ( 5.923 1.300 -1.440) 6.233======================= Grid point 286 (112/288) =======================q-point: (-0.07 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.448 ( -6.307 0.110 -0.466) 6.326 1.754 ( -8.296 0.155 -5.413) 9.907 1.938 ( -1.205 2.266 1.217) 2.840 2.407 ( -2.727 -0.516 2.340) 3.630 2.721 ( -7.102 -5.664 0.650) 9.107 3.823 ( -13.976 3.874 0.275) 14.506 5.370 ( -7.840 -3.232 0.133) 8.481 5.572 ( 0.603 0.603 -1.868) 2.054 5.883 ( -3.098 -0.495 -0.731) 3.221 6.316 ( 4.237 -2.611 2.929) 5.774 6.415 ( 10.748 -0.578 -1.699) 10.897 7.630 ( 6.008 1.145 -2.983) 6.805======================= Grid point 293 (113/288) =======================q-point: ( 0.43 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.426 ( 0.000 0.221 -2.131) 2.143 1.702 ( 0.000 2.846 -8.553) 9.014 1.938 ( 0.000 0.830 -0.214) 0.857 2.267 ( 0.000 11.423 0.500) 11.434 2.522 ( -0.000 -3.551 3.638) 5.084 3.819 ( 0.000 18.282 1.094) 18.314 5.206 ( 0.000 1.729 -0.780) 1.897 5.643 ( 0.000 -0.636 -2.875) 2.945 5.877 ( -0.000 4.026 0.711) 4.088 6.129 ( -0.000 -2.692 2.052) 3.385 6.498 ( 0.000 -11.190 -1.542) 11.295 7.801 ( 0.000 -3.046 -2.623) 4.020======================= Grid point 294 (114/288) =======================q-point: ( 0.50 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.453 ( 3.473 0.837 -1.043) 3.721 1.702 ( 1.338 1.168 -7.547) 7.753 1.944 ( -0.162 0.734 0.364) 0.835 2.430 ( 4.389 5.921 1.502) 7.522 2.530 ( 5.884 -0.337 2.835) 6.540 3.980 ( 0.429 12.808 0.209) 12.816 5.286 ( 7.756 1.325 -0.547) 7.887 5.616 ( -1.707 0.188 -2.454) 2.996 5.912 ( -1.082 4.038 0.121) 4.182 6.113 ( 0.203 -2.440 2.916) 3.807 6.389 ( -0.825 -8.041 -2.217) 8.381 7.726 ( -4.667 -2.379 -1.914) 5.577======================= Grid point 295 (115/288) =======================q-point: ( 0.57 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.546 ( 5.703 1.536 0.200) 5.910 1.736 ( 2.812 1.729 -3.490) 4.804 1.947 ( -0.196 0.257 0.353) 0.479 2.443 ( -1.281 -2.167 2.529) 3.568 2.807 ( 17.866 6.121 0.202) 18.887 4.072 ( -1.385 6.917 -0.255) 7.059 5.467 ( 10.703 1.829 -0.192) 10.860 5.584 ( -1.678 0.755 -1.271) 2.236 5.907 ( -3.211 2.120 -0.778) 3.925 6.113 ( 2.051 -2.158 1.944) 3.555 6.308 ( -0.862 -4.195 -1.224) 4.454 7.598 ( -7.285 -1.295 -1.300) 7.513======================= Grid point 296 (116/288) =======================q-point: ( 0.64 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.658 ( 5.460 1.283 -0.093) 5.610 1.791 ( 1.704 1.460 -0.235) 2.257 1.946 ( -0.066 -0.049 0.168) 0.187 2.398 ( -1.945 -2.081 0.743) 2.944 3.195 ( 20.526 5.039 0.206) 21.136 4.053 ( -5.951 1.593 -0.376) 6.172 5.567 ( -0.773 0.949 0.123) 1.230 5.638 ( 6.738 1.092 -0.635) 6.856 5.843 ( -4.963 0.104 -0.408) 4.981 6.174 ( 6.426 -0.561 0.126) 6.451 6.273 ( -0.297 -1.090 0.317) 1.174 7.461 ( -7.041 -0.503 -0.618) 7.086======================= Grid point 297 (117/288) =======================q-point: (-0.29 -0.57 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.751 ( 4.584 -0.315 -0.364) 4.609 1.801 ( -1.426 0.564 0.517) 1.618 1.946 ( 0.081 -0.009 0.060) 0.101 2.350 ( -1.901 -0.881 -0.370) 2.128 3.564 ( 18.570 -0.396 -0.025) 18.574 3.901 ( -12.013 0.266 -0.105) 12.016 5.562 ( -0.320 -0.415 -0.208) 0.563 5.727 ( 3.069 -2.101 -1.399) 3.974 5.769 ( -2.901 3.558 1.932) 4.981 6.256 ( -0.488 0.067 -0.110) 0.505 6.286 ( 4.581 -0.601 -0.012) 4.620 7.367 ( -3.240 0.439 0.073) 3.271======================= Grid point 298 (118/288) =======================q-point: (-0.21 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.723 ( -2.793 -4.422 -0.319) 5.240 1.846 ( 2.515 3.261 0.567) 4.157 1.949 ( 0.184 0.282 0.033) 0.338 2.316 ( -1.271 -0.221 -0.447) 1.365 3.564 ( -9.357 -15.368 0.016) 17.992 3.891 ( 5.485 8.927 -0.130) 10.479 5.553 ( -0.390 0.481 0.044) 0.620 5.676 ( -1.930 -3.291 -0.571) 3.858 5.863 ( 4.686 4.499 1.085) 6.586 6.208 ( -2.681 -4.636 -0.881) 5.427 6.317 ( -0.546 0.456 0.527) 0.885 7.373 ( 1.955 2.502 0.067) 3.176======================= Grid point 299 (119/288) =======================q-point: (-0.14 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.621 ( -3.936 -3.778 -0.125) 5.458 1.911 ( 0.377 3.742 -0.532) 3.798 1.954 ( -0.392 1.019 0.294) 1.131 2.307 ( 1.366 -1.026 0.911) 1.937 3.204 ( -14.522 -14.175 0.256) 20.295 4.018 ( 1.384 3.966 -0.399) 4.219 5.552 ( -2.308 1.063 0.807) 2.666 5.606 ( -1.530 -3.190 -1.117) 3.710 5.975 ( 1.807 2.781 -1.373) 3.590 6.098 ( 0.372 -7.695 0.769) 7.742 6.311 ( -0.674 0.999 0.469) 1.293 7.460 ( 3.995 3.915 -0.644) 5.630======================= Grid point 300 (120/288) =======================q-point: (-0.07 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.524 ( -3.966 -1.949 -0.360) 4.434 1.886 ( -6.460 3.498 -4.217) 8.471 1.973 ( -0.075 2.213 0.571) 2.286 2.361 ( 5.402 -1.517 3.511) 6.619 2.831 ( -13.345 -12.087 0.284) 18.008 4.016 ( -5.212 3.005 -0.253) 6.022 5.443 ( -5.990 -5.683 -0.012) 8.257 5.595 ( -1.247 3.068 -1.211) 3.527 5.930 ( -3.129 -0.691 -1.336) 3.472 6.142 ( 8.177 -6.827 2.386) 10.916 6.334 ( 2.028 2.126 -1.279) 3.204 7.564 ( 3.975 3.545 -1.364) 5.498======================= Grid point 308 (121/288) =======================q-point: ( 0.50 0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.420 ( 0.000 0.344 -1.080) 1.133 1.668 ( 0.000 0.152 -6.085) 6.087 1.952 ( -0.000 0.435 0.555) 0.705 2.444 ( 0.000 6.160 0.240) 6.165 2.481 ( -0.000 -3.186 3.763) 4.930 4.083 ( 0.000 8.647 -0.404) 8.657 5.218 ( 0.000 0.237 -0.424) 0.486 5.628 ( 0.000 0.581 -1.848) 1.937 5.961 ( -0.000 3.473 0.317) 3.488 6.100 ( -0.000 -2.259 2.603) 3.447 6.327 ( 0.000 -4.433 -2.301) 4.994 7.741 ( 0.000 -1.793 -1.331) 2.233======================= Grid point 309 (122/288) =======================q-point: ( 0.57 0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.464 ( 4.530 0.539 -0.170) 4.565 1.689 ( 2.819 1.645 -1.354) 3.534 1.954 ( -0.268 0.040 0.490) 0.560 2.449 ( -0.959 -2.123 1.398) 2.717 2.591 ( 11.337 2.594 0.258) 11.632 4.142 ( -0.453 4.097 -0.681) 4.178 5.297 ( 8.742 0.385 -0.105) 8.752 5.618 ( -1.451 0.872 -0.385) 1.736 5.972 ( -1.915 1.719 -0.206) 2.582 6.081 ( 0.004 -2.227 0.264) 2.242 6.291 ( -0.618 -1.128 -0.413) 1.351 7.687 ( -4.303 -0.657 -0.901) 4.445======================= Grid point 310 (123/288) =======================q-point: (-0.36 -0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.560 ( 6.070 -0.120 -0.370) 6.082 1.767 ( 2.996 2.015 2.149) 4.202 1.949 ( -0.303 -0.131 0.304) 0.449 2.410 ( -1.466 -1.545 -0.804) 2.276 2.870 ( 19.113 -0.045 0.192) 19.114 4.136 ( -2.572 0.076 -0.715) 2.671 5.483 ( 11.233 0.068 -0.466) 11.243 5.598 ( -1.677 0.670 0.799) 1.974 5.930 ( -4.042 0.539 0.311) 4.090 6.079 ( 2.729 -1.086 -1.171) 3.161 6.279 ( -0.703 0.692 0.835) 1.292 7.585 ( -7.057 0.480 -0.384) 7.084======================= Grid point 311 (124/288) =======================q-point: (-0.29 -0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.651 ( 5.506 -1.710 -0.712) 5.809 1.815 ( 0.500 0.275 2.271) 2.341 1.945 ( -0.072 -0.156 0.130) 0.216 2.372 ( -1.498 0.075 -2.004) 2.503 3.193 ( 20.282 -5.271 0.004) 20.955 4.053 ( -5.742 -1.415 -0.436) 5.930 5.560 ( -0.562 -1.285 -0.684) 1.560 5.644 ( 5.423 -0.783 -0.058) 5.479 5.871 ( -4.037 2.147 2.641) 5.280 6.161 ( 7.388 -0.154 -1.226) 7.491 6.275 ( -1.333 0.953 0.537) 1.724 7.471 ( -6.950 1.541 0.380) 7.129======================= Grid point 312 (125/288) =======================q-point: (-0.21 -0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.682 ( 1.576 -5.065 -0.732) 5.355 1.834 ( 1.664 0.830 1.762) 2.562 1.945 ( 0.366 -0.220 -0.141) 0.449 2.348 ( -1.837 1.590 -2.165) 3.254 3.367 ( 9.634 -15.915 -0.429) 18.609 3.967 ( -2.879 3.054 0.124) 4.199 5.541 ( 0.601 -1.137 -0.741) 1.484 5.663 ( -0.105 -3.553 -0.575) 3.600 5.882 ( 0.163 4.603 3.965) 6.077 6.223 ( -2.240 -2.336 -0.005) 3.236 6.281 ( 3.244 0.622 -1.355) 3.570 7.411 ( -2.624 3.494 0.929) 4.467======================= Grid point 313 (126/288) =======================q-point: (-0.14 -0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.621 ( -1.485 -5.315 -0.233) 5.523 1.900 ( 3.944 0.848 1.949) 4.480 1.957 ( 0.897 0.539 -0.170) 1.060 2.321 ( -2.540 1.688 -2.025) 3.660 3.206 ( -5.154 -19.671 -0.116) 20.335 4.017 ( 2.806 3.165 -0.023) 4.230 5.560 ( 2.473 -1.051 -0.972) 2.857 5.597 ( -2.603 -3.576 0.765) 4.489 5.955 ( 2.673 1.663 2.880) 4.267 6.110 ( -6.984 -2.082 -1.715) 7.487 6.313 ( 0.896 -0.413 -0.031) 0.987 7.454 ( 1.830 5.116 0.555) 5.462======================= Grid point 314 (127/288) =======================q-point: (-0.07 0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.547 ( -1.994 -3.454 -0.000) 3.988 1.967 ( 0.724 1.254 -0.000) 1.448 1.988 ( 1.515 2.625 -0.000) 3.031 2.294 ( -0.192 -0.333 -0.000) 0.385 2.890 ( -9.557 -16.554 -0.000) 19.115 4.072 ( 0.709 1.227 -0.000) 1.417 5.465 ( -4.359 -7.551 -0.000) 8.719 5.631 ( 2.009 3.481 -0.000) 4.019 5.962 ( -2.636 -4.566 -0.000) 5.273 6.016 ( 0.075 0.129 -0.000) 0.149 6.328 ( 0.801 1.387 -0.000) 1.601 7.547 ( 2.696 4.670 -0.000) 5.392======================= Grid point 324 (128/288) =======================q-point: (-0.43 -0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.428 ( -0.000 0.559 0.578) 0.804 1.691 ( -0.000 3.528 3.412) 4.908 1.957 ( -0.000 -0.262 0.420) 0.496 2.437 ( 0.000 -2.114 -0.706) 2.229 2.505 ( 0.000 -0.105 -0.068) 0.125 4.163 ( 0.000 0.154 -0.905) 0.918 5.222 ( -0.000 0.272 0.456) 0.532 5.642 ( -0.000 0.957 1.076) 1.440 5.995 ( 0.000 -0.226 -0.520) 0.567 6.060 ( 0.000 -1.356 -2.616) 2.947 6.301 ( -0.000 1.272 1.574) 2.024 7.720 ( 0.000 0.401 -0.692) 0.800======================= Grid point 325 (129/288) =======================q-point: (-0.36 -0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.471 ( 3.827 0.063 0.604) 3.875 1.764 ( 1.633 3.533 6.514) 7.588 1.952 ( -0.220 -0.370 0.300) 0.524 2.410 ( -0.679 -0.938 -2.852) 3.078 2.589 ( 11.541 -2.956 0.015) 11.914 4.138 ( -0.469 -3.977 -1.016) 4.131 5.303 ( 8.510 0.016 0.504) 8.525 5.639 ( -1.745 0.533 1.800) 2.563 5.971 ( -1.224 -1.644 -0.173) 2.057 6.045 ( 0.337 0.311 -3.265) 3.297 6.318 ( -1.059 2.896 2.203) 3.790 7.692 ( -4.197 1.573 -0.420) 4.502======================= Grid point 326 (130/288) =======================q-point: (-0.29 -0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.542 ( 4.813 -1.530 -0.271) 5.058 1.819 ( 0.286 0.064 5.302) 5.310 1.945 ( -0.269 -0.643 0.090) 0.702 2.388 ( -0.667 1.009 -3.421) 3.629 2.808 ( 17.903 -6.146 0.300) 18.931 4.066 ( -1.190 -6.965 -0.928) 7.127 5.464 ( 9.450 -1.904 -0.543) 9.655 5.608 ( -2.018 -0.399 1.148) 2.356 5.932 ( -1.373 -1.607 1.987) 2.901 6.076 ( 2.937 2.612 -1.828) 4.335 6.333 ( -2.081 4.207 1.346) 4.883 7.613 ( -6.986 2.436 0.220) 7.402======================= Grid point 327 (131/288) =======================q-point: (-0.21 -0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.584 ( 3.469 -4.477 -1.225) 5.795 1.821 ( 0.212 -1.963 3.917) 4.386 1.932 ( 0.228 -1.096 -0.737) 1.340 2.387 ( -0.843 2.903 -2.948) 4.222 3.011 ( 14.709 -12.430 0.001) 19.258 3.979 ( -0.065 -6.357 -0.369) 6.368 5.520 ( 0.931 -2.588 -0.926) 2.902 5.599 ( 2.023 -3.016 -0.273) 3.642 5.920 ( 0.257 -0.701 4.029) 4.098 6.175 ( 4.651 3.096 0.238) 5.592 6.330 ( -3.938 4.833 -0.764) 6.281 7.526 ( -6.177 3.658 1.201) 7.279======================= Grid point 328 (132/288) =======================q-point: (-0.14 -0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.565 ( 1.326 -6.100 -0.791) 6.293 1.831 ( 2.941 -3.255 3.818) 5.815 1.939 ( 1.450 0.178 -0.902) 1.717 2.387 ( -2.180 3.646 -3.050) 5.229 3.019 ( 4.031 -18.199 -0.197) 18.642 3.963 ( 4.044 -3.768 0.013) 5.527 5.506 ( 1.165 -3.402 -0.627) 3.650 5.580 ( 0.179 -3.542 0.396) 3.568 5.933 ( 1.118 -2.248 3.226) 4.088 6.249 ( -4.700 5.897 0.704) 7.573 6.292 ( -0.686 1.467 -1.785) 2.410 7.506 ( -1.719 5.272 1.696) 5.799======================= Grid point 339 (133/288) =======================q-point: (-0.36 -0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.445 ( -0.000 0.410 1.516) 1.570 1.812 ( -0.000 2.568 8.992) 9.351 1.952 ( -0.000 -0.164 0.663) 0.683 2.407 ( 0.000 1.483 -4.202) 4.456 2.440 ( -0.000 -6.333 -0.220) 6.336 4.075 ( 0.000 -8.881 -1.307) 8.976 5.231 ( -0.000 0.026 0.997) 0.998 5.667 ( -0.000 0.172 2.109) 2.116 5.948 ( 0.000 -3.687 -1.029) 3.828 6.048 ( 0.000 2.472 -2.743) 3.693 6.374 ( -0.000 4.867 2.573) 5.506 7.749 ( 0.000 2.880 -0.488) 2.921======================= Grid point 340 (134/288) =======================q-point: (-0.29 -0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.471 ( 2.190 -0.649 0.787) 2.416 1.833 ( -0.507 -2.174 6.071) 6.469 1.946 ( -0.845 -0.925 0.636) 1.405 2.388 ( 0.925 -1.707 -2.679) 3.309 2.505 ( 10.274 -2.340 0.094) 10.537 3.964 ( 0.616 -13.330 -1.462) 13.424 5.295 ( 7.041 -1.517 0.457) 7.217 5.650 ( -2.254 -0.267 0.957) 2.463 5.908 ( 0.237 -4.090 -0.418) 4.118 6.085 ( 0.899 4.758 0.080) 4.842 6.425 ( -1.566 6.896 1.680) 7.268 7.743 ( -4.374 3.783 -0.190) 5.786======================= Grid point 341 (135/288) =======================q-point: (-0.21 -0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.490 ( 2.098 -3.671 -1.076) 4.363 1.804 ( -0.242 -4.960 4.315) 6.579 1.913 ( -0.360 -2.208 -1.153) 2.517 2.395 ( 2.045 -0.957 -2.126) 3.101 2.676 ( 12.058 -5.096 1.220) 13.148 3.845 ( 2.895 -15.084 -1.124) 15.400 5.392 ( 7.008 -5.176 -0.994) 8.769 5.606 ( -2.673 0.182 0.390) 2.707 5.886 ( 1.446 -3.206 1.042) 3.668 6.171 ( 2.294 5.935 2.729) 6.923 6.461 ( -3.594 8.424 -0.255) 9.163 7.684 ( -6.889 4.497 0.801) 8.266======================= Grid point 342 (136/288) =======================q-point: (-0.14 -0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.465 ( 2.103 -6.636 -1.652) 7.155 1.765 ( 1.074 -6.454 4.355) 7.860 1.905 ( 1.724 -0.796 -1.304) 2.303 2.412 ( 1.624 -1.286 -2.106) 2.954 2.772 ( 6.485 -9.241 0.620) 11.307 3.785 ( 7.205 -13.217 -0.648) 15.067 5.412 ( 3.594 -7.641 -1.247) 8.536 5.574 ( -1.636 0.584 0.916) 1.964 5.889 ( 1.530 -3.042 1.753) 3.830 6.278 ( 2.288 5.011 2.772) 6.166 6.456 ( -6.860 8.946 -2.122) 11.472 7.627 ( -5.442 5.521 2.245) 8.071======================= Grid point 354 (137/288) =======================q-point: (-0.29 -0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.452 ( -0.000 -0.697 0.657) 0.958 1.810 ( -0.000 -6.161 2.881) 6.801 1.947 ( -0.000 -2.411 0.265) 2.425 2.263 ( -0.000 -11.245 0.115) 11.245 2.492 ( -0.000 8.300 0.955) 8.355 3.790 ( 0.000 -19.252 -1.901) 19.345 5.220 ( -0.000 -2.180 0.591) 2.258 5.670 ( 0.000 0.013 -0.099) 0.100 5.864 ( 0.000 -3.591 -0.640) 3.647 6.131 ( -0.000 5.733 2.349) 6.195 6.523 ( -0.000 9.117 1.163) 9.191 7.823 ( 0.000 4.805 -0.423) 4.824======================= Grid point 355 (138/288) =======================q-point: (-0.21 -0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.438 ( -0.133 -3.303 -1.418) 3.597 1.743 ( 0.594 -8.752 0.894) 8.817 1.894 ( -1.227 -4.218 -1.024) 4.510 2.220 ( 7.297 -11.832 -0.197) 13.902 2.603 ( 1.979 7.755 3.652) 8.797 3.599 ( 3.086 -22.765 -1.888) 23.051 5.234 ( 4.740 -5.039 -0.353) 6.927 5.656 ( -1.948 1.309 -0.420) 2.384 5.841 ( 0.715 -1.874 -0.025) 2.006 6.211 ( 1.261 5.956 4.523) 7.584 6.605 ( -2.175 10.769 -0.209) 10.989 7.833 ( -4.371 5.331 0.075) 6.895======================= Grid point 356 (139/288) =======================q-point: (-0.14 -0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.367 ( 0.065 -8.028 -3.377) 8.710 1.678 ( 1.676 -9.465 2.248) 9.871 1.855 ( 1.690 -3.138 -0.983) 3.697 2.241 ( 8.219 -11.848 -0.747) 14.439 2.703 ( 1.034 4.478 3.159) 5.577 3.467 ( 8.801 -22.292 -1.657) 24.023 5.252 ( 4.951 -8.053 -1.164) 9.525 5.635 ( -2.809 2.686 0.544) 3.925 5.848 ( 1.162 -0.825 0.569) 1.534 6.307 ( 1.633 5.153 4.326) 6.924 6.650 ( -5.029 11.339 -1.910) 12.550 7.794 ( -6.352 5.815 1.729) 8.784======================= Grid point 369 (140/288) =======================q-point: (-0.21 -0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.403 ( 0.000 -4.547 -3.024) 5.461 1.624 ( 0.000 -12.500 -3.300) 12.928 1.853 ( 0.000 -6.313 -1.516) 6.493 2.028 ( -0.000 -12.414 1.844) 12.551 2.687 ( -0.000 7.976 5.889) 9.914 3.312 ( 0.000 -27.714 -2.389) 27.816 5.141 ( -0.000 -5.876 -0.312) 5.884 5.689 ( 0.000 2.775 -1.104) 2.987 5.829 ( -0.000 0.375 0.281) 0.469 6.271 ( -0.000 5.277 6.008) 7.996 6.737 ( 0.000 12.350 -0.716) 12.370 7.925 ( 0.000 5.597 -0.313) 5.605======================= Grid point 370 (141/288) =======================q-point: (-0.14 -0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.286 ( -3.002 -10.776 -6.349) 12.863 1.524 ( 4.025 -12.605 -2.392) 13.446 1.781 ( 0.965 -6.963 -0.286) 7.035 1.989 ( 6.860 -10.997 1.312) 13.028 2.769 ( -0.362 4.947 6.279) 8.002 3.075 ( 6.268 -27.980 -3.114) 28.842 5.103 ( 2.980 -7.399 -0.739) 8.011 5.709 ( -1.554 4.407 -0.366) 4.688 5.844 ( 0.131 1.809 0.443) 1.868 6.345 ( 0.981 4.054 5.995) 7.303 6.833 ( -3.018 12.877 -1.700) 13.335 7.944 ( -3.848 5.560 0.532) 6.782======================= Grid point 384 (142/288) =======================q-point: (-0.14 -0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.202 ( 0.000 -12.911 -8.003) 15.190 1.295 ( 0.000 -17.213 -8.112) 19.029 1.681 ( -0.000 -11.523 0.608) 11.539 1.845 ( -0.000 -7.563 3.984) 8.548 2.691 ( -0.000 -30.214 2.588) 30.324 2.864 ( -0.000 3.557 0.441) 3.584 5.006 ( 0.000 -6.991 -0.498) 7.009 5.770 ( 0.000 5.807 -0.497) 5.829 5.874 ( -0.000 3.510 0.578) 3.557 6.388 ( -0.000 2.422 6.973) 7.382 6.986 ( 0.000 13.548 -1.659) 13.649 8.028 ( 0.000 4.829 -0.173) 4.832======================= Grid point 431 (143/288) =======================q-point: ( 0.14 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.402 ( -0.000 0.000 21.868) 21.868 0.402 ( -0.000 0.000 21.868) 21.868 0.725 ( -0.000 0.000 39.902) 39.902 1.676 ( 0.000 -0.000 -4.030) 4.030 1.676 ( 0.000 -0.000 -4.030) 4.030 3.407 ( 0.000 -0.000 -11.094) 11.094 4.783 ( -0.000 0.000 0.938) 0.938 4.783 ( -0.000 0.000 0.938) 0.938 6.043 ( 0.000 -0.000 -0.560) 0.560 6.043 ( 0.000 -0.000 -0.560) 0.560 7.553 ( -0.000 0.000 1.845) 1.845 8.056 ( 0.000 -0.000 -0.578) 0.578======================= Grid point 432 (144/288) =======================q-point: ( 0.21 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.488 ( 8.253 4.765 14.099) 17.018 0.623 ( 6.655 3.842 21.232) 22.580 1.180 ( 23.784 13.732 25.223) 37.288 1.703 ( 2.454 1.417 -3.330) 4.372 1.728 ( 7.253 4.187 -6.042) 10.327 3.005 ( -9.402 -5.428 -1.182) 10.921 4.814 ( 2.327 1.343 1.027) 2.876 5.807 ( 36.340 20.981 -34.535) 54.346 5.998 ( -3.370 -1.946 -1.124) 4.050 6.017 ( -2.125 -1.227 -0.560) 2.517 7.521 ( -4.831 -2.789 4.072) 6.906 8.009 ( -2.491 -1.438 -4.873) 5.659======================= Grid point 433 (145/288) =======================q-point: ( 0.29 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.769 ( 12.629 7.291 5.906) 15.733 0.851 ( 8.781 5.069 11.564) 15.379 1.645 ( 10.174 5.874 9.082) 14.850 1.771 ( 4.437 2.561 -2.391) 5.653 2.070 ( 24.587 14.195 -0.526) 28.395 2.892 ( -1.190 -0.687 -4.956) 5.143 4.892 ( 4.279 2.470 0.868) 5.016 5.873 ( -6.235 -3.600 -1.403) 7.335 5.952 ( -3.255 -1.879 -0.496) 3.791 6.240 ( 12.773 7.375 -15.530) 21.418 7.359 ( -10.471 -6.046 7.620) 14.292 7.921 ( -3.570 -2.061 -9.522) 10.376======================= Grid point 434 (146/288) =======================q-point: ( 0.36 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.053 ( 10.917 6.303 1.600) 12.707 1.078 ( 9.484 5.475 2.217) 11.173 1.818 ( 5.298 3.059 2.030) 6.446 1.896 ( 7.220 4.168 -1.197) 8.422 2.600 ( 16.307 9.415 -3.566) 19.164 2.954 ( 10.717 6.187 1.532) 12.469 5.006 ( 5.358 3.093 0.480) 6.205 5.720 ( -6.442 -3.719 -1.695) 7.630 5.881 ( -2.611 -1.507 -0.293) 3.029 6.389 ( 4.044 2.335 -6.664) 8.137 7.108 ( -13.645 -7.878 7.078) 17.273 7.801 ( -4.030 -2.326 -9.137) 10.253======================= Grid point 435 (147/288) =======================q-point: ( 0.43 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.257 ( 7.044 4.067 -0.722) 8.166 1.296 ( 10.098 5.830 -3.539) 12.185 1.917 ( 3.317 1.915 0.564) 3.871 2.085 ( 9.314 5.378 -0.207) 10.757 2.724 ( 0.265 0.153 -3.013) 3.029 3.376 ( 20.195 11.660 3.195) 23.537 5.123 ( 4.633 2.675 -0.114) 5.351 5.594 ( -3.802 -2.195 -1.709) 4.711 5.847 ( -0.170 -0.098 0.153) 0.249 6.406 ( -0.648 -0.374 -3.256) 3.341 6.788 ( -15.791 -9.117 2.816) 18.450 7.707 ( -2.250 -1.299 -4.813) 5.470======================= Grid point 436 (148/288) =======================q-point: ( 0.50 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.375 ( 4.014 2.317 -1.557) 4.889 1.516 ( 10.783 6.225 -6.200) 13.909 1.975 ( 1.843 1.064 -0.143) 2.133 2.292 ( 8.420 4.861 0.177) 9.724 2.666 ( -4.902 -2.830 0.731) 5.707 3.775 ( 14.005 8.086 1.630) 16.253 5.204 ( 2.580 1.490 -0.742) 3.070 5.554 ( 0.840 0.485 -1.362) 1.672 5.875 ( 2.268 1.310 0.732) 2.719 6.354 ( -5.231 -3.020 1.774) 6.295 6.446 ( -11.672 -6.739 -3.960) 14.047 7.667 ( -0.752 -0.434 -0.910) 1.258======================= Grid point 437 (149/288) =======================q-point: ( 0.57 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.439 ( 2.174 1.255 -1.533) 2.942 1.744 ( 11.138 6.430 -7.665) 14.971 2.001 ( 0.553 0.320 -0.920) 1.120 2.445 ( 4.802 2.772 0.222) 5.549 2.518 ( -8.290 -4.786 3.096) 10.060 4.014 ( 6.828 3.942 1.344) 7.998 5.241 ( 1.138 0.657 -1.029) 1.669 5.619 ( 4.888 2.822 -1.250) 5.781 5.932 ( 2.075 1.198 1.063) 2.621 6.098 ( -11.997 -6.927 1.693) 13.957 6.363 ( -0.080 -0.046 -2.804) 2.805 7.658 ( -0.162 -0.094 0.840) 0.861======================= Grid point 438 (150/288) =======================q-point: (-0.36 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.469 ( 0.868 0.501 -1.056) 1.456 1.957 ( 8.415 4.858 -6.995) 11.973 1.995 ( -0.309 -0.178 -2.684) 2.708 2.346 ( -6.557 -3.786 4.394) 8.754 2.499 ( -0.177 -0.102 0.142) 0.249 4.098 ( 0.189 0.109 1.760) 1.774 5.255 ( 0.462 0.267 -0.904) 1.049 5.725 ( 2.464 1.423 -2.360) 3.696 5.917 ( -2.323 -1.341 3.164) 4.148 5.957 ( -0.389 -0.225 1.021) 1.116 6.371 ( 1.283 0.741 -1.316) 1.982 7.665 ( 0.603 0.348 1.579) 1.725======================= Grid point 439 (151/288) =======================q-point: (-0.29 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.472 ( -0.404 -0.233 -0.190) 0.504 1.939 ( -4.236 -2.446 0.259) 4.898 2.018 ( -2.372 -1.370 -1.297) 3.031 2.354 ( 7.284 4.206 -2.383) 8.742 2.437 ( -5.243 -3.027 -0.084) 6.054 4.024 ( -7.437 -4.294 1.822) 8.779 5.255 ( -0.409 -0.236 -0.487) 0.679 5.682 ( -3.149 -1.818 1.291) 3.859 5.921 ( -2.734 -1.578 0.655) 3.224 6.026 ( 8.181 4.724 -1.366) 9.545 6.418 ( 3.370 1.945 -0.371) 3.909 7.702 ( 2.241 1.294 2.526) 3.617======================= Grid point 440 (152/288) =======================q-point: (-0.21 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.446 ( -2.185 -1.261 1.293) 2.835 1.792 ( -8.958 -5.172 5.041) 11.507 1.948 ( -3.271 -1.888 -0.622) 3.828 2.271 ( -9.074 -5.239 -0.653) 10.498 2.550 ( 9.624 5.557 -4.650) 12.047 3.760 ( -16.443 -9.493 1.156) 19.022 5.225 ( -2.482 -1.433 0.076) 2.867 5.643 ( -0.532 -0.307 2.547) 2.620 5.857 ( -2.474 -1.428 0.055) 2.857 6.201 ( 7.528 4.346 -4.913) 9.985 6.534 ( 7.082 4.089 0.073) 8.178 7.785 ( 4.332 2.501 3.526) 6.120======================= Grid point 441 (153/288) =======================q-point: (-0.14 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.371 ( -5.553 -3.206 3.991) 7.552 1.575 ( -11.924 -6.884 7.367) 15.615 1.852 ( -5.416 -3.127 -1.125) 6.354 2.045 ( -9.897 -5.714 -2.005) 11.602 2.733 ( 7.388 4.265 -4.129) 9.477 3.297 ( -24.341 -14.053 0.749) 28.116 5.137 ( -5.238 -3.024 0.456) 6.065 5.676 ( 2.758 1.593 1.905) 3.711 5.832 ( 0.512 0.296 -0.439) 0.737 6.326 ( 4.993 2.883 -6.141) 8.423 6.733 ( 10.205 5.892 0.188) 11.785 7.909 ( 5.418 3.128 3.044) 6.957======================= Grid point 446 (154/288) =======================q-point: ( 0.21 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.636 ( -0.000 17.070 11.968) 20.848 0.771 ( -0.000 15.174 17.411) 23.095 1.163 ( -0.000 16.959 30.190) 34.628 1.633 ( 0.000 0.053 -6.598) 6.599 1.769 ( 0.000 11.087 -4.062) 11.808 3.001 ( 0.000 -11.637 -3.118) 12.048 4.814 ( -0.000 2.626 1.021) 2.817 5.686 ( 0.000 39.901 -29.502) 49.623 6.010 ( 0.000 -1.642 -1.963) 2.559 6.012 ( 0.000 -2.669 -0.690) 2.757 7.528 ( -0.000 -5.775 3.897) 6.967 8.010 ( 0.000 -1.802 -4.592) 4.933======================= Grid point 447 (155/288) =======================q-point: ( 0.29 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.848 ( 0.262 19.856 6.281) 20.828 0.917 ( -1.743 12.287 17.943) 21.816 1.558 ( 11.634 9.197 14.695) 20.877 1.679 ( 7.225 2.195 -4.828) 8.963 1.956 ( 8.583 20.327 -2.120) 22.167 2.884 ( -1.635 -3.341 -6.189) 7.221 4.871 ( 2.389 3.975 1.055) 4.756 5.902 ( -1.256 -3.867 -2.649) 4.853 5.959 ( -1.162 -2.704 -1.208) 3.182 6.084 ( 9.301 14.696 -17.078) 24.375 7.425 ( -4.519 -10.394 6.589) 13.110 7.948 ( -3.535 -0.533 -8.277) 9.016======================= Grid point 448 (156/288) =======================q-point: ( 0.36 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.049 ( 0.723 12.768 10.718) 16.686 1.090 ( 3.429 14.053 2.279) 14.644 1.744 ( 6.741 2.774 0.220) 7.293 1.848 ( 5.673 6.674 0.064) 8.760 2.422 ( 17.414 18.237 -1.050) 25.238 2.877 ( 4.535 3.395 -2.615) 6.239 4.974 ( 3.822 5.486 0.985) 6.758 5.777 ( -5.523 -4.955 -1.560) 7.582 5.899 ( -1.964 -2.796 -0.521) 3.457 6.290 ( 7.446 4.200 -9.369) 12.682 7.223 ( -8.532 -12.262 7.534) 16.731 7.836 ( -5.296 -0.908 -9.446) 10.867======================= Grid point 449 (157/288) =======================q-point: ( 0.43 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.205 ( 3.382 7.854 5.226) 10.021 1.284 ( 3.584 12.523 -2.537) 13.270 1.870 ( 4.650 2.041 0.517) 5.105 2.028 ( 6.763 9.907 -0.647) 12.012 2.681 ( 4.236 2.193 -5.034) 6.935 3.190 ( 17.808 15.037 3.405) 23.555 5.103 ( 3.641 6.667 0.708) 7.630 5.637 ( -4.943 -3.587 -1.556) 6.302 5.850 ( -0.921 -1.220 -0.397) 1.579 6.366 ( 2.832 -1.041 -5.271) 6.073 6.943 ( -12.582 -12.035 4.874) 18.080 7.718 ( -3.525 -1.822 -6.275) 7.424======================= Grid point 450 (158/288) =======================q-point: ( 0.50 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.343 ( 3.450 5.532 1.410) 6.670 1.450 ( 4.873 10.177 -4.444) 12.127 1.945 ( 2.702 0.816 0.013) 2.823 2.251 ( 6.405 11.406 0.142) 13.082 2.695 ( -1.052 -1.380 -1.481) 2.281 3.626 ( 15.352 11.896 1.976) 19.522 5.216 ( 1.314 6.997 0.133) 7.121 5.550 ( -1.438 -1.315 -1.189) 2.283 5.851 ( 1.559 0.458 0.046) 1.626 6.358 ( 0.413 -2.346 -3.519) 4.250 6.603 ( -15.178 -10.165 1.069) 18.299 7.652 ( -0.336 -2.710 -1.860) 3.304======================= Grid point 451 (159/288) =======================q-point: ( 0.57 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.430 ( 1.354 4.164 -0.418) 4.399 1.634 ( 7.635 8.499 -5.570) 12.710 1.982 ( 1.439 -0.073 -0.596) 1.560 2.435 ( 2.862 7.417 0.959) 8.008 2.624 ( -5.552 0.407 0.476) 5.588 3.931 ( 9.285 6.541 1.422) 11.447 5.282 ( -1.347 6.904 -0.471) 7.050 5.561 ( 3.228 0.751 -0.808) 3.411 5.900 ( 2.766 0.693 0.654) 2.926 6.266 ( -14.142 -6.426 0.789) 15.554 6.336 ( 0.824 -1.955 -3.285) 3.910 7.633 ( 1.350 -3.145 0.522) 3.462======================= Grid point 452 (160/288) =======================q-point: ( 0.64 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.475 ( 0.005 3.185 -0.833) 3.292 1.830 ( 8.750 6.227 -7.138) 12.895 1.989 ( 0.152 -0.766 -1.163) 1.401 2.419 ( -5.180 -4.845 3.330) 7.836 2.604 ( -4.721 11.136 -0.183) 12.096 4.083 ( 3.347 1.928 1.718) 4.227 5.311 ( -2.787 6.797 -0.677) 7.377 5.648 ( 5.417 0.568 -1.405) 5.625 5.936 ( 0.514 -0.913 1.497) 1.827 6.032 ( -7.989 -1.078 1.148) 8.142 6.337 ( 1.748 -0.955 -1.785) 2.674 7.635 ( 2.048 -2.938 1.309) 3.813======================= Grid point 453 (161/288) =======================q-point: (-0.29 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.490 ( -1.021 2.078 -0.554) 2.381 1.962 ( -0.422 -1.214 -3.418) 3.652 1.976 ( 3.767 0.386 -3.976) 5.491 2.320 ( -1.431 -0.971 3.036) 3.494 2.594 ( -8.541 9.278 -0.348) 12.615 4.091 ( -3.186 -1.976 1.945) 4.224 5.319 ( -3.627 6.176 -0.481) 7.179 5.683 ( 0.259 -3.372 -0.731) 3.460 5.951 ( -1.115 0.697 2.646) 2.954 5.981 ( 2.007 3.375 -0.838) 4.015 6.366 ( 3.145 -0.394 -0.971) 3.315 7.657 ( 3.235 -2.214 1.826) 4.325======================= Grid point 454 (162/288) =======================q-point: (-0.21 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.476 ( -2.094 0.317 0.339) 2.145 1.887 ( -5.440 -2.939 0.654) 6.218 1.962 ( -1.379 -3.177 -0.969) 3.597 2.363 ( 0.420 0.141 -0.390) 0.590 2.526 ( -5.474 8.999 -2.069) 10.735 3.935 ( -11.853 -5.703 1.586) 13.249 5.300 ( -4.820 4.277 -0.031) 6.444 5.645 ( -0.297 -2.504 1.401) 2.884 5.896 ( -3.548 -1.099 0.717) 3.783 6.119 ( 6.427 5.671 -3.418) 9.228 6.444 ( 6.289 0.965 -0.213) 6.366 7.718 ( 5.313 -1.183 2.414) 5.954======================= Grid point 455 (163/288) =======================q-point: (-0.14 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.420 ( -3.870 -2.843 2.395) 5.366 1.733 ( -9.409 -3.357 3.181) 10.484 1.892 ( -3.243 -3.058 -0.654) 4.505 2.220 ( -13.176 0.057 -0.293) 13.180 2.637 ( 6.824 5.465 -3.920) 9.581 3.584 ( -21.467 -8.611 1.210) 23.161 5.230 ( -6.785 1.132 0.491) 6.896 5.648 ( 1.995 -0.536 1.471) 2.536 5.841 ( -1.763 -0.073 -0.072) 1.765 6.256 ( 5.247 4.288 -5.388) 8.657 6.602 ( 10.075 2.840 0.319) 10.472 7.825 ( 7.032 -0.358 1.985) 7.316======================= Grid point 461 (164/288) =======================q-point: ( 0.29 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.045 ( -0.000 17.894 5.553) 18.735 1.156 ( -0.000 13.795 12.999) 18.954 1.601 ( -0.000 11.451 16.346) 19.958 1.611 ( 0.000 3.111 -8.419) 8.976 2.101 ( 0.000 24.443 -1.701) 24.502 2.844 ( 0.000 -2.462 -6.707) 7.145 4.898 ( -0.000 5.258 0.928) 5.339 5.864 ( 0.000 -3.693 -1.855) 4.133 5.939 ( 0.000 -4.086 -0.649) 4.137 6.101 ( 0.000 12.425 -13.903) 18.646 7.361 ( -0.000 -13.879 6.482) 15.318 7.954 ( 0.000 0.083 -8.701) 8.701======================= Grid point 462 (165/288) =======================q-point: ( 0.36 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.219 ( -0.490 14.500 2.812) 14.778 1.262 ( -3.979 12.261 9.506) 16.016 1.675 ( 4.697 5.990 -2.912) 8.150 1.812 ( 6.846 7.319 4.531) 10.998 2.404 ( 7.381 21.502 -3.174) 22.954 2.846 ( 2.724 5.190 -2.433) 6.346 4.981 ( 2.710 6.512 0.986) 7.122 5.792 ( -2.779 -5.434 -1.254) 6.231 5.889 ( -0.790 -3.500 -0.500) 3.622 6.203 ( 4.485 5.275 -8.833) 11.223 7.205 ( -3.392 -15.575 6.489) 17.210 7.890 ( -4.284 -0.222 -8.906) 9.885======================= Grid point 463 (166/288) =======================q-point: ( 0.43 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.304 ( -1.684 8.100 5.796) 10.102 1.379 ( 0.010 13.175 -1.313) 13.240 1.818 ( 4.612 4.458 1.256) 6.536 2.015 ( 7.386 10.837 -0.423) 13.121 2.616 ( 4.520 4.059 -6.137) 8.635 3.107 ( 12.139 18.957 3.248) 22.744 5.117 ( 4.117 8.116 1.245) 9.185 5.674 ( -4.419 -4.303 -1.523) 6.354 5.847 ( -0.645 -1.990 -0.760) 2.225 6.277 ( 3.972 -0.847 -5.211) 6.607 6.988 ( -6.529 -15.159 5.255) 17.322 7.765 ( -6.027 -1.387 -7.203) 9.494======================= Grid point 464 (167/288) =======================q-point: ( 0.50 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.387 ( 0.674 7.144 4.290) 8.360 1.493 ( 1.129 10.439 -3.991) 11.233 1.908 ( 2.666 1.404 0.744) 3.103 2.270 ( 7.059 13.966 0.416) 15.654 2.672 ( 2.180 0.428 -2.794) 3.569 3.519 ( 13.309 15.959 1.881) 20.865 5.270 ( 2.857 9.326 1.309) 9.841 5.570 ( -3.151 -2.188 -1.220) 4.026 5.832 ( 0.698 -0.213 -1.101) 1.321 6.293 ( 2.212 -3.279 -3.973) 5.607 6.721 ( -10.230 -12.466 2.734) 16.356 7.641 ( -3.493 -3.156 -3.689) 5.981======================= Grid point 465 (168/288) =======================q-point: ( 0.57 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.474 ( 0.248 6.229 2.381) 6.673 1.614 ( 3.639 8.837 -4.012) 10.364 1.952 ( 1.742 0.028 -0.048) 1.743 2.466 ( 2.157 5.569 1.539) 6.168 2.715 ( 0.040 8.431 -1.027) 8.493 3.845 ( 9.809 8.968 1.072) 13.334 5.387 ( -0.417 9.431 0.916) 9.485 5.531 ( 0.281 0.011 -0.648) 0.707 5.860 ( 2.548 0.493 -0.911) 2.750 6.278 ( 1.255 -3.351 -3.863) 5.266 6.433 ( -11.936 -7.369 1.455) 14.103 7.571 ( 0.456 -4.721 -0.693) 4.793======================= Grid point 466 (169/288) =======================q-point: ( 0.64 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.528 ( -1.081 5.385 0.717) 5.539 1.758 ( 5.377 6.694 -4.228) 9.571 1.969 ( 0.842 -0.723 -0.599) 1.261 2.453 ( -3.112 -4.129 2.285) 5.653 2.826 ( -3.823 17.559 -0.582) 17.979 4.033 ( 5.543 2.622 1.309) 6.270 5.449 ( -3.162 9.263 0.425) 9.797 5.569 ( 3.703 0.379 -0.460) 3.750 5.906 ( 2.592 -0.240 -0.466) 2.644 6.162 ( -8.726 -3.519 -0.672) 9.433 6.302 ( 0.210 -0.551 -0.796) 0.990 7.552 ( 2.824 -5.201 0.603) 5.949======================= Grid point 467 (170/288) =======================q-point: (-0.29 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.549 ( -2.219 4.355 0.239) 4.894 1.881 ( 4.778 2.452 -5.360) 7.587 1.965 ( -0.093 -0.881 -0.714) 1.138 2.356 ( -3.443 -3.175 3.020) 5.573 2.881 ( -9.684 16.487 -0.523) 19.128 4.099 ( 1.103 -1.570 1.657) 2.535 5.469 ( -4.613 8.126 0.335) 9.350 5.625 ( 2.587 -1.699 -0.646) 3.162 5.950 ( 3.319 1.263 -0.976) 3.683 6.031 ( -5.323 0.918 1.548) 5.619 6.312 ( 1.738 -0.661 -1.123) 2.172 7.564 ( 4.006 -4.770 1.004) 6.309======================= Grid point 468 (171/288) =======================q-point: (-0.21 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.536 ( -3.421 2.398 0.376) 4.194 1.910 ( 0.027 -1.687 -4.255) 4.577 1.945 ( -1.021 -1.800 0.209) 2.080 2.334 ( 1.654 0.700 1.968) 2.664 2.816 ( -13.969 12.334 -0.618) 18.645 4.043 ( -5.463 -3.851 1.424) 6.834 5.452 ( -5.844 5.980 0.633) 8.385 5.617 ( 0.150 -2.681 0.150) 2.689 5.960 ( -3.668 0.047 -0.215) 3.675 6.067 ( 5.025 5.627 -1.464) 7.685 6.349 ( 4.363 -0.959 -0.345) 4.480 7.605 ( 5.547 -3.853 1.135) 6.849======================= Grid point 469 (172/288) =======================q-point: (-0.14 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.479 ( -4.687 -0.678 1.357) 4.926 1.833 ( -5.365 -2.465 -1.807) 6.174 1.904 ( -1.529 -1.845 0.446) 2.437 2.381 ( -1.363 1.230 0.963) 2.073 2.688 ( -9.447 7.637 -1.455) 12.235 3.835 ( -14.700 -4.744 1.025) 15.480 5.383 ( -7.923 3.016 0.952) 8.531 5.606 ( 1.463 -1.952 0.367) 2.467 5.892 ( -3.945 0.373 -0.361) 3.979 6.202 ( 4.959 5.172 -4.046) 8.229 6.456 ( 8.857 0.193 0.756) 8.892 7.686 ( 7.512 -2.874 0.499) 8.059======================= Grid point 476 (173/288) =======================q-point: ( 0.36 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.376 ( 0.000 13.690 0.404) 13.696 1.388 ( -0.000 3.607 3.117) 4.768 1.725 ( 0.000 13.175 -2.847) 13.479 1.826 ( -0.000 5.619 6.374) 8.497 2.509 ( 0.000 12.088 -7.136) 14.037 2.917 ( -0.000 16.728 2.464) 16.909 5.022 ( -0.000 6.609 0.483) 6.627 5.761 ( 0.000 -4.995 -1.165) 5.129 5.860 ( 0.000 -3.200 -0.298) 3.214 6.187 ( 0.000 2.861 -5.811) 6.477 7.088 ( -0.000 -17.077 5.234) 17.861 7.901 ( 0.000 -0.493 -8.163) 8.178======================= Grid point 477 (174/288) =======================q-point: ( 0.43 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.399 ( -1.021 3.240 0.028) 3.397 1.494 ( -0.134 10.257 -2.350) 10.524 1.840 ( 0.174 7.432 2.759) 7.929 1.981 ( 8.145 10.506 -0.223) 13.295 2.576 ( 2.171 2.553 -5.128) 6.126 3.182 ( 5.103 23.923 3.516) 24.712 5.123 ( 3.977 6.906 0.483) 7.984 5.689 ( -2.574 -4.019 -1.792) 5.098 5.833 ( -0.220 -1.500 -0.305) 1.546 6.205 ( 1.978 -0.730 -2.903) 3.588 6.914 ( -2.262 -16.843 3.864) 17.428 7.829 ( -4.666 -1.274 -6.843) 8.379======================= Grid point 478 (175/288) =======================q-point: ( 0.50 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.439 ( 1.455 4.186 1.075) 4.560 1.570 ( -0.083 8.275 -4.210) 9.285 1.900 ( 0.834 2.428 1.623) 3.037 2.265 ( 9.625 13.471 0.451) 16.562 2.621 ( 3.308 0.451 -1.767) 3.778 3.522 ( 7.495 19.941 1.784) 21.377 5.286 ( 5.977 7.765 0.941) 9.844 5.600 ( -3.210 -2.178 -1.711) 4.240 5.822 ( -0.150 0.303 -1.123) 1.173 6.214 ( 1.993 -2.942 -1.675) 3.929 6.713 ( -4.154 -14.768 2.374) 15.524 7.693 ( -6.632 -2.293 -4.750) 8.473======================= Grid point 479 (176/288) =======================q-point: ( 0.57 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.525 ( 2.100 4.999 2.433) 5.943 1.641 ( 1.417 7.190 -4.037) 8.367 1.933 ( 0.904 0.716 0.650) 1.324 2.472 ( 2.320 2.808 1.716) 4.027 2.752 ( 7.729 11.255 -0.638) 13.668 3.805 ( 6.483 11.941 0.583) 13.600 5.452 ( 3.311 7.216 1.239) 8.035 5.546 ( -1.130 0.886 -0.795) 1.641 5.828 ( 0.824 0.766 -2.115) 2.396 6.211 ( 1.839 -2.722 -1.639) 3.671 6.506 ( -6.065 -10.394 1.282) 12.102 7.555 ( -4.428 -3.599 -2.327) 6.163======================= Grid point 480 (177/288) =======================q-point: ( 0.64 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.601 ( -0.037 5.353 1.487) 5.556 1.738 ( 3.336 5.594 -2.436) 6.954 1.950 ( 0.679 -0.178 0.041) 0.703 2.460 ( -1.827 -3.736 1.684) 4.487 3.020 ( 3.893 19.030 -0.132) 19.425 3.970 ( 4.381 3.028 0.462) 5.346 5.523 ( 1.577 2.062 0.496) 2.643 5.582 ( -1.095 6.276 0.632) 6.403 5.848 ( 2.325 -1.011 -2.382) 3.479 6.209 ( -0.431 -1.011 -1.417) 1.793 6.338 ( -4.842 -3.345 0.839) 5.945 7.470 ( -0.086 -4.867 -0.562) 4.900======================= Grid point 481 (178/288) =======================q-point: ( 0.71 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.640 ( -2.022 5.357 0.949) 5.804 1.828 ( 3.140 2.214 -2.598) 4.638 1.954 ( 0.290 -0.471 -0.315) 0.636 2.383 ( -2.806 -3.652 1.811) 4.949 3.203 ( -5.792 20.005 -0.278) 20.828 4.032 ( 3.703 -3.731 0.945) 5.341 5.567 ( 0.879 -0.326 -0.123) 0.945 5.611 ( -1.629 6.098 1.291) 6.442 5.873 ( 3.841 -2.446 -2.473) 5.182 6.156 ( -5.229 3.150 1.334) 6.248 6.296 ( -0.310 0.247 -1.102) 1.171 7.449 ( 3.252 -5.243 0.179) 6.172======================= Grid point 482 (179/288) =======================q-point: (-0.21 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.636 ( -4.223 3.760 0.860) 5.719 1.865 ( 1.705 -0.872 -3.018) 3.574 1.949 ( -0.382 -0.549 -0.214) 0.702 2.332 ( -0.516 -1.069 2.187) 2.488 3.196 ( -14.687 14.456 -0.248) 20.609 4.040 ( 1.576 -4.871 0.925) 5.202 5.548 ( -1.463 -0.869 0.476) 1.767 5.635 ( -2.402 2.955 0.853) 3.903 5.929 ( 5.260 -0.911 -3.486) 6.375 6.131 ( -4.053 6.917 2.026) 8.269 6.289 ( 0.905 -1.515 -0.917) 1.989 7.473 ( 5.045 -4.400 0.164) 6.696======================= Grid point 483 (180/288) =======================q-point: (-0.14 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.574 ( -5.809 0.599 1.071) 5.937 1.856 ( -1.048 -1.082 -3.722) 4.015 1.924 ( -1.624 -0.583 1.116) 2.055 2.363 ( 3.005 0.771 2.236) 3.824 3.011 ( -17.895 6.286 -0.106) 18.967 3.975 ( -5.591 -2.872 0.466) 6.303 5.511 ( -3.099 -0.145 0.899) 3.230 5.596 ( -3.051 -0.071 0.371) 3.074 5.953 ( -1.894 0.258 -3.103) 3.644 6.180 ( 2.100 6.194 -1.000) 6.616 6.322 ( 5.784 -2.131 1.042) 6.251 7.534 ( 6.495 -2.944 -0.565) 7.153======================= Grid point 491 (181/288) =======================q-point: ( 0.43 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.411 ( 0.000 0.505 -2.595) 2.644 1.573 ( 0.000 7.849 -5.642) 9.666 1.913 ( -0.000 1.804 0.393) 1.846 2.011 ( 0.000 14.653 0.855) 14.678 2.564 ( 0.000 0.582 -0.953) 1.117 3.395 ( -0.000 24.685 2.794) 24.843 5.140 ( 0.000 4.897 -0.330) 4.908 5.669 ( 0.000 -3.110 -2.704) 4.121 5.830 ( -0.000 0.520 0.360) 0.632 6.176 ( -0.000 -1.342 0.045) 1.343 6.775 ( -0.000 -16.658 1.977) 16.775 7.838 ( 0.000 -1.628 -5.776) 6.001======================= Grid point 492 (182/288) =======================q-point: ( 0.50 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.428 ( 2.258 1.338 -1.826) 3.198 1.617 ( 0.432 5.191 -7.157) 8.852 1.923 ( -0.270 1.614 0.572) 1.734 2.230 ( 8.508 12.854 0.429) 15.421 2.575 ( 1.441 -1.064 1.942) 2.642 3.650 ( 2.369 20.740 1.349) 20.918 5.234 ( 6.081 4.067 -0.323) 7.323 5.618 ( -1.887 -1.636 -2.909) 3.834 5.841 ( -0.642 2.471 0.100) 2.554 6.168 ( 0.500 -2.142 1.708) 2.785 6.612 ( -1.176 -14.790 0.380) 14.842 7.762 ( -4.802 -1.953 -4.385) 6.790======================= Grid point 493 (183/288) =======================q-point: ( 0.57 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.506 ( 4.588 2.613 0.351) 5.292 1.662 ( 1.731 4.539 -5.308) 7.196 1.937 ( 0.051 0.943 0.647) 1.144 2.462 ( 3.236 3.648 1.926) 5.243 2.667 ( 11.070 6.036 0.775) 12.632 3.866 ( 2.149 14.065 0.210) 14.230 5.409 ( 8.747 4.342 0.044) 9.765 5.568 ( -1.770 -0.009 -2.052) 2.710 5.850 ( -1.578 2.894 -0.858) 3.406 6.162 ( 0.959 -2.188 1.775) 2.976 6.458 ( -1.659 -11.384 -0.295) 11.508 7.626 ( -7.134 -2.004 -2.862) 7.944======================= Grid point 494 (184/288) =======================q-point: ( 0.64 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.613 ( 3.998 3.091 0.691) 5.100 1.733 ( 2.477 4.328 -2.097) 5.409 1.945 ( 0.080 0.247 0.332) 0.422 2.459 ( -1.535 -3.115 1.739) 3.884 3.014 ( 15.206 12.784 0.226) 19.868 3.981 ( -0.469 5.995 -0.224) 6.018 5.533 ( 0.089 2.256 -0.079) 2.259 5.599 ( 5.234 2.953 -0.378) 6.021 5.833 ( -2.146 0.776 -1.541) 2.753 6.182 ( 2.552 -0.254 0.607) 2.636 6.343 ( -1.322 -6.371 0.246) 6.512 7.484 ( -5.883 -2.201 -1.443) 6.445======================= Grid point 495 (185/288) =======================q-point: ( 0.71 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.699 ( 1.743 4.077 0.322) 4.445 1.797 ( 1.677 1.479 -0.639) 2.326 1.947 ( 0.087 -0.102 0.046) 0.142 2.394 ( -2.257 -3.383 0.851) 4.155 3.377 ( 9.478 16.087 0.187) 18.672 3.964 ( -2.505 -3.470 -0.055) 4.280 5.556 ( 0.577 1.141 0.259) 1.305 5.682 ( 0.727 3.649 0.554) 3.762 5.793 ( -0.085 -2.780 -1.768) 3.295 6.228 ( 0.535 2.240 0.195) 2.311 6.300 ( 0.432 -0.964 0.180) 1.072 7.389 ( -1.861 -2.748 -0.417) 3.345======================= Grid point 496 (186/288) =======================q-point: (-0.21 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.740 ( -2.842 3.809 0.757) 4.813 1.818 ( 2.118 -1.301 -1.178) 2.750 1.947 ( 0.047 -0.082 -0.106) 0.142 2.338 ( -1.284 -1.892 0.888) 2.453 3.564 ( -9.966 15.447 0.022) 18.383 3.898 ( 6.245 -9.590 0.256) 11.447 5.556 ( -0.845 -0.599 0.307) 1.081 5.703 ( -2.395 1.831 1.216) 3.251 5.810 ( 5.763 -0.728 -2.362) 6.270 6.245 ( -0.749 2.128 1.229) 2.569 6.293 ( -2.506 0.907 -0.849) 2.797 7.369 ( 2.461 -2.284 -0.159) 3.362======================= Grid point 497 (187/288) =======================q-point: (-0.14 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.676 ( -5.453 -0.930 0.588) 5.563 1.849 ( 0.876 1.601 -1.559) 2.400 1.943 ( -0.658 0.125 0.148) 0.686 2.329 ( 1.542 -0.717 1.837) 2.503 3.363 ( -18.571 0.313 0.346) 18.577 3.968 ( 4.019 -0.771 -0.099) 4.094 5.534 ( -1.262 -0.025 0.639) 1.415 5.659 ( -3.108 -1.398 0.367) 3.428 5.916 ( 5.016 2.048 -3.369) 6.380 6.224 ( -0.929 -4.045 -0.332) 4.163 6.268 ( -1.558 3.848 1.665) 4.473 7.418 ( 4.697 -0.419 -0.742) 4.774======================= Grid point 506 (188/288) =======================q-point: ( 0.50 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.405 ( 0.000 0.651 -2.290) 2.381 1.621 ( 0.000 2.556 -9.068) 9.422 1.939 ( -0.000 1.108 0.440) 1.192 2.273 ( 0.000 11.236 0.666) 11.256 2.558 ( -0.000 -2.463 4.298) 4.954 3.826 ( 0.000 17.558 0.336) 17.561 5.200 ( 0.000 1.705 -0.645) 1.823 5.614 ( 0.000 -0.446 -3.314) 3.344 5.883 ( -0.000 4.020 0.533) 4.055 6.155 ( -0.000 -1.928 3.839) 4.296 6.483 ( 0.000 -12.506 -1.626) 12.611 7.774 ( 0.000 -1.950 -3.469) 3.980======================= Grid point 507 (189/288) =======================q-point: ( 0.57 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.445 ( 4.118 1.248 -0.791) 4.375 1.639 ( 2.367 2.522 -6.171) 7.074 1.949 ( -0.181 0.769 0.765) 1.100 2.440 ( 5.849 7.053 0.701) 9.190 2.559 ( 3.826 -1.738 3.349) 5.373 3.979 ( 0.457 12.390 -0.527) 12.409 5.281 ( 7.843 1.389 -0.431) 7.977 5.594 ( -1.435 0.817 -2.336) 2.861 5.913 ( -1.450 3.939 0.040) 4.198 6.143 ( -0.159 -2.699 3.698) 4.581 6.369 ( -0.439 -8.404 -2.188) 8.695 7.706 ( -4.616 -1.542 -2.475) 5.460======================= Grid point 508 (190/288) =======================q-point: ( 0.64 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.547 ( 5.874 1.329 -0.157) 6.024 1.713 ( 3.671 3.554 -1.573) 5.346 1.951 ( -0.325 0.188 0.582) 0.693 2.462 ( -1.557 -2.903 1.548) 3.640 2.810 ( 17.726 5.991 0.446) 18.716 4.067 ( -1.285 6.763 -0.831) 6.934 5.464 ( 10.811 1.740 -0.524) 10.963 5.574 ( -1.537 1.527 -0.848) 2.327 5.902 ( -3.458 2.313 -0.281) 4.169 6.129 ( 1.653 -3.295 1.656) 4.041 6.299 ( -0.359 -3.578 -0.723) 3.668 7.586 ( -7.157 -0.718 -1.506) 7.349======================= Grid point 509 (191/288) =======================q-point: ( 0.71 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.655 ( 5.506 1.033 -0.566) 5.631 1.794 ( 1.662 2.434 0.918) 3.087 1.948 ( -0.177 -0.071 0.291) 0.348 2.401 ( -2.025 -3.036 -0.105) 3.651 3.198 ( 20.514 4.966 0.273) 21.109 4.048 ( -5.789 1.577 -0.719) 6.043 5.567 ( -0.631 0.757 -0.066) 0.988 5.631 ( 6.652 1.388 -0.883) 6.852 5.844 ( -4.950 0.966 0.692) 5.091 6.172 ( 6.054 -1.232 -0.436) 6.193 6.278 ( 0.057 -0.860 0.780) 1.163 7.456 ( -6.856 -0.073 -0.566) 6.880======================= Grid point 510 (192/288) =======================q-point: (-0.21 -0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.746 ( 4.607 -0.503 -0.630) 4.677 1.808 ( -1.687 0.973 0.930) 2.159 1.946 ( 0.007 -0.010 0.099) 0.099 2.345 ( -1.546 -1.612 -0.684) 2.336 3.564 ( 18.486 -0.719 -0.033) 18.500 3.900 ( -11.773 0.484 -0.196) 11.784 5.559 ( -0.197 -0.778 -0.327) 0.867 5.714 ( 2.597 -1.742 -1.339) 3.402 5.789 ( -2.799 4.426 2.281) 5.712 6.253 ( 0.587 0.315 -0.605) 0.900 6.288 ( 3.544 -1.309 0.358) 3.795 7.368 ( -3.228 0.792 0.129) 3.326======================= Grid point 511 (193/288) =======================q-point: (-0.14 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.722 ( -2.638 -4.570 -0.000) 5.277 1.848 ( 2.141 3.708 -0.000) 4.281 1.950 ( 0.177 0.306 -0.000) 0.354 2.314 ( -0.506 -0.876 -0.000) 1.012 3.564 ( -8.977 -15.548 -0.000) 17.953 3.891 ( 5.195 8.999 -0.000) 10.391 5.554 ( 0.132 0.228 0.000) 0.263 5.673 ( -1.957 -3.390 -0.000) 3.915 5.868 ( 3.263 5.651 0.000) 6.526 6.204 ( -2.813 -4.872 0.000) 5.626 6.320 ( 0.119 0.206 -0.000) 0.238 7.373 ( 1.569 2.717 -0.000) 3.138======================= Grid point 522 (194/288) =======================q-point: ( 0.57 0.57 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.413 ( 0.000 0.982 -0.504) 1.104 1.627 ( 0.000 3.163 -2.973) 4.341 1.959 ( -0.000 0.362 0.951) 1.018 2.446 ( 0.000 6.003 0.184) 6.005 2.511 ( -0.000 -4.481 2.959) 5.370 4.076 ( 0.000 8.467 -1.199) 8.551 5.216 ( 0.000 0.493 0.006) 0.493 5.614 ( 0.000 1.704 -1.189) 2.078 5.962 ( 0.000 3.237 -0.157) 3.241 6.119 ( -0.000 -4.512 1.472) 4.747 6.311 ( 0.000 -3.062 -1.158) 3.274 7.726 ( 0.000 -1.137 -1.925) 2.235======================= Grid point 523 (195/288) =======================q-point: ( 0.64 0.57 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.463 ( 4.391 0.807 -0.000) 4.464 1.691 ( 2.865 4.750 1.761) 5.820 1.960 ( -0.342 -0.127 0.828) 0.904 2.457 ( -1.115 -3.550 0.397) 3.742 2.594 ( 11.348 2.243 0.373) 11.573 4.132 ( -0.370 4.109 -1.408) 4.359 5.298 ( 8.525 0.616 0.157) 8.548 5.619 ( -1.466 1.979 0.417) 2.498 5.969 ( -1.898 1.572 -0.603) 2.537 6.075 ( 0.460 -4.181 -1.316) 4.407 6.293 ( -0.745 0.187 0.903) 1.185 7.677 ( -4.219 -0.188 -1.378) 4.443======================= Grid point 524 (196/288) =======================q-point: (-0.29 -0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.556 ( 5.799 -0.061 -0.493) 5.820 1.794 ( 2.212 3.656 3.864) 5.761 1.953 ( -0.389 -0.258 0.546) 0.719 2.399 ( -1.431 -2.936 -1.625) 3.648 2.872 ( 19.117 -0.089 0.364) 19.121 4.127 ( -2.414 0.136 -1.298) 2.745 5.478 ( 10.544 0.115 -0.629) 10.564 5.607 ( -1.731 1.182 1.143) 2.388 5.934 ( -3.386 1.275 0.646) 3.675 6.065 ( 3.233 -2.115 -1.859) 4.288 6.289 ( -0.978 1.135 1.286) 1.975 7.580 ( -6.844 0.866 -0.719) 6.936======================= Grid point 525 (197/288) =======================q-point: (-0.21 -0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.644 ( 5.465 -1.779 -0.868) 5.812 1.838 ( -0.498 0.815 2.870) 3.025 1.947 ( -0.170 -0.348 0.211) 0.441 2.353 ( -1.132 -0.665 -2.280) 2.632 3.194 ( 20.076 -5.392 0.131) 20.788 4.047 ( -5.411 -1.250 -0.752) 5.604 5.553 ( -0.286 -1.469 -0.700) 1.652 5.641 ( 4.481 -0.726 -0.487) 4.565 5.898 ( -3.567 3.294 3.344) 5.896 6.148 ( 7.799 -0.212 -1.696) 7.984 6.281 ( -1.704 0.556 0.787) 1.958 7.473 ( -6.689 1.947 0.125) 6.968======================= Grid point 537 (198/288) =======================q-point: (-0.36 -0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.435 ( -0.000 1.006 1.044) 1.450 1.736 ( -0.000 6.634 6.312) 9.157 1.962 ( -0.000 -0.514 0.782) 0.936 2.427 ( 0.000 -4.104 -1.534) 4.382 2.504 ( 0.000 -0.191 -0.125) 0.229 4.152 ( 0.000 0.267 -1.652) 1.674 5.228 ( -0.000 0.498 0.836) 0.973 5.656 ( -0.000 1.831 1.997) 2.710 5.988 ( 0.000 -0.414 -0.950) 1.037 6.029 ( 0.000 -2.218 -4.101) 4.663 6.318 ( -0.000 1.972 2.242) 2.985 7.711 ( 0.000 0.718 -1.302) 1.487======================= Grid point 538 (199/288) =======================q-point: (-0.29 -0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.477 ( 3.270 0.303 0.776) 3.374 1.829 ( 0.535 4.798 7.830) 9.199 1.956 ( -0.260 -0.466 0.619) 0.817 2.382 ( -0.541 -2.144 -3.371) 4.031 2.590 ( 11.758 -2.981 0.146) 12.131 4.126 ( -0.390 -3.900 -1.672) 4.261 5.308 ( 8.104 0.105 0.601) 8.127 5.657 ( -2.101 0.500 1.951) 2.910 5.970 ( -0.379 -1.424 -0.047) 1.474 6.014 ( 0.719 0.741 -3.638) 3.782 6.338 ( -1.380 3.038 2.095) 3.940 7.685 ( -4.020 1.835 -1.095) 4.553======================= Grid point 539 (200/288) =======================q-point: (-0.21 -0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.539 ( 4.260 -1.584 -0.300) 4.555 1.866 ( -0.873 -0.041 5.207) 5.280 1.946 ( -0.530 -1.073 0.087) 1.200 2.358 ( -0.385 1.025 -3.095) 3.283 2.811 ( 17.812 -6.058 0.497) 18.820 4.055 ( -0.922 -6.849 -1.304) 7.033 5.458 ( 8.700 -1.960 -0.672) 8.944 5.616 ( -2.250 -0.748 0.535) 2.431 5.950 ( 0.139 -2.119 1.756) 2.756 6.064 ( 2.941 4.539 -0.720) 5.456 6.343 ( -2.610 3.839 0.942) 4.737 7.612 ( -6.595 2.783 -0.490) 7.175======================= Grid point 552 (201/288) =======================q-point: (-0.29 -0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.458 ( -0.000 0.379 1.297) 1.352 1.887 ( -0.000 0.488 7.157) 7.174 1.964 ( -0.000 0.894 2.110) 2.291 2.372 ( 0.000 1.999 -3.454) 3.991 2.438 ( -0.000 -6.310 -0.144) 6.312 4.060 ( 0.000 -8.882 -1.874) 9.078 5.240 ( -0.000 -0.023 1.027) 1.027 5.682 ( -0.000 -0.642 1.280) 1.432 5.939 ( 0.000 -3.618 -1.126) 3.789 6.028 ( 0.000 4.386 -1.633) 4.680 6.395 ( -0.000 4.645 2.058) 5.081 7.740 ( 0.000 3.091 -1.463) 3.420======================= Grid point 553 (202/288) =======================q-point: (-0.21 -0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.476 ( 1.680 -1.030 0.276) 1.989 1.875 ( -0.319 -4.043 3.130) 5.123 1.953 ( -1.723 -1.746 0.919) 2.620 2.368 ( 0.259 -0.168 -1.474) 1.506 2.511 ( 10.854 -1.813 1.208) 11.071 3.950 ( 0.798 -13.324 -1.703) 13.456 5.298 ( 6.552 -1.754 0.271) 6.788 5.653 ( -2.267 -0.862 -0.308) 2.445 5.903 ( 0.705 -3.976 -0.696) 4.098 6.094 ( 1.295 6.676 2.023) 7.095 6.438 ( -1.937 6.379 1.064) 6.751 7.736 ( -4.058 4.087 -1.412) 5.930======================= Grid point 567 (203/288) =======================q-point: (-0.21 -0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.454 ( 0.000 -1.517 -0.357) 1.559 1.819 ( 0.000 -8.045 -0.921) 8.097 1.947 ( -0.000 -3.771 -0.140) 3.774 2.266 ( -0.000 -10.898 0.431) 10.906 2.513 ( -0.000 10.435 3.492) 11.004 3.774 ( 0.000 -19.297 -1.724) 19.374 5.224 ( -0.000 -2.528 0.290) 2.545 5.662 ( 0.000 -0.385 -1.608) 1.653 5.859 ( 0.000 -3.225 -0.390) 3.248 6.160 ( -0.000 7.366 4.035) 8.399 6.531 ( -0.000 8.491 0.695) 8.519 7.811 ( 0.000 5.152 -2.147) 5.582======================= Grid point 644 (204/288) =======================q-point: ( 0.21 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.594 ( -0.000 0.000 20.836) 20.836 0.594 ( -0.000 0.000 20.836) 20.836 1.079 ( -0.000 0.000 38.906) 38.906 1.631 ( 0.000 -0.000 -6.032) 6.032 1.631 ( 0.000 -0.000 -6.032) 6.032 3.285 ( 0.000 -0.000 -16.095) 16.095 4.793 ( -0.000 0.000 1.179) 1.179 4.793 ( -0.000 0.000 1.179) 1.179 6.037 ( 0.000 -0.000 -0.707) 0.707 6.037 ( 0.000 -0.000 -0.707) 0.707 7.572 ( -0.000 0.000 2.325) 2.325 8.049 ( 0.000 -0.000 -0.770) 0.770======================= Grid point 645 (205/288) =======================q-point: ( 0.29 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.631 ( 4.300 2.483 17.201) 17.904 0.819 ( 5.429 3.134 21.901) 22.780 1.416 ( 17.292 9.984 26.868) 33.475 1.665 ( 3.053 1.762 -5.228) 6.306 1.666 ( 7.466 4.311 -7.649) 11.525 2.967 ( -10.251 -5.918 -7.422) 13.971 4.824 ( 2.277 1.314 1.146) 2.868 5.546 ( 38.176 22.041 -23.476) 49.944 5.989 ( -3.860 -2.229 -0.980) 4.564 6.011 ( -2.097 -1.211 -0.704) 2.522 7.555 ( -3.118 -1.800 3.681) 5.149 7.973 ( -5.146 -2.971 -3.437) 6.864======================= Grid point 646 (206/288) =======================q-point: ( 0.36 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.842 ( 9.601 5.543 10.146) 15.029 0.980 ( 4.135 2.387 16.577) 17.251 1.696 ( 6.289 3.631 1.851) 7.494 1.742 ( 5.155 2.976 -4.057) 7.204 2.089 ( 25.100 14.492 5.057) 29.421 2.837 ( -0.071 -0.041 -7.397) 7.398 4.900 ( 4.158 2.401 0.933) 4.891 5.860 ( -6.190 -3.574 -1.382) 7.280 5.947 ( -3.193 -1.843 -0.655) 3.744 6.102 ( 17.355 10.020 -14.697) 24.851 7.429 ( -9.674 -5.585 7.879) 13.669 7.837 ( -4.709 -2.719 -9.086) 10.588======================= Grid point 647 (207/288) =======================q-point: ( 0.43 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.081 ( 8.945 5.164 4.691) 11.344 1.121 ( 5.548 3.203 7.138) 9.591 1.826 ( 5.007 2.891 -0.015) 5.782 1.880 ( 7.970 4.601 -2.408) 9.512 2.569 ( 13.036 7.526 -3.325) 15.416 2.964 ( 14.617 8.439 0.777) 16.896 5.011 ( 5.162 2.980 0.605) 5.991 5.707 ( -6.494 -3.749 -1.182) 7.591 5.877 ( -2.467 -1.425 -0.492) 2.891 6.323 ( 6.057 3.497 -7.686) 10.392 7.170 ( -14.967 -8.641 6.506) 18.466 7.725 ( -2.658 -1.535 -7.567) 8.166======================= Grid point 648 (208/288) =======================q-point: ( 0.50 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.259 ( 5.977 3.451 1.099) 6.989 1.283 ( 7.791 4.498 0.721) 9.026 1.918 ( 3.198 1.847 -0.239) 3.701 2.080 ( 9.770 5.641 -0.885) 11.317 2.695 ( 1.810 1.045 -3.509) 4.084 3.402 ( 19.658 11.350 2.537) 22.841 5.123 ( 4.344 2.508 0.101) 5.017 5.583 ( -3.780 -2.183 -0.743) 4.428 5.847 ( 0.094 0.054 -0.064) 0.126 6.368 ( 0.449 0.259 -5.078) 5.104 6.810 ( -17.456 -10.078 1.969) 20.252 7.675 ( -0.690 -0.398 -2.136) 2.279======================= Grid point 649 (209/288) =======================q-point: ( 0.57 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.365 ( 3.618 2.089 -0.683) 4.233 1.474 ( 9.351 5.399 -3.055) 11.221 1.971 ( 1.679 0.969 -0.683) 2.056 2.292 ( 8.579 4.953 -0.125) 9.907 2.666 ( -3.659 -2.113 -0.702) 4.283 3.791 ( 13.748 7.937 1.739) 15.970 5.198 ( 2.329 1.345 -0.553) 2.746 5.546 ( 0.830 0.479 -0.286) 1.001 5.881 ( 2.520 1.455 0.603) 2.971 6.348 ( -0.503 -0.290 -3.607) 3.654 6.426 ( -16.088 -9.288 -0.031) 18.577 7.667 ( -0.106 -0.061 0.904) 0.912======================= Grid point 650 (210/288) =======================q-point: ( 0.64 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.426 ( 2.150 1.241 -1.311) 2.808 1.681 ( 10.077 5.818 -6.261) 13.213 1.991 ( 0.336 0.194 -1.172) 1.234 2.447 ( 4.833 2.790 0.131) 5.582 2.538 ( -7.256 -4.189 1.383) 8.492 4.028 ( 6.881 3.973 1.836) 8.155 5.231 ( 1.067 0.616 -1.007) 1.591 5.610 ( 4.438 2.562 -0.750) 5.179 5.942 ( 2.164 1.249 1.108) 2.733 6.111 ( -11.391 -6.577 1.387) 13.227 6.338 ( 0.558 0.322 -2.583) 2.662 7.670 ( -0.031 -0.018 1.691) 1.691======================= Grid point 651 (211/288) =======================q-point: (-0.29 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.458 ( 1.084 0.626 -1.311) 1.813 1.881 ( 9.071 5.237 -9.068) 13.854 1.981 ( -0.898 -0.518 -1.222) 1.603 2.382 ( -6.170 -3.563 3.600) 7.983 2.501 ( -0.216 -0.125 0.170) 0.302 4.115 ( 0.253 0.146 2.149) 2.169 5.246 ( 0.563 0.325 -1.097) 1.275 5.701 ( 2.549 1.472 -2.754) 4.031 5.950 ( -2.484 -1.434 4.111) 5.012 5.967 ( -0.472 -0.272 1.243) 1.357 6.357 ( 1.690 0.976 -1.836) 2.680 7.681 ( 0.760 0.439 1.849) 2.046======================= Grid point 652 (212/288) =======================q-point: (-0.21 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.468 ( 0.058 0.033 -0.826) 0.829 1.930 ( -2.687 -1.551 -2.423) 3.936 1.993 ( 0.780 0.450 -3.917) 4.019 2.349 ( 3.874 2.237 1.249) 4.644 2.437 ( -5.379 -3.106 0.036) 6.211 4.042 ( -7.605 -4.391 2.063) 9.020 5.249 ( -0.172 -0.099 -0.849) 0.872 5.688 ( -1.832 -1.058 0.062) 2.116 5.929 ( -2.971 -1.716 0.997) 3.573 6.020 ( 6.022 3.477 0.036) 6.953 6.410 ( 3.749 2.164 -1.303) 4.520 7.723 ( 2.591 1.496 2.217) 3.724======================= Grid point 659 (213/288) =======================q-point: ( 0.29 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.763 ( -0.000 11.629 15.806) 19.623 0.925 ( -0.000 13.263 16.826) 21.425 1.437 ( -0.000 10.904 30.239) 32.145 1.564 ( 0.000 -0.451 -8.592) 8.604 1.726 ( 0.000 12.320 -5.208) 13.376 2.944 ( 0.000 -11.501 -9.618) 14.993 4.824 ( -0.000 2.560 1.143) 2.803 5.468 ( 0.000 40.804 -19.238) 45.112 5.996 ( 0.000 -3.269 -1.318) 3.525 6.005 ( 0.000 -2.659 -0.700) 2.750 7.562 ( -0.000 -4.016 3.600) 5.394 7.974 ( 0.000 -4.888 -3.481) 6.001======================= Grid point 660 (214/288) =======================q-point: ( 0.36 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.922 ( -0.313 15.084 10.109) 18.161 1.082 ( -1.972 9.834 18.191) 20.773 1.594 ( 6.015 1.086 -6.584) 8.984 1.698 ( 6.732 6.194 7.047) 11.548 1.959 ( 11.590 21.284 4.387) 24.629 2.814 ( -1.204 -2.655 -9.334) 9.778 4.881 ( 2.377 3.951 1.056) 4.730 5.860 ( 7.056 7.413 -7.645) 12.774 5.936 ( 0.395 2.252 -4.593) 5.131 5.976 ( 1.493 2.822 -5.036) 5.962 7.485 ( -3.589 -9.374 6.610) 12.019 7.875 ( -4.561 -2.346 -7.776) 9.316======================= Grid point 661 (215/288) =======================q-point: ( 0.43 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.106 ( 2.291 13.482 4.685) 14.455 1.172 ( -1.988 7.528 12.664) 14.866 1.731 ( 8.176 3.456 -2.400) 9.195 1.844 ( 4.048 7.196 -1.245) 8.350 2.418 ( 14.909 14.135 -0.073) 20.544 2.851 ( 7.717 7.127 -3.085) 10.948 4.983 ( 3.691 5.596 0.954) 6.771 5.765 ( -5.523 -5.045 -1.123) 7.564 5.894 ( -1.954 -2.783 -0.618) 3.457 6.208 ( 9.073 6.471 -8.723) 14.152 7.291 ( -8.839 -13.051 7.406) 17.416 7.753 ( -4.741 -0.343 -8.781) 9.985======================= Grid point 662 (216/288) =======================q-point: ( 0.50 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.261 ( 0.993 6.839 7.019) 9.850 1.273 ( 2.697 10.417 0.254) 10.763 1.872 ( 4.512 2.391 0.082) 5.107 2.018 ( 7.122 10.563 -1.609) 12.841 2.638 ( 5.092 2.643 -4.661) 7.392 3.215 ( 17.813 15.040 2.305) 23.427 5.110 ( 3.318 6.871 0.772) 7.669 5.626 ( -4.819 -3.687 -0.677) 6.105 5.846 ( -0.708 -1.316 -0.582) 1.604 6.316 ( 3.446 -0.165 -5.739) 6.697 6.982 ( -14.103 -12.795 3.432) 19.349 7.672 ( -1.624 -1.135 -3.782) 4.270======================= Grid point 663 (217/288) =======================q-point: ( 0.57 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.363 ( 1.220 5.828 2.805) 6.582 1.422 ( 4.637 8.814 -1.490) 10.070 1.943 ( 2.426 0.905 -0.416) 2.623 2.250 ( 6.583 11.946 -0.265) 13.643 2.678 ( 0.052 -0.639 -2.294) 2.382 3.643 ( 15.171 11.566 1.614) 19.145 5.218 ( 0.813 7.211 0.309) 7.264 5.545 ( -1.307 -1.412 -0.025) 1.924 5.851 ( 2.008 0.317 -0.147) 2.038 6.319 ( 0.911 -2.005 -4.855) 5.331 6.611 ( -16.059 -10.199 0.805) 19.041 7.645 ( 0.879 -2.624 0.300) 2.784======================= Grid point 664 (218/288) =======================q-point: ( 0.64 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.430 ( 0.328 4.579 0.247) 4.597 1.593 ( 6.429 8.023 -3.238) 10.779 1.975 ( 1.194 -0.028 -0.922) 1.509 2.441 ( 3.013 8.451 0.511) 8.987 2.623 ( -4.806 0.123 -0.788) 4.872 3.945 ( 9.410 6.431 1.619) 11.512 5.279 ( -1.777 7.153 -0.285) 7.376 5.558 ( 3.049 0.590 0.084) 3.107 5.906 ( 3.214 0.545 0.556) 3.307 6.255 ( -9.994 -5.984 -3.226) 12.087 6.323 ( -2.544 -1.900 0.327) 3.192 7.643 ( 1.743 -3.353 1.603) 4.105======================= Grid point 665 (219/288) =======================q-point: ( 0.71 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.468 ( -0.403 3.616 -0.613) 3.690 1.769 ( 7.279 6.405 -6.300) 11.562 1.978 ( 0.013 -0.660 -1.158) 1.333 2.443 ( -4.388 -4.223 2.080) 6.436 2.601 ( -4.488 10.894 -0.345) 11.787 4.099 ( 3.510 1.880 1.989) 4.451 5.305 ( -3.037 7.150 -0.607) 7.792 5.636 ( 4.585 0.489 -1.334) 4.800 5.950 ( 1.383 -0.876 1.442) 2.182 6.044 ( -7.234 -1.613 1.609) 7.585 6.321 ( 1.799 -0.556 -1.859) 2.645 7.648 ( 2.206 -3.140 1.640) 4.173======================= Grid point 666 (220/288) =======================q-point: (-0.21 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.484 ( -1.072 2.545 -0.767) 2.866 1.901 ( 4.387 1.726 -7.981) 9.269 1.963 ( -0.132 -0.507 -0.829) 0.981 2.350 ( -2.111 -1.634 3.608) 4.488 2.592 ( -8.538 8.959 -0.263) 12.378 4.109 ( -3.177 -2.140 2.009) 4.326 5.314 ( -3.739 6.640 -0.600) 7.644 5.673 ( 1.126 -2.339 -1.549) 3.023 5.970 ( -2.615 -0.538 0.509) 2.718 5.984 ( 2.416 2.466 2.523) 4.276 6.355 ( 3.339 0.001 -1.619) 3.711 7.673 ( 3.521 -2.339 1.613) 4.524======================= Grid point 674 (221/288) =======================q-point: ( 0.36 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.107 ( -0.000 14.219 8.185) 16.406 1.269 ( -0.000 11.258 12.091) 16.521 1.529 ( 0.000 3.987 -9.847) 10.624 1.727 ( -0.000 6.771 10.230) 12.268 2.100 ( -0.000 23.619 2.539) 23.755 2.775 ( 0.000 -0.110 -8.641) 8.641 4.906 ( -0.000 5.121 0.872) 5.195 5.848 ( 0.000 -0.289 -1.797) 1.820 5.933 ( 0.000 -4.017 -0.502) 4.048 5.990 ( 0.000 13.213 -10.677) 16.988 7.421 ( -0.000 -13.619 6.856) 15.248 7.875 ( 0.000 -0.855 -8.904) 8.945======================= Grid point 675 (222/288) =======================q-point: ( 0.43 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.240 ( -1.229 12.343 2.668) 12.688 1.344 ( -3.145 6.506 7.394) 10.339 1.646 ( 6.761 9.425 -2.458) 11.856 1.844 ( 3.517 5.833 1.764) 7.036 2.382 ( 6.786 16.515 -1.341) 17.905 2.825 ( 4.132 10.665 -2.238) 11.655 4.989 ( 2.881 6.411 0.802) 7.074 5.781 ( -2.949 -5.579 -1.151) 6.415 5.885 ( -0.867 -3.458 -0.394) 3.587 6.132 ( 5.008 8.052 -6.703) 11.613 7.265 ( -3.273 -16.516 6.782) 18.152 7.808 ( -4.126 0.400 -9.187) 10.078======================= Grid point 676 (223/288) =======================q-point: ( 0.50 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.330 ( 0.244 7.957 0.204) 7.963 1.391 ( -1.617 8.432 3.657) 9.332 1.833 ( 4.152 5.453 2.078) 7.162 2.005 ( 7.348 11.376 -1.924) 13.679 2.569 ( 4.928 4.492 -4.346) 7.960 3.131 ( 12.054 19.404 2.201) 22.949 5.127 ( 4.253 8.168 0.976) 9.260 5.662 ( -4.259 -4.480 -1.087) 6.276 5.840 ( -0.800 -2.132 -0.767) 2.402 6.236 ( 3.855 0.574 -3.990) 5.578 7.032 ( -7.141 -16.269 4.570) 18.345 7.704 ( -4.812 -0.496 -6.201) 7.865======================= Grid point 677 (224/288) =======================q-point: ( 0.57 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.425 ( 1.507 6.353 3.955) 7.634 1.465 ( 0.240 9.097 -2.025) 9.323 1.914 ( 2.060 1.507 0.565) 2.614 2.271 ( 7.338 14.838 -0.015) 16.554 2.648 ( 2.726 1.489 -2.498) 3.986 3.534 ( 13.055 15.526 1.263) 20.325 5.281 ( 2.725 9.523 1.097) 9.966 5.562 ( -2.850 -2.331 -0.349) 3.698 5.822 ( 0.865 -0.595 -1.057) 1.490 6.258 ( 1.793 -2.428 -3.558) 4.666 6.741 ( -11.096 -12.816 1.637) 17.031 7.616 ( -1.884 -3.031 -1.871) 4.030======================= Grid point 678 (225/288) =======================q-point: ( 0.64 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.497 ( -0.867 5.855 2.364) 6.374 1.586 ( 3.762 8.582 -1.809) 9.543 1.950 ( 1.370 0.164 -0.307) 1.414 2.477 ( 2.281 6.118 0.779) 6.576 2.704 ( 0.241 8.981 -1.422) 9.096 3.854 ( 9.991 8.712 0.959) 13.290 5.395 ( -0.829 9.741 0.865) 9.815 5.529 ( 0.408 -0.149 0.311) 0.534 5.852 ( 3.119 -0.067 -0.778) 3.216 6.243 ( 0.601 -2.679 -3.835) 4.717 6.444 ( -11.615 -7.195 0.975) 13.698 7.571 ( 1.351 -5.079 0.608) 5.290======================= Grid point 679 (226/288) =======================q-point: ( 0.71 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.535 ( -1.678 5.519 0.929) 5.843 1.726 ( 4.239 6.808 -2.828) 8.504 1.963 ( 0.598 -0.552 -0.725) 1.090 2.467 ( -2.674 -3.783 1.009) 4.741 2.821 ( -3.788 17.786 -0.681) 18.198 4.045 ( 5.873 2.468 1.414) 6.526 5.453 ( -3.563 9.655 0.544) 10.306 5.567 ( 3.373 0.297 -0.031) 3.386 5.903 ( 3.216 -1.087 -0.259) 3.405 6.153 ( -6.992 -2.541 -1.106) 7.521 6.296 ( -0.978 -0.740 -0.386) 1.286 7.560 ( 3.137 -5.600 1.138) 6.519======================= Grid point 680 (227/288) =======================q-point: (-0.21 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.552 ( -2.589 4.712 0.401) 5.392 1.834 ( 3.617 3.323 -4.973) 6.989 1.958 ( -0.068 -0.650 -0.684) 0.946 2.381 ( -2.818 -3.139 2.418) 4.862 2.876 ( -9.669 16.495 -0.486) 19.126 4.114 ( 1.237 -1.803 1.636) 2.731 5.473 ( -4.838 8.604 0.531) 9.885 5.617 ( 2.308 -1.126 -1.014) 2.761 5.941 ( 3.141 -0.805 -0.932) 3.374 6.047 ( -4.555 1.574 1.955) 5.201 6.301 ( 1.733 -0.443 -1.333) 2.230 7.573 ( 4.196 -5.105 0.946) 6.676======================= Grid point 689 (228/288) =======================q-point: ( 0.43 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.379 ( 0.000 10.560 0.183) 10.561 1.392 ( 0.000 0.716 -2.352) 2.458 1.716 ( 0.000 15.306 0.980) 15.337 1.864 ( -0.000 3.689 1.740) 4.078 2.460 ( 0.000 10.345 -3.460) 10.908 2.937 ( -0.000 20.238 2.016) 20.338 5.025 ( 0.000 6.339 0.258) 6.344 5.748 ( 0.000 -5.481 -1.762) 5.757 5.858 ( -0.000 -3.014 -0.038) 3.015 6.147 ( 0.000 5.259 -2.927) 6.018 7.137 ( -0.000 -18.429 5.521) 19.239 7.824 ( 0.000 0.603 -8.714) 8.735======================= Grid point 690 (229/288) =======================q-point: ( 0.50 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.384 ( 0.038 2.958 -3.026) 4.232 1.472 ( 0.546 7.043 -2.673) 7.553 1.865 ( 0.368 6.597 2.630) 7.111 1.974 ( 7.744 11.026 -1.233) 13.531 2.545 ( 2.097 4.611 -1.706) 5.345 3.210 ( 4.791 23.641 2.565) 24.258 5.125 ( 4.309 6.640 0.150) 7.917 5.671 ( -2.326 -4.455 -2.209) 5.490 5.831 ( -0.565 -1.381 -0.100) 1.495 6.190 ( 1.532 0.881 -0.408) 1.813 6.949 ( -2.260 -18.373 3.806) 18.899 7.766 ( -4.250 -0.047 -6.938) 8.136======================= Grid point 691 (230/288) =======================q-point: ( 0.57 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.443 ( 3.149 4.221 -0.080) 5.267 1.535 ( 0.468 6.493 -3.613) 7.445 1.912 ( 0.617 1.955 1.033) 2.296 2.267 ( 10.012 14.173 0.151) 17.353 2.612 ( 2.820 2.014 -0.278) 3.476 3.535 ( 7.137 19.374 1.139) 20.678 5.292 ( 6.422 7.559 0.422) 9.928 5.585 ( -2.648 -2.474 -1.621) 3.970 5.813 ( -0.653 0.239 -0.684) 0.975 6.206 ( 1.024 -1.734 -0.082) 2.016 6.733 ( -4.288 -15.868 1.908) 16.548 7.652 ( -5.695 -1.577 -4.071) 7.176======================= Grid point 692 (231/288) =======================q-point: ( 0.64 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.546 ( 2.577 4.130 2.207) 5.345 1.609 ( 2.137 7.340 -3.038) 8.227 1.937 ( 0.624 0.680 0.343) 0.985 2.484 ( 2.250 3.259 0.918) 4.066 2.748 ( 7.579 11.922 -0.356) 14.132 3.809 ( 6.473 11.603 0.315) 13.290 5.460 ( 3.493 6.881 0.683) 7.748 5.541 ( -0.431 0.931 -0.411) 1.105 5.813 ( 0.564 0.455 -1.227) 1.425 6.200 ( 0.804 -1.689 -0.843) 2.052 6.515 ( -6.116 -10.703 0.680) 12.346 7.538 ( -3.398 -3.601 -1.304) 5.119======================= Grid point 693 (232/288) =======================q-point: ( 0.71 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.612 ( -0.130 4.908 0.959) 5.003 1.722 ( 3.255 5.823 -1.044) 6.752 1.949 ( 0.425 -0.075 -0.122) 0.449 2.470 ( -1.822 -3.513 0.540) 3.994 3.018 ( 3.743 19.321 -0.207) 19.681 3.975 ( 4.740 2.789 0.471) 5.519 5.527 ( 1.705 1.696 0.412) 2.440 5.588 ( -1.055 6.569 0.749) 6.695 5.832 ( 2.479 -1.530 -1.297) 3.189 6.197 ( -0.483 0.224 -1.147) 1.264 6.343 ( -5.133 -3.648 0.316) 6.305 7.468 ( 0.507 -5.191 0.197) 5.220======================= Grid point 694 (233/288) =======================q-point: ( 0.79 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.648 ( -2.013 5.302 0.872) 5.739 1.807 ( 2.238 2.641 -1.906) 3.951 1.951 ( 0.133 -0.326 -0.344) 0.492 2.396 ( -2.297 -3.608 0.996) 4.392 3.200 ( -5.920 20.145 -0.302) 20.999 4.041 ( 4.028 -4.001 0.923) 5.752 5.567 ( 0.791 -0.167 0.032) 0.809 5.622 ( -1.753 6.284 1.129) 6.621 5.855 ( 3.719 -3.165 -1.661) 5.158 6.166 ( -4.627 3.920 0.929) 6.135 6.286 ( -0.594 -0.032 -1.072) 1.226 7.451 ( 3.427 -5.581 0.411) 6.562======================= Grid point 704 (234/288) =======================q-point: ( 0.50 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.381 ( 0.000 0.842 -3.893) 3.983 1.513 ( 0.000 5.653 -7.623) 9.490 1.912 ( 0.000 1.720 -0.450) 1.778 2.022 ( -0.000 14.346 1.587) 14.434 2.568 ( -0.000 2.926 1.815) 3.443 3.416 ( -0.000 23.824 1.883) 23.898 5.137 ( 0.000 4.647 -0.460) 4.670 5.641 ( 0.000 -3.525 -3.246) 4.792 5.834 ( -0.000 0.688 0.477) 0.838 6.188 ( -0.000 -0.026 2.570) 2.570 6.793 ( -0.000 -18.400 1.998) 18.509 7.784 ( 0.000 -0.315 -6.103) 6.111======================= Grid point 705 (235/288) =======================q-point: ( 0.57 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.410 ( 3.266 1.934 -1.968) 4.276 1.550 ( 1.669 4.373 -7.632) 8.953 1.927 ( 0.015 1.612 0.517) 1.693 2.235 ( 8.254 12.873 0.579) 15.303 2.598 ( 0.752 0.289 3.013) 3.119 3.659 ( 2.248 19.965 0.586) 20.100 5.230 ( 6.302 3.914 -0.459) 7.433 5.591 ( -1.465 -1.749 -3.004) 3.772 5.843 ( -1.012 2.510 0.258) 2.719 6.192 ( -0.182 -1.161 3.496) 3.688 6.615 ( -0.929 -16.379 0.325) 16.409 7.722 ( -4.505 -0.890 -4.453) 6.397======================= Grid point 706 (236/288) =======================q-point: ( 0.64 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.510 ( 5.361 2.500 0.390) 5.928 1.618 ( 3.055 5.167 -4.472) 7.486 1.942 ( -0.036 0.909 0.575) 1.076 2.475 ( 3.830 4.512 1.016) 6.004 2.677 ( 9.755 5.665 1.357) 11.362 3.866 ( 2.155 13.615 -0.263) 13.787 5.407 ( 9.062 4.142 -0.368) 9.971 5.550 ( -1.200 0.090 -1.859) 2.215 5.845 ( -2.044 2.923 -0.144) 3.569 6.182 ( -0.171 -1.496 2.719) 3.108 6.455 ( -1.117 -12.340 -0.385) 12.396 7.601 ( -6.624 -1.415 -2.550) 7.238======================= Grid point 707 (237/288) =======================q-point: ( 0.71 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.617 ( 4.093 2.530 -0.044) 4.812 1.720 ( 3.157 5.230 -0.666) 6.145 1.947 ( -0.075 0.236 0.244) 0.348 2.470 ( -1.853 -3.224 0.654) 3.775 3.016 ( 15.101 12.866 0.238) 19.840 3.979 ( -0.276 5.745 -0.387) 5.765 5.531 ( 0.298 2.272 -0.315) 2.313 5.595 ( 5.951 2.638 -0.636) 6.540 5.826 ( -2.589 1.140 -0.050) 2.829 6.188 ( 1.510 -0.099 0.866) 1.744 6.344 ( -0.846 -6.443 0.036) 6.498 7.473 ( -5.360 -2.048 -0.912) 5.810======================= Grid point 708 (238/288) =======================q-point: ( 0.79 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.700 ( 2.167 3.754 -0.000) 4.334 1.795 ( 1.131 1.960 -0.000) 2.263 1.947 ( -0.034 -0.059 -0.000) 0.068 2.398 ( -2.098 -3.634 -0.000) 4.196 3.378 ( 9.338 16.174 -0.000) 18.676 3.964 ( -2.136 -3.700 -0.000) 4.272 5.557 ( 0.635 1.101 -0.000) 1.271 5.685 ( 1.851 3.207 -0.000) 3.703 5.785 ( -1.243 -2.153 -0.000) 2.486 6.229 ( 1.194 2.068 -0.000) 2.388 6.301 ( -0.399 -0.692 -0.000) 0.799 7.387 ( -1.609 -2.787 -0.000) 3.218======================= Grid point 720 (239/288) =======================q-point: ( 0.57 0.57 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.386 ( 0.000 1.431 -1.991) 2.451 1.545 ( 0.000 3.700 -7.637) 8.486 1.945 ( -0.000 1.406 0.899) 1.669 2.279 ( 0.000 10.925 0.699) 10.948 2.596 ( -0.000 -2.158 4.079) 4.615 3.825 ( 0.000 16.842 -0.445) 16.848 5.195 ( 0.000 1.822 -0.392) 1.864 5.586 ( 0.000 -0.010 -2.964) 2.964 5.886 ( 0.000 3.865 0.258) 3.874 6.196 ( -0.000 -1.659 5.165) 5.425 6.468 ( 0.000 -13.909 -1.721) 14.015 7.741 ( 0.000 -0.948 -3.721) 3.840======================= Grid point 721 (240/288) =======================q-point: ( 0.64 0.57 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.439 ( 4.554 1.604 -0.576) 4.862 1.595 ( 3.062 4.842 -3.541) 6.735 1.957 ( -0.292 0.818 1.007) 1.330 2.444 ( 6.366 7.358 0.241) 9.733 2.587 ( 2.757 -2.691 2.949) 4.851 3.971 ( 0.555 11.963 -1.138) 12.030 5.278 ( 7.732 1.548 -0.224) 7.889 5.575 ( -1.234 1.639 -1.786) 2.720 5.912 ( -1.538 3.725 -0.129) 4.032 6.179 ( -0.501 -3.969 4.229) 5.821 6.350 ( -0.072 -8.271 -2.029) 8.517 7.683 ( -4.435 -0.811 -2.616) 5.213======================= Grid point 722 (241/288) =======================q-point: ( 0.71 0.57 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.543 ( 5.842 1.134 -0.697) 5.992 1.709 ( 4.004 5.540 0.767) 6.878 1.957 ( -0.528 0.183 0.718) 0.909 2.470 ( -1.781 -3.591 0.326) 4.021 2.815 ( 17.520 5.805 0.625) 18.468 4.058 ( -1.077 6.553 -1.243) 6.756 5.459 ( 10.571 1.690 -0.623) 10.723 5.569 ( -1.428 2.393 -0.394) 2.815 5.901 ( -3.228 2.333 0.041) 3.983 6.142 ( 1.404 -5.144 1.372) 5.506 6.295 ( -0.091 -2.509 -0.131) 2.514 7.572 ( -6.855 -0.286 -1.450) 7.013======================= Grid point 736 (242/288) =======================q-point: ( 0.64 0.64 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.412 ( -0.000 1.634 0.176) 1.643 1.616 ( -0.000 6.441 0.515) 6.461 1.969 ( -0.000 0.298 1.201) 1.237 2.447 ( 0.000 5.834 0.094) 5.835 2.533 ( -0.000 -5.814 1.791) 6.084 4.062 ( 0.000 8.273 -1.754) 8.457 5.218 ( -0.000 0.776 0.436) 0.891 5.607 ( 0.000 2.988 -0.470) 3.024 5.959 ( 0.000 2.965 -0.602) 3.026 6.126 ( -0.000 -7.997 0.088) 7.998 6.308 ( -0.000 -1.023 0.441) 1.114 7.707 ( 0.000 -0.563 -2.215) 2.285======================= Grid point 738 (243/288) =======================q-point: (-0.29 -0.36 -0.79)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.464 ( 3.932 1.144 0.279) 4.104 1.720 ( 2.557 7.473 4.442) 9.062 1.968 ( -0.446 -0.256 1.058) 1.176 2.456 ( -1.282 -4.798 -0.791) 5.028 2.598 ( 11.452 1.851 0.415) 11.608 4.117 ( -0.255 4.069 -1.874) 4.487 5.300 ( 8.152 0.813 0.414) 8.203 5.625 ( -1.604 3.152 1.018) 3.680 5.961 ( -1.734 1.293 -1.060) 2.409 6.060 ( 1.278 -5.937 -1.883) 6.358 6.305 ( -1.043 1.034 1.641) 2.202 7.663 ( -4.052 0.165 -1.646) 4.377======================= Grid point 753 (244/288) =======================q-point: (-0.29 -0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.446 ( -0.000 1.253 1.306) 1.810 1.802 ( -0.000 9.011 8.303) 12.253 1.970 ( -0.000 -0.762 1.038) 1.287 2.409 ( 0.000 -5.837 -2.529) 6.361 2.502 ( 0.000 -0.244 -0.163) 0.293 4.135 ( 0.000 0.313 -2.101) 2.124 5.236 ( -0.000 0.634 1.067) 1.241 5.677 ( -0.000 2.534 2.604) 3.633 5.978 ( 0.000 -0.529 -1.211) 1.322 5.989 ( 0.000 -2.678 -4.494) 5.231 6.339 ( -0.000 2.144 2.203) 3.074 7.697 ( 0.000 0.887 -1.726) 1.941======================= Grid point 860 (245/288) =======================q-point: ( 0.29 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.775 ( -0.000 0.000 19.398) 19.398 0.775 ( -0.000 0.000 19.398) 19.398 1.421 ( -0.000 0.000 37.400) 37.400 1.568 ( 0.000 -0.000 -7.971) 7.971 1.568 ( 0.000 -0.000 -7.971) 7.971 3.120 ( 0.000 -0.000 -20.474) 20.474 4.804 ( -0.000 0.000 1.189) 1.189 4.804 ( -0.000 0.000 1.189) 1.189 6.031 ( 0.000 -0.000 -0.717) 0.717 6.031 ( 0.000 -0.000 -0.717) 0.717 7.593 ( -0.000 0.000 2.363) 2.363 8.042 ( 0.000 -0.000 -0.834) 0.834======================= Grid point 861 (246/288) =======================q-point: ( 0.36 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.789 ( 2.085 1.204 17.830) 17.992 1.009 ( 6.330 3.655 20.208) 21.489 1.567 ( 4.018 2.320 -6.826) 8.254 1.610 ( 3.704 2.138 -7.091) 8.281 1.682 ( 14.259 8.233 24.667) 29.657 2.873 ( -8.685 -5.014 -13.520) 16.833 4.834 ( 2.220 1.282 1.038) 2.765 5.380 ( 35.116 20.274 -14.161) 42.950 5.981 ( -4.036 -2.330 -0.859) 4.739 6.005 ( -2.089 -1.206 -0.708) 2.514 7.587 ( -1.762 -1.017 3.205) 3.796 7.946 ( -7.238 -4.179 -2.582) 8.747======================= Grid point 862 (247/288) =======================q-point: ( 0.43 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.946 ( 6.833 3.945 12.666) 14.923 1.135 ( 0.722 0.417 17.299) 17.319 1.682 ( 7.004 4.044 -4.160) 9.095 1.698 ( 6.013 3.472 -5.668) 8.964 2.157 ( 20.831 12.027 9.564) 25.886 2.760 ( 2.167 1.251 -9.540) 9.862 4.908 ( 4.075 2.353 0.812) 4.775 5.849 ( -5.637 -3.254 -1.023) 6.589 5.941 ( -3.164 -1.827 -0.682) 3.716 5.983 ( 19.576 11.302 -11.553) 25.386 7.500 ( -8.652 -4.995 7.932) 12.757 7.759 ( -6.042 -3.488 -8.432) 10.944======================= Grid point 863 (248/288) =======================q-point: ( 0.50 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.135 ( 6.673 3.853 7.054) 10.447 1.199 ( 2.207 1.274 9.691) 10.020 1.821 ( 5.408 3.122 -0.834) 6.300 1.853 ( 8.927 5.154 -3.473) 10.877 2.539 ( 10.145 5.857 -3.518) 12.231 2.968 ( 17.707 10.223 0.212) 20.448 5.016 ( 5.038 2.909 0.611) 5.850 5.700 ( -6.408 -3.699 -0.299) 7.405 5.872 ( -2.366 -1.366 -0.595) 2.796 6.255 ( 7.371 4.256 -7.311) 11.220 7.219 ( -16.702 -9.643 4.152) 19.728 7.671 ( -0.671 -0.387 -4.100) 4.172======================= Grid point 864 (249/288) =======================q-point: ( 0.57 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.276 ( 4.568 2.637 2.746) 5.946 1.308 ( 5.476 3.162 4.811) 7.945 1.914 ( 3.123 1.803 -0.582) 3.652 2.069 ( 10.382 5.994 -1.446) 12.075 2.661 ( 2.862 1.652 -3.858) 5.080 3.420 ( 19.499 11.258 1.583) 22.571 5.125 ( 4.102 2.368 0.297) 4.746 5.581 ( -3.681 -2.125 0.507) 4.281 5.846 ( 0.344 0.198 -0.268) 0.479 6.318 ( 1.026 0.592 -5.829) 5.948 6.821 ( -18.292 -10.561 0.580) 21.130 7.670 ( 0.451 0.260 0.919) 1.056======================= Grid point 865 (250/288) =======================q-point: ( 0.64 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.364 ( 2.930 1.692 0.336) 3.400 1.464 ( 7.318 4.225 0.820) 8.490 1.964 ( 1.548 0.894 -1.016) 2.056 2.289 ( 8.834 5.100 -0.400) 10.209 2.654 ( -2.710 -1.564 -2.078) 3.756 3.806 ( 13.781 7.957 1.555) 15.989 5.194 ( 2.045 1.181 -0.265) 2.376 5.549 ( 0.691 0.399 0.913) 1.212 5.885 ( 2.820 1.628 0.364) 3.276 6.301 ( -0.956 -0.552 -6.026) 6.126 6.436 ( -14.846 -8.571 1.744) 17.231 7.682 ( 0.081 0.047 2.393) 2.395======================= Grid point 866 (251/288) =======================q-point: ( 0.71 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.416 ( 1.879 1.085 -0.826) 2.322 1.635 ( 8.150 4.705 -3.767) 10.137 1.980 ( 0.253 0.146 -1.277) 1.310 2.448 ( 4.923 2.842 0.018) 5.685 2.543 ( -6.166 -3.560 -0.306) 7.126 4.045 ( 7.005 4.045 1.978) 8.327 5.223 ( 0.900 0.519 -0.792) 1.307 5.606 ( 3.634 2.098 -0.186) 4.200 5.952 ( 2.341 1.351 0.941) 2.862 6.122 ( -9.705 -5.603 0.898) 11.242 6.318 ( 0.379 0.219 -1.800) 1.852 7.687 ( -0.150 -0.086 2.151) 2.158======================= Grid point 875 (252/288) =======================q-point: ( 0.36 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.912 ( -0.000 8.173 17.214) 19.056 1.071 ( -0.000 11.719 15.413) 19.362 1.479 ( 0.000 -0.981 -10.354) 10.401 1.625 ( 0.000 6.596 -0.623) 6.626 1.749 ( -0.000 12.479 22.629) 25.842 2.831 ( 0.000 -9.121 -15.376) 17.878 4.834 ( -0.000 2.499 1.040) 2.707 5.334 ( 0.000 37.691 -11.152) 39.306 5.985 ( 0.000 -3.921 -1.099) 4.072 6.000 ( 0.000 -2.624 -0.573) 2.686 7.592 ( -0.000 -2.473 3.091) 3.959 7.946 ( 0.000 -7.510 -2.687) 7.977======================= Grid point 876 (253/288) =======================q-point: ( 0.43 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.024 ( -1.291 10.800 12.398) 16.493 1.237 ( -1.173 7.043 16.012) 17.532 1.519 ( 8.486 1.973 -9.119) 12.612 1.711 ( 1.829 8.339 -3.809) 9.349 2.049 ( 11.352 15.510 14.440) 24.041 2.718 ( -0.009 -0.503 -11.995) 12.006 4.889 ( 2.349 3.934 0.847) 4.660 5.778 ( 14.024 20.717 -8.829) 26.529 5.905 ( -3.010 -3.148 -2.152) 4.858 5.957 ( -1.366 -2.827 -0.931) 3.275 7.543 ( -2.442 -7.733 6.466) 10.372 7.809 ( -5.762 -4.886 -7.127) 10.386======================= Grid point 877 (254/288) =======================q-point: ( 0.50 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.157 ( 1.563 9.028 6.608) 11.297 1.279 ( -3.136 5.148 10.453) 12.066 1.711 ( 9.700 5.562 -1.549) 11.288 1.822 ( 3.433 7.760 -3.557) 9.201 2.418 ( 11.145 9.586 0.015) 14.700 2.824 ( 11.024 11.149 -2.763) 15.921 4.991 ( 3.633 5.688 0.739) 6.789 5.758 ( -5.375 -5.157 -0.395) 7.459 5.889 ( -2.020 -2.791 -0.588) 3.495 6.138 ( 9.781 8.270 -6.744) 14.476 7.352 ( -10.082 -14.025 5.891) 18.250 7.683 ( -3.037 0.278 -6.482) 7.163======================= Grid point 878 (255/288) =======================q-point: ( 0.57 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.284 ( 2.613 7.285 2.369) 8.094 1.330 ( -0.605 5.937 7.625) 9.683 1.874 ( 3.928 2.747 0.448) 4.814 1.999 ( 7.911 11.474 -2.363) 14.136 2.598 ( 5.388 3.105 -4.136) 7.468 3.231 ( 17.916 15.185 1.095) 23.511 5.117 ( 3.134 7.028 0.696) 7.727 5.625 ( -4.523 -3.793 0.433) 5.919 5.840 ( -0.562 -1.406 -0.633) 1.641 6.266 ( 3.410 0.686 -5.253) 6.300 7.002 ( -15.477 -13.070 1.080) 20.286 7.653 ( 0.429 -1.048 -0.289) 1.169======================= Grid point 879 (256/288) =======================q-point: ( 0.64 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.383 ( -0.010 6.204 1.409) 6.361 1.432 ( 3.857 6.377 3.996) 8.457 1.938 ( 2.073 0.993 -0.607) 2.378 2.246 ( 6.811 12.533 -0.558) 14.275 2.655 ( 0.628 0.006 -2.935) 3.002 3.655 ( 15.280 11.467 1.007) 19.131 5.222 ( 0.427 7.364 0.439) 7.389 5.550 ( -1.162 -1.576 1.252) 2.324 5.849 ( 2.407 0.230 -0.297) 2.436 6.274 ( 0.678 -1.555 -5.180) 5.451 6.616 ( -15.906 -9.965 0.320) 18.772 7.657 ( 1.650 -2.948 2.280) 4.076======================= Grid point 880 (257/288) =======================q-point: ( 0.71 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.434 ( -0.548 4.837 0.545) 4.899 1.579 ( 4.736 6.786 0.040) 8.276 1.966 ( 1.000 0.059 -1.063) 1.460 2.444 ( 3.118 9.061 0.122) 9.583 2.610 ( -4.176 0.332 -2.003) 4.643 3.959 ( 9.695 6.406 1.521) 11.720 5.277 ( -2.192 7.350 -0.035) 7.670 5.563 ( 2.631 0.249 0.987) 2.821 5.910 ( 3.657 0.487 0.353) 3.707 6.218 ( -5.295 -3.864 -4.423) 7.907 6.333 ( -6.179 -3.401 1.696) 7.254 7.660 ( 1.795 -3.747 2.321) 4.759======================= Grid point 890 (258/288) =======================q-point: ( 0.43 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.189 ( -0.000 9.778 9.858) 13.885 1.362 ( -0.000 4.262 5.670) 7.093 1.445 ( 0.000 9.688 -5.987) 11.389 1.764 ( 0.000 7.342 -1.862) 7.574 2.160 ( -0.000 17.351 10.461) 20.261 2.692 ( 0.000 4.219 -9.426) 10.327 4.913 ( -0.000 4.964 0.642) 5.005 5.834 ( 0.000 6.322 -1.144) 6.425 5.912 ( 0.000 9.247 -6.819) 11.489 5.930 ( -0.000 -3.920 -0.253) 3.928 7.484 ( -0.000 -13.072 7.113) 14.882 7.796 ( 0.000 -2.342 -8.709) 9.018======================= Grid point 891 (259/288) =======================q-point: ( 0.50 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.264 ( -2.015 7.807 2.130) 8.340 1.381 ( -0.017 2.703 0.729) 2.800 1.646 ( 7.097 12.802 2.856) 14.913 1.837 ( 1.866 5.993 -3.226) 7.057 2.382 ( 5.223 11.359 1.240) 12.563 2.807 ( 5.320 15.843 -1.541) 16.783 4.995 ( 3.025 6.280 0.465) 6.986 5.772 ( -2.885 -6.043 -1.018) 6.773 5.882 ( -1.035 -3.431 -0.200) 3.589 6.086 ( 4.996 10.522 -3.488) 12.159 7.325 ( -3.498 -17.580 6.346) 19.015 7.729 ( -3.506 0.896 -8.262) 9.020======================= Grid point 892 (260/288) =======================q-point: ( 0.57 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.327 ( 1.355 6.837 -0.429) 6.983 1.422 ( -0.409 4.846 2.522) 5.478 1.856 ( 2.867 4.987 2.758) 6.379 1.982 ( 8.191 13.127 -2.757) 15.717 2.539 ( 4.467 5.085 -2.190) 7.114 3.146 ( 11.889 19.827 1.111) 23.145 5.134 ( 4.443 8.145 0.533) 9.293 5.655 ( -3.774 -4.825 -0.542) 6.150 5.834 ( -1.008 -2.198 -0.501) 2.469 6.208 ( 3.073 1.954 -2.148) 4.228 7.066 ( -8.286 -16.928 2.778) 19.050 7.659 ( -2.847 -0.245 -3.698) 4.673======================= Grid point 893 (261/288) =======================q-point: ( 0.64 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.442 ( 2.960 8.084 -0.214) 8.611 1.472 ( -0.087 4.797 3.313) 5.830 1.918 ( 1.485 1.467 0.271) 2.105 2.270 ( 7.574 15.615 -0.210) 17.356 2.628 ( 2.554 2.429 -1.910) 4.009 3.541 ( 12.963 15.373 0.486) 20.115 5.289 ( 2.771 9.600 0.691) 10.016 5.563 ( -2.307 -2.641 0.550) 3.549 5.814 ( 0.901 -0.793 -0.685) 1.382 6.230 ( 0.860 -1.471 -2.659) 3.159 6.749 ( -11.776 -12.752 0.274) 17.360 7.609 ( -0.261 -3.522 0.380) 3.552======================= Grid point 894 (262/288) =======================q-point: ( 0.71 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.510 ( -1.153 5.900 0.528) 6.034 1.587 ( 3.531 7.144 2.027) 8.222 1.947 ( 1.029 0.304 -0.476) 1.174 2.480 ( 2.236 6.136 -0.082) 6.531 2.691 ( 0.229 9.961 -1.570) 10.086 3.861 ( 10.315 8.610 0.674) 13.453 5.402 ( -1.022 9.916 0.680) 9.992 5.536 ( 0.534 -0.503 1.224) 1.427 5.847 ( 3.493 -0.350 -0.436) 3.537 6.210 ( -0.226 -1.771 -3.412) 3.851 6.451 ( -11.010 -7.149 0.595) 13.141 7.582 ( 1.928 -5.698 1.756) 6.266======================= Grid point 906 (263/288) =======================q-point: ( 0.50 0.50 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.349 ( 0.000 0.837 -6.605) 6.657 1.375 ( 0.000 6.417 -1.374) 6.562 1.739 ( -0.000 14.883 3.811) 15.364 1.859 ( 0.000 3.792 -2.539) 4.563 2.450 ( -0.000 9.244 0.999) 9.297 2.952 ( 0.000 22.459 1.445) 22.505 5.026 ( 0.000 6.078 -0.017) 6.078 5.731 ( 0.000 -6.158 -2.057) 6.493 5.859 ( -0.000 -2.845 0.230) 2.854 6.135 ( 0.000 7.325 0.407) 7.336 7.185 ( -0.000 -19.782 5.090) 20.426 7.749 ( 0.000 1.447 -7.954) 8.085======================= Grid point 907 (264/288) =======================q-point: ( 0.57 0.50 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.350 ( 1.262 3.481 -4.225) 5.618 1.442 ( 2.070 4.097 -4.317) 6.301 1.882 ( 0.459 3.885 0.823) 3.998 1.967 ( 7.475 13.726 0.027) 15.629 2.544 ( 1.431 5.860 1.331) 6.177 3.228 ( 4.528 23.464 1.418) 23.939 5.125 ( 4.530 6.410 -0.197) 7.851 5.651 ( -1.858 -4.993 -2.143) 5.743 5.832 ( -0.854 -1.259 0.223) 1.538 6.197 ( 0.752 2.226 2.010) 3.092 6.980 ( -2.486 -19.659 3.034) 20.046 7.708 ( -3.470 0.753 -5.743) 6.752======================= Grid point 908 (265/288) =======================q-point: ( 0.64 0.50 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.441 ( 4.713 5.205 -0.197) 7.024 1.503 ( 1.842 4.261 -3.496) 5.812 1.918 ( 0.585 1.754 0.297) 1.873 2.268 ( 10.065 14.549 0.158) 17.692 2.615 ( 1.876 3.048 1.000) 3.716 3.542 ( 6.908 19.022 0.347) 20.241 5.293 ( 6.763 7.356 -0.158) 9.994 5.572 ( -1.877 -2.902 -1.244) 3.673 5.810 ( -1.025 0.293 0.026) 1.066 6.212 ( -0.285 -0.702 1.410) 1.601 6.746 ( -4.664 -16.530 0.999) 17.204 7.622 ( -4.375 -1.435 -2.524) 5.250======================= Grid point 909 (266/288) =======================q-point: ( 0.71 0.50 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.560 ( 1.973 3.418 -0.000) 3.947 1.592 ( 4.170 7.223 -0.000) 8.341 1.939 ( 0.418 0.724 -0.000) 0.836 2.488 ( 2.038 3.530 -0.000) 4.076 2.746 ( 7.145 12.376 -0.000) 14.291 3.811 ( 6.590 11.415 -0.000) 13.181 5.464 ( 3.810 6.599 -0.000) 7.620 5.539 ( 0.370 0.642 -0.000) 0.741 5.807 ( 0.273 0.472 -0.000) 0.546 6.196 ( -0.466 -0.807 -0.000) 0.931 6.518 ( -6.219 -10.771 -0.000) 12.438 7.532 ( -2.315 -4.010 -0.000) 4.630======================= Grid point 922 (267/288) =======================q-point: ( 0.57 0.57 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.344 ( 0.000 1.947 -4.333) 4.750 1.439 ( 0.000 4.274 -8.573) 9.579 1.908 ( 0.000 2.542 -0.165) 2.547 2.038 ( -0.000 13.652 1.891) 13.783 2.593 ( -0.000 3.951 3.406) 5.216 3.428 ( 0.000 23.140 0.747) 23.152 5.132 ( 0.000 4.529 -0.497) 4.556 5.613 ( 0.000 -3.846 -2.876) 4.803 5.838 ( -0.000 0.721 0.498) 0.876 6.221 ( -0.000 0.874 4.479) 4.564 6.810 ( -0.000 -19.955 1.611) 20.020 7.731 ( 0.000 0.643 -5.371) 5.410======================= Grid point 923 (268/288) =======================q-point: ( 0.64 0.57 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.394 ( 4.401 2.797 -1.451) 5.413 1.484 ( 2.827 4.612 -6.916) 8.780 1.932 ( 0.014 1.939 0.599) 2.029 2.241 ( 7.859 12.612 0.663) 14.875 2.627 ( 0.144 0.777 3.257) 3.351 3.660 ( 2.224 19.340 -0.241) 19.469 5.226 ( 6.328 3.910 -0.496) 7.455 5.567 ( -1.080 -1.780 -2.367) 3.152 5.846 ( -1.125 2.419 0.342) 2.689 6.229 ( -0.955 -0.521 4.682) 4.806 6.617 ( -0.746 -17.785 0.093) 17.801 7.685 ( -4.012 -0.193 -3.728) 5.480======================= Grid point 939 (269/288) =======================q-point: (-0.36 -0.36 -0.71)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.371 ( 0.000 2.404 -1.292) 2.730 1.489 ( 0.000 5.872 -4.664) 7.499 1.954 ( -0.000 1.625 1.093) 1.959 2.285 ( 0.000 10.559 0.603) 10.576 2.629 ( -0.000 -2.420 3.264) 4.064 3.818 ( 0.000 16.259 -1.107) 16.297 5.193 ( 0.000 2.054 -0.070) 2.056 5.563 ( 0.000 0.457 -2.072) 2.122 5.887 ( 0.000 3.594 -0.059) 3.595 6.247 ( -0.000 -1.556 5.996) 6.195 6.452 ( 0.000 -15.399 -1.829) 15.507 7.709 ( 0.000 -0.216 -3.356) 3.363======================= Grid point 1078 (270/288) =======================q-point: ( 0.36 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.941 ( -0.000 0.000 17.430) 17.430 0.941 ( -0.000 0.000 17.430) 17.430 1.489 ( 0.000 -0.000 -9.652) 9.652 1.489 ( 0.000 -0.000 -9.652) 9.652 1.747 ( -0.000 0.000 35.063) 35.063 2.920 ( 0.000 -0.000 -23.882) 23.882 4.814 ( -0.000 0.000 0.961) 0.961 4.814 ( -0.000 0.000 0.961) 0.961 6.025 ( 0.000 -0.000 -0.582) 0.582 6.025 ( 0.000 -0.000 -0.582) 0.582 7.613 ( -0.000 0.000 1.932) 1.932 8.035 ( 0.000 -0.000 -0.725) 0.725======================= Grid point 1079 (271/288) =======================q-point: ( 0.43 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.947 ( 1.007 0.582 17.194) 17.234 1.180 ( 7.748 4.473 17.825) 19.944 1.472 ( 4.491 2.593 -12.274) 13.325 1.538 ( 4.372 2.524 -8.868) 10.204 1.925 ( 7.780 4.492 26.986) 28.442 2.729 ( -5.932 -3.425 -18.075) 19.330 4.842 ( 2.167 1.251 0.720) 2.603 5.284 ( 31.729 18.319 -7.577) 37.412 5.974 ( -4.126 -2.382 -0.568) 4.798 5.999 ( -2.102 -1.213 -0.566) 2.492 7.612 ( -0.710 -0.410 2.345) 2.485 7.926 ( -8.755 -5.055 -1.766) 10.263======================= Grid point 1080 (272/288) =======================q-point: ( 0.50 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.065 ( 4.604 2.658 13.700) 14.695 1.273 ( -1.586 -0.915 12.201) 12.337 1.641 ( 7.051 4.071 -7.210) 10.876 1.641 ( 10.065 5.811 -3.602) 12.167 2.246 ( 14.028 8.099 9.389) 18.722 2.670 ( 5.868 3.388 -10.015) 12.091 4.915 ( 4.048 2.337 0.527) 4.703 5.843 ( -3.457 -1.996 -0.288) 4.002 5.898 ( 18.612 10.745 -7.466) 22.751 5.935 ( -3.175 -1.833 -0.571) 3.710 7.571 ( -7.799 -4.503 7.981) 12.033 7.686 ( -7.000 -4.041 -7.886) 11.293======================= Grid point 1081 (273/288) =======================q-point: ( 0.57 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.205 ( 4.396 2.538 8.361) 9.782 1.284 ( 0.739 0.426 8.801) 8.843 1.817 ( 5.665 3.271 0.391) 6.553 1.818 ( 10.108 5.836 -4.289) 12.435 2.506 ( 8.202 4.735 -3.871) 10.231 2.968 ( 19.633 11.335 -0.293) 22.672 5.021 ( 5.013 2.894 0.499) 5.810 5.702 ( -6.191 -3.574 0.778) 7.191 5.867 ( -2.328 -1.344 -0.581) 2.750 6.195 ( 7.853 4.534 -5.823) 10.776 7.239 ( -18.111 -10.456 0.188) 20.913 7.657 ( 1.156 0.667 0.969) 1.649======================= Grid point 1082 (274/288) =======================q-point: ( 0.64 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.306 ( 3.053 1.762 3.904) 5.260 1.365 ( 3.915 2.260 7.654) 8.890 1.909 ( 2.841 1.640 -0.385) 3.303 2.055 ( 11.094 6.405 -1.812) 12.938 2.626 ( 3.436 1.984 -3.940) 5.591 3.429 ( 19.645 11.342 0.453) 22.689 5.128 ( 3.951 2.281 0.438) 4.583 5.592 ( -3.531 -2.039 1.829) 4.469 5.842 ( 0.533 0.308 -0.423) 0.747 6.266 ( 1.115 0.644 -5.596) 5.742 6.820 ( -18.175 -10.493 -0.731) 21.000 7.690 ( 0.864 0.499 3.585) 3.721======================= Grid point 1094 (275/288) =======================q-point: ( 0.43 0.43 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.067 ( -0.000 6.454 17.052) 18.232 1.197 ( -0.000 10.495 11.836) 15.819 1.383 ( 0.000 -1.514 -10.230) 10.341 1.559 ( 0.000 9.754 -10.179) 14.098 1.993 ( -0.000 5.341 26.999) 27.522 2.675 ( 0.000 -5.683 -18.897) 19.733 4.842 ( -0.000 2.457 0.727) 2.562 5.260 ( 0.000 34.840 -5.486) 35.269 5.977 ( 0.000 -4.344 -0.776) 4.413 5.995 ( 0.000 -2.573 -0.329) 2.594 7.616 ( -0.000 -1.129 2.130) 2.411 7.926 ( 0.000 -9.584 -1.805) 9.752======================= Grid point 1095 (276/288) =======================q-point: ( 0.50 0.43 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.137 ( -1.960 6.997 12.175) 14.178 1.345 ( -1.582 1.577 4.143) 4.707 1.456 ( 11.524 6.556 -0.991) 13.295 1.652 ( 2.405 11.009 -8.239) 13.959 2.186 ( 6.818 8.723 14.513) 18.254 2.606 ( 1.951 3.254 -12.058) 12.641 4.895 ( 2.312 3.929 0.470) 4.583 5.717 ( 14.808 24.041 -4.705) 28.625 5.892 ( -3.547 -5.187 -0.908) 6.350 5.951 ( -1.633 -3.127 -0.397) 3.550 7.599 ( -0.808 -4.773 5.735) 7.505 7.749 ( -7.334 -8.548 -6.022) 12.772======================= Grid point 1096 (277/288) =======================q-point: ( 0.57 0.43 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.219 ( 1.298 4.624 6.655) 8.208 1.348 ( -1.542 3.523 4.741) 6.105 1.708 ( 9.627 8.693 0.140) 12.972 1.788 ( 4.042 7.222 -2.860) 8.757 2.414 ( 7.401 6.581 -1.079) 9.962 2.805 ( 13.433 14.180 -1.500) 19.590 4.996 ( 3.660 5.750 0.385) 6.827 5.758 ( -5.034 -5.333 0.356) 7.342 5.884 ( -2.144 -2.792 -0.408) 3.544 6.090 ( 9.556 9.475 -3.812) 13.987 7.387 ( -12.623 -14.608 1.398) 19.357 7.646 ( 0.136 0.532 -1.106) 1.234======================= Grid point 1097 (278/288) =======================q-point: ( 0.64 0.43 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.313 ( 2.371 4.795 3.872) 6.603 1.394 ( 0.114 4.573 6.411) 7.876 1.880 ( 2.793 2.495 0.833) 3.837 1.978 ( 8.887 12.742 -2.202) 15.690 2.565 ( 5.156 3.675 -3.191) 7.090 3.235 ( 18.010 15.394 -0.169) 23.693 5.122 ( 3.122 7.118 0.495) 7.789 5.634 ( -4.044 -3.933 1.486) 5.833 5.835 ( -0.536 -1.441 -0.508) 1.619 6.225 ( 2.749 1.370 -3.962) 5.013 7.001 ( -16.108 -12.728 -1.343) 20.573 7.667 ( 1.885 -1.633 3.213) 4.067======================= Grid point 1110 (279/288) =======================q-point: ( 0.50 0.50 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.276 ( -0.000 4.801 8.803) 10.027 1.305 ( 0.000 1.214 -12.123) 12.183 1.488 ( -0.000 11.923 9.308) 15.126 1.713 ( 0.000 10.253 -8.139) 13.091 2.261 ( -0.000 9.485 10.020) 13.797 2.616 ( 0.000 10.061 -6.615) 12.041 4.917 ( 0.000 4.818 0.282) 4.826 5.830 ( 0.000 16.261 0.483) 16.269 5.867 ( 0.000 0.791 -3.361) 3.453 5.929 ( -0.000 -3.815 0.048) 3.815 7.549 ( -0.000 -12.420 7.323) 14.418 7.719 ( 0.000 -3.856 -8.417) 9.258======================= Grid point 1111 (280/288) =======================q-point: ( 0.57 0.50 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.264 ( -0.647 3.379 -2.722) 4.387 1.373 ( 2.744 2.468 -1.633) 4.036 1.686 ( 6.052 12.988 4.820) 15.118 1.797 ( 1.931 6.907 -4.372) 8.399 2.399 ( 3.098 8.445 2.096) 9.236 2.799 ( 5.949 19.053 -0.202) 19.961 4.998 ( 3.119 6.148 0.043) 6.894 5.763 ( -2.542 -6.618 -0.832) 7.138 5.882 ( -1.219 -3.363 0.100) 3.579 6.071 ( 4.415 12.292 0.248) 13.063 7.373 ( -4.522 -18.728 4.065) 19.691 7.666 ( -1.993 1.417 -5.227) 5.771======================= Grid point 1112 (281/288) =======================q-point: ( 0.64 0.50 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.325 ( 3.041 5.268 -0.000) 6.083 1.433 ( 1.754 3.038 -0.000) 3.508 1.871 ( 1.833 3.175 -0.000) 3.666 1.966 ( 8.922 15.453 -0.000) 17.843 2.530 ( 3.356 5.813 -0.000) 6.712 3.151 ( 11.611 20.110 -0.000) 23.221 5.136 ( 4.651 8.055 -0.000) 9.301 5.653 ( -3.044 -5.272 -0.000) 6.088 5.831 ( -1.234 -2.138 -0.000) 2.468 6.198 ( 1.758 3.044 -0.000) 3.515 7.079 ( -9.651 -16.715 -0.000) 19.301 7.641 ( -0.561 -0.971 -0.000) 1.121======================= Grid point 1126 (282/288) =======================q-point: ( 0.57 0.57 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.281 ( 0.000 2.675 -8.367) 8.784 1.348 ( 0.000 2.425 -5.028) 5.582 1.778 ( -0.000 13.282 4.604) 14.058 1.832 ( 0.000 5.492 -2.734) 6.135 2.472 ( -0.000 8.723 3.450) 9.380 2.963 ( 0.000 23.325 0.846) 23.340 5.025 ( 0.000 5.881 -0.287) 5.888 5.713 ( 0.000 -6.741 -1.697) 6.951 5.862 ( -0.000 -2.728 0.451) 2.765 6.153 ( -0.000 8.654 3.457) 9.319 7.224 ( -0.000 -20.897 3.348) 21.164 7.687 ( 0.000 1.931 -5.482) 5.812======================= Grid point 1300 (283/288) =======================q-point: ( 0.43 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.083 ( -0.000 0.000 13.920) 13.920 1.083 ( -0.000 0.000 13.920) 13.920 1.398 ( 0.000 -0.000 -9.982) 9.982 1.398 ( 0.000 -0.000 -9.982) 9.982 2.043 ( -0.000 0.000 29.946) 29.946 2.699 ( 0.000 -0.000 -24.390) 24.390 4.820 ( -0.000 0.000 0.537) 0.537 4.820 ( -0.000 0.000 0.537) 0.537 6.021 ( 0.000 -0.000 -0.326) 0.326 6.021 ( 0.000 -0.000 -0.326) 0.326 7.627 ( -0.000 0.000 1.090) 1.090 8.030 ( 0.000 -0.000 -0.427) 0.427======================= Grid point 1301 (284/288) =======================q-point: ( 0.50 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.095 ( 0.845 0.488 15.587) 15.618 1.327 ( 11.305 6.527 13.601) 18.852 1.354 ( 1.836 1.060 -12.605) 12.782 1.451 ( 4.868 2.811 -10.303) 11.737 2.147 ( 2.931 1.692 20.551) 20.827 2.563 ( -2.784 -1.607 -17.172) 17.470 4.846 ( 2.129 1.229 0.254) 2.471 5.238 ( 29.566 17.070 -2.813) 34.255 5.971 ( -4.120 -2.379 -0.143) 4.760 5.995 ( -2.133 -1.232 -0.307) 2.482 7.627 ( -0.098 -0.057 0.981) 0.987 7.915 ( -9.573 -5.527 -0.674) 11.075======================= Grid point 1302 (285/288) =======================q-point: ( 0.57 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.188 ( 2.835 1.637 13.586) 13.975 1.327 ( -0.568 -0.328 -0.939) 1.146 1.569 ( 8.363 4.828 -8.613) 12.939 1.645 ( 11.150 6.438 5.170) 13.875 2.304 ( 7.300 4.215 1.682) 8.595 2.600 ( 10.313 5.954 -4.034) 12.573 4.918 ( 4.082 2.357 0.136) 4.716 5.843 ( 16.499 9.526 -0.919) 19.074 5.852 ( -1.175 -0.679 -1.533) 2.047 5.931 ( -3.225 -1.862 -0.344) 3.739 7.614 ( -12.160 -7.021 -6.950) 15.667 7.645 ( -2.443 -1.410 7.554) 8.064======================= Grid point 1316 (286/288) =======================q-point: ( 0.50 0.50 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.216 ( -0.000 5.956 15.957) 17.032 1.217 ( 0.000 3.540 -9.901) 10.515 1.362 ( -0.000 4.033 7.997) 8.956 1.455 ( 0.000 9.825 -12.829) 16.159 2.195 ( -0.000 1.467 13.981) 14.058 2.519 ( 0.000 -2.082 -11.634) 11.819 4.846 ( -0.000 2.442 0.265) 2.456 5.231 ( 0.000 33.539 -1.193) 33.560 5.972 ( 0.000 -4.620 -0.337) 4.632 5.994 ( -0.000 -2.515 -0.014) 2.515 7.628 ( -0.000 -0.221 0.672) 0.708 7.915 ( -0.000 -10.880 -0.632) 10.898======================= Grid point 1317 (287/288) =======================q-point: ( 0.57 0.50 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.212 ( 0.964 1.669 -0.000) 1.927 1.322 ( 1.637 2.835 0.000) 3.274 1.492 ( 4.455 7.717 -0.000) 8.911 1.595 ( 6.776 11.737 -0.000) 13.553 2.266 ( 2.867 4.966 -0.000) 5.735 2.538 ( 3.878 6.718 -0.000) 7.757 4.897 ( 2.275 3.940 -0.000) 4.550 5.695 ( 14.435 25.002 -0.000) 28.870 5.888 ( -3.338 -5.781 -0.000) 6.675 5.949 ( -1.788 -3.097 -0.000) 3.576 7.632 ( 0.237 0.410 -0.000) 0.474 7.714 ( -8.143 -14.105 0.000) 16.287======================= Grid point 1527 (288/288) =======================q-point: (-0.50 -0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.161 ( -0.000 0.000 0.000) 0.000 1.161 ( -0.000 0.000 0.000) 0.000 1.339 ( 0.000 -0.000 -0.000) 0.000 1.339 ( 0.000 -0.000 -0.000) 0.000 2.218 ( -0.000 0.000 0.000) 0.000 2.549 ( 0.000 -0.000 -0.000) 0.000 4.823 ( -0.000 0.000 0.000) 0.000 4.823 ( -0.000 0.000 0.000) 0.000 6.019 ( -0.000 0.000 0.000) 0.000 6.019 ( -0.000 0.000 0.000) 0.000 7.632 ( -0.000 0.000 0.000) 0.000 8.028 ( -0.000 0.000 0.000) 0.000=================== End of collection of collisions ===================----------- Thermal conductivity (W/m-k) with tetrahedron method -----------# T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/32928 10.0 320.995 320.995 465.305 0.000 -0.000 -0.000 3/32928 20.0 76.093 76.093 78.470 0.000 -0.000 -0.000 3/32928 30.0 42.878 42.878 37.735 0.000 -0.000 -0.000 3/32928 40.0 29.510 29.510 23.914 0.000 -0.000 -0.000 3/32928 50.0 21.951 21.951 17.072 0.000 -0.000 -0.000 3/32928 60.0 17.194 17.194 13.087 0.000 -0.000 -0.000 3/32928 70.0 14.019 14.019 10.539 0.000 -0.000 -0.000 3/32928 80.0 11.796 11.796 8.798 0.000 -0.000 -0.000 3/32928 90.0 10.172 10.172 7.546 0.000 -0.000 -0.000 3/32928 100.0 8.942 8.942 6.607 0.000 -0.000 -0.000 3/32928 110.0 7.980 7.980 5.878 0.000 -0.000 -0.000 3/32928 120.0 7.209 7.209 5.297 0.000 -0.000 -0.000 3/32928 130.0 6.577 6.577 4.823 0.000 -0.000 -0.000 3/32928 140.0 6.050 6.050 4.430 0.000 -0.000 -0.000 3/32928 150.0 5.603 5.603 4.097 0.000 -0.000 -0.000 3/32928 160.0 5.220 5.220 3.812 0.000 -0.000 -0.000 3/32928 170.0 4.887 4.887 3.565 0.000 -0.000 -0.000 3/32928 180.0 4.594 4.594 3.349 0.000 -0.000 -0.000 3/32928 190.0 4.336 4.336 3.158 0.000 -0.000 -0.000 3/32928 200.0 4.106 4.106 2.989 0.000 -0.000 -0.000 3/32928 210.0 3.899 3.899 2.837 0.000 -0.000 -0.000 3/32928 220.0 3.713 3.713 2.700 0.000 -0.000 -0.000 3/32928 230.0 3.544 3.544 2.576 0.000 -0.000 -0.000 3/32928 240.0 3.390 3.390 2.463 0.000 -0.000 -0.000 3/32928 250.0 3.249 3.249 2.360 0.000 -0.000 -0.000 3/32928 260.0 3.120 3.120 2.265 0.000 -0.000 -0.000 3/32928 270.0 3.000 3.000 2.178 0.000 -0.000 -0.000 3/32928 280.0 2.890 2.890 2.097 0.000 -0.000 -0.000 3/32928 290.0 2.787 2.787 2.022 0.000 -0.000 -0.000 3/32928 300.0 2.692 2.692 1.952 0.000 -0.000 -0.000 3/32928 310.0 2.603 2.603 1.888 0.000 -0.000 -0.000 3/32928 320.0 2.520 2.520 1.827 0.000 -0.000 -0.000 3/32928 330.0 2.442 2.442 1.770 0.000 -0.000 -0.000 3/32928 340.0 2.368 2.368 1.717 0.000 -0.000 -0.000 3/32928 350.0 2.299 2.299 1.666 0.000 -0.000 -0.000 3/32928 360.0 2.234 2.234 1.619 0.000 -0.000 -0.000 3/32928 370.0 2.173 2.173 1.574 0.000 -0.000 -0.000 3/32928 380.0 2.115 2.115 1.532 0.000 -0.000 -0.000 3/32928 390.0 2.060 2.060 1.492 0.000 -0.000 -0.000 3/32928 400.0 2.008 2.008 1.454 0.000 -0.000 -0.000 3/32928 410.0 1.958 1.958 1.418 0.000 -0.000 -0.000 3/32928 420.0 1.911 1.911 1.384 0.000 -0.000 -0.000 3/32928 430.0 1.866 1.866 1.351 0.000 -0.000 -0.000 3/32928 440.0 1.823 1.823 1.320 0.000 -0.000 -0.000 3/32928 450.0 1.782 1.782 1.290 0.000 -0.000 -0.000 3/32928 460.0 1.743 1.743 1.262 0.000 -0.000 -0.000 3/32928 470.0 1.705 1.705 1.234 0.000 -0.000 -0.000 3/32928 480.0 1.669 1.669 1.208 0.000 -0.000 -0.000 3/32928 490.0 1.635 1.635 1.183 0.000 -0.000 -0.000 3/32928 500.0 1.602 1.602 1.159 0.000 -0.000 -0.000 3/32928 510.0 1.570 1.570 1.136 0.000 -0.000 -0.000 3/32928 520.0 1.540 1.540 1.114 0.000 -0.000 -0.000 3/32928 530.0 1.511 1.511 1.093 0.000 -0.000 -0.000 3/32928 540.0 1.482 1.482 1.073 0.000 -0.000 -0.000 3/32928 550.0 1.455 1.455 1.053 0.000 -0.000 -0.000 3/32928 560.0 1.429 1.429 1.034 0.000 -0.000 -0.000 3/32928 570.0 1.404 1.404 1.016 0.000 -0.000 -0.000 3/32928 580.0 1.380 1.380 0.998 0.000 -0.000 -0.000 3/32928 590.0 1.356 1.356 0.981 0.000 -0.000 -0.000 3/32928 600.0 1.333 1.333 0.965 0.000 -0.000 -0.000 3/32928 610.0 1.311 1.311 0.949 0.000 -0.000 -0.000 3/32928 620.0 1.290 1.290 0.933 0.000 -0.000 -0.000 3/32928 630.0 1.269 1.269 0.918 0.000 -0.000 -0.000 3/32928 640.0 1.250 1.250 0.904 0.000 -0.000 -0.000 3/32928 650.0 1.230 1.230 0.890 0.000 -0.000 -0.000 3/32928 660.0 1.211 1.211 0.876 0.000 -0.000 -0.000 3/32928 670.0 1.193 1.193 0.863 0.000 -0.000 -0.000 3/32928 680.0 1.176 1.176 0.850 0.000 -0.000 -0.000 3/32928 690.0 1.159 1.159 0.838 0.000 -0.000 -0.000 3/32928 700.0 1.142 1.142 0.826 0.000 -0.000 -0.000 3/32928 710.0 1.126 1.126 0.814 0.000 -0.000 -0.000 3/32928 720.0 1.110 1.110 0.803 0.000 -0.000 -0.000 3/32928 730.0 1.095 1.095 0.792 0.000 -0.000 -0.000 3/32928 740.0 1.080 1.080 0.781 0.000 -0.000 -0.000 3/32928 750.0 1.066 1.066 0.771 0.000 -0.000 -0.000 3/32928 760.0 1.051 1.051 0.760 0.000 -0.000 -0.000 3/32928 770.0 1.038 1.038 0.750 0.000 -0.000 -0.000 3/32928 780.0 1.024 1.024 0.741 0.000 -0.000 -0.000 3/32928 790.0 1.011 1.011 0.731 0.000 -0.000 -0.000 3/32928 800.0 0.999 0.999 0.722 0.000 -0.000 -0.000 3/32928 810.0 0.986 0.986 0.713 0.000 -0.000 -0.000 3/32928 820.0 0.974 0.974 0.705 0.000 -0.000 -0.000 3/32928 830.0 0.963 0.963 0.696 0.000 -0.000 -0.000 3/32928 840.0 0.951 0.951 0.688 0.000 -0.000 -0.000 3/32928 850.0 0.940 0.940 0.680 0.000 -0.000 -0.000 3/32928 860.0 0.929 0.929 0.672 0.000 -0.000 -0.000 3/32928 870.0 0.918 0.918 0.664 0.000 -0.000 -0.000 3/32928 880.0 0.908 0.908 0.656 0.000 -0.000 -0.000 3/32928 890.0 0.898 0.898 0.649 0.000 -0.000 -0.000 3/32928 900.0 0.888 0.888 0.642 0.000 -0.000 -0.000 3/32928 910.0 0.878 0.878 0.635 0.000 -0.000 -0.000 3/32928 920.0 0.868 0.868 0.628 0.000 -0.000 -0.000 3/32928 930.0 0.859 0.859 0.621 0.000 -0.000 -0.000 3/32928 940.0 0.850 0.850 0.614 0.000 -0.000 -0.000 3/32928 950.0 0.841 0.841 0.608 0.000 -0.000 -0.000 3/32928 960.0 0.832 0.832 0.601 0.000 -0.000 -0.000 3/32928 970.0 0.823 0.823 0.595 0.000 -0.000 -0.000 3/32928 980.0 0.815 0.815 0.589 0.000 -0.000 -0.000 3/32928 990.0 0.807 0.807 0.583 0.000 -0.000 -0.000 3/32928 1000.0 0.799 0.799 0.577 0.000 -0.000 -0.000 3/32928Thermal conductivity related properties were written into "kappa-m141414.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 23:12:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|