# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/e9620ec4-4345-4d56-b400-3f671a7c915c/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 KSmS2 / R-3m (166) / materials id 15783](https://mdr.nims.go.jp/datasets/1cd75714-62c9-47f2-84b7-5d25f55af1f4) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 01:41:04]-------------------------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 2.044628160929665 1.180466619105429 7.298929519999992 b -2.044628160929661 1.180466619105429 7.298929519999992 c 0.000000000000002 -2.360933238210862 7.298929519999992Atomic positions (fractional): *1 S 0.73516571739674 0.73516571739674 0.73516571739674 32.065 2 S 0.26483428260326 0.26483428260326 0.26483428260326 32.065 *3 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 *4 Sm 0.00000000000000 0.00000000000000 0.00000000000000 150.360-------------------------------- unit cell ---------------------------------Lattice vectors: a 4.089256321859327 0.000000000000000 0.000000000000000 b -2.044628160929664 3.541399857316291 0.000000000000000 c 0.000000000000000 0.000000000000000 21.896788559999997Atomic positions (fractional): *1 S 0.66666666666667 0.33333333333333 0.06849905073008 32.065 > 1 2 S 0.00000000000000 0.00000000000000 0.26483428260326 32.065 > 2 3 S 0.33333333333333 0.66666666666667 0.40183238406341 32.065 > 1 4 S 0.66666666666667 0.33333333333333 0.59816761593659 32.065 > 2 5 S 0.00000000000000 0.00000000000000 0.73516571739674 32.065 > 1 6 S 0.33333333333333 0.66666666666667 0.93150094926992 32.065 > 2 *7 K 0.33333333333333 0.66666666666667 0.16666666666667 39.098 > 3 8 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 3 9 K 0.66666666666667 0.33333333333333 0.83333333333333 39.098 > 3 *10 Sm 0.00000000000000 0.00000000000000 0.00000000000000 150.360 > 4 11 Sm 0.66666666666667 0.33333333333333 0.33333333333333 150.360 > 4 12 Sm 0.33333333333333 0.66666666666667 0.66666666666667 150.360 > 4-------------------------------- super cell --------------------------------Lattice vectors: a 12.267768965577982 0.000000000000000 0.000000000000000 b -6.133884482788993 10.624199571948873 0.000000000000000 c 0.000000000000000 0.000000000000000 21.896788559999997Atomic positions (fractional): *1 S 0.22222222222222 0.11111111111111 0.06849905073008 32.065 > 1 2 S 0.55555555555556 0.11111111111111 0.06849905073008 32.065 > 1 3 S 0.88888888888889 0.11111111111111 0.06849905073008 32.065 > 1 4 S 0.22222222222222 0.44444444444444 0.06849905073008 32.065 > 1 5 S 0.55555555555556 0.44444444444444 0.06849905073008 32.065 > 1 6 S 0.88888888888889 0.44444444444444 0.06849905073008 32.065 > 1 7 S 0.22222222222222 0.77777777777778 0.06849905073008 32.065 > 1 8 S 0.55555555555556 0.77777777777778 0.06849905073008 32.065 > 1 9 S 0.88888888888889 0.77777777777778 0.06849905073008 32.065 > 1 10 S 0.00000000000000 0.00000000000000 0.26483428260326 32.065 > 2 11 S 0.33333333333333 0.00000000000000 0.26483428260326 32.065 > 2 12 S 0.66666666666667 0.00000000000000 0.26483428260326 32.065 > 2 13 S 0.00000000000000 0.33333333333333 0.26483428260326 32.065 > 2 14 S 0.33333333333333 0.33333333333333 0.26483428260326 32.065 > 2 15 S 0.66666666666667 0.33333333333333 0.26483428260326 32.065 > 2 16 S 0.00000000000000 0.66666666666667 0.26483428260326 32.065 > 2 17 S 0.33333333333333 0.66666666666667 0.26483428260326 32.065 > 2 18 S 0.66666666666667 0.66666666666667 0.26483428260326 32.065 > 2 19 S 0.11111111111111 0.22222222222222 0.40183238406341 32.065 > 1 20 S 0.44444444444444 0.22222222222222 0.40183238406341 32.065 > 1 21 S 0.77777777777778 0.22222222222222 0.40183238406341 32.065 > 1 22 S 0.11111111111111 0.55555555555556 0.40183238406341 32.065 > 1 23 S 0.44444444444444 0.55555555555556 0.40183238406341 32.065 > 1 24 S 0.77777777777778 0.55555555555556 0.40183238406341 32.065 > 1 25 S 0.11111111111111 0.88888888888889 0.40183238406341 32.065 > 1 26 S 0.44444444444444 0.88888888888889 0.40183238406341 32.065 > 1 27 S 0.77777777777778 0.88888888888889 0.40183238406341 32.065 > 1 28 S 0.22222222222222 0.11111111111111 0.59816761593659 32.065 > 2 29 S 0.55555555555556 0.11111111111111 0.59816761593659 32.065 > 2 30 S 0.88888888888889 0.11111111111111 0.59816761593659 32.065 > 2 31 S 0.22222222222222 0.44444444444444 0.59816761593659 32.065 > 2 32 S 0.55555555555556 0.44444444444444 0.59816761593659 32.065 > 2 33 S 0.88888888888889 0.44444444444444 0.59816761593659 32.065 > 2 34 S 0.22222222222222 0.77777777777778 0.59816761593659 32.065 > 2 35 S 0.55555555555556 0.77777777777778 0.59816761593659 32.065 > 2 36 S 0.88888888888889 0.77777777777778 0.59816761593659 32.065 > 2 37 S 0.00000000000000 0.00000000000000 0.73516571739674 32.065 > 1 38 S 0.33333333333333 0.00000000000000 0.73516571739674 32.065 > 1 39 S 0.66666666666667 0.00000000000000 0.73516571739674 32.065 > 1 40 S 0.00000000000000 0.33333333333333 0.73516571739674 32.065 > 1 41 S 0.33333333333333 0.33333333333333 0.73516571739674 32.065 > 1 42 S 0.66666666666667 0.33333333333333 0.73516571739674 32.065 > 1 43 S 0.00000000000000 0.66666666666667 0.73516571739674 32.065 > 1 44 S 0.33333333333333 0.66666666666667 0.73516571739674 32.065 > 1 45 S 0.66666666666667 0.66666666666667 0.73516571739674 32.065 > 1 46 S 0.11111111111111 0.22222222222222 0.93150094926992 32.065 > 2 47 S 0.44444444444444 0.22222222222222 0.93150094926992 32.065 > 2 48 S 0.77777777777778 0.22222222222222 0.93150094926992 32.065 > 2 49 S 0.11111111111111 0.55555555555556 0.93150094926992 32.065 > 2 50 S 0.44444444444444 0.55555555555556 0.93150094926992 32.065 > 2 51 S 0.77777777777778 0.55555555555556 0.93150094926992 32.065 > 2 52 S 0.11111111111111 0.88888888888889 0.93150094926992 32.065 > 2 53 S 0.44444444444444 0.88888888888889 0.93150094926992 32.065 > 2 54 S 0.77777777777778 0.88888888888889 0.93150094926992 32.065 > 2 *55 K 0.11111111111111 0.22222222222222 0.16666666666667 39.098 > 3 56 K 0.44444444444444 0.22222222222222 0.16666666666667 39.098 > 3 57 K 0.77777777777778 0.22222222222222 0.16666666666667 39.098 > 3 58 K 0.11111111111111 0.55555555555556 0.16666666666667 39.098 > 3 59 K 0.44444444444444 0.55555555555556 0.16666666666667 39.098 > 3 60 K 0.77777777777778 0.55555555555556 0.16666666666667 39.098 > 3 61 K 0.11111111111111 0.88888888888889 0.16666666666667 39.098 > 3 62 K 0.44444444444444 0.88888888888889 0.16666666666667 39.098 > 3 63 K 0.77777777777778 0.88888888888889 0.16666666666667 39.098 > 3 64 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 3 65 K 0.33333333333333 0.00000000000000 0.50000000000000 39.098 > 3 66 K 0.66666666666667 0.00000000000000 0.50000000000000 39.098 > 3 67 K 0.00000000000000 0.33333333333333 0.50000000000000 39.098 > 3 68 K 0.33333333333333 0.33333333333333 0.50000000000000 39.098 > 3 69 K 0.66666666666667 0.33333333333333 0.50000000000000 39.098 > 3 70 K 0.00000000000000 0.66666666666667 0.50000000000000 39.098 > 3 71 K 0.33333333333333 0.66666666666667 0.50000000000000 39.098 > 3 72 K 0.66666666666667 0.66666666666667 0.50000000000000 39.098 > 3 73 K 0.22222222222222 0.11111111111111 0.83333333333333 39.098 > 3 74 K 0.55555555555556 0.11111111111111 0.83333333333333 39.098 > 3 75 K 0.88888888888889 0.11111111111111 0.83333333333333 39.098 > 3 76 K 0.22222222222222 0.44444444444444 0.83333333333333 39.098 > 3 77 K 0.55555555555556 0.44444444444444 0.83333333333333 39.098 > 3 78 K 0.88888888888889 0.44444444444444 0.83333333333333 39.098 > 3 79 K 0.22222222222222 0.77777777777778 0.83333333333333 39.098 > 3 80 K 0.55555555555556 0.77777777777778 0.83333333333333 39.098 > 3 81 K 0.88888888888889 0.77777777777778 0.83333333333333 39.098 > 3 *82 Sm 0.00000000000000 0.00000000000000 0.00000000000000 150.360 > 4 83 Sm 0.33333333333333 0.00000000000000 0.00000000000000 150.360 > 4 84 Sm 0.66666666666667 0.00000000000000 0.00000000000000 150.360 > 4 85 Sm 0.00000000000000 0.33333333333333 0.00000000000000 150.360 > 4 86 Sm 0.33333333333333 0.33333333333333 0.00000000000000 150.360 > 4 87 Sm 0.66666666666667 0.33333333333333 0.00000000000000 150.360 > 4 88 Sm 0.00000000000000 0.66666666666667 0.00000000000000 150.360 > 4 89 Sm 0.33333333333333 0.66666666666667 0.00000000000000 150.360 > 4 90 Sm 0.66666666666667 0.66666666666667 0.00000000000000 150.360 > 4 91 Sm 0.22222222222222 0.11111111111111 0.33333333333333 150.360 > 4 92 Sm 0.55555555555556 0.11111111111111 0.33333333333333 150.360 > 4 93 Sm 0.88888888888889 0.11111111111111 0.33333333333333 150.360 > 4 94 Sm 0.22222222222222 0.44444444444444 0.33333333333333 150.360 > 4 95 Sm 0.55555555555556 0.44444444444444 0.33333333333333 150.360 > 4 96 Sm 0.88888888888889 0.44444444444444 0.33333333333333 150.360 > 4 97 Sm 0.22222222222222 0.77777777777778 0.33333333333333 150.360 > 4 98 Sm 0.55555555555556 0.77777777777778 0.33333333333333 150.360 > 4 99 Sm 0.88888888888889 0.77777777777778 0.33333333333333 150.360 > 4 100 Sm 0.11111111111111 0.22222222222222 0.66666666666667 150.360 > 4 101 Sm 0.44444444444444 0.22222222222222 0.66666666666667 150.360 > 4 102 Sm 0.77777777777778 0.22222222222222 0.66666666666667 150.360 > 4 103 Sm 0.11111111111111 0.55555555555556 0.66666666666667 150.360 > 4 104 Sm 0.44444444444444 0.55555555555556 0.66666666666667 150.360 > 4 105 Sm 0.77777777777778 0.55555555555556 0.66666666666667 150.360 > 4 106 Sm 0.11111111111111 0.88888888888889 0.66666666666667 150.360 > 4 107 Sm 0.44444444444444 0.88888888888889 0.66666666666667 150.360 > 4 108 Sm 0.77777777777778 0.88888888888889 0.66666666666667 150.360 > 4----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 5.7415142 0.0000000 0.0000000 0.0000000 5.7415142 0.0000000 0.0000000 0.0000000 4.1246212-------------------------- Born effective charges -------------------------- 1 S -2.8054306 -0.0000000 0.0000000 0.0000000 -2.8054306 0.0000000 0.0000000 0.0000000 -1.8197604 2 S -2.8054306 -0.0000000 0.0000000 0.0000000 -2.8054306 0.0000000 0.0000000 0.0000000 -1.8197604 3 K 1.0364999 0.0000000 0.0000000 0.0000000 1.0364999 0.0000000 0.0000000 0.0000000 1.7512695 4 Sm 4.5743614 0.0000000 0.0000000 0.0000000 4.5743614 0.0000000 0.0000000 0.0000000 1.8882513----------------------------------------------------------------------------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): 5--- Eigsh_solver_block: 1 / 5 ---Block_size: 97Use standard eigh solver.--- Eigsh_solver_block: 2 / 5 ---Block_size: 62Use standard eigh solver.--- Eigsh_solver_block: 3 / 5 ---Block_size: 54Use standard eigh solver.--- Eigsh_solver_block: 4 / 5 ---Block_size: 1Use standard eigh solver.--- Eigsh_solver_block: 5 / 5 ---Block_size: 1Use standard eigh solver.Tree of FC basis block matrices:- (215, 209), data: False|-- (1, 1), data: True|-- (1, 1), data: True|-- (54, 51), data: True|-- (62, 62), 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): 5--- Eigsh_solver_block: 1 / 5 ---Block_size: 97Use standard eigh solver.--- Eigsh_solver_block: 2 / 5 ---Block_size: 62Use standard eigh solver.--- Eigsh_solver_block: 3 / 5 ---Block_size: 54Use standard eigh solver.--- Eigsh_solver_block: 4 / 5 ---Block_size: 1Use standard eigh solver.--- Eigsh_solver_block: 5 / 5 ---Block_size: 1Use standard eigh solver.Tree of FC basis block matrices:- (215, 209), data: False|-- (1, 1), data: True|-- (1, 1), data: True|-- (54, 51), data: True|-- (62, 62), 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 2026-01-08 01:41:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 01:41:08]-------------------------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 2.044628160929665 1.180466619105429 7.298929519999992 b -2.044628160929661 1.180466619105429 7.298929519999992 c 0.000000000000002 -2.360933238210862 7.298929519999992Atomic positions (fractional): 1 S 0.73516571739674 0.73516571739674 0.73516571739674 32.065 2 S 0.26483428260326 0.26483428260326 0.26483428260326 32.065 3 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 4 Sm 0.00000000000000 0.00000000000000 0.00000000000000 150.360-------------------------------- supercell ---------------------------------Lattice vectors: a 12.267768965577982 0.000000000000000 0.000000000000000 b -6.133884482788993 10.624199571948873 0.000000000000000 c 0.000000000000000 0.000000000000000 21.896788559999997Atomic positions (fractional): 1 S 0.22222222222222 0.11111111111111 0.06849905073008 32.065 > 1 2 S 0.55555555555556 0.11111111111111 0.06849905073008 32.065 > 1 3 S 0.88888888888889 0.11111111111111 0.06849905073008 32.065 > 1 4 S 0.22222222222222 0.44444444444444 0.06849905073008 32.065 > 1 5 S 0.55555555555556 0.44444444444444 0.06849905073008 32.065 > 1 6 S 0.88888888888889 0.44444444444444 0.06849905073008 32.065 > 1 7 S 0.22222222222222 0.77777777777778 0.06849905073008 32.065 > 1 8 S 0.55555555555556 0.77777777777778 0.06849905073008 32.065 > 1 9 S 0.88888888888889 0.77777777777778 0.06849905073008 32.065 > 1 10 S 0.00000000000000 0.00000000000000 0.26483428260326 32.065 > 10 11 S 0.33333333333333 0.00000000000000 0.26483428260326 32.065 > 10 12 S 0.66666666666667 0.00000000000000 0.26483428260326 32.065 > 10 13 S 0.00000000000000 0.33333333333333 0.26483428260326 32.065 > 10 14 S 0.33333333333333 0.33333333333333 0.26483428260326 32.065 > 10 15 S 0.66666666666667 0.33333333333333 0.26483428260326 32.065 > 10 16 S 0.00000000000000 0.66666666666667 0.26483428260326 32.065 > 10 17 S 0.33333333333333 0.66666666666667 0.26483428260326 32.065 > 10 18 S 0.66666666666667 0.66666666666667 0.26483428260326 32.065 > 10 19 S 0.11111111111111 0.22222222222222 0.40183238406341 32.065 > 1 20 S 0.44444444444444 0.22222222222222 0.40183238406341 32.065 > 1 21 S 0.77777777777778 0.22222222222222 0.40183238406341 32.065 > 1 22 S 0.11111111111111 0.55555555555556 0.40183238406341 32.065 > 1 23 S 0.44444444444444 0.55555555555556 0.40183238406341 32.065 > 1 24 S 0.77777777777778 0.55555555555556 0.40183238406341 32.065 > 1 25 S 0.11111111111111 0.88888888888889 0.40183238406341 32.065 > 1 26 S 0.44444444444444 0.88888888888889 0.40183238406341 32.065 > 1 27 S 0.77777777777778 0.88888888888889 0.40183238406341 32.065 > 1 28 S 0.22222222222222 0.11111111111111 0.59816761593659 32.065 > 10 29 S 0.55555555555556 0.11111111111111 0.59816761593659 32.065 > 10 30 S 0.88888888888889 0.11111111111111 0.59816761593659 32.065 > 10 31 S 0.22222222222222 0.44444444444444 0.59816761593659 32.065 > 10 32 S 0.55555555555556 0.44444444444444 0.59816761593659 32.065 > 10 33 S 0.88888888888889 0.44444444444444 0.59816761593659 32.065 > 10 34 S 0.22222222222222 0.77777777777778 0.59816761593659 32.065 > 10 35 S 0.55555555555556 0.77777777777778 0.59816761593659 32.065 > 10 36 S 0.88888888888889 0.77777777777778 0.59816761593659 32.065 > 10 37 S 0.00000000000000 0.00000000000000 0.73516571739674 32.065 > 1 38 S 0.33333333333333 0.00000000000000 0.73516571739674 32.065 > 1 39 S 0.66666666666667 0.00000000000000 0.73516571739674 32.065 > 1 40 S 0.00000000000000 0.33333333333333 0.73516571739674 32.065 > 1 41 S 0.33333333333333 0.33333333333333 0.73516571739674 32.065 > 1 42 S 0.66666666666667 0.33333333333333 0.73516571739674 32.065 > 1 43 S 0.00000000000000 0.66666666666667 0.73516571739674 32.065 > 1 44 S 0.33333333333333 0.66666666666667 0.73516571739674 32.065 > 1 45 S 0.66666666666667 0.66666666666667 0.73516571739674 32.065 > 1 46 S 0.11111111111111 0.22222222222222 0.93150094926992 32.065 > 10 47 S 0.44444444444444 0.22222222222222 0.93150094926992 32.065 > 10 48 S 0.77777777777778 0.22222222222222 0.93150094926992 32.065 > 10 49 S 0.11111111111111 0.55555555555556 0.93150094926992 32.065 > 10 50 S 0.44444444444444 0.55555555555556 0.93150094926992 32.065 > 10 51 S 0.77777777777778 0.55555555555556 0.93150094926992 32.065 > 10 52 S 0.11111111111111 0.88888888888889 0.93150094926992 32.065 > 10 53 S 0.44444444444444 0.88888888888889 0.93150094926992 32.065 > 10 54 S 0.77777777777778 0.88888888888889 0.93150094926992 32.065 > 10 55 K 0.11111111111111 0.22222222222222 0.16666666666667 39.098 > 55 56 K 0.44444444444444 0.22222222222222 0.16666666666667 39.098 > 55 57 K 0.77777777777778 0.22222222222222 0.16666666666667 39.098 > 55 58 K 0.11111111111111 0.55555555555556 0.16666666666667 39.098 > 55 59 K 0.44444444444444 0.55555555555556 0.16666666666667 39.098 > 55 60 K 0.77777777777778 0.55555555555556 0.16666666666667 39.098 > 55 61 K 0.11111111111111 0.88888888888889 0.16666666666667 39.098 > 55 62 K 0.44444444444444 0.88888888888889 0.16666666666667 39.098 > 55 63 K 0.77777777777778 0.88888888888889 0.16666666666667 39.098 > 55 64 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 55 65 K 0.33333333333333 0.00000000000000 0.50000000000000 39.098 > 55 66 K 0.66666666666667 0.00000000000000 0.50000000000000 39.098 > 55 67 K 0.00000000000000 0.33333333333333 0.50000000000000 39.098 > 55 68 K 0.33333333333333 0.33333333333333 0.50000000000000 39.098 > 55 69 K 0.66666666666667 0.33333333333333 0.50000000000000 39.098 > 55 70 K 0.00000000000000 0.66666666666667 0.50000000000000 39.098 > 55 71 K 0.33333333333333 0.66666666666667 0.50000000000000 39.098 > 55 72 K 0.66666666666667 0.66666666666667 0.50000000000000 39.098 > 55 73 K 0.22222222222222 0.11111111111111 0.83333333333333 39.098 > 55 74 K 0.55555555555556 0.11111111111111 0.83333333333333 39.098 > 55 75 K 0.88888888888889 0.11111111111111 0.83333333333333 39.098 > 55 76 K 0.22222222222222 0.44444444444444 0.83333333333333 39.098 > 55 77 K 0.55555555555556 0.44444444444444 0.83333333333333 39.098 > 55 78 K 0.88888888888889 0.44444444444444 0.83333333333333 39.098 > 55 79 K 0.22222222222222 0.77777777777778 0.83333333333333 39.098 > 55 80 K 0.55555555555556 0.77777777777778 0.83333333333333 39.098 > 55 81 K 0.88888888888889 0.77777777777778 0.83333333333333 39.098 > 55 82 Sm 0.00000000000000 0.00000000000000 0.00000000000000 150.360 > 82 83 Sm 0.33333333333333 0.00000000000000 0.00000000000000 150.360 > 82 84 Sm 0.66666666666667 0.00000000000000 0.00000000000000 150.360 > 82 85 Sm 0.00000000000000 0.33333333333333 0.00000000000000 150.360 > 82 86 Sm 0.33333333333333 0.33333333333333 0.00000000000000 150.360 > 82 87 Sm 0.66666666666667 0.33333333333333 0.00000000000000 150.360 > 82 88 Sm 0.00000000000000 0.66666666666667 0.00000000000000 150.360 > 82 89 Sm 0.33333333333333 0.66666666666667 0.00000000000000 150.360 > 82 90 Sm 0.66666666666667 0.66666666666667 0.00000000000000 150.360 > 82 91 Sm 0.22222222222222 0.11111111111111 0.33333333333333 150.360 > 82 92 Sm 0.55555555555556 0.11111111111111 0.33333333333333 150.360 > 82 93 Sm 0.88888888888889 0.11111111111111 0.33333333333333 150.360 > 82 94 Sm 0.22222222222222 0.44444444444444 0.33333333333333 150.360 > 82 95 Sm 0.55555555555556 0.44444444444444 0.33333333333333 150.360 > 82 96 Sm 0.88888888888889 0.44444444444444 0.33333333333333 150.360 > 82 97 Sm 0.22222222222222 0.77777777777778 0.33333333333333 150.360 > 82 98 Sm 0.55555555555556 0.77777777777778 0.33333333333333 150.360 > 82 99 Sm 0.88888888888889 0.77777777777778 0.33333333333333 150.360 > 82 100 Sm 0.11111111111111 0.22222222222222 0.66666666666667 150.360 > 82 101 Sm 0.44444444444444 0.22222222222222 0.66666666666667 150.360 > 82 102 Sm 0.77777777777778 0.22222222222222 0.66666666666667 150.360 > 82 103 Sm 0.11111111111111 0.55555555555556 0.66666666666667 150.360 > 82 104 Sm 0.44444444444444 0.55555555555556 0.66666666666667 150.360 > 82 105 Sm 0.77777777777778 0.55555555555556 0.66666666666667 150.360 > 82 106 Sm 0.11111111111111 0.88888888888889 0.66666666666667 150.360 > 82 107 Sm 0.44444444444444 0.88888888888889 0.66666666666667 150.360 > 82 108 Sm 0.77777777777778 0.88888888888889 0.66666666666667 150.360 > 82----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 5.7415142 0.0000000 0.0000000 0.0000000 5.7415142 0.0000000 0.0000000 0.0000000 4.1246212-------------------------- Born effective charges -------------------------- 1 S -2.8054306 -0.0000000 0.0000000 0.0000000 -2.8054306 0.0000000 0.0000000 0.0000000 -1.8197604 2 S -2.8054306 -0.0000000 0.0000000 0.0000000 -2.8054306 0.0000000 0.0000000 0.0000000 -1.8197604 3 K 1.0364999 0.0000000 0.0000000 0.0000000 1.0364999 0.0000000 0.0000000 0.0000000 1.7512695 4 Sm 4.5743614 0.0000000 0.0000000 0.0000000 4.5743614 0.0000000 0.0000000 0.0000000 1.8882513----------------------------------------------------------------------------Sets of supercell forces were read from "FORCES_FC3.xz".Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".----------------------------- Force constants ------------------------------Computing fc3[ 1, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 55, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 82, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy)fc3 was written into "fc3.hdf5".Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) 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 2026-01-08 01:41:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 01:41:12]-------------------------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 2.044628160929665 1.180466619105429 7.298929519999992 b -2.044628160929661 1.180466619105429 7.298929519999992 c 0.000000000000002 -2.360933238210862 7.298929519999992Atomic positions (fractional): 1 S 0.73516571739674 0.73516571739674 0.73516571739674 32.065 2 S 0.26483428260326 0.26483428260326 0.26483428260326 32.065 3 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 4 Sm 0.00000000000000 0.00000000000000 0.00000000000000 150.360-------------------------------- supercell ---------------------------------Lattice vectors: a 12.267768965577982 0.000000000000000 0.000000000000000 b -6.133884482788993 10.624199571948873 0.000000000000000 c 0.000000000000000 0.000000000000000 21.896788559999997Atomic positions (fractional): 1 S 0.22222222222222 0.11111111111111 0.06849905073008 32.065 > 1 2 S 0.55555555555556 0.11111111111111 0.06849905073008 32.065 > 1 3 S 0.88888888888889 0.11111111111111 0.06849905073008 32.065 > 1 4 S 0.22222222222222 0.44444444444444 0.06849905073008 32.065 > 1 5 S 0.55555555555556 0.44444444444444 0.06849905073008 32.065 > 1 6 S 0.88888888888889 0.44444444444444 0.06849905073008 32.065 > 1 7 S 0.22222222222222 0.77777777777778 0.06849905073008 32.065 > 1 8 S 0.55555555555556 0.77777777777778 0.06849905073008 32.065 > 1 9 S 0.88888888888889 0.77777777777778 0.06849905073008 32.065 > 1 10 S 0.00000000000000 0.00000000000000 0.26483428260326 32.065 > 10 11 S 0.33333333333333 0.00000000000000 0.26483428260326 32.065 > 10 12 S 0.66666666666667 0.00000000000000 0.26483428260326 32.065 > 10 13 S 0.00000000000000 0.33333333333333 0.26483428260326 32.065 > 10 14 S 0.33333333333333 0.33333333333333 0.26483428260326 32.065 > 10 15 S 0.66666666666667 0.33333333333333 0.26483428260326 32.065 > 10 16 S 0.00000000000000 0.66666666666667 0.26483428260326 32.065 > 10 17 S 0.33333333333333 0.66666666666667 0.26483428260326 32.065 > 10 18 S 0.66666666666667 0.66666666666667 0.26483428260326 32.065 > 10 19 S 0.11111111111111 0.22222222222222 0.40183238406341 32.065 > 1 20 S 0.44444444444444 0.22222222222222 0.40183238406341 32.065 > 1 21 S 0.77777777777778 0.22222222222222 0.40183238406341 32.065 > 1 22 S 0.11111111111111 0.55555555555556 0.40183238406341 32.065 > 1 23 S 0.44444444444444 0.55555555555556 0.40183238406341 32.065 > 1 24 S 0.77777777777778 0.55555555555556 0.40183238406341 32.065 > 1 25 S 0.11111111111111 0.88888888888889 0.40183238406341 32.065 > 1 26 S 0.44444444444444 0.88888888888889 0.40183238406341 32.065 > 1 27 S 0.77777777777778 0.88888888888889 0.40183238406341 32.065 > 1 28 S 0.22222222222222 0.11111111111111 0.59816761593659 32.065 > 10 29 S 0.55555555555556 0.11111111111111 0.59816761593659 32.065 > 10 30 S 0.88888888888889 0.11111111111111 0.59816761593659 32.065 > 10 31 S 0.22222222222222 0.44444444444444 0.59816761593659 32.065 > 10 32 S 0.55555555555556 0.44444444444444 0.59816761593659 32.065 > 10 33 S 0.88888888888889 0.44444444444444 0.59816761593659 32.065 > 10 34 S 0.22222222222222 0.77777777777778 0.59816761593659 32.065 > 10 35 S 0.55555555555556 0.77777777777778 0.59816761593659 32.065 > 10 36 S 0.88888888888889 0.77777777777778 0.59816761593659 32.065 > 10 37 S 0.00000000000000 0.00000000000000 0.73516571739674 32.065 > 1 38 S 0.33333333333333 0.00000000000000 0.73516571739674 32.065 > 1 39 S 0.66666666666667 0.00000000000000 0.73516571739674 32.065 > 1 40 S 0.00000000000000 0.33333333333333 0.73516571739674 32.065 > 1 41 S 0.33333333333333 0.33333333333333 0.73516571739674 32.065 > 1 42 S 0.66666666666667 0.33333333333333 0.73516571739674 32.065 > 1 43 S 0.00000000000000 0.66666666666667 0.73516571739674 32.065 > 1 44 S 0.33333333333333 0.66666666666667 0.73516571739674 32.065 > 1 45 S 0.66666666666667 0.66666666666667 0.73516571739674 32.065 > 1 46 S 0.11111111111111 0.22222222222222 0.93150094926992 32.065 > 10 47 S 0.44444444444444 0.22222222222222 0.93150094926992 32.065 > 10 48 S 0.77777777777778 0.22222222222222 0.93150094926992 32.065 > 10 49 S 0.11111111111111 0.55555555555556 0.93150094926992 32.065 > 10 50 S 0.44444444444444 0.55555555555556 0.93150094926992 32.065 > 10 51 S 0.77777777777778 0.55555555555556 0.93150094926992 32.065 > 10 52 S 0.11111111111111 0.88888888888889 0.93150094926992 32.065 > 10 53 S 0.44444444444444 0.88888888888889 0.93150094926992 32.065 > 10 54 S 0.77777777777778 0.88888888888889 0.93150094926992 32.065 > 10 55 K 0.11111111111111 0.22222222222222 0.16666666666667 39.098 > 55 56 K 0.44444444444444 0.22222222222222 0.16666666666667 39.098 > 55 57 K 0.77777777777778 0.22222222222222 0.16666666666667 39.098 > 55 58 K 0.11111111111111 0.55555555555556 0.16666666666667 39.098 > 55 59 K 0.44444444444444 0.55555555555556 0.16666666666667 39.098 > 55 60 K 0.77777777777778 0.55555555555556 0.16666666666667 39.098 > 55 61 K 0.11111111111111 0.88888888888889 0.16666666666667 39.098 > 55 62 K 0.44444444444444 0.88888888888889 0.16666666666667 39.098 > 55 63 K 0.77777777777778 0.88888888888889 0.16666666666667 39.098 > 55 64 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 55 65 K 0.33333333333333 0.00000000000000 0.50000000000000 39.098 > 55 66 K 0.66666666666667 0.00000000000000 0.50000000000000 39.098 > 55 67 K 0.00000000000000 0.33333333333333 0.50000000000000 39.098 > 55 68 K 0.33333333333333 0.33333333333333 0.50000000000000 39.098 > 55 69 K 0.66666666666667 0.33333333333333 0.50000000000000 39.098 > 55 70 K 0.00000000000000 0.66666666666667 0.50000000000000 39.098 > 55 71 K 0.33333333333333 0.66666666666667 0.50000000000000 39.098 > 55 72 K 0.66666666666667 0.66666666666667 0.50000000000000 39.098 > 55 73 K 0.22222222222222 0.11111111111111 0.83333333333333 39.098 > 55 74 K 0.55555555555556 0.11111111111111 0.83333333333333 39.098 > 55 75 K 0.88888888888889 0.11111111111111 0.83333333333333 39.098 > 55 76 K 0.22222222222222 0.44444444444444 0.83333333333333 39.098 > 55 77 K 0.55555555555556 0.44444444444444 0.83333333333333 39.098 > 55 78 K 0.88888888888889 0.44444444444444 0.83333333333333 39.098 > 55 79 K 0.22222222222222 0.77777777777778 0.83333333333333 39.098 > 55 80 K 0.55555555555556 0.77777777777778 0.83333333333333 39.098 > 55 81 K 0.88888888888889 0.77777777777778 0.83333333333333 39.098 > 55 82 Sm 0.00000000000000 0.00000000000000 0.00000000000000 150.360 > 82 83 Sm 0.33333333333333 0.00000000000000 0.00000000000000 150.360 > 82 84 Sm 0.66666666666667 0.00000000000000 0.00000000000000 150.360 > 82 85 Sm 0.00000000000000 0.33333333333333 0.00000000000000 150.360 > 82 86 Sm 0.33333333333333 0.33333333333333 0.00000000000000 150.360 > 82 87 Sm 0.66666666666667 0.33333333333333 0.00000000000000 150.360 > 82 88 Sm 0.00000000000000 0.66666666666667 0.00000000000000 150.360 > 82 89 Sm 0.33333333333333 0.66666666666667 0.00000000000000 150.360 > 82 90 Sm 0.66666666666667 0.66666666666667 0.00000000000000 150.360 > 82 91 Sm 0.22222222222222 0.11111111111111 0.33333333333333 150.360 > 82 92 Sm 0.55555555555556 0.11111111111111 0.33333333333333 150.360 > 82 93 Sm 0.88888888888889 0.11111111111111 0.33333333333333 150.360 > 82 94 Sm 0.22222222222222 0.44444444444444 0.33333333333333 150.360 > 82 95 Sm 0.55555555555556 0.44444444444444 0.33333333333333 150.360 > 82 96 Sm 0.88888888888889 0.44444444444444 0.33333333333333 150.360 > 82 97 Sm 0.22222222222222 0.77777777777778 0.33333333333333 150.360 > 82 98 Sm 0.55555555555556 0.77777777777778 0.33333333333333 150.360 > 82 99 Sm 0.88888888888889 0.77777777777778 0.33333333333333 150.360 > 82 100 Sm 0.11111111111111 0.22222222222222 0.66666666666667 150.360 > 82 101 Sm 0.44444444444444 0.22222222222222 0.66666666666667 150.360 > 82 102 Sm 0.77777777777778 0.22222222222222 0.66666666666667 150.360 > 82 103 Sm 0.11111111111111 0.55555555555556 0.66666666666667 150.360 > 82 104 Sm 0.44444444444444 0.55555555555556 0.66666666666667 150.360 > 82 105 Sm 0.77777777777778 0.55555555555556 0.66666666666667 150.360 > 82 106 Sm 0.11111111111111 0.88888888888889 0.66666666666667 150.360 > 82 107 Sm 0.44444444444444 0.88888888888889 0.66666666666667 150.360 > 82 108 Sm 0.77777777777778 0.88888888888889 0.66666666666667 150.360 > 82----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 5.7415142 0.0000000 0.0000000 0.0000000 5.7415142 0.0000000 0.0000000 0.0000000 4.1246212-------------------------- Born effective charges -------------------------- 1 S -2.8054306 -0.0000000 0.0000000 0.0000000 -2.8054306 0.0000000 0.0000000 0.0000000 -1.8197604 2 S -2.8054306 -0.0000000 0.0000000 0.0000000 -2.8054306 0.0000000 0.0000000 0.0000000 -1.8197604 3 K 1.0364999 0.0000000 0.0000000 0.0000000 1.0364999 0.0000000 0.0000000 0.0000000 1.7512695 4 Sm 4.5743614 0.0000000 0.0000000 0.0000000 4.5743614 0.0000000 0.0000000 0.0000000 1.8882513----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy)Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 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: 0.88, Number of G-points: 313, Lambda: 0.21Running 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 1.64e-04 3.35e-04 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 2.931 ( 0.000 0.000 0.000) 0.000 2.931 ( 0.000 0.000 0.000) 0.000 4.739 ( 0.000 0.000 0.000) 0.000 5.185 ( 0.000 0.000 0.000) 0.000 5.185 ( 0.000 0.000 0.000) 0.000 6.335 ( 0.000 0.000 0.000) 0.000 6.335 ( 0.000 0.000 0.000) 0.000 6.884 ( 0.000 0.000 0.000) 0.000 7.845 ( 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 1.64e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.478 ( 21.108 12.187 -3.535) 24.629 0.513 ( 22.295 12.872 -2.911) 25.908 0.992 ( 40.183 23.200 11.842) 47.887 2.939 ( 0.581 0.335 0.221) 0.706 3.006 ( 5.098 2.943 -1.658) 6.116 4.707 ( -2.926 -1.690 0.543) 3.423 5.214 ( 2.322 1.341 1.127) 2.909 6.313 ( -1.767 -1.020 -0.483) 2.097 6.315 ( -1.947 -1.124 0.459) 2.294 6.863 ( 1.958 1.131 -12.861) 13.058 7.785 ( -5.142 -2.969 1.574) 6.142 8.619 ( -1.633 -0.943 -3.280) 3.784======================= 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 1.64e-04 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.959 ( 21.154 12.213 -3.569) 24.685 1.013 ( 21.491 12.408 -4.465) 25.214 1.927 ( 36.728 21.205 7.823) 43.125 2.959 ( 1.020 0.589 0.467) 1.267 3.161 ( 8.482 4.897 -1.847) 9.967 4.612 ( -5.275 -3.046 0.548) 6.116 5.298 ( 4.239 2.447 2.084) 5.320 6.241 ( -4.543 -2.623 0.735) 5.297 6.258 ( -2.414 -1.394 -1.013) 2.966 6.880 ( 2.113 1.220 -5.481) 5.999 7.632 ( -8.243 -4.759 2.924) 9.957 8.533 ( -4.633 -2.675 -5.517) 7.685======================= 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 1.64e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.431 ( 20.160 11.639 -3.666) 23.566 1.473 ( 19.220 11.096 -6.379) 23.091 2.714 ( 28.651 16.541 -0.326) 33.085 2.987 ( 1.199 0.692 0.782) 1.590 3.389 ( 11.530 6.657 1.804) 13.435 4.475 ( -6.728 -3.885 3.252) 8.423 5.416 ( 4.984 2.877 2.756) 6.381 6.124 ( -5.082 -2.934 0.709) 5.911 6.208 ( -1.181 -0.682 -1.567) 2.078 6.910 ( 0.782 0.451 -1.317) 1.596 7.433 ( -9.579 -5.530 3.521) 11.608 8.374 ( -6.536 -3.774 -8.676) 11.500======================= 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 1.64e-04 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.852 ( 15.031 8.678 -7.759) 19.011 1.861 ( 17.483 10.094 -3.727) 20.529 3.017 ( 1.021 0.590 1.175) 1.665 3.219 ( 16.449 9.497 -7.716) 20.502 3.719 ( 14.660 8.464 5.258) 17.726 4.332 ( -6.903 -3.986 7.987) 11.284 5.532 ( 3.875 2.237 2.901) 5.333 6.037 ( -2.051 -1.184 0.589) 2.441 6.207 ( 1.680 0.970 -1.855) 2.685 6.881 ( -3.368 -1.945 0.062) 3.890 7.210 ( -10.503 -6.064 2.265) 12.337 8.206 ( -4.574 -2.641 -8.964) 10.404======================= 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 1.64e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.114 ( 9.448 5.455 -7.248) 13.098 2.208 ( 13.083 7.553 -3.439) 15.493 3.040 ( 0.506 0.292 1.472) 1.583 3.511 ( 11.882 6.860 -5.951) 14.956 4.007 ( 7.537 4.352 0.492) 8.717 4.221 ( -4.903 -2.831 11.892) 13.171 5.608 ( 1.962 1.133 2.236) 3.184 6.045 ( 2.505 1.446 -0.059) 2.893 6.269 ( 3.798 2.193 -1.488) 4.631 6.758 ( -7.191 -4.152 1.580) 8.452 6.961 ( -10.201 -5.890 -2.582) 12.059 8.124 ( -0.619 -0.358 -5.074) 5.124======================= 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 1.64e-04 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.250 ( 4.126 2.382 -4.257) 6.389 2.437 ( 7.174 4.142 -2.288) 8.594 3.049 ( -0.006 -0.003 1.205) 1.205 3.755 ( 10.433 6.023 -5.805) 13.372 4.066 ( -2.138 -1.234 11.990) 12.242 4.179 ( -1.673 -0.966 -1.574) 2.492 5.644 ( 0.744 0.430 1.134) 1.423 6.133 ( 4.579 2.644 -1.555) 5.511 6.350 ( 2.962 1.710 -0.750) 3.502 6.573 ( -8.567 -4.946 3.915) 10.638 6.765 ( -4.940 -2.852 -5.022) 7.600 8.122 ( 0.809 0.467 -1.563) 1.821======================= 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 1.64e-04 3.35e-04 Number of triplets: 372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.289 ( 0.000 0.000 0.000) 0.000 2.519 ( 0.000 0.000 0.000) 0.000 3.051 ( 0.000 0.000 0.000) 0.000 3.898 ( -0.000 -0.000 0.000) 0.000 4.061 ( 0.000 0.000 0.000) 0.000 4.125 ( -0.000 -0.000 -0.000) 0.000 5.654 ( 0.000 0.000 0.000) 0.000 6.201 ( 0.000 0.000 -0.000) 0.000 6.386 ( 0.000 0.000 0.000) 0.000 6.458 ( -0.000 -0.000 0.000) 0.000 6.700 ( 0.000 0.000 0.000) 0.000 8.132 ( 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 1.64e-04 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.567 ( 0.000 23.428 13.611) 27.094 0.588 ( 0.000 25.890 9.481) 27.572 0.955 ( -0.000 44.939 6.046) 45.344 2.929 ( -0.000 0.353 -1.625) 1.663 3.011 ( -0.000 6.311 -0.571) 6.337 4.703 ( 0.000 -4.188 -0.391) 4.206 5.198 ( -0.000 2.037 -2.110) 2.932 6.312 ( 0.000 -2.492 -0.159) 2.497 6.321 ( 0.000 -1.704 1.182) 2.074 6.799 ( -0.000 7.278 -24.209) 25.280 7.791 ( 0.000 -6.055 2.702) 6.631 8.619 ( -0.000 -0.527 -3.066) 3.111======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.809 ( 5.494 21.259 9.697) 24.004 1.008 ( 8.897 26.077 0.160) 27.553 1.677 ( 25.066 34.945 8.031) 43.749 2.949 ( 1.821 1.059 -1.236) 2.443 3.108 ( 3.291 7.737 -1.523) 8.544 4.631 ( -2.131 -5.509 -1.363) 6.062 5.258 ( 3.946 2.949 -0.877) 5.003 6.263 ( -1.628 -3.923 -0.600) 4.289 6.283 ( -2.373 -2.114 1.265) 3.421 6.823 ( 2.790 3.239 -12.854) 13.546 7.690 ( -4.273 -7.942 3.702) 9.749 8.565 ( -3.594 -2.176 -3.695) 5.595======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.208 ( 14.099 17.303 3.262) 22.557 1.415 ( 10.010 22.192 -3.009) 24.531 2.455 ( 24.784 26.117 1.725) 36.046 2.998 ( 1.214 3.314 0.030) 3.530 3.280 ( 8.539 7.464 0.153) 11.342 4.517 ( -3.464 -6.517 0.482) 7.396 5.376 ( 5.081 4.367 0.833) 6.752 6.170 ( -3.613 -4.572 -0.286) 5.834 6.225 ( -2.232 -1.048 0.201) 2.474 6.869 ( 3.056 1.008 -5.877) 6.701 7.520 ( -6.795 -8.558 4.352) 11.763 8.425 ( -6.783 -3.833 -6.710) 10.282======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.634 ( 15.242 14.020 -1.718) 20.780 1.779 ( 10.204 17.406 -3.863) 20.543 3.015 ( 14.316 13.061 -6.613) 20.476 3.054 ( 2.015 7.099 -0.455) 7.394 3.579 ( 14.036 9.844 5.682) 18.061 4.392 ( -3.815 -6.748 4.635) 9.031 5.516 ( 4.220 5.419 2.139) 7.194 6.067 ( -3.035 -2.866 -0.072) 4.175 6.198 ( -0.339 0.847 -0.940) 1.310 6.887 ( 0.325 -1.635 -2.656) 3.136 7.315 ( -8.424 -8.551 4.270) 12.741 8.233 ( -6.462 -4.208 -8.795) 11.697======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.972 ( 11.051 8.866 -6.107) 15.428 2.110 ( 10.194 15.007 -2.318) 18.290 3.079 ( -1.523 4.514 0.524) 4.793 3.359 ( 12.237 9.301 -7.070) 16.919 3.917 ( 10.086 7.884 2.574) 13.058 4.289 ( -3.136 -5.714 9.550) 11.562 5.633 ( 1.417 6.014 2.671) 6.731 6.025 ( 0.386 -0.246 -0.417) 0.620 6.230 ( 2.397 2.508 -1.437) 3.755 6.823 ( -3.728 -3.102 -1.688) 5.135 7.072 ( -10.748 -8.502 1.368) 13.772 8.097 ( -1.348 -3.144 -6.490) 7.336======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.170 ( 6.567 4.523 -5.577) 9.731 2.398 ( 6.639 13.007 -2.242) 14.775 3.088 ( -2.116 3.187 1.003) 3.955 3.623 ( 10.399 7.887 -5.475) 14.153 4.070 ( 2.650 1.048 2.022) 3.494 4.230 ( -3.002 -3.023 8.550) 9.553 5.702 ( -1.627 6.749 2.133) 7.263 6.068 ( 3.894 1.051 -1.580) 4.332 6.307 ( 3.462 2.261 -0.903) 4.232 6.703 ( -7.471 -2.278 2.592) 8.230 6.806 ( -7.922 -6.696 -4.669) 11.375 8.071 ( 2.551 -2.604 -2.548) 4.448======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.267 ( 2.728 1.700 -2.656) 4.170 2.571 ( 0.054 10.089 -1.276) 10.169 3.080 ( -2.016 2.111 0.787) 3.023 3.824 ( 6.780 4.872 -7.371) 11.137 4.109 ( -1.211 -1.128 -5.566) 5.807 4.144 ( -3.281 -2.194 14.842) 15.357 5.730 ( -3.706 7.067 1.050) 8.049 6.147 ( 4.354 -0.098 -1.725) 4.684 6.379 ( 2.635 1.809 0.069) 3.197 6.519 ( -8.146 -3.101 0.900) 8.763 6.700 ( -0.683 -0.530 -1.525) 1.753 8.089 ( 2.792 -3.098 -0.622) 4.217======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.285 ( -0.913 -0.795 0.945) 1.536 2.582 ( -7.800 5.488 1.138) 9.605 3.073 ( -1.347 2.521 -0.554) 2.911 3.875 ( -5.555 -4.014 3.173) 7.552 3.973 ( 1.203 0.725 -17.037) 17.095 4.207 ( 0.052 1.283 11.239) 11.312 5.724 ( -4.869 6.312 -0.169) 7.973 6.164 ( -1.307 -3.379 1.593) 3.958 6.375 ( -2.382 -1.624 -0.831) 3.000 6.502 ( 4.961 5.628 -2.247) 7.831 6.725 ( 2.898 0.962 3.244) 4.454 8.094 ( 1.897 -3.716 0.444) 4.196======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.219 ( -5.442 -3.493 4.384) 7.813 2.422 ( -14.243 0.353 2.724) 14.505 3.076 ( -1.778 3.725 -1.330) 4.336 3.658 ( -10.370 -5.992 1.184) 12.035 4.026 ( 4.307 0.964 -7.012) 8.285 4.187 ( -4.944 -0.527 0.437) 4.991 5.685 ( -5.520 4.381 -1.353) 7.176 6.080 ( -3.556 -2.766 0.771) 4.571 6.314 ( -3.054 -1.788 0.630) 3.595 6.675 ( 7.061 6.515 -2.997) 10.064 6.851 ( 8.347 2.283 4.332) 9.677 8.098 ( 2.463 -3.034 2.784) 4.798======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.034 ( -13.052 -6.614 6.382) 15.964 2.135 ( -17.217 -2.153 2.771) 17.571 3.070 ( -3.145 4.082 -1.363) 5.330 3.420 ( -11.837 -5.955 4.992) 14.160 3.901 ( -15.530 -5.288 -0.519) 16.414 4.194 ( 7.985 1.571 -9.574) 12.565 5.608 ( -6.174 1.796 -2.219) 6.802 6.026 ( -0.419 -0.124 -0.199) 0.481 6.244 ( -3.127 -1.027 1.393) 3.574 6.824 ( 5.140 2.851 -1.317) 6.024 7.066 ( 10.915 3.498 0.199) 11.463 8.160 ( 5.323 -0.290 6.162) 8.148======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.664 ( -20.630 -8.987 4.381) 22.925 1.820 ( -19.180 -1.407 4.143) 19.673 3.039 ( -3.830 2.989 -1.374) 5.049 3.082 ( -24.270 -7.453 4.748) 25.829 3.535 ( -14.661 -6.419 -3.324) 16.346 4.345 ( 9.424 1.605 -4.772) 10.685 5.494 ( -6.792 -0.218 -2.293) 7.172 6.065 ( 3.807 1.662 -0.460) 4.179 6.209 ( -0.602 0.013 1.394) 1.519 6.896 ( 1.891 0.042 -0.848) 2.073 7.285 ( 10.839 2.851 -1.727) 11.340 8.310 ( 7.565 2.074 6.748) 10.347======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.204 ( -22.714 -7.867 2.460) 24.164 1.448 ( -23.999 0.204 3.592) 24.267 2.435 ( -38.792 -8.217 -1.903) 39.698 2.994 ( -3.094 1.095 -0.746) 3.365 3.284 ( -9.427 -3.157 0.517) 9.955 4.507 ( 8.390 0.995 -1.367) 8.559 5.365 ( -6.244 -0.802 -1.495) 6.470 6.169 ( 5.685 1.547 -0.422) 5.907 6.228 ( 1.895 0.265 0.836) 2.088 6.901 ( -0.378 -0.630 0.479) 0.877 7.491 ( 10.462 1.872 -1.364) 10.715 8.477 ( 6.563 1.751 3.787) 7.776======================= 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 1.64e-04 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.760 ( -22.809 -0.000 0.000) 22.809 1.010 ( -27.330 -0.000 0.000) 27.330 1.635 ( -45.040 -0.000 0.000) 45.040 2.955 ( -1.683 -0.000 0.000) 1.683 3.115 ( -8.222 -0.000 0.000) 8.222 4.637 ( 5.894 0.000 -0.000) 5.894 5.262 ( -4.450 -0.000 0.000) 4.450 6.268 ( 4.339 0.000 -0.000) 4.339 6.275 ( 2.766 0.000 -0.000) 2.766 6.889 ( -0.577 -0.000 0.000) 0.577 7.671 ( 8.859 0.000 -0.000) 8.859 8.584 ( 3.905 0.000 -0.000) 3.905======================= 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 1.64e-04 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.115 ( 0.000 22.743 11.000) 25.264 1.160 ( 0.000 24.844 7.930) 26.079 1.879 ( -0.000 42.814 4.603) 43.061 2.925 ( -0.000 0.682 -2.861) 2.941 3.173 ( -0.000 9.592 -1.087) 9.653 4.576 ( -0.000 -7.178 -2.686) 7.665 5.244 ( -0.000 4.246 -2.998) 5.197 6.226 ( 0.000 -5.534 -0.694) 5.577 6.288 ( 0.000 -2.331 1.764) 2.924 6.792 ( -0.000 3.934 -12.943) 13.528 7.647 ( 0.000 -10.090 3.946) 10.834 8.568 ( -0.000 -2.861 -2.224) 3.624======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.342 ( -0.116 23.573 10.474) 25.795 1.502 ( 5.847 21.700 1.845) 22.550 2.433 ( 12.716 35.221 1.271) 37.468 2.970 ( 4.665 2.247 -1.532) 5.400 3.279 ( 1.781 9.787 -0.870) 9.986 4.478 ( -1.182 -8.412 -1.522) 8.630 5.330 ( 4.855 5.215 -1.777) 7.344 6.154 ( -1.232 -5.831 -0.854) 6.021 6.255 ( -1.696 -1.495 1.530) 2.730 6.808 ( 2.220 1.749 -8.827) 9.269 7.523 ( -3.244 -10.813 4.026) 11.985 8.479 ( -5.154 -3.954 -3.508) 7.383======================= 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 1.64e-04 3.35e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.646 ( 4.799 21.086 5.958) 22.431 1.808 ( 6.713 18.008 -1.186) 19.256 2.913 ( 11.159 18.157 -7.370) 22.550 3.103 ( 3.006 7.793 -0.657) 8.378 3.487 ( 10.232 12.797 4.285) 16.935 4.367 ( -1.364 -8.784 1.900) 9.090 5.489 ( 6.254 6.489 0.383) 9.021 6.070 ( -1.725 -4.327 -1.054) 4.776 6.225 ( -1.328 0.707 0.677) 1.650 6.830 ( 2.291 -1.444 -5.471) 6.105 7.352 ( -5.270 -10.535 4.153) 12.490 8.297 ( -8.299 -4.603 -5.775) 11.109======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.921 ( 5.498 13.155 -1.472) 14.334 2.121 ( 8.149 18.676 0.723) 20.390 3.159 ( 0.680 6.695 -1.395) 6.872 3.234 ( 9.317 9.855 -6.701) 15.127 3.842 ( 10.501 12.296 2.485) 16.360 4.277 ( -0.551 -7.513 6.382) 9.873 5.662 ( 4.477 7.466 2.349) 9.017 6.015 ( -0.379 -1.517 -1.583) 2.225 6.235 ( 0.269 3.191 -0.508) 3.242 6.808 ( -0.004 -3.846 -4.403) 5.846 7.153 ( -7.587 -9.740 3.688) 12.885 8.098 ( -5.925 -4.352 -5.904) 9.429======================= 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 1.64e-04 3.35e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.106 ( 5.159 7.360 -3.798) 9.758 2.443 ( 6.261 18.347 0.450) 19.392 3.181 ( -2.985 5.223 -0.713) 6.057 3.505 ( 11.377 8.279 -2.937) 14.374 4.037 ( 3.246 2.204 -0.032) 3.923 4.250 ( 0.016 -2.573 6.739) 7.214 5.800 ( 1.250 8.089 3.037) 8.730 6.019 ( 1.874 0.762 -2.319) 3.078 6.288 ( 1.538 3.752 -1.095) 4.201 6.741 ( -1.147 -3.154 -3.884) 5.133 6.908 ( -10.951 -7.934 1.671) 13.626 7.992 ( 0.416 -4.262 -2.974) 5.214======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.228 ( 3.466 4.010 -3.014) 6.097 2.692 ( 1.614 16.454 -0.319) 16.536 3.166 ( -3.834 3.791 0.584) 5.423 3.743 ( 7.349 6.445 -3.875) 10.515 4.082 ( 2.303 -1.034 2.402) 3.484 4.209 ( -3.471 -2.910 3.713) 5.856 5.886 ( -2.405 9.010 2.027) 9.543 6.070 ( 3.480 0.991 -2.334) 4.306 6.345 ( 2.359 1.389 -0.447) 2.774 6.645 ( -9.466 -5.075 -1.972) 10.921 6.709 ( -1.343 0.686 0.196) 1.521 7.982 ( 3.694 -5.069 -0.794) 6.323======================= 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 1.64e-04 3.35e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.285 ( 0.732 1.303 -1.216) 1.926 2.807 ( -6.226 12.653 0.629) 14.116 3.140 ( -2.813 3.478 0.488) 4.500 3.854 ( 3.052 1.997 -3.983) 5.401 3.991 ( -7.505 -4.289 -10.086) 13.283 4.239 ( 3.314 1.038 12.913) 13.371 5.905 ( -5.891 8.427 0.376) 10.289 6.127 ( 2.450 -0.976 0.019) 2.638 6.388 ( 0.753 -2.073 -0.338) 2.231 6.497 ( -1.923 3.321 -1.107) 3.994 6.718 ( 0.257 1.550 1.142) 1.942 7.992 ( 3.781 -5.976 -0.150) 7.073======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.270 ( -2.540 -1.163 0.936) 2.947 2.718 ( -14.552 5.692 2.282) 15.792 3.154 ( -1.555 6.177 -0.408) 6.383 3.748 ( -8.541 -7.271 -4.764) 12.187 3.923 ( 4.405 1.462 -7.022) 8.417 4.300 ( -3.337 1.582 7.850) 8.675 5.855 ( -7.576 5.454 -0.817) 9.370 6.109 ( -2.185 -2.504 1.330) 3.579 6.351 ( -2.103 0.514 0.258) 2.180 6.617 ( 6.575 6.594 -2.971) 9.775 6.763 ( 3.769 0.258 3.630) 5.239 8.000 ( 4.120 -5.565 0.843) 6.975======================= 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 1.64e-04 3.35e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.175 ( -7.036 -2.839 2.682) 8.047 2.458 ( -19.081 1.098 1.938) 19.210 3.183 ( -3.308 7.190 -0.396) 7.924 3.523 ( -7.297 -7.229 -1.459) 10.375 4.013 ( 5.995 0.933 -3.233) 6.875 4.175 ( -12.880 -0.789 0.702) 12.923 5.754 ( -7.911 2.514 -1.286) 8.400 6.048 ( -2.430 -0.666 0.475) 2.564 6.308 ( -4.029 0.757 0.869) 4.191 6.763 ( 4.815 3.405 -2.150) 6.277 6.907 ( 10.096 1.186 1.924) 10.346 8.052 ( 6.587 -2.837 2.732) 7.674======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.959 ( -16.411 -3.058 2.574) 16.891 2.130 ( -18.009 -0.168 0.947) 18.034 3.163 ( -5.962 4.817 -1.022) 7.733 3.333 ( -8.917 -4.650 2.496) 10.362 3.813 ( -22.626 -2.527 -0.277) 22.769 4.169 ( 9.643 0.455 -3.601) 10.303 5.626 ( -8.183 0.784 -1.019) 8.284 6.032 ( 0.851 0.402 -0.042) 0.942 6.247 ( -3.257 0.280 0.673) 3.338 6.849 ( 3.386 0.526 -0.773) 3.513 7.109 ( 11.034 1.016 -0.285) 11.084 8.189 ( 9.058 -0.028 2.905) 9.512======================= 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 1.64e-04 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.582 ( -23.260 -0.000 0.000) 23.260 1.824 ( -18.570 -0.000 0.000) 18.570 3.014 ( -28.560 -0.000 0.000) 28.560 3.078 ( -5.566 -0.000 0.000) 5.566 3.450 ( -13.516 -0.000 0.000) 13.516 4.344 ( 10.188 0.000 -0.000) 10.188 5.485 ( -7.896 -0.000 0.000) 7.896 6.083 ( 4.437 0.000 -0.000) 4.437 6.216 ( -0.443 -0.000 0.000) 0.443 6.890 ( 1.342 0.000 -0.000) 1.342 7.308 ( 11.116 0.000 -0.000) 11.116 8.357 ( 8.758 0.000 -0.000) 8.758======================= 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 1.64e-04 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.615 ( 0.000 20.644 7.034) 21.810 1.674 ( 0.000 21.215 5.195) 21.842 2.710 ( -0.000 36.238 0.287) 36.239 2.922 ( -0.000 1.023 -3.200) 3.359 3.371 ( -0.000 11.148 -0.466) 11.158 4.390 ( 0.000 -9.577 -1.149) 9.645 5.334 ( -0.000 6.283 -2.010) 6.597 6.102 ( 0.000 -5.680 -0.527) 5.704 6.258 ( 0.000 -1.458 1.317) 1.965 6.775 ( -0.000 0.863 -8.300) 8.344 7.448 ( 0.000 -11.651 3.341) 12.120 8.476 ( -0.000 -4.660 -2.489) 5.282======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.858 ( 0.538 20.921 7.143) 22.113 1.889 ( 2.853 15.835 0.229) 16.091 2.929 ( 2.590 8.729 -4.994) 10.385 3.109 ( 6.474 15.979 -4.571) 17.836 3.532 ( 3.658 17.120 3.801) 17.914 4.290 ( -0.192 -9.579 1.733) 9.736 5.448 ( 5.453 7.054 -0.383) 8.924 6.044 ( -0.675 -4.031 -0.538) 4.123 6.247 ( -0.432 -0.016 0.686) 0.811 6.761 ( 1.333 -1.653 -6.473) 6.812 7.319 ( -2.407 -11.307 2.867) 11.911 8.364 ( -5.802 -5.059 -3.340) 8.391======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.007 ( -0.021 11.328 -1.245) 11.396 2.194 ( 7.263 19.973 4.537) 21.732 3.094 ( 9.169 5.997 -2.932) 11.341 3.251 ( 0.630 7.514 -7.007) 10.294 3.840 ( 6.725 16.678 1.788) 18.072 4.218 ( 0.734 -6.463 5.887) 8.773 5.642 ( 7.113 7.714 1.861) 10.657 6.000 ( -0.495 -1.416 -1.462) 2.095 6.258 ( 0.552 2.256 -0.201) 2.332 6.735 ( 1.177 -4.346 -5.341) 6.986 7.162 ( -4.065 -10.265 2.821) 11.396 8.170 ( -8.530 -4.665 -4.005) 10.515======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.113 ( 2.156 7.517 -2.419) 8.186 2.535 ( 6.700 19.612 3.685) 21.050 3.265 ( -0.014 5.416 -3.780) 6.605 3.364 ( 11.449 5.499 -0.458) 12.709 3.998 ( 2.251 -0.405 -0.736) 2.403 4.255 ( 1.149 4.269 4.693) 6.448 5.832 ( 4.523 6.881 3.601) 8.988 5.997 ( 1.109 1.524 -2.760) 3.342 6.307 ( 1.175 4.134 -1.339) 4.501 6.685 ( 0.873 -4.948 -4.858) 6.989 6.986 ( -6.339 -8.461 2.431) 10.848 7.984 ( -5.575 -4.035 -2.720) 7.400======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.214 ( 2.694 5.093 -1.972) 6.090 2.827 ( 3.615 17.921 2.384) 18.437 3.274 ( -3.139 4.710 -1.469) 5.847 3.642 ( 11.611 5.552 1.161) 12.923 4.009 ( 3.746 -4.667 3.199) 6.786 4.268 ( -4.765 1.740 -2.257) 5.552 5.954 ( 2.348 4.474 1.183) 5.189 6.051 ( 1.887 4.052 -0.544) 4.503 6.341 ( -0.699 1.562 -2.066) 2.683 6.659 ( 1.332 -1.193 -4.092) 4.465 6.799 ( -7.402 -4.064 2.106) 8.703 7.888 ( 0.002 -4.698 -0.662) 4.745======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.285 ( 1.242 2.788 -1.234) 3.292 3.026 ( -1.449 15.259 1.541) 15.405 3.243 ( -4.564 3.335 0.569) 5.682 3.817 ( 3.369 2.452 -1.360) 4.383 4.055 ( -4.405 -1.197 -5.260) 6.965 4.177 ( 4.461 -2.718 5.888) 7.871 6.026 ( 1.113 3.603 -1.668) 4.124 6.112 ( -0.627 3.517 1.737) 3.972 6.320 ( 1.579 -3.337 -0.726) 3.763 6.615 ( -5.762 3.710 -1.544) 7.025 6.737 ( 0.145 1.357 0.564) 1.477 7.864 ( 3.002 -6.058 -0.001) 6.761======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.301 ( -1.181 0.658 -0.370) 1.402 3.030 ( -12.155 6.815 1.753) 14.045 3.246 ( -0.759 7.310 1.105) 7.432 3.805 ( -8.585 -7.128 -4.502) 12.032 3.874 ( 0.019 1.482 -5.658) 5.849 4.332 ( 5.190 1.304 6.994) 8.807 6.017 ( -5.905 2.533 -1.154) 6.528 6.110 ( -0.142 -0.895 0.668) 1.126 6.360 ( 3.762 -0.343 1.519) 4.072 6.606 ( -0.476 7.264 -1.804) 7.500 6.750 ( -0.240 0.343 1.118) 1.194 7.865 ( 4.216 -5.845 0.062) 7.208======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.256 ( -3.934 -0.554 0.382) 3.991 2.808 ( -17.795 1.821 1.169) 17.927 3.317 ( -1.791 8.746 1.736) 9.094 3.551 ( -7.747 -8.471 -4.657) 12.387 3.917 ( 3.923 0.577 -1.970) 4.428 4.362 ( -5.492 0.776 2.921) 6.269 5.903 ( -7.553 0.541 -0.623) 7.598 6.088 ( -2.001 -0.418 0.408) 2.084 6.393 ( -2.384 1.873 1.016) 3.197 6.710 ( 4.326 4.368 -3.421) 7.036 6.773 ( 4.960 -1.450 3.006) 5.978 7.910 ( 6.315 -2.967 0.539) 6.998======================= 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 1.64e-04 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.153 ( -7.863 -0.000 0.000) 7.863 2.477 ( -20.551 -0.000 0.000) 20.551 3.324 ( -8.088 -0.000 0.000) 8.088 3.378 ( -1.626 -0.000 0.000) 1.626 4.013 ( 7.282 0.000 -0.000) 7.282 4.169 ( -17.038 -0.000 0.000) 17.038 5.771 ( -7.888 -0.000 0.000) 7.888 6.046 ( -2.071 -0.000 0.000) 2.071 6.328 ( -5.204 -0.000 0.000) 5.204 6.787 ( 3.833 0.000 -0.000) 3.833 6.925 ( 10.389 0.000 -0.000) 10.389 8.031 ( 8.751 0.000 -0.000) 8.751======================= 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 1.64e-04 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.023 ( -0.000 16.300 2.207) 16.449 2.051 ( -0.000 13.428 0.397) 13.434 2.930 ( -0.000 1.747 -1.994) 2.651 3.200 ( -0.000 13.835 -10.308) 17.253 3.717 ( 0.000 21.847 5.482) 22.525 4.208 ( 0.000 -7.902 4.552) 9.119 5.466 ( -0.000 7.149 0.327) 7.157 6.016 ( 0.000 -2.173 0.029) 2.173 6.251 ( -0.000 0.411 -0.062) 0.416 6.707 ( -0.000 -3.076 -5.787) 6.554 7.234 ( 0.000 -10.833 1.685) 10.963 8.355 ( -0.000 -5.439 -2.777) 6.107======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.110 ( -1.968 7.633 -3.562) 8.651 2.268 ( 7.165 15.283 2.311) 17.036 2.995 ( 5.541 2.734 -1.161) 6.287 3.277 ( 1.083 6.469 -9.598) 11.625 3.932 ( 1.044 10.089 1.637) 10.275 4.202 ( 0.934 4.501 9.003) 10.109 5.599 ( 6.193 7.085 1.795) 9.580 6.001 ( -0.616 0.315 -0.483) 0.844 6.263 ( 0.603 1.605 -0.701) 1.852 6.656 ( 0.603 -4.974 -4.796) 6.936 7.118 ( -1.858 -9.600 1.126) 9.843 8.240 ( -5.563 -5.034 -2.891) 8.041======================= 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 1.64e-04 3.35e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.143 ( 0.672 4.744 -3.619) 6.005 2.589 ( 10.088 15.431 2.845) 18.654 3.162 ( 10.671 2.186 -0.797) 10.921 3.323 ( 1.200 4.188 -5.152) 6.747 3.952 ( 0.107 -4.006 1.148) 4.169 4.352 ( -0.440 12.886 5.170) 13.891 5.807 ( 7.531 6.475 3.266) 10.455 6.001 ( -0.362 2.548 -2.111) 3.328 6.306 ( 2.191 2.761 -1.107) 3.694 6.596 ( 0.849 -5.973 -4.108) 7.298 6.987 ( -3.252 -8.048 1.003) 8.738 8.064 ( -7.792 -3.703 -2.241) 8.913======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.210 ( 2.648 3.796 -1.979) 5.034 2.915 ( 7.603 15.038 3.121) 17.138 3.335 ( 1.661 4.655 -5.269) 7.225 3.443 ( 14.229 0.755 4.398) 14.912 3.915 ( 1.106 -5.409 1.506) 5.722 4.406 ( -6.352 6.875 -0.786) 9.394 5.960 ( 2.109 4.226 1.193) 4.872 6.045 ( 2.783 3.487 -0.320) 4.473 6.363 ( 0.197 1.961 -2.246) 2.989 6.571 ( 4.518 -3.131 -2.757) 6.149 6.855 ( -4.116 -5.366 0.838) 6.814 7.903 ( -5.853 -2.754 -0.727) 6.510======================= 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 1.64e-04 3.35e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.282 ( 2.101 2.535 -0.850) 3.400 3.156 ( 3.293 11.960 2.526) 12.660 3.348 ( -3.013 3.243 -1.260) 4.603 3.743 ( 11.498 3.602 2.230) 12.254 3.925 ( 8.360 -5.403 2.837) 10.351 4.266 ( -12.183 0.452 -4.546) 13.012 6.016 ( 1.280 3.152 -2.593) 4.278 6.131 ( 3.208 1.372 3.543) 4.973 6.311 ( -3.962 -1.968 -2.162) 4.924 6.668 ( 5.024 2.936 -1.928) 6.130 6.758 ( -2.911 -1.164 0.836) 3.245 7.803 ( -2.133 -3.366 0.198) 3.990======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.319 ( 0.159 0.957 -0.310) 1.018 3.261 ( -6.837 4.495 0.457) 8.195 3.317 ( 0.536 4.327 1.520) 4.618 3.827 ( -0.004 -0.612 0.031) 0.613 3.987 ( -13.676 -0.894 -4.959) 14.574 4.176 ( 14.617 -0.915 3.410) 15.038 6.056 ( 1.377 1.167 -1.556) 2.383 6.169 ( -5.106 0.744 0.988) 5.254 6.256 ( 5.222 -1.971 0.533) 5.607 6.708 ( -2.478 4.028 -0.674) 4.777 6.759 ( 0.655 0.450 0.122) 0.804 7.763 ( 1.462 -3.188 0.118) 3.509======================= 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 1.64e-04 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.306 ( -1.946 -0.000 0.000) 1.946 3.095 ( -13.274 -0.000 0.000) 13.274 3.375 ( 1.120 0.000 -0.000) 1.120 3.675 ( -12.658 -0.000 0.000) 12.658 3.875 ( 0.756 0.000 -0.000) 0.756 4.369 ( 5.833 0.000 -0.000) 5.833 6.028 ( -6.217 -0.000 0.000) 6.217 6.103 ( -0.460 -0.000 0.000) 0.460 6.368 ( 6.075 0.000 -0.000) 6.075 6.711 ( -0.257 -0.000 0.000) 0.257 6.734 ( -1.703 -0.000 0.000) 1.703 7.798 ( 4.424 0.000 -0.000) 4.424======================= 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 1.64e-04 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.195 ( -0.000 2.667 -5.756) 6.343 2.287 ( -0.000 9.757 -2.036) 9.967 2.974 ( -0.000 3.076 0.368) 3.098 3.292 ( -0.000 4.524 -8.226) 9.388 3.960 ( 0.000 -2.881 2.592) 3.875 4.354 ( 0.000 17.455 9.415) 19.832 5.611 ( 0.000 5.971 2.296) 6.397 6.022 ( -0.000 2.742 -0.276) 2.756 6.272 ( -0.000 2.028 -1.428) 2.480 6.581 ( -0.000 -6.103 -3.465) 7.018 7.046 ( 0.000 -8.058 0.031) 8.058 8.230 ( -0.000 -4.973 -2.564) 5.595======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.157 ( -0.748 0.715 -5.628) 5.722 2.491 ( 12.481 6.967 -2.182) 14.460 3.049 ( 4.628 2.828 0.877) 5.494 3.319 ( 1.209 3.081 -4.910) 5.921 3.923 ( -0.642 -4.275 2.618) 5.054 4.540 ( -1.723 14.875 6.291) 16.242 5.738 ( 6.832 4.867 2.655) 8.799 6.047 ( -1.192 4.585 -1.269) 4.904 6.297 ( 1.011 2.136 -1.201) 2.651 6.511 ( 0.513 -6.676 -2.474) 7.138 6.958 ( -1.724 -6.282 -0.296) 6.521 8.133 ( -4.666 -3.786 -2.015) 6.338======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.177 ( 3.135 1.208 -2.796) 4.371 2.823 ( 17.095 6.930 -0.548) 18.454 3.192 ( 9.186 1.449 0.349) 9.306 3.362 ( 1.929 1.701 -1.327) 2.894 3.878 ( -0.868 -3.287 1.668) 3.787 4.603 ( -6.403 8.310 2.084) 10.696 5.928 ( 7.622 3.484 2.444) 8.730 6.063 ( -1.488 4.428 -2.189) 5.159 6.347 ( 2.828 1.675 -0.462) 3.319 6.457 ( 1.852 -5.413 -1.948) 6.044 6.862 ( -2.724 -4.294 -0.208) 5.090 7.996 ( -6.694 -1.966 -0.920) 7.037======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.248 ( 3.679 1.114 -0.757) 3.918 3.150 ( 9.923 6.062 1.034) 11.674 3.387 ( 2.174 3.625 -4.860) 6.441 3.452 ( 17.942 -2.553 5.222) 18.860 3.841 ( -0.452 -2.151 0.612) 2.281 4.494 ( -12.138 2.388 -0.841) 12.399 6.039 ( 0.019 3.959 -2.079) 4.472 6.084 ( 2.701 -0.937 2.411) 3.740 6.360 ( -2.639 -0.213 -1.293) 2.946 6.529 ( 10.062 -0.536 -0.400) 10.084 6.788 ( -2.094 -1.496 -0.072) 2.575 7.864 ( -6.342 -0.941 -0.055) 6.411======================= 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 1.64e-04 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.305 ( 2.041 0.000 -0.000) 2.041 3.295 ( 4.120 0.000 -0.000) 4.120 3.378 ( -3.277 -0.000 0.000) 3.277 3.825 ( 0.023 0.000 -0.000) 0.023 3.838 ( 22.216 0.000 -0.000) 22.216 4.250 ( -15.848 -0.000 0.000) 15.848 6.045 ( 0.085 0.000 -0.000) 0.085 6.148 ( 4.558 0.000 -0.000) 4.558 6.281 ( -5.502 -0.000 0.000) 5.502 6.696 ( 7.353 0.000 -0.000) 7.353 6.754 ( -1.408 -0.000 0.000) 1.408 7.767 ( -3.557 -0.000 0.000) 3.557======================= 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 1.64e-04 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.133 ( -0.000 -2.767 -6.430) 7.000 2.402 ( -0.000 3.810 -2.657) 4.645 3.045 ( 0.000 2.825 1.152) 3.051 3.320 ( -0.000 1.922 -2.933) 3.506 3.900 ( 0.000 -3.168 2.240) 3.880 4.714 ( 0.000 11.343 5.157) 12.460 5.721 ( 0.000 3.195 2.162) 3.858 6.113 ( -0.000 6.278 -1.192) 6.390 6.306 ( -0.000 1.959 -1.451) 2.438 6.428 ( 0.000 -7.472 -0.679) 7.503 6.919 ( -0.000 -4.108 -0.693) 4.166 8.132 ( -0.000 -3.099 -1.588) 3.482======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.114 ( 2.680 -0.962 -2.821) 4.009 2.554 ( 14.197 1.566 -1.603) 14.373 3.106 ( 3.924 1.584 0.759) 4.299 3.340 ( 1.385 0.858 -1.130) 1.983 3.874 ( -0.762 -1.586 1.101) 2.075 4.779 ( -4.039 5.443 2.275) 7.149 5.818 ( 7.094 1.633 1.240) 7.385 6.148 ( -2.654 5.244 -1.561) 6.081 6.321 ( 0.829 -0.188 0.652) 1.072 6.375 ( 1.801 -4.469 -1.036) 4.928 6.869 ( -1.846 -2.117 -0.418) 2.840 8.070 ( -3.785 -1.429 -0.729) 4.111======================= 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 1.64e-04 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.176 ( 4.623 0.000 -0.000) 4.623 2.884 ( 21.019 0.000 -0.000) 21.019 3.214 ( 7.704 0.000 -0.000) 7.704 3.374 ( 1.981 0.000 -0.000) 1.981 3.850 ( -1.178 -0.000 0.000) 1.178 4.696 ( -8.766 -0.000 0.000) 8.766 5.972 ( 7.950 0.000 -0.000) 7.950 6.112 ( -3.492 -0.000 0.000) 3.492 6.370 ( 5.932 0.000 -0.000) 5.932 6.378 ( 0.367 0.000 -0.000) 0.367 6.818 ( -2.438 -0.000 0.000) 2.438 7.973 ( -6.156 -0.000 0.000) 6.156======================= 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 1.64e-04 3.35e-04 Number of triplets: 400Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.073 ( 0.000 0.000 0.000) 0.000 2.429 ( 0.000 0.000 0.000) 0.000 3.080 ( 0.000 0.000 0.000) 0.000 3.330 ( 0.000 0.000 0.000) 0.000 3.875 ( 0.000 0.000 0.000) 0.000 4.848 ( 0.000 0.000 0.000) 0.000 5.761 ( 0.000 0.000 0.000) 0.000 6.217 ( 0.000 0.000 0.000) 0.000 6.307 ( 0.000 0.000 0.000) 0.000 6.322 ( 0.000 0.000 0.000) 0.000 6.875 ( 0.000 0.000 0.000) 0.000 8.094 ( 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 1.64e-04 3.35e-04 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.253 ( 0.000 0.000 25.519) 25.519 0.253 ( 0.000 0.000 25.519) 25.519 0.412 ( 0.000 0.000 41.737) 41.737 2.924 ( -0.000 -0.000 -1.450) 1.450 2.924 ( -0.000 -0.000 -1.450) 1.450 5.180 ( -0.000 -0.000 -1.122) 1.122 5.180 ( -0.000 -0.000 -1.122) 1.122 5.268 ( -0.000 -0.000 -6.723) 6.723 6.339 ( 0.000 0.000 0.778) 0.778 6.339 ( 0.000 0.000 0.778) 0.778 7.861 ( 0.000 0.000 3.337) 3.337 8.542 ( -0.000 -0.000 -0.956) 0.956======================= 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 1.64e-04 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.507 ( 16.543 9.551 9.045) 21.136 0.567 ( 15.969 9.220 13.686) 22.964 1.152 ( 35.643 20.579 19.472) 45.531 2.934 ( 0.890 0.514 -1.200) 1.580 2.982 ( 5.069 2.927 -3.011) 6.582 4.709 ( -4.359 -2.516 -0.633) 5.073 5.220 ( 2.934 1.694 -0.103) 3.390 6.312 ( -2.091 -1.207 0.343) 2.439 6.319 ( -1.494 -0.863 0.179) 1.734 6.599 ( 18.968 10.951 -35.573) 41.775 7.817 ( -4.980 -2.875 4.730) 7.446 8.570 ( -1.033 -0.596 -5.581) 5.707======================= 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 1.64e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.953 ( 19.477 11.245 2.232) 22.600 1.006 ( 18.446 10.650 3.333) 21.559 2.010 ( 32.996 19.050 8.314) 38.997 2.957 ( 1.348 0.778 -0.856) 1.776 3.144 ( 9.499 5.484 -1.193) 11.033 4.607 ( -4.328 -2.499 -1.669) 5.269 5.312 ( 4.792 2.766 0.855) 5.599 6.248 ( -4.574 -2.641 0.684) 5.325 6.252 ( -2.784 -1.607 -0.196) 3.220 6.783 ( 7.237 4.178 -13.664) 16.016 7.676 ( -8.285 -4.783 5.761) 11.167 8.468 ( -5.665 -3.271 -7.465) 9.925======================= 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 1.64e-04 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.410 ( 19.275 11.128 -0.606) 22.265 1.427 ( 17.306 9.992 -2.798) 20.178 2.696 ( 24.520 14.157 -3.574) 28.538 2.989 ( 1.554 0.897 -0.385) 1.835 3.422 ( 13.816 7.977 5.050) 16.734 4.500 ( -4.701 -2.714 1.579) 5.653 5.439 ( 5.421 3.130 1.803) 6.514 6.130 ( -5.085 -2.936 0.483) 5.892 6.196 ( -1.552 -0.896 -0.924) 2.017 6.876 ( 2.939 1.697 -5.459) 6.428 7.481 ( -9.999 -5.773 6.180) 13.096 8.280 ( -7.174 -4.142 -10.356) 13.262======================= 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 1.64e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.781 ( 14.228 8.215 -6.572) 17.695 1.832 ( 17.037 9.836 -2.161) 19.791 3.024 ( 1.376 0.794 0.220) 1.604 3.138 ( 16.253 9.384 -8.655) 20.667 3.778 ( 13.306 7.682 6.484) 16.677 4.405 ( -4.487 -2.591 6.735) 8.497 5.560 ( 3.969 2.291 2.598) 5.268 6.042 ( -2.156 -1.245 0.282) 2.505 6.189 ( 1.551 0.896 -1.652) 2.437 6.866 ( -2.541 -1.467 -3.133) 4.292 7.241 ( -12.337 -7.123 3.981) 14.791 8.116 ( -3.191 -1.842 -9.087) 9.805======================= 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 1.64e-04 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.041 ( 10.025 5.788 -7.404) 13.742 2.177 ( 13.082 7.553 -2.855) 15.374 3.051 ( 0.729 0.421 0.822) 1.176 3.443 ( 12.668 7.314 -7.589) 16.479 4.022 ( 6.198 3.578 2.405) 7.550 4.335 ( -4.322 -2.495 10.982) 12.063 5.632 ( 1.604 0.926 2.635) 3.220 6.041 ( 2.029 1.171 -0.663) 2.435 6.253 ( 4.040 2.332 -1.740) 4.978 6.763 ( -5.037 -2.908 -0.632) 5.850 6.940 ( -13.011 -7.512 -1.580) 15.107 8.078 ( 1.133 0.654 -4.187) 4.387======================= 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 1.64e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.202 ( 5.763 3.327 -5.422) 8.584 2.414 ( 7.782 4.493 -2.535) 9.337 3.061 ( -0.177 -0.102 1.031) 1.051 3.678 ( 9.694 5.597 -9.206) 14.493 4.106 ( 0.848 0.490 -1.281) 1.612 4.258 ( -5.337 -3.081 14.358) 15.625 5.659 ( 0.202 0.117 1.948) 1.962 6.115 ( 4.268 2.464 -1.965) 5.306 6.341 ( 3.327 1.921 -1.218) 4.030 6.611 ( -9.478 -5.472 3.480) 11.484 6.717 ( -2.998 -1.731 -4.416) 5.612 8.107 ( 1.621 0.936 -1.379) 2.325======================= 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 1.64e-04 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.281 ( 2.064 1.192 -1.784) 2.977 2.514 ( 1.172 0.677 -0.884) 1.616 3.052 ( -0.633 -0.366 0.285) 0.785 3.833 ( 6.888 3.977 -12.021) 14.414 4.000 ( -8.008 -4.624 -4.543) 10.303 4.248 ( -0.916 -0.529 15.963) 15.998 5.659 ( -0.599 -0.346 0.996) 1.212 6.201 ( 1.904 1.099 0.128) 2.202 6.383 ( 0.381 0.220 -0.550) 0.704 6.447 ( -2.523 -1.457 -2.100) 3.591 6.712 ( 2.034 1.174 2.333) 3.310 8.130 ( 0.508 0.293 -0.299) 0.658======================= 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 1.64e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.284 ( -2.165 -1.250 2.471) 3.515 2.457 ( -6.207 -3.584 1.569) 7.337 3.038 ( -0.428 -0.247 -1.120) 1.225 3.774 ( -9.468 -5.466 -3.242) 11.403 3.944 ( 6.089 3.515 -9.941) 12.176 4.236 ( -4.594 -2.653 8.610) 10.113 5.637 ( -1.392 -0.804 -0.138) 1.613 6.144 ( -5.110 -2.950 0.745) 5.947 6.355 ( -2.553 -1.474 0.180) 2.953 6.537 ( 8.755 5.055 -3.344) 10.648 6.812 ( 5.434 3.137 4.483) 7.711 8.137 ( 0.283 0.163 1.444) 1.480======================= 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 1.64e-04 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.179 ( -8.347 -4.819 5.882) 11.291 2.243 ( -12.646 -7.301 3.417) 14.997 3.023 ( -0.493 -0.284 -1.907) 1.990 3.551 ( -9.684 -5.591 1.783) 11.323 4.017 ( -7.097 -4.097 2.487) 8.564 4.110 ( 2.151 1.242 -10.253) 10.550 5.590 ( -2.569 -1.483 -1.458) 3.306 6.043 ( -2.814 -1.625 -0.437) 3.279 6.282 ( -3.415 -1.972 1.010) 4.071 6.735 ( 7.979 4.607 -2.942) 9.672 6.987 ( 8.322 4.805 2.617) 9.959 8.173 ( 2.375 1.371 4.823) 5.548======================= 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 1.64e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.903 ( -17.356 -10.020 4.636) 20.570 1.927 ( -14.962 -8.639 7.294) 18.754 3.001 ( -0.803 -0.464 -2.003) 2.207 3.283 ( -16.798 -9.698 5.045) 20.042 3.678 ( -15.792 -9.117 -3.080) 18.493 4.255 ( 8.850 5.110 -7.296) 12.557 5.505 ( -4.159 -2.401 -2.625) 5.473 6.031 ( 1.994 1.151 -0.740) 2.419 6.224 ( -1.557 -0.899 1.688) 2.466 6.864 ( 3.853 2.225 -3.276) 5.526 7.198 ( 9.238 5.333 -0.138) 10.668 8.286 ( 5.382 3.107 7.120) 9.451======================= 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 1.64e-04 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.479 ( -20.144 -11.630 5.978) 24.017 1.544 ( -19.679 -11.362 7.594) 23.959 2.710 ( -31.907 -18.422 -0.763) 36.851 2.974 ( -0.938 -0.542 -1.879) 2.169 3.381 ( -9.818 -5.668 -0.285) 11.340 4.441 ( 8.220 4.746 -3.635) 10.164 5.387 ( -4.852 -2.802 -3.096) 6.401 6.117 ( 5.076 2.931 -0.839) 5.921 6.225 ( 1.014 0.585 1.828) 2.171 6.900 ( 0.487 0.281 -3.294) 3.342 7.414 ( 9.278 5.356 -0.450) 10.722 8.445 ( 5.814 3.357 5.577) 8.728======================= 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 1.64e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.019 ( -21.097 -12.180 8.308) 25.738 1.079 ( -22.013 -12.709 8.170) 26.699 1.871 ( -38.391 -22.165 -2.883) 44.423 2.948 ( -0.757 -0.437 -1.751) 1.957 3.175 ( -8.217 -4.744 0.692) 9.513 4.599 ( 5.947 3.434 -1.926) 7.132 5.273 ( -3.840 -2.217 -2.846) 5.269 6.233 ( 4.629 2.672 -0.757) 5.398 6.271 ( 2.141 1.236 1.566) 2.927 6.883 ( -0.653 -0.377 -4.978) 5.035 7.622 ( 8.316 4.801 0.884) 9.644 8.570 ( 3.618 2.089 1.888) 4.584======================= 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 1.64e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.679 ( 0.000 24.929 10.075) 26.888 0.723 ( 0.000 19.839 17.509) 26.460 1.106 ( 0.000 34.378 22.414) 41.039 2.907 ( -0.000 0.105 -2.887) 2.889 2.996 ( -0.000 6.850 -2.330) 7.235 4.696 ( -0.000 -6.865 -1.213) 6.972 5.175 ( -0.000 1.594 -2.625) 3.071 6.312 ( 0.000 -2.949 0.242) 2.959 6.335 ( 0.000 -1.486 1.600) 2.183 6.478 ( -0.000 27.574 -36.503) 45.747 7.831 ( 0.000 -6.026 5.337) 8.050 8.575 ( -0.000 1.118 -5.149) 5.269======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.937 ( 0.995 20.091 15.496) 25.392 1.024 ( 6.089 25.119 3.768) 26.120 1.776 ( 23.363 29.722 11.295) 39.456 2.932 ( 2.859 0.970 -2.187) 3.728 3.089 ( 3.234 8.323 -2.058) 9.163 4.609 ( -1.637 -5.487 -3.170) 6.545 5.246 ( 5.371 2.384 -1.487) 6.061 6.259 ( -1.731 -4.354 -0.220) 4.691 6.297 ( -2.645 -1.853 1.440) 3.536 6.658 ( 6.940 10.048 -19.649) 23.134 7.738 ( -4.127 -8.295 5.975) 11.024 8.517 ( -4.701 -1.477 -5.935) 7.713======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.267 ( 9.272 17.736 8.624) 21.793 1.395 ( 8.453 21.564 -0.745) 23.174 2.459 ( 21.330 21.950 -1.276) 30.634 2.993 ( 1.566 3.693 -1.091) 4.157 3.294 ( 11.005 8.628 2.987) 14.299 4.514 ( -1.879 -5.470 -1.164) 5.900 5.381 ( 6.230 4.131 0.055) 7.475 6.165 ( -3.196 -4.962 -0.492) 5.923 6.231 ( -3.157 -0.853 0.842) 3.377 6.792 ( 5.865 3.317 -9.359) 11.533 7.573 ( -6.623 -9.165 6.429) 13.007 8.349 ( -8.449 -3.208 -8.526) 12.424======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.630 ( 11.036 13.936 0.922) 17.800 1.749 ( 9.895 18.224 -1.980) 20.831 2.940 ( 15.751 13.843 -8.332) 22.565 3.047 ( 0.059 5.067 -1.294) 5.230 3.643 ( 14.338 9.362 7.133) 18.550 4.432 ( -1.521 -5.414 3.267) 6.504 5.534 ( 4.987 5.491 1.529) 7.574 6.064 ( -2.686 -3.397 -0.464) 4.356 6.191 ( -1.162 1.024 -0.332) 1.584 6.848 ( 1.508 -1.248 -5.258) 5.611 7.366 ( -9.072 -9.428 5.929) 14.365 8.142 ( -6.708 -2.872 -9.418) 11.914======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.917 ( 9.165 9.384 -4.958) 14.022 2.092 ( 9.610 16.001 -1.119) 18.699 3.080 ( -0.880 4.309 -0.360) 4.413 3.287 ( 12.824 10.712 -7.452) 18.296 3.948 ( 8.635 5.526 3.505) 10.835 4.376 ( -1.117 -4.982 8.005) 9.495 5.659 ( 1.531 6.085 2.588) 6.788 6.018 ( 0.437 -0.963 -0.949) 1.421 6.217 ( 2.087 2.764 -1.228) 3.675 6.794 ( -2.438 -3.086 -4.011) 5.618 7.090 ( -13.046 -9.246 2.139) 16.132 8.038 ( 0.158 -1.632 -5.372) 5.617======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.114 ( 6.724 5.781 -5.636) 10.507 2.379 ( 6.069 13.701 -1.586) 15.069 3.096 ( -1.674 3.130 0.523) 3.588 3.559 ( 9.345 8.927 -7.337) 14.861 4.080 ( 2.752 1.026 0.470) 2.975 4.329 ( -2.296 -4.934 10.818) 12.110 5.725 ( -2.033 6.601 2.538) 7.359 6.050 ( 3.681 0.459 -2.018) 4.223 6.297 ( 3.645 2.800 -1.104) 4.727 6.714 ( -2.002 -1.491 -1.573) 2.951 6.772 ( -12.860 -7.345 -0.850) 14.834 8.050 ( 3.424 -1.836 -1.808) 4.285======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.235 ( 3.917 2.936 -3.874) 6.243 2.558 ( 0.418 10.947 -1.256) 11.027 3.088 ( -2.295 1.982 0.854) 3.150 3.735 ( 5.508 6.164 -10.383) 13.272 4.053 ( -4.466 -3.518 -4.732) 7.396 4.304 ( -0.201 -2.355 16.010) 16.183 5.744 ( -4.227 6.692 1.758) 8.109 6.131 ( 5.302 0.425 -1.478) 5.521 6.376 ( 2.518 2.282 -0.602) 3.452 6.515 ( -8.652 -4.327 -1.680) 9.819 6.700 ( 0.799 0.620 1.405) 1.731 8.082 ( 3.106 -2.789 -0.705) 4.234======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.285 ( 0.926 0.036 -0.959) 1.333 2.592 ( -6.929 6.575 0.774) 9.583 3.070 ( -2.047 2.196 -0.150) 3.006 3.810 ( 0.167 1.272 -16.207) 16.258 3.891 ( -3.170 -3.245 0.468) 4.561 4.327 ( -2.812 -0.898 12.868) 13.202 5.727 ( -5.391 5.799 0.761) 7.954 6.177 ( -0.916 -3.173 1.093) 3.479 6.363 ( -1.668 -1.557 -1.425) 2.690 6.478 ( 3.837 5.782 -2.469) 7.366 6.760 ( 4.084 1.152 3.688) 5.622 8.097 ( 2.582 -3.379 0.162) 4.255======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.252 ( -3.436 -3.282 2.210) 5.241 2.450 ( -13.883 0.598 2.969) 14.210 3.063 ( -2.139 3.858 -1.370) 4.619 3.640 ( -7.119 -5.204 -4.891) 10.084 3.956 ( 6.442 2.824 -6.214) 9.386 4.224 ( -11.001 -3.090 6.267) 13.033 5.677 ( -6.088 3.948 -0.321) 7.263 6.083 ( -4.120 -2.719 -0.067) 4.937 6.319 ( -2.500 -1.539 0.280) 2.949 6.644 ( 7.321 6.550 -3.244) 10.346 6.890 ( 7.624 1.795 3.550) 8.599 8.124 ( 3.990 -2.566 2.409) 5.321======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.093 ( -11.592 -7.192 5.410) 14.676 2.163 ( -16.997 -2.959 2.877) 17.491 3.053 ( -3.341 4.360 -1.996) 5.844 3.449 ( -8.867 -5.488 0.803) 10.459 3.907 ( -19.777 -6.486 1.620) 20.876 4.111 ( 9.278 3.442 -6.736) 11.971 5.591 ( -6.745 1.794 -1.355) 7.110 6.022 ( -0.641 0.012 -0.645) 0.909 6.256 ( -2.786 -1.013 1.082) 3.155 6.799 ( 5.294 3.484 -3.698) 7.338 7.074 ( 9.655 2.616 1.354) 10.094 8.214 ( 6.767 -0.541 4.601) 8.201======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.717 ( -20.570 -10.533 6.387) 23.976 1.856 ( -17.802 -3.039 3.224) 18.345 3.015 ( -5.354 1.951 -3.396) 6.634 3.120 ( -24.650 -6.906 2.775) 25.749 3.513 ( -13.762 -5.691 -1.219) 14.942 4.304 ( 10.199 3.316 -3.305) 11.223 5.472 ( -7.204 0.445 -1.992) 7.488 6.059 ( 3.723 1.827 -0.804) 4.224 6.224 ( -0.444 -0.374 1.480) 1.589 6.872 ( 2.040 1.134 -4.001) 4.632 7.281 ( 10.424 2.743 0.617) 10.796 8.362 ( 7.879 0.452 3.680) 8.708======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.253 ( -21.982 -10.867 7.300) 25.585 1.480 ( -22.990 -2.832 2.769) 23.329 2.425 ( -39.597 -7.265 -0.006) 40.258 2.984 ( -3.325 1.911 -1.267) 4.039 3.285 ( -8.987 -3.317 -0.314) 9.585 4.493 ( 8.571 2.314 -1.533) 9.009 5.348 ( -6.469 0.560 -1.855) 6.753 6.162 ( 5.621 1.847 -0.866) 5.980 6.240 ( 1.982 -0.442 1.461) 2.502 6.878 ( -0.514 0.578 -5.068) 5.127 7.494 ( 10.505 2.129 1.764) 10.863 8.496 ( 6.345 -0.530 0.134) 6.369======================= 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 1.64e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.227 ( 0.000 20.302 11.504) 23.334 1.234 ( 0.000 23.905 7.575) 25.076 1.954 ( 0.000 37.924 9.769) 39.162 2.893 ( -0.000 0.655 -3.605) 3.665 3.156 ( -0.000 9.954 -1.986) 10.150 4.547 ( -0.000 -6.803 -3.451) 7.628 5.216 ( -0.000 4.346 -2.549) 5.038 6.220 ( 0.000 -5.730 -0.461) 5.749 6.305 ( 0.000 -2.371 1.615) 2.869 6.645 ( -0.000 9.689 -16.240) 18.911 7.695 ( 0.000 -10.794 5.755) 12.232 8.529 ( -0.000 -1.945 -5.459) 5.796======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.452 ( -0.202 21.421 11.821) 24.467 1.520 ( 3.207 21.162 1.883) 21.487 2.440 ( 9.635 30.565 -0.227) 32.049 2.954 ( 6.014 2.800 -1.918) 6.905 3.275 ( 3.064 10.866 0.707) 11.312 4.462 ( -0.390 -7.143 -1.825) 7.382 5.315 ( 5.661 5.470 -1.294) 7.978 6.147 ( -1.364 -5.863 -0.488) 6.039 6.269 ( -1.831 -1.673 1.240) 2.773 6.712 ( 3.585 4.608 -10.313) 11.850 7.570 ( -3.007 -11.775 5.466) 13.325 8.430 ( -6.180 -3.017 -6.510) 9.469======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.707 ( 1.657 18.197 5.452) 19.068 1.804 ( 6.335 19.729 1.368) 20.767 2.837 ( 10.461 17.838 -8.116) 22.214 3.083 ( 2.628 6.066 -3.246) 7.364 3.540 ( 11.391 12.903 6.323) 18.337 4.385 ( 0.052 -7.124 1.698) 7.324 5.493 ( 7.119 6.957 0.519) 9.967 6.061 ( -1.904 -4.530 -0.812) 4.981 6.231 ( -1.723 0.435 0.516) 1.851 6.771 ( 3.257 -0.615 -6.494) 7.291 7.399 ( -4.917 -11.600 5.343) 13.685 8.231 ( -9.313 -3.205 -7.678) 12.488======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.907 ( 3.575 12.055 -1.518) 12.665 2.139 ( 7.051 20.311 2.839) 21.686 3.141 ( 1.738 6.528 -2.242) 7.118 3.167 ( 9.967 11.849 -6.887) 16.946 3.868 ( 9.268 9.038 2.728) 13.229 4.338 ( 0.953 -6.254 5.731) 8.536 5.685 ( 5.018 8.082 2.284) 9.784 5.999 ( -0.515 -2.144 -1.623) 2.738 6.230 ( -0.154 2.917 -0.481) 2.961 6.759 ( 0.407 -3.826 -5.400) 6.630 7.191 ( -8.231 -10.630 3.992) 14.024 8.039 ( -5.400 -2.604 -5.914) 8.421======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.071 ( 4.400 8.147 -3.252) 9.814 2.454 ( 4.910 19.157 1.683) 19.848 3.171 ( -1.815 4.961 -1.284) 5.436 3.470 ( 10.650 10.798 -4.090) 15.708 4.037 ( 3.948 2.045 0.025) 4.447 4.317 ( 0.234 -5.347 6.729) 8.598 5.830 ( 0.948 8.353 3.143) 8.975 5.995 ( 1.932 0.233 -2.557) 3.213 6.277 ( 1.638 3.578 -1.030) 4.068 6.697 ( -0.589 -3.402 -4.927) 6.016 6.926 ( -11.704 -7.667 1.943) 14.126 7.967 ( 1.369 -3.172 -2.146) 4.067======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.198 ( 3.399 5.168 -3.127) 6.931 2.694 ( 0.810 17.207 0.682) 17.239 3.171 ( -3.185 3.823 0.440) 4.995 3.693 ( 5.121 8.236 -6.101) 11.458 4.066 ( -1.681 -1.406 -3.592) 4.207 4.290 ( 2.072 -5.438 10.430) 11.944 5.906 ( -2.928 8.378 2.060) 9.111 6.048 ( 3.782 1.593 -2.011) 4.570 6.340 ( 2.883 1.325 -0.501) 3.212 6.610 ( -6.437 -3.689 -4.470) 8.661 6.725 ( -3.655 -0.271 2.588) 4.487 7.976 ( 3.885 -4.644 -0.556) 6.080======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.269 ( 1.315 2.273 -2.148) 3.392 2.816 ( -5.862 13.640 1.181) 14.893 3.147 ( -3.302 3.340 0.941) 4.790 3.782 ( 0.744 4.898 -10.376) 11.498 3.923 ( -6.046 -5.838 -3.956) 9.289 4.362 ( 3.154 -1.326 12.082) 12.557 5.911 ( -6.140 7.527 0.818) 9.748 6.127 ( 3.468 -0.260 -0.033) 3.478 6.383 ( 0.032 -1.544 -0.588) 1.652 6.482 ( -1.725 3.473 -1.963) 4.346 6.734 ( 1.162 1.234 1.970) 2.599 7.990 ( 3.927 -5.756 -0.297) 6.974======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.272 ( -1.449 -0.687 -0.587) 1.708 2.744 ( -14.251 5.802 2.919) 15.661 3.153 ( -2.121 6.600 0.075) 6.933 3.674 ( -6.227 -5.049 -9.738) 12.613 3.879 ( 3.186 1.454 -2.448) 4.273 4.379 ( -4.928 -0.869 8.039) 9.469 5.852 ( -7.766 4.876 0.237) 9.173 6.117 ( -2.340 -2.610 0.289) 3.517 6.353 ( -2.013 1.501 0.148) 2.516 6.585 ( 5.819 6.056 -3.375) 9.051 6.797 ( 4.696 0.153 3.195) 5.682 8.007 ( 4.917 -5.391 0.570) 7.319======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.193 ( -5.726 -3.226 0.962) 6.642 2.483 ( -19.228 0.083 3.085) 19.474 3.178 ( -4.069 7.899 -0.625) 8.908 3.496 ( -4.720 -6.210 -4.083) 8.804 3.979 ( 6.914 2.548 -3.253) 8.054 4.200 ( -15.946 -2.498 3.933) 16.613 5.749 ( -8.200 2.508 0.097) 8.576 6.048 ( -2.710 -0.576 -0.588) 2.832 6.315 ( -3.927 0.784 0.518) 4.038 6.731 ( 5.481 4.224 -4.020) 8.003 6.930 ( 8.956 0.299 2.554) 9.318 8.074 ( 7.635 -3.357 1.692) 8.510======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.986 ( -15.166 -5.295 2.745) 16.296 2.140 ( -18.371 -1.142 1.253) 18.449 3.147 ( -6.691 5.373 -2.145) 8.845 3.340 ( -7.321 -4.966 -1.227) 8.931 3.815 ( -23.546 -2.731 0.699) 23.714 4.151 ( 9.538 2.694 0.040) 9.911 5.621 ( -8.556 1.380 0.039) 8.667 6.027 ( 0.807 0.647 -0.927) 1.389 6.253 ( -3.065 -0.232 0.589) 3.130 6.828 ( 3.453 1.984 -3.422) 5.251 7.116 ( 10.661 0.693 1.531) 10.793 8.206 ( 9.392 -1.922 0.537) 9.602======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.599 ( -22.633 -3.534 3.415) 23.160 1.819 ( -18.648 -1.770 -0.996) 18.758 2.979 ( -23.682 0.750 -5.824) 24.399 3.095 ( -8.995 -1.098 2.062) 9.293 3.458 ( -14.432 1.136 1.742) 14.582 4.350 ( 9.697 1.917 1.291) 9.969 5.486 ( -8.126 1.212 0.189) 8.218 6.079 ( 4.470 0.468 -0.758) 4.558 6.219 ( -0.299 -0.918 0.510) 1.092 6.874 ( 1.005 1.619 -3.224) 3.745 7.320 ( 11.283 0.179 2.376) 11.532 8.341 ( 8.595 -2.629 -3.102) 9.508======================= 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 1.64e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.678 ( 0.000 18.547 5.576) 19.367 1.718 ( 0.000 19.585 4.048) 19.999 2.701 ( -0.000 31.349 -2.747) 31.469 2.891 ( -0.000 1.384 -3.008) 3.311 3.378 ( 0.000 13.313 2.379) 13.524 4.385 ( 0.000 -7.687 -0.053) 7.687 5.319 ( -0.000 6.925 -0.867) 6.979 6.099 ( 0.000 -5.516 -0.009) 5.516 6.268 ( 0.000 -1.827 0.718) 1.963 6.692 ( -0.000 2.937 -8.354) 8.855 7.485 ( 0.000 -12.823 4.278) 13.517 8.433 ( -0.000 -3.657 -6.031) 7.053======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.880 ( -0.255 14.166 -1.320) 14.230 1.927 ( 3.646 19.137 6.080) 20.408 2.878 ( 1.490 12.185 -5.346) 13.390 3.049 ( 6.663 10.051 -7.216) 14.053 3.584 ( 4.018 18.170 6.513) 19.716 4.314 ( 0.218 -7.237 3.126) 7.886 5.449 ( 5.901 7.803 0.583) 9.800 6.041 ( -1.046 -4.010 -0.053) 4.144 6.250 ( -0.448 -0.484 0.053) 0.662 6.699 ( 1.663 -0.657 -6.071) 6.329 7.350 ( -2.046 -12.504 3.455) 13.133 8.317 ( -6.292 -3.840 -6.256) 9.668======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.986 ( 0.291 9.881 -2.857) 10.290 2.242 ( 6.983 19.625 5.062) 21.437 3.067 ( 9.296 8.339 -2.451) 12.726 3.178 ( 2.292 7.170 -7.774) 10.821 3.860 ( 4.867 13.371 2.144) 14.389 4.280 ( 1.091 -4.162 6.438) 7.744 5.662 ( 7.722 8.477 2.189) 11.674 5.988 ( -1.171 -1.797 -1.061) 2.393 6.254 ( 0.369 1.816 -0.677) 1.973 6.684 ( 1.211 -3.953 -4.967) 6.463 7.190 ( -3.634 -11.394 2.946) 12.317 8.123 ( -8.585 -3.114 -5.457) 10.639======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.088 ( 2.377 7.562 -2.476) 8.305 2.574 ( 6.035 19.484 4.178) 20.821 3.226 ( 1.106 4.779 -4.207) 6.462 3.360 ( 12.101 8.488 -0.334) 14.785 3.991 ( 2.612 1.036 -0.576) 2.868 4.301 ( -0.389 0.683 4.485) 4.553 5.869 ( 4.586 7.118 3.747) 9.259 5.970 ( 0.905 1.366 -2.718) 3.173 6.293 ( 0.961 3.641 -1.504) 4.055 6.638 ( 0.833 -4.415 -4.502) 6.360 7.007 ( -6.343 -9.156 1.934) 11.305 7.957 ( -4.831 -2.725 -2.718) 6.176======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.195 ( 2.659 5.684 -1.762) 6.518 2.855 ( 2.767 18.078 3.184) 18.564 3.259 ( -1.608 4.680 -1.548) 5.185 3.646 ( 9.511 7.546 -0.306) 12.145 4.032 ( 4.116 -2.673 1.117) 5.033 4.257 ( -4.180 -2.678 0.204) 4.969 5.956 ( 1.729 2.106 -0.738) 2.823 6.056 ( 2.171 6.621 1.460) 7.119 6.322 ( -0.248 0.945 -1.708) 1.967 6.619 ( 1.102 -0.243 -3.982) 4.139 6.818 ( -6.936 -4.357 1.684) 8.363 7.883 ( 0.394 -4.121 -0.423) 4.161======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.272 ( 1.201 3.467 -1.348) 3.909 3.046 ( -1.923 15.454 2.517) 15.775 3.250 ( -3.796 3.471 0.851) 5.214 3.796 ( 1.845 4.694 -3.117) 5.929 3.987 ( -8.874 -2.326 -7.171) 11.644 4.252 ( 9.439 -4.482 8.096) 13.219 6.009 ( 1.799 2.446 -1.525) 3.398 6.127 ( -1.854 4.447 1.324) 4.997 6.317 ( 2.772 -2.960 0.038) 4.056 6.596 ( -4.991 4.537 -2.309) 7.130 6.745 ( -0.273 0.752 1.029) 1.303 7.864 ( 2.897 -5.871 0.004) 6.547======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.294 ( -0.990 1.187 -0.926) 1.802 3.051 ( -11.840 6.123 2.553) 13.572 3.262 ( -1.045 7.976 2.066) 8.305 3.733 ( -10.424 -3.798 -9.012) 14.293 3.847 ( 1.496 1.061 -1.081) 2.129 4.394 ( 4.983 -1.587 5.731) 7.759 6.011 ( -5.318 2.267 -0.174) 5.783 6.112 ( -0.236 -1.012 -0.271) 1.073 6.373 ( 3.757 -0.061 1.136) 3.925 6.586 ( -1.406 7.552 -2.107) 7.965 6.761 ( 0.685 0.114 1.129) 1.325 7.866 ( 4.319 -5.757 0.034) 7.197======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.255 ( -3.640 -0.501 -0.577) 3.720 2.825 ( -17.725 0.467 2.267) 17.876 3.336 ( -2.230 9.445 2.316) 9.978 3.502 ( -7.097 -6.139 -5.258) 10.757 3.903 ( 3.747 1.871 -0.886) 4.281 4.387 ( -5.779 -1.836 2.087) 6.413 5.904 ( -7.489 0.643 0.765) 7.556 6.086 ( -2.037 -0.480 -0.731) 2.216 6.399 ( -2.601 1.346 0.136) 2.932 6.674 ( 3.964 5.148 -3.824) 7.539 6.801 ( 5.312 -1.777 2.685) 6.212 7.913 ( 6.595 -3.298 0.193) 7.376======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.148 ( -7.775 -0.996 -1.004) 7.903 2.484 ( -20.575 -1.471 1.365) 20.673 3.317 ( -7.269 -2.346 -1.327) 7.752 3.375 ( -3.175 4.142 -0.493) 5.242 4.011 ( 5.450 1.585 -0.450) 5.694 4.181 ( -14.568 -1.154 2.291) 14.792 5.779 ( -7.931 0.253 1.537) 8.083 6.040 ( -2.057 0.152 -1.260) 2.417 6.326 ( -5.064 -0.508 -0.486) 5.113 6.770 ( 4.045 2.118 -3.137) 5.540 6.936 ( 10.183 -1.265 2.125) 10.479 8.025 ( 8.447 -1.244 -1.211) 8.624======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.937 ( -15.874 0.403 -1.849) 15.987 2.122 ( -18.868 -0.892 -0.575) 18.898 3.167 ( -5.828 -3.883 -0.250) 7.007 3.294 ( -11.050 3.894 -5.298) 12.858 3.822 ( -19.577 2.559 1.548) 19.804 4.217 ( 8.468 1.767 5.808) 10.419 5.641 ( -8.236 -0.242 1.877) 8.450 6.027 ( 1.086 0.033 -0.930) 1.430 6.241 ( -3.198 -0.879 -0.593) 3.369 6.841 ( 3.376 0.978 -2.264) 4.180 7.122 ( 11.520 -1.496 2.398) 11.861 8.151 ( 8.147 -1.709 -4.811) 9.614======================= 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 1.64e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.033 ( -0.000 14.587 -0.056) 14.587 2.041 ( -0.000 11.031 -2.330) 11.274 2.916 ( -0.000 2.544 -0.860) 2.686 3.091 ( -0.000 13.535 -11.408) 17.701 3.778 ( 0.000 20.267 6.765) 21.367 4.264 ( 0.000 -4.765 6.411) 7.988 5.475 ( 0.000 7.913 1.435) 8.042 6.019 ( 0.000 -2.246 0.395) 2.281 6.247 ( -0.000 -0.119 -0.754) 0.763 6.655 ( -0.000 -2.216 -4.726) 5.220 7.251 ( 0.000 -11.958 1.762) 12.087 8.313 ( -0.000 -4.283 -5.645) 7.086======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.067 ( -1.818 6.598 -5.196) 8.593 2.279 ( 9.174 13.308 -0.153) 16.164 2.989 ( 5.159 3.540 -0.089) 6.258 3.188 ( 1.976 8.353 -8.308) 11.945 3.954 ( -0.138 8.106 2.715) 8.550 4.291 ( 0.375 5.838 8.856) 10.614 5.620 ( 6.440 7.621 2.384) 10.258 5.997 ( -1.139 -0.040 -0.272) 1.171 6.254 ( 0.713 1.259 -1.237) 1.904 6.614 ( 0.455 -4.286 -3.548) 5.582 7.127 ( -1.491 -10.561 0.779) 10.694 8.202 ( -5.533 -3.778 -4.805) 8.245======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.106 ( 1.719 4.845 -3.816) 6.403 2.608 ( 11.802 13.975 0.999) 18.319 3.149 ( 8.941 2.604 -1.756) 9.476 3.288 ( 3.963 6.083 -1.770) 7.473 3.968 ( -0.482 -2.793 1.871) 3.396 4.399 ( -2.461 10.512 4.194) 11.583 5.839 ( 8.099 6.622 3.173) 10.932 5.981 ( -1.167 2.106 -1.911) 3.074 6.294 ( 1.959 2.767 -1.432) 3.680 6.562 ( 0.628 -5.243 -2.785) 5.970 6.993 ( -2.804 -8.814 0.294) 9.254 8.038 ( -7.343 -2.510 -2.923) 8.292======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.191 ( 3.236 4.228 -1.677) 5.582 2.942 ( 8.427 14.228 2.110) 16.671 3.287 ( 3.473 4.181 -4.456) 7.029 3.488 ( 13.475 2.509 4.768) 14.512 3.932 ( 1.141 -5.433 2.111) 5.939 4.394 ( -8.451 5.840 -1.770) 10.424 5.960 ( 0.009 2.799 -1.014) 2.977 6.054 ( 5.020 4.711 1.904) 7.143 6.341 ( -0.275 1.828 -2.241) 2.905 6.548 ( 4.348 -1.923 -1.840) 5.098 6.860 ( -3.700 -5.872 0.193) 6.943 7.896 ( -5.318 -2.107 -0.763) 5.771======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.275 ( 2.197 2.937 -0.670) 3.728 3.181 ( 3.355 11.215 2.326) 11.935 3.335 ( -1.394 3.514 -1.310) 4.001 3.762 ( 8.464 3.648 1.587) 9.352 3.956 ( 10.196 -6.114 3.487) 12.389 4.221 ( -12.998 0.943 -4.640) 13.834 5.992 ( 1.271 2.982 -2.110) 3.868 6.165 ( 3.308 1.479 3.247) 4.866 6.291 ( -3.654 -1.603 -1.895) 4.417 6.650 ( 4.429 3.889 -1.756) 6.150 6.765 ( -2.338 -1.641 0.619) 2.923 7.804 ( -2.024 -3.274 0.166) 3.853======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.315 ( 0.120 1.315 -0.382) 1.374 3.267 ( -6.549 3.415 0.773) 7.426 3.333 ( 1.036 3.638 1.764) 4.173 3.827 ( -0.148 -0.610 -0.006) 0.627 3.939 ( -14.550 3.309 -4.594) 15.613 4.205 ( 14.668 -3.782 2.602) 15.369 6.044 ( 1.808 2.062 -0.837) 2.867 6.172 ( -6.037 0.211 -0.352) 6.051 6.264 ( 5.954 -2.314 1.114) 6.485 6.701 ( -2.337 4.757 -0.656) 5.341 6.760 ( 0.557 0.228 0.044) 0.603 7.764 ( 1.406 -3.256 0.135) 3.550======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.304 ( -2.057 0.258 -0.399) 2.111 3.100 ( -13.192 -1.222 0.923) 13.281 3.373 ( 0.954 -2.575 -0.360) 2.770 3.681 ( -12.395 4.902 1.152) 13.378 3.878 ( 0.768 1.858 0.537) 2.081 4.362 ( 5.825 -3.027 -1.487) 6.730 6.034 ( -6.376 0.422 1.174) 6.497 6.098 ( -0.227 0.142 -1.066) 1.099 6.363 ( 5.817 -1.026 -0.890) 5.973 6.708 ( -1.306 3.750 -0.517) 4.004 6.736 ( -0.665 -3.170 0.350) 3.258 7.798 ( 4.386 -0.098 0.077) 4.388======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.248 ( -4.476 0.415 -1.239) 4.663 2.802 ( -17.732 -3.270 0.074) 18.031 3.302 ( -1.688 -7.676 -1.423) 7.987 3.593 ( -8.725 9.546 3.736) 13.461 3.941 ( 4.040 1.341 3.040) 5.231 4.331 ( -4.393 -3.100 -3.446) 6.386 5.916 ( -7.390 -0.488 1.775) 7.616 6.079 ( -2.143 0.337 -1.386) 2.575 6.380 ( -1.962 -2.057 -1.674) 3.298 6.729 ( 1.240 1.250 -1.420) 2.262 6.754 ( 7.681 -3.902 0.973) 8.670 7.903 ( 5.708 2.655 -0.751) 6.340======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.143 ( -8.207 1.931 -3.657) 9.190 2.445 ( -18.981 -2.330 -0.742) 19.138 3.185 ( -2.977 -6.270 -0.096) 6.941 3.525 ( -10.231 7.014 -1.032) 12.447 4.034 ( 0.219 0.813 0.929) 1.254 4.193 ( -4.285 0.181 4.270) 6.052 5.773 ( -7.714 -2.670 2.388) 8.505 6.038 ( -2.028 0.922 -1.540) 2.708 6.298 ( -4.063 -0.680 -1.048) 4.251 6.768 ( 3.686 -1.226 -1.232) 4.075 6.897 ( 11.658 -3.515 0.162) 12.178 8.023 ( 5.109 2.518 -3.194) 6.530======================= 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 1.64e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.127 ( -0.000 1.683 -7.808) 7.988 2.261 ( -0.000 9.184 -3.223) 9.733 2.982 ( 0.000 3.571 1.215) 3.772 3.225 ( -0.000 6.771 -5.286) 8.590 3.992 ( 0.000 -2.515 3.591) 4.384 4.439 ( 0.000 15.523 7.893) 17.414 5.636 ( 0.000 6.151 2.621) 6.686 6.019 ( -0.000 2.271 -0.315) 2.292 6.256 ( -0.000 1.851 -1.735) 2.537 6.555 ( -0.000 -5.237 -1.889) 5.567 7.042 ( 0.000 -8.647 -0.802) 8.684 8.197 ( -0.000 -3.837 -3.992) 5.537======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.102 ( 0.604 1.301 -5.520) 5.703 2.463 ( 13.341 6.752 -3.292) 15.311 3.059 ( 4.254 3.107 1.134) 5.389 3.288 ( 1.825 4.587 -1.597) 5.189 3.953 ( -0.968 -4.684 3.468) 5.908 4.590 ( -2.783 13.314 3.936) 14.159 5.763 ( 6.948 4.576 2.312) 8.635 6.035 ( -1.684 4.119 -1.327) 4.643 6.285 ( 1.346 2.522 -1.204) 3.102 6.494 ( 0.147 -5.960 -0.786) 6.013 6.949 ( -1.462 -6.488 -1.438) 6.804 8.110 ( -4.426 -2.752 -2.566) 5.809======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.153 ( 4.023 2.136 -1.977) 4.966 2.809 ( 18.377 6.781 -2.181) 19.709 3.190 ( 7.247 2.151 -0.666) 7.589 3.373 ( 4.183 1.629 3.177) 5.500 3.898 ( -1.186 -4.137 2.481) 4.968 4.612 ( -7.812 7.768 -0.434) 11.025 5.948 ( 7.390 2.601 1.468) 7.971 6.043 ( -1.047 4.786 -1.759) 5.206 6.342 ( 2.013 2.534 -0.638) 3.299 6.447 ( 2.021 -5.109 -0.122) 5.495 6.855 ( -2.389 -4.209 -1.256) 5.000 7.987 ( -6.340 -1.310 -0.900) 6.536======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.243 ( 3.864 1.681 -0.237) 4.220 3.152 ( 11.166 5.595 -0.686) 12.508 3.335 ( 5.655 3.571 -4.873) 8.276 3.520 ( 14.100 -3.298 7.922) 16.506 3.850 ( -0.672 -3.059 1.165) 3.342 4.477 ( -12.932 3.566 -2.609) 13.666 6.019 ( -0.548 3.800 -1.921) 4.293 6.107 ( 3.618 -1.087 2.178) 4.361 6.348 ( -2.760 0.846 -1.119) 3.096 6.529 ( 9.640 -0.243 0.271) 9.647 6.785 ( -1.826 -1.359 -0.541) 2.339 7.864 ( -6.189 -0.832 -0.014) 6.245======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.306 ( 1.965 0.331 0.165) 1.999 3.292 ( 4.246 -1.454 -0.541) 4.520 3.374 ( -2.595 0.992 -0.686) 2.862 3.825 ( 0.001 -0.629 0.075) 0.634 3.845 ( 21.112 -2.891 1.436) 21.357 4.248 ( -15.481 3.157 -0.483) 15.807 6.043 ( 0.331 2.342 -0.251) 2.379 6.150 ( 4.207 -3.067 0.389) 5.220 6.281 ( -5.423 1.246 0.039) 5.564 6.695 ( 7.078 0.727 -0.154) 7.117 6.755 ( -1.159 -0.134 0.229) 1.189 7.767 ( -3.558 -0.185 -0.045) 3.563======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.321 ( 0.039 -0.620 0.173) 0.645 3.258 ( -6.247 -6.043 -0.160) 8.693 3.304 ( -0.259 -4.033 -0.916) 4.144 3.827 ( 0.139 0.566 -0.029) 0.583 4.035 ( -11.825 4.034 4.696) 13.348 4.139 ( 13.283 -1.431 -3.856) 13.906 6.073 ( 1.247 0.040 1.732) 2.134 6.154 ( -3.515 -1.746 -1.724) 4.287 6.253 ( 3.253 1.954 0.013) 3.795 6.713 ( -2.380 -3.562 0.413) 4.304 6.758 ( 0.435 -0.463 -0.093) 0.642 7.762 ( 1.575 3.090 -0.069) 3.469======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.301 ( -1.671 -0.288 -0.274) 1.717 3.018 ( -12.367 -7.531 -0.713) 14.497 3.239 ( -0.506 -6.726 -0.353) 6.754 3.825 ( -4.119 4.576 0.539) 6.180 3.953 ( -3.928 3.604 9.160) 10.598 4.259 ( 5.486 -3.919 -7.771) 10.288 6.031 ( -6.292 -2.968 1.319) 7.081 6.101 ( -0.098 0.892 -0.909) 1.278 6.345 ( 3.457 1.017 -1.552) 3.923 6.620 ( 0.226 -7.209 1.019) 7.284 6.740 ( -1.124 -0.381 -0.853) 1.462 7.864 ( 4.064 5.849 -0.056) 7.122======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.255 ( -3.902 1.284 -2.242) 4.680 2.700 ( -14.813 -6.068 -1.344) 16.064 3.160 ( -1.299 -5.722 0.610) 5.899 3.766 ( -8.874 5.775 -0.641) 10.607 4.011 ( 2.662 1.807 9.858) 10.369 4.231 ( -0.289 -3.437 -5.909) 6.842 5.868 ( -7.194 -6.087 1.608) 9.560 6.092 ( -2.238 2.486 -2.084) 3.941 6.348 ( -2.228 0.510 -0.353) 2.313 6.642 ( 8.050 -6.966 2.007) 10.833 6.728 ( 1.827 -0.235 -3.356) 3.829 7.991 ( 3.270 5.688 -0.911) 6.624======================= 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 1.64e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.076 ( -0.000 -0.702 -4.988) 5.037 2.378 ( -0.000 4.680 -2.173) 5.160 3.056 ( 0.000 2.456 1.085) 2.685 3.307 ( -0.000 2.836 0.077) 2.837 3.927 ( 0.000 -4.362 3.208) 5.415 4.748 ( 0.000 9.835 1.691) 9.979 5.739 ( 0.000 2.546 1.348) 2.881 6.100 ( -0.000 6.030 -1.288) 6.166 6.293 ( -0.000 2.406 -0.978) 2.597 6.428 ( 0.000 -6.820 0.811) 6.868 6.906 ( -0.000 -3.695 -2.111) 4.255 8.116 ( -0.000 -2.161 -1.596) 2.687======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.095 ( 3.238 1.140 -0.921) 3.554 2.541 ( 14.028 2.934 -1.132) 14.376 3.111 ( 3.841 1.034 0.293) 3.988 3.345 ( 1.780 1.039 2.191) 3.008 3.890 ( -0.881 -2.932 2.076) 3.699 4.783 ( -4.357 4.337 -1.463) 6.319 5.825 ( 7.133 0.785 0.115) 7.177 6.133 ( -2.765 5.823 -1.393) 6.595 6.329 ( 1.588 1.462 0.947) 2.357 6.371 ( 0.978 -5.518 0.484) 5.625 6.858 ( -1.718 -1.367 -1.785) 2.830 8.064 ( -3.686 -0.731 -0.384) 3.778======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.182 ( 4.415 1.153 1.083) 4.690 2.878 ( 20.437 1.284 -1.070) 20.505 3.206 ( 6.921 -0.154 -1.482) 7.080 3.400 ( 3.010 -1.245 5.086) 6.040 3.854 ( -1.271 -1.143 0.719) 1.855 4.681 ( -8.472 0.006 -3.043) 9.002 5.967 ( 7.861 -0.845 -1.101) 7.982 6.114 ( -3.212 1.444 0.387) 3.543 6.367 ( 3.559 -1.858 -0.290) 4.025 6.389 ( 2.545 2.000 1.778) 3.693 6.813 ( -2.298 0.622 -0.996) 2.580 7.974 ( -6.210 0.308 0.252) 6.223======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.258 ( 3.273 -0.599 1.151) 3.521 3.133 ( 9.563 -6.604 -2.243) 11.836 3.373 ( 6.949 3.384 -5.210) 9.321 3.474 ( 11.941 -5.592 7.314) 15.078 3.838 ( -0.337 1.502 -0.160) 1.548 4.494 ( -10.668 -1.077 -0.910) 10.760 6.048 ( 4.089 -3.544 -1.283) 5.561 6.072 ( -1.419 0.226 1.020) 1.762 6.372 ( -2.473 1.280 1.135) 3.007 6.536 ( 9.941 0.962 0.973) 10.034 6.786 ( -2.013 1.530 -0.392) 2.559 7.865 ( -6.566 1.007 0.078) 6.643======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.291 ( 1.882 -2.134 0.868) 2.975 3.133 ( 3.721 -12.336 -2.289) 13.087 3.359 ( -4.006 -2.677 1.025) 4.926 3.719 ( 13.366 -4.283 -2.434) 14.245 3.901 ( 5.593 4.044 -1.938) 7.169 4.308 ( -10.348 0.673 3.875) 11.071 6.040 ( 1.854 -4.037 2.107) 4.916 6.099 ( 2.477 -0.699 -2.730) 3.752 6.332 ( -4.157 2.662 2.075) 5.355 6.686 ( 5.518 -1.764 1.685) 6.033 6.750 ( -3.471 0.347 -0.899) 3.602 7.801 ( -2.229 3.490 -0.188) 4.145======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.296 ( 1.026 -2.112 0.853) 2.498 3.016 ( -0.897 -14.923 -0.426) 14.956 3.239 ( -5.140 -3.455 -0.192) 6.196 3.825 ( 4.329 -1.329 0.407) 4.546 4.039 ( 7.180 -0.189 -7.537) 10.411 4.185 ( -7.219 2.204 6.491) 9.955 6.037 ( 0.554 -5.882 0.322) 5.917 6.098 ( 0.469 -1.068 -0.598) 1.311 6.330 ( 0.268 3.480 1.287) 3.720 6.624 ( -6.357 -3.262 0.245) 7.149 6.735 ( 0.437 -1.552 0.199) 1.625 7.864 ( 3.050 6.260 0.027) 6.963======================= 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 1.64e-04 3.35e-04 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.292 ( -0.283 -0.491 -0.000) 0.567 2.804 ( -6.924 -11.992 -0.000) 13.847 3.137 ( -2.190 -3.793 -0.000) 4.379 3.871 ( 0.631 1.093 -0.000) 1.262 4.092 ( 0.736 1.275 -0.000) 1.472 4.126 ( -1.163 -2.014 0.000) 2.326 5.904 ( -5.249 -9.092 -0.000) 10.499 6.126 ( 1.066 1.847 -0.000) 2.133 6.390 ( 1.235 2.139 -0.000) 2.470 6.503 ( -1.902 -3.295 -0.000) 3.805 6.713 ( -0.752 -1.302 -0.000) 1.503 7.993 ( 3.553 6.154 0.000) 7.107======================= 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 1.64e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.086 ( 0.000 2.848 2.521) 3.804 2.433 ( 0.000 1.227 0.907) 1.526 3.079 ( -0.000 -0.601 -0.301) 0.673 3.345 ( 0.000 0.209 3.046) 3.054 3.880 ( 0.000 -1.491 1.082) 1.843 4.828 ( -0.000 -1.279 -4.084) 4.280 5.756 ( -0.000 -0.817 -1.163) 1.421 6.216 ( -0.000 2.401 -0.200) 2.410 6.313 ( 0.000 -1.878 1.206) 2.232 6.326 ( 0.000 0.574 0.734) 0.932 6.868 ( -0.000 0.994 -1.454) 1.761 8.096 ( 0.000 0.648 0.459) 0.794======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.148 ( 1.745 2.600 4.107) 5.164 2.571 ( 13.771 -0.534 1.666) 13.881 3.097 ( 3.774 -1.969 -1.069) 4.389 3.368 ( 1.450 -0.733 4.725) 4.997 3.868 ( -0.739 0.232 -0.117) 0.783 4.739 ( -3.435 -6.209 -5.759) 9.139 5.802 ( 7.087 -2.295 -2.045) 7.725 6.163 ( -2.483 -4.636 1.471) 5.461 6.318 ( 0.265 0.845 0.084) 0.890 6.389 ( 2.411 4.391 1.829) 5.333 6.867 ( -1.863 2.865 -0.920) 3.539 8.078 ( -3.919 1.895 0.897) 4.444======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.206 ( 2.114 -0.585 3.119) 3.813 2.820 ( 15.298 -7.433 -1.211) 17.051 3.182 ( 9.392 -0.441 -1.470) 9.516 3.399 ( 1.278 -2.332 6.075) 6.631 3.865 ( -0.644 2.502 -0.818) 2.710 4.572 ( -4.559 -8.318 -4.283) 10.407 5.903 ( 7.593 -4.103 -2.684) 9.038 6.085 ( -1.452 -4.154 2.115) 4.882 6.351 ( 3.298 -0.928 0.308) 3.440 6.483 ( 1.766 5.840 3.095) 6.841 6.859 ( -2.852 4.406 -0.838) 5.315 8.004 ( -7.007 2.372 0.723) 7.432======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.229 ( 2.059 -3.466 1.894) 4.454 2.883 ( 7.614 -15.449 -3.384) 17.553 3.382 ( -1.053 -2.477 2.256) 3.512 3.409 ( 14.633 -2.445 -0.470) 14.843 3.903 ( 0.914 5.072 -0.827) 5.219 4.409 ( -3.843 -7.224 -0.179) 8.184 5.940 ( 3.747 -5.374 -2.456) 6.997 6.057 ( 1.134 -2.527 1.801) 3.304 6.383 ( 0.935 -2.018 1.724) 2.814 6.601 ( 4.120 4.331 3.409) 6.881 6.843 ( -4.340 4.838 -1.512) 6.673 7.910 ( -6.221 3.372 0.529) 7.096======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.233 ( 2.678 -4.377 1.800) 5.438 2.809 ( 4.754 -17.539 -1.304) 18.219 3.288 ( -4.583 -4.898 1.372) 6.847 3.623 ( 12.758 -3.884 -2.540) 13.576 3.975 ( 1.435 4.988 -3.675) 6.360 4.297 ( -2.982 -4.387 3.371) 6.285 5.936 ( 2.986 -6.095 -2.210) 7.137 6.063 ( 1.506 -2.289 1.690) 3.219 6.361 ( -0.896 -2.203 2.042) 3.135 6.698 ( 1.422 2.039 3.839) 4.574 6.776 ( -7.803 3.867 -2.532) 9.069 7.896 ( -0.342 5.464 0.788) 5.531======================= 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 1.64e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.197 ( 0.000 3.684 6.301) 7.299 2.428 ( 0.000 -3.436 2.599) 4.308 3.034 ( -0.000 -2.913 -0.974) 3.072 3.365 ( 0.000 -1.028 6.375) 6.458 3.883 ( -0.000 1.919 -1.117) 2.220 4.648 ( -0.000 -12.201 -8.140) 14.667 5.698 ( -0.000 -3.482 -2.487) 4.279 6.124 ( 0.000 -6.572 1.100) 6.663 6.321 ( 0.000 -1.772 1.572) 2.369 6.440 ( 0.000 8.410 1.675) 8.575 6.919 ( -0.000 4.628 -0.651) 4.673 8.146 ( 0.000 3.553 1.207) 3.753======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.208 ( -1.651 -0.857 4.655) 5.013 2.504 ( 11.004 -7.954 0.396) 13.584 3.043 ( 4.818 -2.182 -0.313) 5.298 3.383 ( 0.707 -2.008 7.998) 8.276 3.903 ( -0.379 3.880 -1.343) 4.123 4.469 ( -0.455 -15.612 -8.025) 17.560 5.713 ( 6.662 -4.835 -2.454) 8.590 6.059 ( -0.681 -4.963 1.180) 5.147 6.308 ( 0.634 -1.993 0.985) 2.312 6.540 ( 0.901 7.513 3.420) 8.304 6.955 ( -1.925 6.322 -0.802) 6.658 8.148 ( -4.775 4.293 1.013) 6.501======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.175 ( -0.044 -4.997 2.648) 5.656 2.555 ( 9.212 -16.443 -3.809) 19.229 3.167 ( 10.627 -1.326 0.457) 10.719 3.382 ( -0.703 -3.777 6.601) 7.637 3.947 ( 0.321 5.206 0.045) 5.216 4.299 ( 1.812 -14.664 -5.550) 15.783 5.777 ( 7.002 -6.301 -2.652) 9.786 6.021 ( 0.331 -2.750 1.953) 3.389 6.315 ( 2.403 -2.804 0.575) 3.738 6.640 ( 0.930 6.537 4.765) 8.143 6.974 ( -3.655 7.597 -1.696) 8.599 8.080 ( -7.838 4.591 1.092) 9.149======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.134 ( 2.366 -7.435 1.874) 8.025 2.503 ( 7.785 -19.239 -2.655) 20.924 3.297 ( -0.093 -6.549 2.716) 7.090 3.369 ( 9.218 -2.533 0.578) 9.577 4.005 ( 0.973 2.805 0.715) 3.054 4.212 ( 3.405 -8.815 -3.957) 10.245 5.800 ( 4.394 -6.757 -2.811) 8.536 6.022 ( 1.197 -1.619 2.246) 3.016 6.319 ( 1.577 -4.499 0.957) 4.863 6.731 ( 0.581 5.088 4.527) 6.835 6.961 ( -6.365 8.038 -2.658) 10.592 8.008 ( -5.736 5.440 2.182) 8.201======================= 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 1.64e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.236 ( 0.000 -4.346 2.689) 5.111 2.299 ( 0.000 -10.910 0.345) 10.915 2.975 ( 0.000 -2.292 0.658) 2.385 3.382 ( 0.000 -3.253 9.826) 10.350 3.944 ( -0.000 3.572 -0.480) 3.604 4.257 ( -0.000 -18.577 -10.058) 21.125 5.592 ( -0.000 -5.451 -1.584) 5.677 6.025 ( 0.000 -3.103 0.425) 3.132 6.284 ( 0.000 -2.396 0.907) 2.562 6.620 ( 0.000 7.057 4.226) 8.225 7.042 ( -0.000 7.852 -0.850) 7.898 8.245 ( -0.000 5.487 0.594) 5.519======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.134 ( -1.691 -8.824 1.242) 9.070 2.236 ( 5.832 -16.995 -3.978) 18.403 3.011 ( 5.702 -1.823 1.954) 6.297 3.367 ( 0.027 -6.198 8.354) 10.402 3.924 ( 2.395 -14.113 -0.164) 14.316 4.121 ( 0.923 -0.241 -7.123) 7.186 5.586 ( 5.781 -6.381 -0.862) 8.653 6.007 ( -0.104 -0.515 0.718) 0.889 6.267 ( 0.521 -2.038 0.066) 2.105 6.705 ( 0.641 5.599 5.251) 7.703 7.105 ( -2.182 9.098 -1.469) 9.470 8.257 ( -5.271 5.823 0.416) 7.865======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.007 ( 0.759 -13.751 -1.247) 13.828 2.158 ( 7.897 -18.487 -2.651) 20.277 3.123 ( 8.708 -4.220 2.836) 10.083 3.310 ( -0.540 -8.005 4.710) 9.304 3.825 ( 8.397 -19.998 -1.283) 21.727 4.170 ( -0.478 8.659 -3.689) 9.425 5.627 ( 6.306 -7.084 -1.079) 9.545 6.015 ( 0.006 1.167 1.436) 1.851 6.258 ( 0.877 -2.604 -0.273) 2.761 6.786 ( 0.788 4.387 4.887) 6.614 7.136 ( -4.494 9.629 -2.448) 10.905 8.199 ( -7.749 6.069 1.896) 10.024======================= 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 1.64e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.992 ( -0.000 -17.957 -3.890) 18.374 2.034 ( -0.000 -15.204 -3.084) 15.513 2.953 ( 0.000 -1.166 2.572) 2.824 3.282 ( 0.000 -16.117 5.947) 17.180 3.675 ( 0.000 -21.540 -2.935) 21.739 4.181 ( -0.000 10.381 -0.717) 10.406 5.469 ( 0.000 -6.284 0.841) 6.340 6.018 ( 0.000 2.198 0.384) 2.231 6.248 ( -0.000 -0.954 -0.634) 1.145 6.765 ( 0.000 3.841 5.999) 7.123 7.218 ( -0.000 10.176 -1.576) 10.297 8.365 ( -0.000 6.218 -0.638) 6.251======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.786 ( 0.636 -22.586 -7.412) 23.779 1.881 ( 4.146 -16.413 -1.668) 17.010 2.975 ( 3.635 -6.113 4.504) 8.418 3.133 ( 6.645 -21.646 0.390) 22.646 3.510 ( 2.606 -15.250 -0.813) 15.492 4.284 ( -1.044 10.765 0.718) 10.840 5.456 ( 4.777 -6.409 1.307) 8.100 6.050 ( -0.384 4.093 0.826) 4.193 6.237 ( -0.331 -0.363 -1.205) 1.301 6.822 ( 0.754 2.295 5.858) 6.336 7.294 ( -2.676 10.567 -2.056) 11.093 8.380 ( -4.867 6.171 -0.129) 7.860======================= 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 1.64e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.545 ( -0.000 -22.305 -7.159) 23.426 1.615 ( -0.000 -22.226 -6.787) 23.239 2.706 ( 0.000 -38.116 -0.103) 38.116 2.951 ( 0.000 -0.941 2.750) 2.907 3.378 ( 0.000 -10.591 0.595) 10.608 4.409 ( 0.000 10.197 2.678) 10.543 5.358 ( 0.000 -5.805 2.811) 6.450 6.109 ( -0.000 5.806 0.803) 5.862 6.243 ( -0.000 1.218 -1.719) 2.106 6.850 ( 0.000 0.504 6.697) 6.716 7.421 ( -0.000 10.888 -1.909) 11.055 8.480 ( -0.000 5.736 -1.598) 5.955======================= 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 1.64e-04 3.35e-04 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.497 ( 0.000 0.000 24.206) 24.206 0.497 ( 0.000 0.000 24.206) 24.206 0.814 ( 0.000 0.000 40.243) 40.243 2.903 ( -0.000 -0.000 -2.782) 2.782 2.903 ( -0.000 -0.000 -2.782) 2.782 5.164 ( -0.000 -0.000 -1.981) 1.981 5.164 ( -0.000 -0.000 -1.981) 1.981 5.174 ( -0.000 -0.000 -12.403) 12.403 6.350 ( 0.000 0.000 1.365) 1.365 6.350 ( 0.000 0.000 1.365) 1.365 7.908 ( 0.000 0.000 6.017) 6.017 8.528 ( -0.000 -0.000 -1.930) 1.930======================= 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 1.64e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.635 ( 10.446 6.031 16.151) 20.158 0.752 ( 9.465 5.464 22.279) 24.815 1.355 ( 28.783 16.618 21.252) 39.449 2.915 ( 1.209 0.698 -2.519) 2.880 2.951 ( 5.410 3.123 -3.158) 7.000 4.690 ( -6.166 -3.560 -3.460) 7.916 5.213 ( 3.460 1.998 -1.288) 4.198 6.222 ( 28.749 16.598 -30.865) 45.328 6.319 ( -2.365 -1.365 1.085) 2.938 6.347 ( 0.672 0.388 -2.587) 2.701 7.873 ( -4.788 -2.764 6.641) 8.641 8.518 ( -1.813 -1.047 -5.100) 5.513======================= 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 1.64e-04 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.001 ( 16.503 9.528 7.427) 20.452 1.081 ( 13.295 7.676 11.895) 19.421 2.076 ( 27.822 16.063 4.652) 32.461 2.942 ( 1.713 0.989 -2.094) 2.880 3.144 ( 11.591 6.692 1.484) 13.467 4.578 ( -3.200 -1.848 -4.262) 5.641 5.314 ( 5.365 3.098 -0.556) 6.220 6.254 ( -4.744 -2.739 0.560) 5.506 6.255 ( -3.152 -1.820 0.682) 3.704 6.629 ( 13.443 7.762 -17.072) 23.075 7.741 ( -8.188 -4.727 7.441) 12.032 8.391 ( -6.952 -4.014 -8.040) 11.361======================= 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 1.64e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.420 ( 17.614 10.170 2.620) 20.507 1.424 ( 13.807 7.971 2.406) 16.123 2.644 ( 21.363 12.334 -6.851) 25.602 2.980 ( 1.970 1.137 -1.493) 2.721 3.486 ( 15.423 8.905 7.699) 19.403 4.504 ( -2.425 -1.400 -0.723) 2.892 5.450 ( 6.069 3.504 0.418) 7.020 6.134 ( -5.101 -2.945 0.207) 5.894 6.191 ( -2.048 -1.182 -0.015) 2.365 6.808 ( 5.338 3.082 -8.007) 10.104 7.550 ( -10.439 -6.027 7.825) 14.371 8.176 ( -7.615 -4.397 -10.512) 13.705======================= 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 1.64e-04 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.729 ( 12.436 7.180 -3.760) 14.844 1.820 ( 16.067 9.276 -0.196) 18.554 3.021 ( 1.820 1.051 -0.727) 2.224 3.054 ( 16.500 9.526 -8.391) 20.819 3.842 ( 11.780 6.801 6.526) 15.087 4.460 ( -1.934 -1.117 4.447) 4.977 5.581 ( 4.471 2.581 1.699) 5.435 6.043 ( -2.327 -1.344 -0.064) 2.688 6.176 ( 1.142 0.660 -1.037) 1.678 6.824 ( -1.636 -0.944 -5.265) 5.593 7.282 ( -14.487 -8.364 4.126) 17.229 8.035 ( -1.303 -0.752 -7.098) 7.255======================= 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 1.64e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.973 ( 9.846 5.685 -6.179) 12.940 2.154 ( 12.655 7.306 -1.790) 14.722 3.055 ( 1.102 0.636 0.101) 1.276 3.368 ( 12.617 7.284 -7.532) 16.401 4.049 ( 4.783 2.762 2.754) 6.172 4.432 ( -2.641 -1.525 8.873) 9.382 5.658 ( 1.593 0.919 2.531) 3.128 6.032 ( 1.490 0.860 -1.097) 2.041 6.236 ( 4.064 2.346 -1.668) 4.980 6.743 ( -3.003 -1.734 -3.380) 4.842 6.933 ( -15.013 -8.668 0.290) 17.338 8.045 ( 2.416 1.395 -2.399) 3.680======================= 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 1.64e-04 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.147 ( 6.777 3.913 -5.769) 9.723 2.389 ( 7.961 4.596 -2.329) 9.482 3.069 ( -0.100 -0.058 0.702) 0.711 3.584 ( 8.331 4.810 -9.704) 13.664 4.088 ( -1.811 -1.046 -2.045) 2.925 4.402 ( -2.532 -1.462 14.254) 14.551 5.681 ( -0.139 -0.081 2.431) 2.437 6.096 ( 4.270 2.465 -1.789) 5.245 6.327 ( 3.588 2.071 -1.505) 4.408 6.619 ( -10.784 -6.226 -2.884) 12.782 6.701 ( -0.549 -0.317 2.203) 2.292 8.096 ( 1.993 1.151 -0.981) 2.502======================= 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 1.64e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.255 ( 3.842 2.218 -3.416) 5.599 2.502 ( 2.077 1.199 -1.600) 2.883 3.056 ( -1.105 -0.638 0.519) 1.378 3.700 ( 5.031 2.905 -13.979) 15.138 3.969 ( -6.247 -3.606 -2.649) 7.684 4.405 ( -2.521 -1.456 15.701) 15.969 5.673 ( -1.102 -0.636 1.827) 2.226 6.203 ( 3.432 1.982 0.243) 3.971 6.375 ( 0.710 0.410 -1.030) 1.316 6.420 ( -3.858 -2.227 -3.181) 5.474 6.742 ( 2.948 1.702 3.612) 4.963 8.126 ( 0.929 0.537 -0.579) 1.219======================= 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 1.64e-04 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.297 ( -0.153 -0.088 0.210) 0.274 2.467 ( -5.046 -2.913 0.454) 5.844 3.029 ( -1.068 -0.617 -0.728) 1.432 3.686 ( -3.210 -1.853 -12.794) 13.320 3.892 ( 2.130 1.230 -2.081) 3.222 4.335 ( -8.013 -4.627 11.232) 14.553 5.641 ( -2.041 -1.178 0.876) 2.514 6.147 ( -5.615 -3.242 -0.111) 6.485 6.354 ( -2.153 -1.243 -0.416) 2.521 6.507 ( 8.934 5.158 -2.794) 10.688 6.852 ( 5.354 3.091 3.711) 7.210 8.149 ( 1.427 0.824 0.990) 1.923======================= 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 1.64e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.226 ( -6.946 -4.010 3.571) 8.780 2.273 ( -11.808 -6.817 2.720) 13.903 3.004 ( -0.745 -0.430 -1.963) 2.143 3.540 ( -6.340 -3.660 -4.091) 8.386 4.004 ( 7.643 4.413 -6.416) 10.911 4.082 ( -16.157 -9.328 5.971) 19.589 5.580 ( -3.310 -1.911 -0.452) 3.849 6.037 ( -2.932 -1.693 -0.666) 3.451 6.289 ( -2.961 -1.710 0.396) 3.442 6.702 ( 7.706 4.449 -3.814) 9.681 7.011 ( 7.350 4.244 2.208) 8.770 8.215 ( 3.764 2.173 3.541) 5.606======================= 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 1.64e-04 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.949 ( -16.682 -9.632 4.717) 19.832 1.991 ( -14.277 -8.243 5.546) 17.394 2.979 ( -0.780 -0.450 -2.532) 2.687 3.310 ( -16.165 -9.333 0.154) 18.667 3.661 ( -17.145 -9.898 -0.231) 19.798 4.198 ( 9.747 5.627 -4.042) 11.958 5.482 ( -4.722 -2.726 -1.886) 5.770 6.024 ( 1.950 1.126 -0.671) 2.350 6.239 ( -1.248 -0.720 1.248) 1.906 6.821 ( 3.792 2.190 -5.269) 6.852 7.204 ( 8.713 5.030 1.130) 10.124 8.342 ( 5.635 3.254 4.133) 7.709======================= 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 1.64e-04 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.801 ( 0.000 19.819 14.901) 24.796 0.897 ( 0.000 16.332 17.503) 23.940 1.352 ( 0.000 24.890 26.337) 36.237 2.874 ( -0.000 -0.028 -3.827) 3.827 2.969 ( -0.000 7.214 -3.070) 7.839 4.673 ( -0.000 -8.882 -3.841) 9.677 5.149 ( -0.000 1.434 -2.586) 2.957 6.142 ( -0.000 36.986 -30.859) 48.169 6.318 ( 0.000 -3.273 0.720) 3.351 6.351 ( 0.000 -1.421 1.675) 2.197 7.892 ( 0.000 -6.065 7.007) 9.268 8.524 ( -0.000 0.385 -5.232) 5.247======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.067 ( 1.136 22.565 9.016) 24.326 1.120 ( 2.659 16.045 17.232) 23.695 1.882 ( 18.244 24.466 9.484) 31.958 2.907 ( 3.755 1.170 -2.827) 4.844 3.073 ( 4.484 9.065 -0.879) 10.151 4.568 ( -1.464 -4.851 -5.242) 7.290 5.230 ( 6.222 2.291 -1.742) 6.855 6.258 ( -1.675 -4.876 0.094) 5.157 6.311 ( -2.757 -1.594 1.313) 3.445 6.460 ( 10.311 16.708 -19.969) 28.004 7.804 ( -3.941 -8.629 7.317) 11.980 8.453 ( -5.472 -1.814 -7.017) 9.081======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.370 ( 5.463 18.193 11.603) 22.258 1.405 ( 6.488 17.658 3.364) 19.110 2.427 ( 17.778 18.566 -5.296) 26.245 2.976 ( 1.749 3.805 -2.517) 4.886 3.340 ( 13.668 9.710 6.224) 17.884 4.493 ( -0.489 -3.797 -3.017) 4.875 5.377 ( 6.974 4.373 -0.700) 8.261 6.162 ( -3.138 -5.298 -0.209) 6.161 6.240 ( -3.620 -0.887 0.999) 3.859 6.693 ( 8.379 6.110 -10.519) 14.771 7.643 ( -6.309 -9.807 7.780) 14.018 8.261 ( -9.614 -3.088 -9.329) 13.748======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.648 ( 6.602 12.447 2.370) 14.287 1.747 ( 9.445 18.651 1.818) 20.985 2.857 ( 15.883 14.023 -8.437) 22.806 3.029 ( 0.556 4.544 -2.220) 5.088 3.713 ( 13.852 8.210 7.011) 17.562 4.454 ( 0.542 -3.562 1.375) 3.857 5.544 ( 5.691 5.985 0.559) 8.278 6.059 ( -2.549 -3.872 -0.455) 4.659 6.191 ( -1.842 0.940 0.192) 2.076 6.789 ( 2.409 -0.559 -6.574) 7.024 7.427 ( -10.186 -10.552 6.241) 15.939 8.054 ( -5.898 -1.663 -8.289) 10.309======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.878 ( 7.158 9.367 -2.992) 12.163 2.090 ( 8.452 16.626 0.620) 18.662 3.072 ( -0.096 4.156 -1.175) 4.320 3.216 ( 13.021 11.611 -6.775) 18.715 3.982 ( 7.668 3.673 3.339) 9.134 4.443 ( 0.719 -3.893 5.611) 6.867 5.681 ( 1.901 6.468 1.932) 7.012 6.008 ( 0.353 -1.662 -1.102) 2.026 6.207 ( 1.608 2.840 -0.817) 3.364 6.748 ( -1.565 -2.932 -5.231) 6.198 7.110 ( -14.711 -9.712 1.920) 17.732 7.996 ( 1.759 -0.645 -2.989) 3.527======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.063 ( 6.161 6.589 -4.639) 10.143 2.367 ( 5.141 14.391 -0.687) 15.297 3.098 ( -1.090 3.217 0.014) 3.396 3.485 ( 8.008 9.137 -7.509) 14.283 4.081 ( 1.238 -0.483 -0.266) 1.355 4.431 ( 0.427 -4.404 9.798) 10.751 5.750 ( -2.159 6.573 2.487) 7.352 6.030 ( 3.608 0.040 -1.859) 4.059 6.285 ( 3.592 3.235 -1.155) 4.970 6.673 ( -2.436 -3.139 -5.663) 6.918 6.790 ( -11.412 -5.401 3.321) 13.055 8.037 ( 3.814 -1.509 -0.774) 4.174======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.194 ( 4.410 3.968 -4.385) 7.377 2.546 ( 0.250 11.912 -1.097) 11.965 3.096 ( -2.326 2.060 0.799) 3.208 3.629 ( 3.420 6.056 -10.792) 12.839 4.012 ( -4.580 -4.174 -3.686) 7.210 4.453 ( 1.019 -2.761 14.258) 14.559 5.763 ( -4.508 6.329 2.189) 8.072 6.119 ( 6.177 0.845 -0.937) 6.304 6.368 ( 2.362 2.660 -1.032) 3.704 6.489 ( -8.078 -4.272 -3.452) 9.768 6.725 ( 1.138 0.502 3.439) 3.657 8.075 ( 3.158 -2.623 -0.700) 4.165======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.267 ( 2.314 0.873 -2.714) 3.672 2.597 ( -6.315 8.087 0.166) 10.262 3.071 ( -2.752 1.934 0.353) 3.382 3.659 ( -0.346 1.746 -14.388) 14.498 3.889 ( -2.219 -2.662 -0.734) 3.542 4.453 ( -4.191 -2.855 12.603) 13.585 5.738 ( -5.761 5.318 1.594) 8.001 6.184 ( -1.046 -3.254 0.343) 3.435 6.348 ( -0.764 -1.081 -1.610) 2.084 6.454 ( 3.231 5.707 -2.405) 6.985 6.795 ( 4.480 1.000 3.503) 5.774 8.097 ( 3.207 -3.018 -0.200) 4.408======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.261 ( -1.666 -2.956 -0.389) 3.416 2.478 ( -13.382 1.660 2.611) 13.735 3.051 ( -2.770 3.787 -1.045) 4.807 3.568 ( -3.547 -2.844 -9.244) 10.302 3.912 ( 4.762 2.402 -2.755) 6.003 4.299 ( -13.272 -5.179 8.544) 16.613 5.679 ( -6.663 3.588 0.791) 7.609 6.079 ( -4.393 -2.736 -0.686) 5.221 6.319 ( -2.126 -1.185 -0.154) 2.439 6.611 ( 7.093 6.059 -3.541) 9.978 6.920 ( 7.110 1.564 2.703) 7.766 8.143 ( 5.240 -2.204 1.490) 5.876======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.131 ( -8.550 -6.528 2.097) 10.960 2.195 ( -18.010 -3.857 3.948) 18.837 3.032 ( -3.780 4.349 -2.239) 6.182 3.432 ( -6.354 -4.392 -4.415) 8.897 3.922 ( -19.925 -6.916 0.757) 21.105 4.078 ( 6.892 3.630 0.759) 7.826 5.583 ( -7.535 1.798 -0.257) 7.751 6.014 ( -0.629 -0.077 -0.810) 1.029 6.264 ( -2.404 -0.834 0.563) 2.606 6.756 ( 5.006 3.559 -4.930) 7.876 7.090 ( 9.072 2.425 1.653) 9.535 8.248 ( 7.566 -1.035 2.239) 7.958======================= 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 1.64e-04 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.315 ( 0.000 21.707 9.290) 23.612 1.334 ( 0.000 17.551 10.008) 20.204 2.051 ( 0.000 31.224 9.012) 32.498 2.856 ( -0.000 0.855 -3.728) 3.824 3.141 ( -0.000 10.931 -0.713) 10.954 4.508 ( -0.000 -5.588 -4.488) 7.167 5.195 ( -0.000 4.691 -1.627) 4.965 6.218 ( 0.000 -5.718 -0.074) 5.718 6.319 ( 0.000 -2.559 1.188) 2.821 6.487 ( -0.000 15.300 -15.609) 21.857 7.757 ( 0.000 -11.559 6.854) 13.438 8.465 ( -0.000 -1.903 -7.541) 7.778======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.541 ( 1.490 19.344 2.633) 19.579 1.568 ( 0.909 18.327 11.567) 21.691 2.421 ( 5.869 25.813 -3.923) 26.761 2.930 ( 6.354 2.883 -2.946) 7.574 3.300 ( 5.164 12.701 4.470) 14.420 4.441 ( 0.023 -4.956 -2.410) 5.510 5.305 ( 6.021 6.010 -0.580) 8.527 6.145 ( -1.538 -5.870 0.111) 6.069 6.279 ( -1.839 -1.982 0.739) 2.803 6.612 ( 4.619 7.783 -9.852) 13.378 7.628 ( -2.683 -12.868 6.483) 14.656 8.355 ( -6.721 -2.608 -8.615) 11.233======================= 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 1.64e-04 3.35e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.735 ( 1.170 13.962 0.689) 14.028 1.850 ( 4.808 20.900 7.371) 22.677 2.757 ( 10.286 18.476 -8.100) 22.644 3.045 ( 3.031 4.730 -4.404) 7.139 3.605 ( 11.106 12.035 6.728) 17.704 4.399 ( 0.994 -4.671 1.051) 4.890 5.498 ( 7.521 7.705 0.511) 10.780 6.055 ( -2.219 -4.721 -0.246) 5.223 6.235 ( -1.852 0.008 0.218) 1.865 6.707 ( 3.726 0.525 -6.352) 7.383 7.455 ( -4.659 -12.944 6.046) 15.026 8.150 ( -9.408 -2.051 -8.555) 12.881======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.893 ( 2.897 10.853 -1.317) 11.310 2.176 ( 5.514 20.921 4.737) 22.148 3.102 ( 8.981 12.202 -6.149) 16.351 3.116 ( 4.288 7.741 -2.687) 9.248 3.893 ( 8.325 6.380 2.273) 10.732 4.387 ( 1.785 -4.677 4.273) 6.582 5.705 ( 5.431 8.957 1.650) 10.604 5.985 ( -0.888 -2.754 -1.068) 3.084 6.226 ( -0.360 2.475 -0.424) 2.537 6.705 ( 0.485 -3.447 -5.402) 6.426 7.228 ( -9.221 -11.615 3.451) 15.226 7.986 ( -3.889 -1.316 -4.688) 6.232======================= 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 1.64e-04 3.35e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.044 ( 3.727 8.439 -2.190) 9.482 2.476 ( 3.487 19.802 2.873) 20.311 3.156 ( -0.588 4.899 -1.644) 5.200 3.427 ( 9.355 12.482 -4.532) 16.243 4.037 ( 3.842 0.919 -0.106) 3.952 4.377 ( 1.467 -6.125 5.488) 8.354 5.859 ( 0.755 8.886 2.656) 9.305 5.971 ( 1.936 -0.346 -2.133) 2.901 6.268 ( 1.717 3.388 -0.809) 3.883 6.648 ( -0.602 -3.278 -5.007) 6.015 6.945 ( -11.678 -7.551 1.814) 14.025 7.951 ( 2.250 -2.662 -0.922) 3.605======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.169 ( 2.916 6.000 -2.632) 7.172 2.705 ( -0.209 18.050 1.628) 18.125 3.174 ( -2.427 4.046 0.286) 4.727 3.627 ( 2.841 9.266 -7.330) 12.151 4.029 ( -3.211 -3.096 -3.776) 5.844 4.392 ( 5.355 -5.773 10.006) 12.733 5.925 ( -3.023 7.339 1.788) 8.136 6.032 ( 3.969 2.494 -1.245) 4.850 6.335 ( 3.084 1.505 -0.440) 3.460 6.565 ( -5.238 -2.406 -4.758) 7.474 6.754 ( -3.974 -1.333 3.077) 5.200 7.972 ( 3.828 -4.469 -0.254) 5.890======================= 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 1.64e-04 3.35e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.245 ( 1.341 3.212 -2.607) 4.349 2.830 ( -5.937 14.882 1.599) 16.102 3.158 ( -3.554 3.463 1.326) 5.136 3.671 ( -2.434 4.706 -11.635) 12.784 3.896 ( -3.435 -4.642 -2.077) 6.137 4.473 ( 3.281 -3.438 10.534) 11.556 5.921 ( -6.021 6.682 1.296) 9.088 6.126 ( 3.980 0.038 -0.174) 3.984 6.377 ( -0.826 -0.713 -0.682) 1.287 6.460 ( -1.266 3.663 -2.474) 4.598 6.755 ( 1.754 0.549 2.356) 2.988 7.987 ( 3.959 -5.532 -0.421) 6.816======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.259 ( -0.880 0.015 -1.943) 2.133 2.774 ( -13.977 6.493 3.030) 15.707 3.157 ( -2.941 7.040 0.764) 7.668 3.572 ( -4.361 -2.237 -10.489) 11.578 3.865 ( 2.105 0.690 -0.766) 2.344 4.455 ( -5.551 -3.487 7.361) 9.857 5.860 ( -7.786 4.491 1.347) 9.089 6.115 ( -2.559 -2.800 -0.764) 3.869 6.354 ( -2.010 2.244 -0.001) 3.012 6.551 ( 5.235 5.444 -3.605) 8.369 6.825 ( 5.134 -0.021 2.560) 5.737 8.010 ( 5.491 -5.198 0.139) 7.562======================= 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 1.64e-04 3.35e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.193 ( -4.733 -3.067 -1.009) 5.730 2.517 ( -19.167 -0.482 3.836) 19.553 3.172 ( -5.203 8.366 -0.575) 9.869 3.446 ( -3.145 -4.369 -6.053) 8.100 3.955 ( 5.624 3.129 -1.667) 6.648 4.246 ( -15.502 -4.262 5.241) 16.910 5.756 ( -8.559 2.646 1.508) 9.084 6.038 ( -2.769 -0.721 -1.434) 3.201 6.317 ( -3.785 0.764 0.009) 3.861 6.688 ( 5.494 4.276 -4.753) 8.430 6.954 ( 8.490 0.285 2.281) 8.796 8.084 ( 8.088 -3.949 0.316) 9.006======================= 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 1.64e-04 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.721 ( 0.000 16.318 2.931) 16.579 1.755 ( 0.000 16.795 3.531) 17.162 2.649 ( -0.000 25.759 -7.692) 26.883 2.865 ( -0.000 2.016 -2.046) 2.873 3.423 ( 0.000 16.080 6.730) 17.432 4.386 ( 0.000 -4.935 0.237) 4.941 5.317 ( -0.000 7.608 0.409) 7.619 6.102 ( 0.000 -5.408 0.590) 5.440 6.272 ( 0.000 -2.261 0.017) 2.261 6.615 ( -0.000 5.205 -7.114) 8.815 7.531 ( 0.000 -14.231 5.037) 15.096 8.361 ( -0.000 -2.893 -8.671) 9.141======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.861 ( -0.788 12.315 -2.604) 12.612 1.977 ( 5.511 16.456 3.850) 17.776 2.822 ( 1.226 16.711 -6.319) 17.908 2.981 ( 6.642 5.288 -5.969) 10.378 3.654 ( 3.283 17.580 7.607) 19.435 4.347 ( 0.328 -4.264 3.438) 5.488 5.458 ( 6.022 8.521 1.407) 10.528 6.042 ( -1.393 -4.093 0.403) 4.342 6.248 ( -0.382 -0.968 -0.572) 1.188 6.646 ( 1.719 0.488 -4.711) 5.038 7.386 ( -1.648 -14.055 3.978) 14.700 8.245 ( -6.318 -2.616 -8.286) 10.743======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.954 ( 1.095 8.958 -3.357) 9.629 2.287 ( 7.838 18.084 3.917) 20.095 3.047 ( 9.102 11.621 -1.688) 14.857 3.105 ( 3.737 6.346 -6.769) 10.003 3.881 ( 3.049 10.782 2.159) 11.411 4.340 ( 0.811 -2.224 5.749) 6.217 5.683 ( 7.953 9.203 2.023) 12.331 5.980 ( -1.761 -2.259 -0.475) 2.904 6.245 ( 0.347 1.362 -0.983) 1.715 6.641 ( 0.894 -3.316 -3.803) 5.124 7.219 ( -3.379 -12.872 2.850) 13.610 8.066 ( -7.856 -1.591 -5.983) 10.002======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.066 ( 2.886 7.562 -2.012) 8.340 2.614 ( 6.137 18.793 3.829) 20.137 3.186 ( 2.297 4.612 -3.797) 6.400 3.358 ( 11.681 11.167 -0.226) 16.162 3.987 ( 2.438 1.776 -0.351) 3.036 4.340 ( -1.398 -1.782 3.476) 4.149 5.903 ( 4.734 7.611 3.132) 9.495 5.946 ( 0.536 0.948 -2.130) 2.393 6.279 ( 0.950 3.138 -1.332) 3.539 6.599 ( 0.450 -3.677 -3.524) 5.113 7.023 ( -6.384 -9.903 1.327) 11.857 7.932 ( -3.641 -1.767 -2.177) 4.596======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.181 ( 2.585 6.058 -1.240) 6.703 2.888 ( 2.414 17.942 3.531) 18.445 3.245 ( -0.179 4.754 -1.394) 4.958 3.636 ( 6.800 9.603 -1.755) 11.897 4.030 ( 1.535 -0.754 -1.348) 2.178 4.272 ( -0.497 -6.680 2.713) 7.227 5.945 ( 1.646 0.946 -1.135) 2.212 6.073 ( 1.915 7.934 1.807) 8.359 6.309 ( 0.365 0.482 -0.995) 1.164 6.582 ( 0.616 0.664 -3.441) 3.558 6.832 ( -6.324 -4.704 1.349) 7.997 7.880 ( 0.744 -3.832 -0.129) 3.906======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.260 ( 0.933 4.013 -1.195) 4.290 3.074 ( -2.227 15.426 3.207) 15.912 3.259 ( -2.844 3.881 1.162) 4.950 3.752 ( -1.548 7.450 -5.890) 9.623 3.926 ( -7.789 -3.635 -5.062) 9.975 4.328 ( 10.626 -6.328 7.294) 14.358 5.998 ( 2.480 1.908 -0.733) 3.214 6.136 ( -2.775 4.270 0.378) 5.107 6.321 ( 3.438 -2.346 0.669) 4.216 6.572 ( -4.485 5.524 -2.413) 7.513 6.756 ( -0.475 -0.037 1.192) 1.283 7.864 ( 2.753 -5.728 -0.010) 6.355======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.283 ( -1.132 1.750 -1.269) 2.440 3.078 ( -11.440 5.496 2.971) 13.035 3.287 ( -1.237 8.689 3.207) 9.345 3.643 ( -10.192 0.011 -9.269) 13.777 3.841 ( 1.096 0.323 -0.414) 1.215 4.443 ( 4.822 -4.529 4.235) 7.855 6.015 ( -4.743 2.261 0.985) 5.346 6.105 ( -0.276 -1.330 -1.236) 1.837 6.381 ( 3.491 -0.242 0.397) 3.522 6.566 ( -2.414 8.107 -1.986) 8.688 6.772 ( 1.471 -0.269 1.006) 1.802 7.866 ( 4.344 -5.596 -0.018) 7.085======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.245 ( -3.677 -0.276 -1.399) 3.944 2.851 ( -17.512 -0.591 3.054) 17.786 3.362 ( -2.691 9.132 2.955) 9.968 3.450 ( -7.179 -2.599 -5.458) 9.385 3.899 ( 3.756 2.738 0.048) 4.648 4.403 ( -5.366 -4.489 1.140) 7.088 5.918 ( -7.214 0.714 1.973) 7.513 6.075 ( -2.217 -0.495 -1.628) 2.794 6.396 ( -2.535 0.589 -0.845) 2.736 6.636 ( 2.952 5.571 -3.784) 7.353 6.825 ( 5.884 -1.648 2.144) 6.476 7.913 ( 6.492 -3.563 -0.197) 7.408======================= 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 1.64e-04 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.005 ( -0.000 8.156 -5.045) 9.590 2.021 ( -0.000 13.224 -2.361) 13.433 2.914 ( -0.000 3.316 0.496) 3.353 2.986 ( -0.000 15.132 -9.575) 17.907 3.845 ( 0.000 17.585 6.683) 18.812 4.329 ( 0.000 -1.608 6.672) 6.863 5.494 ( 0.000 8.459 2.310) 8.769 6.023 ( 0.000 -2.473 0.533) 2.530 6.237 ( -0.000 -0.567 -1.354) 1.468 6.617 ( -0.000 -1.332 -2.799) 3.100 7.269 ( 0.000 -13.521 1.909) 13.655 8.247 ( -0.000 -2.858 -7.631) 8.148======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.011 ( -0.981 5.880 -5.988) 8.449 2.265 ( 11.155 11.660 -2.679) 16.357 2.993 ( 4.582 3.917 0.878) 6.091 3.120 ( 2.606 11.221 -5.325) 12.691 3.983 ( -1.131 6.975 2.903) 7.639 4.372 ( -0.383 5.861 7.615) 9.617 5.644 ( 6.431 7.889 2.544) 10.491 5.995 ( -1.529 -0.521 -0.195) 1.627 6.240 ( 0.861 1.055 -1.556) 2.068 6.589 ( 0.157 -3.555 -1.555) 3.884 7.133 ( -1.113 -11.987 0.485) 12.048 8.149 ( -5.189 -2.191 -5.887) 8.147======================= 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 1.64e-04 3.35e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.071 ( 2.926 5.218 -3.289) 6.827 2.607 ( 13.921 12.469 -1.299) 18.734 3.131 ( 6.343 3.121 -1.583) 7.245 3.287 ( 6.673 8.327 1.263) 10.745 3.987 ( -1.187 -1.492 2.121) 2.852 4.433 ( -4.141 7.790 2.689) 9.223 5.866 ( 8.560 6.750 2.365) 11.155 5.964 ( -1.847 1.449 -1.402) 2.735 6.279 ( 1.787 2.816 -1.396) 3.615 6.544 ( 0.166 -4.388 -0.933) 4.489 6.993 ( -2.318 -9.857 -0.360) 10.132 8.008 ( -6.575 -1.204 -3.035) 7.341======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.178 ( 3.718 4.664 -1.077) 6.061 2.954 ( 10.132 13.088 0.301) 16.554 3.251 ( 3.986 3.927 -2.791) 6.253 3.534 ( 12.371 4.652 4.632) 14.005 3.955 ( 1.085 -4.927 2.600) 5.675 4.372 ( -9.840 4.149 -2.729) 11.022 5.947 ( -0.647 2.212 -1.313) 2.652 6.074 ( 5.989 5.116 1.934) 8.111 6.321 ( -0.486 1.657 -1.734) 2.447 6.536 ( 3.629 -0.851 -0.597) 3.775 6.859 ( -3.107 -6.377 -0.350) 7.103 7.889 ( -4.734 -1.551 -0.655) 5.024======================= 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 1.64e-04 3.35e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.270 ( 2.161 3.266 -0.367) 3.933 3.200 ( 4.023 10.205 1.512) 11.073 3.323 ( 0.344 3.493 -0.947) 3.635 3.773 ( 5.480 4.185 0.794) 6.941 3.989 ( 8.638 -4.772 2.992) 10.312 4.179 ( -11.104 -0.346 -3.539) 11.659 5.976 ( 1.437 2.938 -1.168) 3.472 6.192 ( 2.941 1.815 2.109) 4.048 6.275 ( -3.070 -1.803 -1.258) 3.776 6.635 ( 3.775 4.663 -1.076) 6.095 6.770 ( -1.799 -1.959 0.324) 2.679 7.806 ( -1.930 -3.225 0.095) 3.759======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.311 ( -0.065 1.620 -0.377) 1.665 3.276 ( -5.755 2.814 0.952) 6.476 3.350 ( 1.549 2.121 1.670) 3.112 3.827 ( -0.302 -0.556 -0.066) 0.636 3.898 ( -14.840 8.020 -3.830) 17.297 4.227 ( 13.933 -6.682 1.778) 15.555 6.040 ( 2.371 2.572 -0.138) 3.501 6.165 ( -6.175 0.092 -0.916) 6.243 6.274 ( 5.453 -2.809 0.893) 6.199 6.696 ( -2.211 5.517 -0.362) 5.954 6.760 ( 0.376 -0.137 -0.115) 0.416 7.765 ( 1.416 -3.277 0.122) 3.572======================= 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 1.64e-04 3.35e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.299 ( -2.362 0.460 -0.709) 2.509 3.113 ( -12.947 -2.261 1.723) 13.255 3.368 ( 0.464 -4.301 -0.709) 4.384 3.697 ( -11.620 8.349 2.041) 14.453 3.886 ( 0.776 4.070 1.158) 4.302 4.341 ( 5.800 -5.950 -2.820) 8.775 6.047 ( -6.736 0.299 0.896) 6.802 6.087 ( 0.302 0.736 -0.584) 0.987 6.351 ( 5.168 -1.810 -1.626) 5.712 6.700 ( -3.075 4.628 -1.162) 5.677 6.741 ( 1.029 -3.670 0.730) 3.880 7.799 ( 4.282 -0.165 0.143) 4.288======================= 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 1.64e-04 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.047 ( -0.000 1.863 -8.154) 8.364 2.226 ( -0.000 9.312 -3.654) 10.004 2.996 ( 0.000 3.678 1.696) 4.050 3.189 ( -0.000 9.044 -2.127) 9.291 4.028 ( 0.000 -1.968 3.624) 4.124 4.506 ( 0.000 12.893 5.727) 14.108 5.661 ( 0.000 5.919 2.453) 6.407 6.016 ( -0.000 1.748 -0.463) 1.808 6.239 ( -0.000 1.942 -1.722) 2.596 6.547 ( 0.000 -4.493 0.334) 4.505 7.031 ( -0.000 -9.688 -1.568) 9.814 8.154 ( -0.000 -2.231 -4.669) 5.175======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.053 ( 2.040 2.580 -4.308) 5.420 2.430 ( 13.428 7.327 -3.442) 15.680 3.070 ( 3.792 3.009 1.140) 4.973 3.287 ( 2.633 6.091 1.305) 6.763 3.989 ( -1.284 -4.747 3.764) 6.193 4.615 ( -3.592 11.030 1.149) 11.657 5.782 ( 6.968 3.969 1.464) 8.152 6.022 ( -2.019 3.675 -1.216) 4.365 6.274 ( 1.561 3.072 -0.918) 3.566 6.497 ( -0.197 -5.406 1.354) 5.577 6.930 ( -1.118 -6.984 -2.508) 7.504 8.084 ( -4.105 -1.367 -2.600) 5.047======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.139 ( 4.602 3.201 -0.828) 5.666 2.783 ( 18.673 7.045 -3.040) 20.188 3.183 ( 5.614 2.110 -0.566) 6.024 3.417 ( 6.297 2.392 5.726) 8.841 3.926 ( -1.513 -4.860 3.108) 5.964 4.594 ( -8.688 6.769 -3.128) 11.450 5.956 ( 6.581 1.663 0.102) 6.788 6.030 ( 0.144 5.142 -0.961) 5.233 6.336 ( 1.223 3.123 -0.570) 3.402 6.455 ( 1.959 -4.777 1.835) 5.480 6.838 ( -1.829 -4.183 -2.164) 5.052 7.979 ( -6.025 -0.536 -0.704) 6.089======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.244 ( 3.802 2.208 0.320) 4.408 3.136 ( 12.902 5.455 -2.450) 14.221 3.296 ( 5.412 2.224 -3.054) 6.600 3.601 ( 12.594 -2.338 8.470) 15.357 3.865 ( -0.872 -4.364 1.843) 4.817 4.443 ( -12.971 4.605 -4.339) 14.432 6.003 ( -0.467 3.710 -1.226) 3.935 6.125 ( 4.190 -1.209 1.431) 4.589 6.338 ( -2.946 1.684 -0.961) 3.527 6.535 ( 8.829 -0.201 1.110) 8.901 6.778 ( -1.263 -1.142 -0.919) 1.935 7.864 ( -6.140 -0.703 0.018) 6.180======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.308 ( 1.751 0.599 0.299) 1.875 3.285 ( 4.640 -2.698 -0.886) 5.440 3.365 ( -0.899 1.817 -1.281) 2.397 3.826 ( -0.165 -0.642 0.104) 0.671 3.865 ( 18.268 -6.080 2.745) 19.448 4.240 ( -14.417 6.123 -1.061) 15.699 6.041 ( 0.797 3.470 -0.253) 3.570 6.156 ( 3.542 -4.812 0.788) 6.027 6.280 ( -5.275 2.342 -0.305) 5.780 6.694 ( 6.498 1.029 -0.004) 6.579 6.758 ( -0.684 -0.035 0.251) 0.730 7.766 ( -3.556 -0.332 -0.088) 3.573======================= 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 1.64e-04 3.35e-04 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.322 ( -0.217 -0.376 -0.000) 0.434 3.257 ( -4.427 -7.668 -0.000) 8.854 3.300 ( -1.762 -3.051 -0.000) 3.523 3.827 ( 0.283 0.491 -0.000) 0.566 4.066 ( -0.145 -0.252 -0.000) 0.290 4.112 ( 1.793 3.106 0.000) 3.587 6.084 ( 0.793 1.374 -0.000) 1.586 6.143 ( -1.906 -3.301 0.000) 3.811 6.254 ( 1.448 2.508 0.000) 2.896 6.715 ( -2.045 -3.542 0.000) 4.090 6.758 ( -0.121 -0.210 -0.000) 0.243 7.761 ( 1.726 2.990 -0.000) 3.453======================= 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 1.64e-04 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.039 ( -0.000 2.035 -2.386) 3.136 2.361 ( -0.000 5.842 -1.298) 5.984 3.065 ( 0.000 1.912 0.847) 2.091 3.320 ( 0.000 3.793 2.661) 4.633 3.961 ( 0.000 -5.232 3.795) 6.464 4.746 ( -0.000 7.804 -2.007) 8.058 5.747 ( -0.000 1.656 0.187) 1.667 6.088 ( -0.000 5.865 -1.191) 5.985 6.287 ( -0.000 3.031 -0.227) 3.039 6.445 ( 0.000 -6.636 2.504) 7.093 6.878 ( -0.000 -3.398 -3.442) 4.837 8.102 ( -0.000 -0.926 -1.276) 1.577======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.096 ( 3.251 3.259 1.154) 4.746 2.533 ( 13.380 4.302 -0.445) 14.061 3.112 ( 3.587 0.408 -0.129) 3.613 3.381 ( 2.508 1.533 5.100) 5.886 3.914 ( -1.067 -4.151 2.846) 5.145 4.750 ( -4.388 3.049 -5.205) 7.459 5.820 ( 7.201 -0.036 -1.019) 7.273 6.121 ( -2.752 6.316 -1.002) 6.962 6.338 ( 1.993 2.863 0.815) 3.582 6.385 ( 0.435 -6.635 2.378) 7.062 6.835 ( -1.467 -0.636 -2.981) 3.382 8.062 ( -3.646 0.046 0.019) 3.647======================= 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 1.64e-04 3.35e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.197 ( 3.836 2.110 1.984) 4.807 2.864 ( 19.012 2.158 -1.693) 19.209 3.189 ( 5.849 -0.659 -1.772) 6.147 3.468 ( 4.537 -1.615 8.422) 9.702 3.864 ( -1.539 -2.304 1.290) 3.056 4.637 ( -7.621 0.137 -5.908) 9.644 5.953 ( 7.834 -1.479 -1.664) 8.144 6.119 ( -2.649 2.622 0.484) 3.759 6.366 ( 2.278 -1.671 0.237) 2.835 6.410 ( 3.260 1.800 2.383) 4.421 6.799 ( -1.888 1.182 -1.807) 2.868 7.978 ( -6.357 0.549 0.425) 6.395======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.270 ( 2.707 -0.233 1.341) 3.030 3.108 ( 9.853 -6.983 -2.888) 12.417 3.325 ( 8.529 3.522 -4.438) 10.240 3.554 ( 7.934 -7.232 8.721) 13.831 3.838 ( -0.318 1.113 0.161) 1.169 4.477 ( -8.669 0.364 -2.611) 9.061 6.029 ( 4.290 -2.572 -1.913) 5.356 6.089 ( -1.401 -1.020 1.881) 2.558 6.380 ( -2.205 2.215 0.492) 3.164 6.549 ( 9.253 1.440 1.539) 9.490 6.781 ( -1.606 1.423 -0.763) 2.278 7.865 ( -6.811 1.016 0.064) 6.886======================= 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 1.64e-04 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.120 ( 0.000 5.018 4.339) 6.634 2.446 ( 0.000 2.242 1.629) 2.771 3.074 ( -0.000 -1.115 -0.540) 1.239 3.390 ( 0.000 0.722 6.171) 6.213 3.895 ( 0.000 -2.911 1.964) 3.512 4.769 ( -0.000 -2.389 -7.908) 8.261 5.740 ( -0.000 -1.425 -2.031) 2.481 6.213 ( -0.000 4.172 -0.326) 4.185 6.330 ( 0.000 -3.357 2.240) 4.035 6.336 ( 0.000 0.984 1.255) 1.595 6.848 ( -0.000 1.952 -2.696) 3.329 8.102 ( 0.000 1.149 0.778) 1.387======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.191 ( 0.745 3.450 4.509) 5.727 2.586 ( 12.784 -0.131 1.278) 12.848 3.086 ( 3.504 -2.109 -1.083) 4.231 3.433 ( 1.750 -0.443 8.350) 8.543 3.871 ( -0.824 -1.034 0.655) 1.476 4.667 ( -2.573 -6.496 -8.771) 11.214 5.780 ( 7.141 -2.643 -2.358) 7.971 6.176 ( -2.350 -3.941 1.100) 4.719 6.322 ( -0.129 0.695 0.812) 1.076 6.409 ( 2.869 4.739 2.198) 5.960 6.852 ( -1.782 3.564 -2.070) 4.490 8.086 ( -4.055 2.027 0.833) 4.609======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.236 ( 1.160 -0.408 2.836) 3.091 2.801 ( 13.679 -8.132 -2.473) 16.105 3.167 ( 8.503 0.347 -1.406) 8.626 3.475 ( 1.113 -3.251 9.089) 9.717 3.861 ( -0.531 2.014 -0.040) 2.083 4.521 ( -2.433 -7.742 -6.068) 10.133 5.878 ( 7.611 -4.439 -2.250) 9.093 6.103 ( -1.281 -3.898 1.610) 4.407 6.353 ( 3.312 -0.571 0.166) 3.365 6.516 ( 1.869 6.486 3.574) 7.638 6.846 ( -2.799 4.482 -1.775) 5.574 8.009 ( -7.206 2.443 0.337) 7.616======================= 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 1.64e-04 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.252 ( 0.000 3.316 4.731) 5.777 2.451 ( 0.000 -3.690 1.949) 4.173 3.026 ( -0.000 -2.642 -0.525) 2.694 3.445 ( 0.000 -0.369 9.913) 9.920 3.878 ( -0.000 0.925 -0.088) 0.929 4.557 ( -0.000 -12.284 -10.386) 16.086 5.674 ( -0.000 -3.394 -2.322) 4.113 6.134 ( 0.000 -6.793 0.997) 6.865 6.335 ( 0.000 -1.836 1.380) 2.297 6.459 ( 0.000 9.371 2.182) 9.622 6.907 ( -0.000 5.207 -1.830) 5.519 8.154 ( -0.000 3.434 0.527) 3.474======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.245 ( -1.956 -1.634 2.809) 3.793 2.498 ( 9.393 -9.372 -1.407) 13.343 3.043 ( 4.819 -1.327 0.414) 5.016 3.472 ( 0.071 -2.165 9.875) 10.110 3.898 ( -0.240 4.030 0.332) 4.050 4.385 ( 0.911 -15.418 -8.902) 17.827 5.692 ( 6.511 -4.517 -1.782) 8.122 6.070 ( -0.308 -5.175 1.027) 5.285 6.316 ( 0.292 -2.104 0.609) 2.210 6.576 ( 1.306 8.395 3.692) 9.263 6.942 ( -2.083 6.553 -1.801) 7.108 8.152 ( -4.727 4.177 -0.249) 6.314======================= 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 1.64e-04 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.246 ( 0.000 -6.218 -0.600) 6.247 2.294 ( 0.000 -12.322 -1.387) 12.400 2.986 ( 0.000 -1.471 1.527) 2.120 3.475 ( 0.000 -4.098 8.650) 9.572 3.956 ( 0.000 5.385 2.971) 6.150 4.161 ( -0.000 -18.870 -9.397) 21.081 5.581 ( 0.000 -4.695 -0.617) 4.736 6.031 ( 0.000 -3.326 0.620) 3.383 6.289 ( 0.000 -2.882 0.270) 2.895 6.662 ( 0.000 8.044 4.280) 9.112 7.030 ( -0.000 7.980 -1.593) 8.137 8.240 ( -0.000 5.287 -1.584) 5.519======================= 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 1.64e-04 3.35e-04 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.723 ( 0.000 0.000 21.909) 21.909 0.723 ( 0.000 0.000 21.909) 21.909 1.195 ( 0.000 0.000 37.452) 37.452 2.871 ( -0.000 -0.000 -3.823) 3.823 2.871 ( -0.000 -0.000 -3.823) 3.823 5.032 ( -0.000 -0.000 -16.232) 16.232 5.142 ( -0.000 -0.000 -2.401) 2.401 5.142 ( -0.000 -0.000 -2.401) 2.401 6.365 ( 0.000 0.000 1.641) 1.641 6.365 ( 0.000 0.000 1.641) 1.641 7.976 ( 0.000 0.000 7.708) 7.708 8.504 ( -0.000 -0.000 -2.933) 2.933======================= 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 1.64e-04 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.806 ( 6.341 3.661 17.976) 19.410 0.978 ( 7.859 4.537 23.094) 24.813 1.557 ( 19.722 11.387 19.640) 30.073 2.885 ( 1.507 0.870 -3.576) 3.977 2.923 ( 6.614 3.819 -2.315) 7.980 4.640 ( -7.138 -4.121 -6.626) 10.575 5.195 ( 3.787 2.186 -2.167) 4.880 5.936 ( 33.975 19.616 -25.462) 46.769 6.332 ( -2.522 -1.456 1.566) 3.307 6.349 ( -2.482 -1.433 0.854) 2.991 7.945 ( -4.758 -2.747 7.894) 9.618 8.469 ( -3.013 -1.740 -5.139) 6.206======================= 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 1.64e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.092 ( 13.272 7.662 10.731) 18.708 1.230 ( 8.076 4.663 18.035) 20.303 2.093 ( 22.213 12.824 -1.323) 25.683 2.917 ( 2.086 1.204 -3.099) 3.925 3.175 ( 14.307 8.260 4.663) 17.166 4.525 ( -2.002 -1.156 -6.361) 6.768 5.302 ( 5.821 3.361 -1.813) 6.961 6.258 ( -5.031 -2.905 0.246) 5.815 6.265 ( -3.422 -1.976 1.387) 4.188 6.463 ( 18.547 10.708 -16.135) 26.814 7.819 ( -7.967 -4.600 8.550) 12.560 8.312 ( -8.293 -4.788 -8.147) 12.572======================= 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 1.64e-04 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.460 ( 15.530 8.966 5.355) 18.714 1.474 ( 9.292 5.365 7.632) 13.167 2.568 ( 20.098 11.604 -8.473) 24.706 2.961 ( 2.410 1.392 -2.416) 3.685 3.565 ( 15.808 9.127 7.996) 19.928 4.487 ( -0.185 -0.107 -2.760) 2.769 5.447 ( 6.756 3.901 -1.056) 7.873 6.134 ( -5.112 -2.951 -0.052) 5.903 6.196 ( -2.527 -1.459 0.910) 3.056 6.725 ( 7.409 4.277 -8.774) 12.254 7.630 ( -11.306 -6.528 8.279) 15.459 8.079 ( -7.340 -4.238 -9.139) 12.465======================= 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 1.64e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.711 ( 9.841 5.682 0.149) 11.365 1.828 ( 14.727 8.503 1.837) 17.104 2.977 ( 17.031 9.833 -7.205) 20.944 3.010 ( 2.308 1.333 -1.557) 3.086 3.901 ( 10.392 6.000 5.336) 13.132 4.491 ( 0.444 0.256 1.826) 1.897 5.591 ( 5.289 3.053 0.362) 6.117 6.041 ( -2.543 -1.468 -0.305) 2.952 6.170 ( 0.525 0.303 -0.110) 0.616 6.767 ( -0.797 -0.460 -6.230) 6.298 7.317 ( -16.498 -9.525 2.635) 19.231 7.984 ( 0.654 0.377 -3.089) 3.180======================= 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 1.64e-04 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.924 ( 8.795 5.078 -3.619) 10.781 2.143 ( 11.860 6.848 -0.415) 13.701 3.053 ( 1.572 0.908 -0.589) 1.908 3.298 ( 12.179 7.032 -6.553) 15.515 4.073 ( 3.295 1.902 1.949) 4.274 4.506 ( -0.297 -0.172 6.105) 6.114 5.680 ( 1.985 1.146 1.870) 2.958 6.021 ( 1.044 0.603 -1.110) 1.638 6.222 ( 3.808 2.199 -1.209) 4.560 6.700 ( -2.491 -1.438 -5.159) 5.907 6.944 ( -14.737 -8.508 1.744) 17.106 8.032 ( 2.870 1.657 -0.196) 3.320======================= 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 1.64e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.093 ( 6.895 3.981 -5.092) 9.450 2.369 ( 7.701 4.446 -1.731) 9.059 3.074 ( 0.181 0.105 0.303) 0.368 3.493 ( 6.802 3.927 -8.696) 11.718 4.065 ( -3.501 -2.021 -2.689) 4.855 4.531 ( -0.027 -0.015 12.083) 12.083 5.705 ( -0.200 -0.116 2.464) 2.474 6.082 ( 4.488 2.591 -1.093) 5.297 6.312 ( 3.678 2.124 -1.528) 4.514 6.574 ( -8.176 -4.720 -5.389) 10.871 6.741 ( -2.073 -1.197 5.038) 5.577 8.089 ( 1.863 1.076 -0.453) 2.198======================= 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 1.64e-04 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.215 ( 5.004 2.889 -4.627) 7.403 2.484 ( 2.531 1.461 -2.008) 3.546 3.062 ( -1.318 -0.761 0.657) 1.657 3.571 ( 3.001 1.733 -12.159) 12.644 3.943 ( -4.805 -2.774 -2.634) 6.142 4.551 ( -2.965 -1.712 13.921) 14.336 5.694 ( -1.418 -0.819 2.346) 2.861 6.206 ( 4.303 2.484 0.329) 4.980 6.363 ( 0.933 0.539 -1.360) 1.735 6.387 ( -4.139 -2.389 -3.368) 5.847 6.779 ( 2.931 1.692 3.923) 5.182 8.119 ( 1.184 0.684 -0.799) 1.583======================= 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 1.64e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.287 ( 1.638 0.945 -2.332) 3.003 2.465 ( -3.946 -2.278 -0.832) 4.632 3.024 ( -1.757 -1.014 -0.109) 2.031 3.557 ( -0.552 -0.319 -12.720) 12.736 3.881 ( 0.565 0.326 -0.690) 0.950 4.449 ( -9.882 -5.705 11.582) 16.258 5.654 ( -2.589 -1.495 1.745) 3.461 6.143 ( -5.886 -3.398 -0.713) 6.834 6.347 ( -1.814 -1.047 -0.964) 2.306 6.482 ( 8.726 5.038 -2.454) 10.370 6.884 ( 4.992 2.882 2.834) 6.424 8.156 ( 2.388 1.379 0.276) 2.771======================= 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 1.64e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.963 ( 0.000 15.041 17.615) 23.163 1.058 ( 0.000 13.255 15.110) 20.100 1.602 ( 0.000 16.802 24.016) 29.310 2.834 ( -0.000 0.015 -4.172) 4.172 2.940 ( -0.000 7.918 -2.777) 8.391 4.619 ( -0.000 -9.167 -7.023) 11.548 5.126 ( -0.000 1.572 -2.039) 2.575 5.882 ( -0.000 38.166 -22.317) 44.212 6.327 ( 0.000 -3.879 1.108) 4.034 6.367 ( 0.000 -1.505 1.430) 2.076 7.966 ( 0.000 -6.266 8.001) 10.163 8.472 ( -0.000 -1.069 -5.560) 5.662======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.161 ( 0.626 18.363 10.525) 21.175 1.300 ( 3.179 12.371 18.644) 22.599 1.950 ( 11.056 19.063 4.063) 22.409 2.877 ( 4.082 1.457 -3.403) 5.510 3.077 ( 7.048 10.426 1.986) 12.741 4.508 ( -1.360 -3.679 -6.812) 7.861 5.213 ( 6.359 2.676 -1.671) 7.099 6.249 ( 4.506 4.502 -6.466) 9.077 6.288 ( 6.083 11.452 -9.084) 15.833 6.325 ( -2.606 -1.464 0.430) 3.020 7.880 ( -3.695 -8.945 8.177) 12.670 8.381 ( -6.037 -2.848 -7.664) 10.163======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.435 ( 6.241 17.216 5.014) 18.986 1.512 ( 1.351 12.799 14.656) 19.505 2.360 ( 15.703 16.958 -8.121) 24.497 2.946 ( 2.079 3.644 -3.484) 5.453 3.409 ( 14.989 10.252 7.259) 19.557 4.457 ( 0.624 -1.816 -4.228) 4.644 5.367 ( 7.168 5.028 -1.321) 8.855 6.161 ( -3.286 -5.471 0.149) 6.384 6.250 ( -3.686 -1.110 0.972) 3.970 6.593 ( 10.118 8.611 -9.656) 16.425 7.724 ( -6.049 -10.507 8.599) 14.863 8.169 ( -10.042 -3.284 -9.319) 14.088======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.673 ( 4.655 9.995 2.865) 11.392 1.786 ( 7.072 18.398 6.026) 20.611 2.779 ( 16.434 14.580 -7.273) 23.142 3.004 ( 1.302 4.303 -2.803) 5.297 3.775 ( 13.030 6.924 5.276) 15.670 4.459 ( 2.124 -1.540 -0.359) 2.648 5.545 ( 6.154 6.781 -0.541) 9.173 6.056 ( -2.669 -4.144 -0.187) 4.933 6.195 ( -2.184 0.594 0.624) 2.348 6.723 ( 2.931 0.270 -6.636) 7.259 7.482 ( -12.212 -11.684 4.700) 17.543 7.987 ( -3.616 -0.816 -4.955) 6.188======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.860 ( 5.483 8.579 -0.440) 10.191 2.105 ( 6.774 16.927 2.504) 18.403 3.057 ( 0.794 4.107 -1.789) 4.550 3.156 ( 12.831 12.051 -5.434) 18.423 4.010 ( 7.022 2.311 2.302) 7.743 4.484 ( 2.319 -2.550 2.775) 4.425 5.695 ( 2.477 7.111 0.814) 7.574 5.998 ( 0.103 -2.156 -0.805) 2.304 6.201 ( 1.096 2.658 -0.228) 2.884 6.695 ( -1.152 -2.639 -5.457) 6.171 7.126 ( -15.343 -9.686 1.231) 18.186 7.982 ( 2.931 -0.523 0.038) 2.978======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.026 ( 5.013 6.775 -2.761) 8.868 2.366 ( 3.875 14.931 0.444) 15.432 3.096 ( -0.452 3.439 -0.438) 3.496 3.415 ( 6.742 8.731 -6.724) 12.919 4.074 ( -0.422 -1.900 -1.357) 2.373 4.517 ( 3.471 -3.082 7.627) 8.928 5.773 ( -1.954 6.723 1.946) 7.266 6.015 ( 3.666 -0.194 -1.137) 3.843 6.275 ( 3.328 3.470 -0.931) 4.897 6.615 ( -3.343 -3.380 -5.812) 7.509 6.826 ( -9.260 -4.769 3.937) 11.135 8.035 ( 3.648 -1.676 0.340) 4.029======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.152 ( 4.052 4.665 -4.071) 7.399 2.537 ( -0.423 12.801 -0.766) 12.831 3.103 ( -2.147 2.333 0.658) 3.239 3.528 ( 1.667 5.203 -9.597) 11.043 3.978 ( -4.308 -4.110 -3.470) 6.891 4.581 ( 2.278 -2.891 11.781) 12.342 5.785 ( -4.502 6.079 2.246) 7.891 6.113 ( 6.776 1.044 -0.249) 6.860 6.357 ( 2.166 2.960 -1.152) 3.845 6.452 ( -7.181 -3.733 -3.906) 8.986 6.762 ( 0.946 -0.177 4.062) 4.174 8.069 ( 2.938 -2.627 -0.594) 3.986======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.234 ( 2.938 1.674 -3.991) 5.230 2.595 ( -6.141 9.698 -0.587) 11.494 3.076 ( -3.293 1.846 0.813) 3.862 3.531 ( -0.918 1.681 -11.686) 11.842 3.880 ( -1.384 -1.954 -1.008) 2.598 4.570 ( -4.585 -4.397 11.121) 12.807 5.757 ( -5.930 4.980 2.175) 8.043 6.184 ( -1.589 -3.572 -0.458) 3.936 6.333 ( 0.125 -0.391 -1.361) 1.422 6.431 ( 2.887 5.364 -2.336) 6.525 6.827 ( 4.376 0.659 2.943) 5.315 8.093 ( 3.640 -2.703 -0.568) 4.569======================= 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 1.64e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.417 ( 0.000 14.806 6.750) 16.272 1.419 ( 0.000 18.240 11.882) 21.769 2.111 ( -0.000 23.784 2.608) 23.927 2.823 ( -0.000 1.315 -2.972) 3.250 3.150 ( 0.000 13.015 2.827) 13.318 4.459 ( -0.000 -3.673 -5.327) 6.470 5.185 ( -0.000 5.203 -0.426) 5.220 6.219 ( 0.000 -4.603 0.189) 4.607 6.327 ( 0.000 -2.849 0.573) 2.906 6.348 ( -0.000 18.620 -12.352) 22.344 7.828 ( 0.000 -12.289 7.579) 14.438 8.385 ( -0.000 -2.645 -8.801) 9.190======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.568 ( 0.349 16.219 2.640) 16.436 1.676 ( 3.081 14.668 10.327) 18.201 2.364 ( 3.620 22.813 -7.489) 24.282 2.898 ( 5.628 2.682 -3.307) 7.058 3.360 ( 6.379 14.354 7.363) 17.348 4.415 ( 0.221 -2.308 -2.772) 3.614 5.303 ( 5.868 6.729 0.181) 8.930 6.149 ( -1.752 -5.874 0.688) 6.168 6.283 ( -1.720 -2.368 0.159) 2.931 6.524 ( 5.247 10.645 -7.846) 14.227 7.696 ( -2.306 -13.993 7.245) 15.925 8.264 ( -6.824 -2.672 -9.820) 12.253======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.736 ( 1.864 11.700 -0.203) 11.850 1.928 ( 3.986 18.611 7.937) 20.621 2.682 ( 10.707 19.646 -6.979) 23.437 3.002 ( 3.513 4.075 -4.096) 6.762 3.666 ( 9.757 10.887 5.520) 15.627 4.406 ( 1.489 -1.961 0.424) 2.499 5.503 ( 7.391 8.581 0.366) 11.331 6.056 ( -2.528 -4.876 0.262) 5.499 6.236 ( -1.731 -0.489 -0.022) 1.799 6.650 ( 3.675 1.736 -5.109) 6.528 7.515 ( -4.900 -14.434 5.989) 16.377 8.068 ( -8.303 -1.189 -8.063) 11.635======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.883 ( 3.101 9.640 -0.502) 10.139 2.227 ( 4.406 20.474 5.472) 21.646 3.048 ( 9.813 13.275 -4.624) 17.144 3.090 ( 4.508 7.898 -2.615) 9.462 3.911 ( 7.635 4.635 1.316) 9.028 4.420 ( 1.971 -3.069 2.315) 4.320 5.716 ( 5.596 9.849 0.684) 11.349 5.978 ( -1.289 -3.186 -0.335) 3.453 6.223 ( -0.351 1.963 -0.205) 2.005 6.656 ( 0.231 -2.846 -4.481) 5.313 7.256 ( -10.460 -12.242 2.134) 16.243 7.951 ( -1.625 -0.917 -2.294) 2.957======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.029 ( 3.252 8.215 -0.787) 8.870 2.509 ( 2.256 20.096 3.770) 20.571 3.140 ( 0.478 5.011 -1.620) 5.288 3.383 ( 7.816 13.224 -4.421) 15.984 4.033 ( 3.214 -0.229 -0.631) 3.284 4.422 ( 3.153 -5.646 3.597) 7.400 5.880 ( 0.862 9.742 1.554) 9.902 5.955 ( 1.798 -1.050 -1.120) 2.364 6.262 ( 1.748 3.213 -0.368) 3.676 6.602 ( -1.008 -2.949 -4.341) 5.344 6.961 ( -11.054 -7.445 1.594) 13.422 7.949 ( 2.842 -2.838 0.432) 4.040======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.148 ( 2.154 6.374 -1.679) 6.935 2.725 ( -1.360 18.860 2.465) 19.069 3.177 ( -1.670 4.435 0.211) 4.744 3.553 ( 0.875 9.239 -7.589) 11.989 3.993 ( -3.687 -3.988 -3.640) 6.539 4.482 ( 7.573 -5.624 8.194) 12.495 5.940 ( -2.620 6.196 1.372) 6.865 6.024 ( 3.920 3.414 -0.383) 5.212 6.332 ( 2.991 1.849 -0.198) 3.522 6.520 ( -4.807 -1.509 -4.345) 6.653 6.784 ( -3.614 -2.232 3.112) 5.266 7.971 ( 3.541 -4.569 0.075) 5.781======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.219 ( 0.827 3.955 -2.535) 4.770 2.847 ( -6.528 16.260 1.815) 17.615 3.172 ( -3.573 3.909 1.618) 5.538 3.561 ( -3.685 4.078 -10.556) 11.902 3.878 ( -2.135 -3.463 -1.666) 4.396 4.566 ( 3.573 -5.208 8.443) 10.544 5.936 ( -5.663 6.139 1.655) 8.515 6.123 ( 3.993 -0.214 -0.359) 4.015 6.371 ( -1.723 0.225 -0.572) 1.830 6.435 ( -0.668 3.783 -2.619) 4.649 6.778 ( 2.007 -0.267 2.289) 3.056 7.982 ( 3.864 -5.344 -0.477) 6.611======================= 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 1.64e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.733 ( -0.000 14.351 -0.452) 14.358 1.786 ( 0.000 12.376 2.618) 12.650 2.557 ( -0.000 22.839 -10.446) 25.114 2.853 ( -0.000 2.774 -0.466) 2.813 3.503 ( 0.000 17.523 9.084) 19.738 4.388 ( 0.000 -1.865 0.113) 1.869 5.327 ( 0.000 8.220 1.603) 8.375 6.110 ( 0.000 -5.449 0.960) 5.533 6.268 ( -0.000 -2.699 -0.694) 2.787 6.557 ( -0.000 7.352 -4.687) 8.719 7.584 ( 0.000 -15.755 5.689) 16.750 8.267 ( -0.000 -2.399 -10.272) 10.548======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.830 ( -0.809 10.268 -3.648) 10.927 1.999 ( 8.015 13.484 0.459) 15.693 2.757 ( 2.612 20.186 -6.548) 21.382 2.940 ( 5.186 3.442 -2.224) 6.610 3.727 ( 1.893 16.067 6.954) 17.610 4.380 ( 0.281 -1.208 3.115) 3.352 5.475 ( 5.769 9.100 1.966) 10.952 6.048 ( -1.647 -4.294 0.577) 4.635 6.239 ( -0.206 -1.405 -1.067) 1.776 6.610 ( 1.474 1.619 -2.437) 3.276 7.427 ( -1.328 -15.856 4.334) 16.491 8.158 ( -5.854 -1.441 -9.176) 10.979======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.923 ( 2.280 8.258 -2.998) 9.076 2.314 ( 9.816 16.055 1.328) 18.865 3.029 ( 8.167 16.866 -2.442) 18.898 3.056 ( 4.971 3.675 -2.400) 6.631 3.901 ( 1.461 9.075 1.753) 9.358 4.390 ( 0.085 -0.759 4.220) 4.289 5.700 ( 7.724 9.732 1.530) 12.519 5.978 ( -2.077 -2.683 -0.070) 3.394 6.235 ( 0.513 0.969 -0.991) 1.478 6.612 ( 0.236 -2.567 -1.914) 3.210 7.245 ( -3.471 -14.442 2.376) 15.042 8.010 ( -6.345 -0.342 -5.383) 8.328======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.050 ( 3.522 7.456 -1.123) 8.322 2.645 ( 7.283 17.610 2.381) 19.205 3.155 ( 2.938 4.763 -2.345) 6.067 3.356 ( 10.460 13.367 -0.116) 16.973 3.984 ( 2.000 2.195 -0.154) 2.974 4.367 ( -1.982 -3.211 1.890) 4.221 5.926 ( 5.526 9.080 0.529) 10.643 5.932 ( -0.438 -0.474 0.114) 0.655 6.268 ( 1.116 2.719 -0.791) 3.044 6.571 ( -0.273 -2.891 -1.960) 3.503 7.033 ( -6.384 -10.506 0.672) 12.312 7.916 ( -2.256 -1.382 -1.207) 2.908======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.172 ( 2.475 6.165 -0.511) 6.663 2.922 ( 2.830 17.435 3.152) 17.942 3.234 ( 0.878 4.918 -0.717) 5.047 3.612 ( 3.766 11.382 -3.048) 12.370 4.010 ( -1.547 -0.504 -2.599) 3.066 4.305 ( 3.663 -8.228 3.704) 9.738 5.937 ( 1.816 0.538 -0.430) 1.943 6.087 ( 1.536 8.304 0.812) 8.483 6.304 ( 0.988 0.263 -0.060) 1.024 6.554 ( -0.178 1.494 -2.384) 2.819 6.844 ( -5.581 -5.100 1.068) 7.636 7.880 ( 0.985 -3.876 0.171) 4.003======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.250 ( 0.508 4.338 -0.827) 4.445 3.107 ( -2.224 14.990 3.328) 15.515 3.273 ( -1.790 4.634 1.762) 5.271 3.683 ( -5.620 9.030 -7.968) 13.289 3.887 ( -5.148 -3.712 -2.953) 7.000 4.393 ( 10.858 -7.869 5.944) 14.668 5.996 ( 3.064 1.619 0.274) 3.476 6.135 ( -3.187 3.631 -0.565) 4.864 6.329 ( 3.435 -1.826 0.911) 3.996 6.550 ( -4.362 6.572 -1.937) 8.122 6.767 ( -0.464 -0.882 1.144) 1.518 7.864 ( 2.597 -5.654 -0.024) 6.222======================= 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 1.64e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.944 ( -0.000 5.617 -7.323) 9.230 1.989 ( -0.000 12.580 -4.107) 13.233 2.910 ( -0.000 17.556 -5.831) 18.499 2.925 ( 0.000 3.806 1.642) 4.145 3.904 ( 0.000 14.680 5.319) 15.614 4.391 ( 0.000 1.136 5.924) 6.032 5.519 ( 0.000 8.698 2.801) 9.138 6.028 ( 0.000 -2.814 0.424) 2.846 6.221 ( -0.000 -0.861 -1.761) 1.960 6.602 ( -0.000 -0.529 -0.181) 0.560 7.288 ( 0.000 -15.458 2.074) 15.597 8.167 ( -0.000 -1.259 -8.492) 8.585======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.953 ( 0.505 5.700 -5.749) 8.112 2.229 ( 12.439 10.964 -4.421) 17.160 3.005 ( 3.823 3.802 1.424) 5.577 3.086 ( 3.251 14.091 -1.694) 14.560 4.008 ( -1.827 6.361 2.246) 6.989 4.437 ( -1.203 5.197 5.618) 7.747 5.668 ( 6.160 7.818 2.256) 10.206 5.993 ( -1.744 -1.010 -0.192) 2.024 6.224 ( 1.071 1.047 -1.544) 2.151 6.585 ( -0.302 -2.864 0.855) 3.004 7.137 ( -0.776 -13.801 0.225) 13.824 8.090 ( -4.561 -0.455 -5.966) 7.523======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.044 ( 4.090 5.754 -2.194) 7.393 2.584 ( 15.652 11.499 -3.182) 19.680 3.122 ( 4.687 3.630 -0.199) 5.932 3.308 ( 7.995 10.272 2.947) 13.346 4.008 ( -1.767 -0.096 1.909) 2.603 4.450 ( -5.415 4.955 0.760) 7.379 5.884 ( 8.673 6.746 1.144) 11.047 5.954 ( -2.135 0.809 -0.746) 2.402 6.268 ( 1.734 2.905 -0.957) 3.516 6.545 ( -0.534 -3.522 1.129) 3.737 6.986 ( -1.811 -11.075 -0.903) 11.259 7.981 ( -5.625 -0.019 -2.585) 6.191======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.171 ( 4.019 5.016 -0.304) 6.435 2.947 ( 12.181 11.906 -1.776) 17.126 3.233 ( 3.831 3.745 -0.765) 5.412 3.577 ( 10.541 6.882 4.042) 13.221 3.982 ( 0.921 -3.682 2.849) 4.746 4.341 ( -10.171 1.855 -3.496) 10.914 5.938 ( -0.665 1.970 -0.570) 2.156 6.088 ( 6.404 5.274 0.689) 8.325 6.308 ( -0.491 1.389 -0.905) 1.729 6.537 ( 2.556 0.007 0.918) 2.716 6.853 ( -2.388 -6.888 -0.761) 7.329 7.884 ( -4.215 -1.187 -0.444) 4.401======================= 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 1.64e-04 3.35e-04 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.268 ( 2.001 3.466 -0.000) 4.002 3.208 ( 5.312 9.200 -0.000) 10.623 3.318 ( 1.768 3.063 -0.000) 3.537 3.777 ( 3.003 5.202 -0.000) 6.006 4.006 ( 0.254 0.441 -0.000) 0.509 4.160 ( -3.054 -5.290 -0.000) 6.108 5.970 ( 1.648 2.854 -0.000) 3.296 6.203 ( 1.606 2.782 -0.000) 3.212 6.269 ( -1.607 -2.784 -0.000) 3.214 6.630 ( 3.025 5.240 -0.000) 6.050 6.772 ( -1.293 -2.240 -0.000) 2.586 7.806 ( -1.863 -3.227 -0.000) 3.726======================= 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 1.64e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.974 ( -0.000 3.280 -6.616) 7.384 2.192 ( -0.000 10.052 -3.325) 10.588 3.014 ( 0.000 3.444 1.802) 3.887 3.183 ( -0.000 10.899 0.700) 10.921 4.060 ( 0.000 -1.014 2.799) 2.977 4.549 ( 0.000 9.744 3.080) 10.219 5.682 ( 0.000 5.257 1.750) 5.541 6.011 ( -0.000 1.280 -0.415) 1.346 6.224 ( -0.000 2.347 -1.314) 2.690 6.561 ( 0.000 -3.910 2.682) 4.741 7.012 ( -0.000 -11.203 -2.168) 11.411 8.108 ( -0.000 -0.373 -4.515) 4.531======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.020 ( 3.131 4.333 -2.216) 5.787 2.399 ( 12.910 8.421 -2.789) 15.664 3.081 ( 3.411 2.611 1.014) 4.413 3.311 ( 3.433 7.494 3.600) 8.995 4.025 ( -1.514 -4.241 3.431) 5.661 4.612 ( -4.140 8.160 -1.866) 9.339 5.790 ( 6.916 3.140 0.279) 7.600 6.012 ( -2.157 3.346 -0.734) 4.048 6.268 ( 1.628 3.686 -0.322) 4.043 6.521 ( -0.536 -5.049 3.408) 6.115 6.901 ( -0.672 -7.789 -3.362) 8.511 8.061 ( -3.765 0.125 -2.162) 4.344======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.137 ( 4.752 4.228 0.457) 6.377 2.753 ( 18.098 7.601 -3.034) 19.862 3.179 ( 4.886 1.564 -0.294) 5.139 3.481 ( 7.438 3.724 7.049) 10.903 3.958 ( -1.711 -5.275 3.473) 6.543 4.551 ( -8.979 5.407 -5.796) 11.977 5.952 ( 6.030 1.049 -0.862) 6.181 6.024 ( 1.168 5.245 -0.278) 5.381 6.332 ( 0.607 3.422 -0.200) 3.482 6.481 ( 1.601 -4.635 3.371) 5.951 6.813 ( -1.055 -4.214 -2.806) 5.171 7.973 ( -5.809 0.208 -0.408) 5.827======================= 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 1.64e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.031 ( -0.000 4.785 0.636) 4.828 2.353 ( -0.000 7.067 -0.231) 7.071 3.072 ( 0.000 1.299 0.505) 1.393 3.358 ( 0.000 4.897 4.943) 6.958 3.999 ( 0.000 -5.555 3.864) 6.767 4.709 ( -0.000 5.394 -5.692) 7.842 5.742 ( -0.000 0.754 -1.030) 1.277 6.078 ( -0.000 5.716 -0.701) 5.759 6.289 ( 0.000 3.654 0.588) 3.701 6.477 ( 0.000 -6.980 4.020) 8.055 6.839 ( -0.000 -3.185 -4.503) 5.516 8.092 ( -0.000 0.364 -0.749) 0.833======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.117 ( 2.770 4.940 2.937) 6.380 2.532 ( 12.415 5.392 0.237) 13.537 3.109 ( 3.313 -0.199 -0.439) 3.348 3.444 ( 3.242 2.518 7.590) 8.629 3.944 ( -1.271 -5.129 3.296) 6.228 4.682 ( -4.145 1.736 -8.711) 9.802 5.806 ( 7.325 -0.621 -1.856) 7.582 6.114 ( -2.635 6.557 -0.434) 7.080 6.346 ( 1.810 3.241 0.992) 3.842 6.415 ( 0.374 -7.237 3.519) 8.056 6.801 ( -1.096 0.069 -3.805) 3.961 8.064 ( -3.670 0.744 0.365) 3.762======================= 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 1.64e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.167 ( 0.000 6.038 5.040) 7.865 2.464 ( 0.000 2.853 2.020) 3.496 3.068 ( -0.000 -1.450 -0.666) 1.596 3.465 ( 0.000 1.771 9.313) 9.480 3.918 ( 0.000 -4.232 2.495) 4.913 4.674 ( -0.000 -3.164 -11.249) 11.686 5.717 ( -0.000 -1.705 -2.435) 2.973 6.209 ( -0.000 5.049 -0.363) 5.062 6.349 ( 0.000 1.150 1.459) 1.858 6.356 ( 0.000 -4.338 2.993) 5.271 6.817 ( -0.000 2.800 -3.563) 4.531 8.111 ( 0.000 1.401 0.887) 1.658======================= 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 1.64e-04 3.35e-04 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.922 ( 0.000 0.000 18.451) 18.451 0.922 ( 0.000 0.000 18.451) 18.451 1.541 ( 0.000 0.000 32.810) 32.810 2.830 ( -0.000 -0.000 -4.309) 4.309 2.830 ( -0.000 -0.000 -4.309) 4.309 4.864 ( -0.000 -0.000 -17.540) 17.540 5.119 ( -0.000 -0.000 -2.329) 2.329 5.119 ( -0.000 -0.000 -2.329) 2.329 6.381 ( 0.000 0.000 1.580) 1.580 6.381 ( 0.000 0.000 1.580) 1.580 8.056 ( 0.000 0.000 8.422) 8.422 8.471 ( -0.000 -0.000 -3.950) 3.950======================= 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 1.64e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.977 ( 4.180 2.413 16.725) 17.407 1.189 ( 10.128 5.847 19.432) 22.679 1.731 ( 8.585 4.956 15.630) 18.508 2.847 ( 1.733 1.001 -4.131) 4.590 2.909 ( 8.973 5.181 -0.577) 10.377 4.563 ( -6.997 -4.040 -8.711) 11.881 5.172 ( 3.856 2.226 -2.581) 5.147 5.729 ( 32.751 18.909 -16.957) 41.446 6.348 ( -2.541 -1.467 1.699) 3.390 6.357 ( -2.941 -1.698 0.766) 3.481 8.026 ( -4.726 -2.728 8.483) 10.086 8.416 ( -4.069 -2.349 -5.666) 7.361======================= 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 1.64e-04 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.204 ( 10.640 6.143 11.756) 17.004 1.423 ( 4.110 2.373 20.840) 21.374 2.051 ( 17.889 10.328 -6.994) 21.808 2.883 ( 2.414 1.394 -3.675) 4.613 3.229 ( 16.396 9.466 5.786) 19.797 4.458 ( -0.855 -0.493 -6.991) 7.060 5.280 ( 6.067 3.503 -2.651) 7.490 6.257 ( -4.414 -2.548 -0.799) 5.159 6.281 ( -3.536 -2.042 1.754) 4.444 6.324 ( 20.800 12.009 -11.828) 26.772 7.907 ( -7.645 -4.414 9.318) 12.835 8.232 ( -9.370 -5.410 -8.217) 13.587======================= 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 1.64e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.522 ( 13.488 7.787 7.060) 17.099 1.567 ( 4.817 2.781 11.030) 12.353 2.486 ( 20.493 11.832 -7.909) 24.950 2.934 ( 2.821 1.629 -3.005) 4.431 3.634 ( 15.417 8.901 5.628) 18.670 4.454 ( 1.665 0.961 -3.676) 4.149 5.430 ( 7.311 4.221 -2.251) 8.737 6.133 ( -5.099 -2.944 -0.219) 5.892 6.208 ( -2.856 -1.649 1.583) 3.659 6.642 ( 8.755 5.055 -7.929) 12.848 7.704 ( -13.561 -7.830 6.143) 16.821 8.006 ( -5.262 -3.038 -5.105) 7.935======================= 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 1.64e-04 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.732 ( 7.016 4.051 4.166) 9.110 1.855 ( 13.258 7.654 3.577) 15.721 2.915 ( 17.535 10.124 -5.176) 20.898 2.992 ( 2.786 1.609 -2.168) 3.880 3.943 ( 9.524 5.499 3.064) 11.417 4.497 ( 2.246 1.297 -0.668) 2.678 5.588 ( 6.202 3.580 -1.064) 7.240 6.037 ( -2.733 -1.578 -0.355) 3.176 6.174 ( -0.118 -0.068 0.860) 0.870 6.705 ( -0.168 -0.097 -6.076) 6.079 7.331 ( -17.436 -10.067 0.366) 20.137 7.978 ( 1.747 1.009 1.807) 2.709======================= 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 1.64e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.906 ( 6.989 4.035 -0.116) 8.071 2.146 ( 10.816 6.245 1.056) 12.534 3.044 ( 2.087 1.205 -1.177) 2.682 3.241 ( 11.521 6.652 -5.025) 14.221 4.085 ( 1.762 1.017 0.427) 2.078 4.551 ( 2.476 1.429 3.025) 4.162 5.693 ( 2.744 1.584 0.736) 3.253 6.012 ( 0.817 0.472 -0.664) 1.154 6.214 ( 3.281 1.895 -0.403) 3.811 6.647 ( -2.693 -1.555 -5.469) 6.291 6.965 ( -13.193 -7.617 2.402) 15.422 8.041 ( 2.411 1.392 1.913) 3.378======================= 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 1.64e-04 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.051 ( 5.981 3.453 -3.311) 7.659 2.356 ( 7.052 4.072 -0.834) 8.186 3.075 ( 0.610 0.352 -0.110) 0.713 3.416 ( 5.406 3.121 -6.987) 9.369 4.035 ( -4.486 -2.590 -3.425) 6.210 4.636 ( 2.378 1.373 9.128) 9.532 5.727 ( 0.069 0.040 1.982) 1.983 6.075 ( 4.754 2.745 -0.148) 5.492 6.298 ( 3.542 2.045 -1.219) 4.267 6.522 ( -6.803 -3.928 -5.083) 9.356 6.792 ( -2.561 -1.479 5.126) 5.918 8.087 ( 1.264 0.730 0.143) 1.467======================= 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 1.64e-04 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.135 ( 0.000 13.102 17.121) 21.559 1.187 ( 0.000 10.474 10.843) 15.076 1.808 ( 0.000 8.417 17.583) 19.494 2.795 ( -0.000 0.295 -3.600) 3.612 2.919 ( -0.000 9.649 -1.292) 9.735 4.540 ( -0.000 -8.037 -8.820) 11.933 5.110 ( -0.000 1.968 -1.123) 2.266 5.702 ( -0.000 36.516 -14.700) 39.364 6.338 ( 0.000 -4.255 1.241) 4.432 6.378 ( 0.000 -1.705 0.940) 1.947 8.047 ( 0.000 -6.435 8.351) 10.542 8.414 ( -0.000 -2.509 -6.161) 6.652======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.265 ( -0.034 14.305 10.137) 17.533 1.477 ( 6.732 9.839 17.226) 20.949 1.958 ( 3.692 13.604 -2.470) 14.310 2.842 ( 3.746 1.715 -3.464) 5.383 3.110 ( 9.412 12.301 4.359) 16.090 4.439 ( -1.106 -2.269 -6.852) 7.302 5.198 ( 5.781 3.423 -1.305) 6.844 6.129 ( 13.895 23.669 -11.491) 29.755 6.275 ( -1.960 -4.837 0.537) 5.247 6.333 ( -2.802 -2.147 0.682) 3.595 7.963 ( -3.331 -9.156 8.683) 13.051 8.303 ( -6.429 -4.116 -8.175) 11.185======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.490 ( 5.634 13.251 5.943) 15.578 1.657 ( -0.643 9.772 14.312) 17.342 2.276 ( 15.711 17.178 -8.484) 24.777 2.910 ( 2.379 3.520 -3.553) 5.539 3.472 ( 14.757 10.437 5.305) 18.837 4.415 ( 1.404 0.032 -4.016) 4.254 5.352 ( 6.820 5.926 -1.685) 9.191 6.164 ( -3.561 -5.393 0.295) 6.469 6.259 ( -3.404 -1.508 0.940) 3.840 6.509 ( 10.916 10.402 -7.268) 16.739 7.808 ( -6.496 -11.467 8.312) 15.581 8.082 ( -9.103 -3.313 -8.076) 12.612======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.706 ( 4.874 7.528 3.797) 9.739 1.857 ( 4.117 17.226 7.853) 19.374 2.719 ( 17.165 15.214 -4.767) 23.428 2.976 ( 1.872 4.258 -2.906) 5.484 3.812 ( 12.321 6.109 2.234) 13.932 4.449 ( 2.900 0.149 -1.525) 3.280 5.534 ( 6.277 7.695 -1.475) 10.039 6.055 ( -2.893 -4.170 -0.008) 5.075 6.203 ( -2.189 0.086 1.016) 2.415 6.663 ( 2.995 1.076 -5.504) 6.358 7.512 ( -14.654 -12.047 1.072) 19.000 7.965 ( -0.413 -0.999 0.566) 1.220======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.869 ( 4.459 7.039 2.224) 8.624 2.138 ( 4.936 16.966 4.079) 18.134 3.039 ( 1.581 4.240 -1.981) 4.940 3.111 ( 12.302 11.972 -3.690) 17.557 4.025 ( 6.626 1.486 0.735) 6.831 4.497 ( 3.606 -1.110 -0.204) 3.778 5.697 ( 3.088 7.890 -0.456) 8.485 5.993 ( -0.159 -2.348 -0.306) 2.373 6.203 ( 0.677 2.261 0.489) 2.410 6.644 ( -1.184 -2.271 -4.734) 5.383 7.135 ( -14.800 -9.159 0.552) 17.414 7.996 ( 3.291 -1.291 2.892) 4.567======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.011 ( 3.564 6.200 -0.319) 7.158 2.376 ( 2.368 15.267 1.681) 15.540 3.090 ( 0.136 3.792 -0.785) 3.874 3.355 ( 5.666 7.888 -5.381) 11.104 4.055 ( -1.872 -2.911 -2.542) 4.294 4.579 ( 6.448 -1.380 4.878) 8.202 5.787 ( -1.439 7.075 0.960) 7.283 6.009 ( 3.800 -0.274 -0.139) 3.812 6.268 ( 2.898 3.468 -0.390) 4.536 6.562 ( -3.753 -3.197 -4.961) 6.994 6.865 ( -7.657 -4.560 3.871) 9.716 8.043 ( 2.987 -2.284 1.365) 4.000======================= 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 1.64e-04 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.461 ( 0.000 12.355 2.139) 12.539 1.546 ( 0.000 14.312 13.790) 19.874 2.094 ( -0.000 17.090 -6.082) 18.140 2.801 ( -0.000 1.966 -1.314) 2.365 3.195 ( 0.000 15.673 5.979) 16.774 4.407 ( -0.000 -1.557 -5.000) 5.237 5.187 ( -0.000 5.784 0.830) 5.843 6.214 ( -0.000 8.878 -2.498) 9.223 6.256 ( -0.000 8.216 -4.961) 9.598 6.329 ( 0.000 -3.192 -0.132) 3.194 7.904 ( 0.000 -12.886 8.038) 15.187 8.294 ( -0.000 -3.800 -9.541) 10.270======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.587 ( 0.739 12.938 0.916) 12.991 1.767 ( 4.701 9.868 7.840) 13.451 2.281 ( 3.799 22.408 -8.850) 24.390 2.871 ( 4.346 2.880 -1.909) 5.552 3.434 ( 5.869 15.336 7.151) 17.911 4.390 ( 0.375 0.163 -2.247) 2.284 5.309 ( 5.213 7.498 0.874) 9.174 6.157 ( -2.006 -5.941 0.874) 6.331 6.282 ( -1.439 -2.775 -0.370) 3.148 6.463 ( 5.448 12.938 -4.587) 14.769 7.769 ( -2.015 -15.138 7.612) 17.064 8.166 ( -6.437 -2.939 -10.076) 12.312======================= 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 1.64e-04 3.35e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.734 ( 2.835 9.501 -0.076) 9.915 1.994 ( 5.071 15.713 5.100) 17.280 2.625 ( 11.555 20.798 -4.293) 24.176 2.969 ( 3.408 4.113 -2.484) 5.891 3.709 ( 7.891 10.223 3.097) 13.280 4.408 ( 1.502 0.316 0.084) 1.537 5.505 ( 6.788 9.436 0.175) 11.625 6.059 ( -2.751 -4.970 0.350) 5.691 6.235 ( -1.370 -0.988 -0.088) 1.691 6.610 ( 3.115 2.843 -2.876) 5.105 7.567 ( -6.277 -15.646 4.264) 17.389 7.999 ( -5.541 -0.891 -5.428) 7.808======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.884 ( 3.819 8.367 0.739) 9.227 2.278 ( 4.526 19.308 4.542) 20.345 3.014 ( 9.968 13.533 -2.171) 16.948 3.067 ( 4.453 8.454 -2.035) 9.769 3.918 ( 7.172 3.969 0.146) 8.199 4.431 ( 1.558 -1.701 0.090) 2.309 5.718 ( 5.460 10.599 -0.219) 11.925 5.977 ( -1.506 -3.357 0.041) 3.680 6.223 ( -0.157 1.473 0.209) 1.496 6.620 ( -0.374 -2.159 -2.728) 3.499 7.269 ( -11.431 -12.115 0.340) 16.660 7.943 ( 0.709 -1.711 0.761) 2.002======================= 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 1.64e-04 3.35e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.029 ( 2.996 7.506 0.753) 8.116 2.548 ( 1.651 19.938 3.998) 20.402 3.127 ( 1.064 5.300 -1.030) 5.503 3.342 ( 6.271 13.078 -3.896) 15.018 4.024 ( 2.159 -1.083 -1.334) 2.759 4.447 ( 5.054 -4.263 1.416) 6.762 5.889 ( 1.270 10.526 0.140) 10.603 5.950 ( 1.593 -1.517 -0.000) 2.199 6.262 ( 1.721 3.059 0.278) 3.521 6.565 ( -1.764 -2.557 -2.996) 4.316 6.976 ( -9.986 -7.292 1.306) 12.434 7.959 ( 3.025 -3.641 1.667) 5.019======================= 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 1.64e-04 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.712 ( -0.000 13.095 -3.789) 13.632 1.799 ( -0.000 6.566 -0.535) 6.588 2.460 ( -0.000 23.518 -8.490) 25.004 2.857 ( 0.000 3.397 1.235) 3.615 3.590 ( 0.000 17.563 8.124) 19.351 4.390 ( 0.000 0.915 0.337) 0.975 5.348 ( 0.000 8.667 2.520) 9.026 6.119 ( 0.000 -5.621 0.882) 5.690 6.258 ( -0.000 -3.081 -1.316) 3.350 6.527 ( -0.000 9.149 -1.271) 9.237 7.641 ( 0.000 -17.324 6.047) 18.349 8.163 ( -0.000 -2.051 -10.699) 10.894======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.791 ( 0.064 8.616 -4.372) 9.662 1.984 ( 10.434 11.035 -3.598) 15.607 2.704 ( 4.001 22.105 -3.653) 22.759 2.934 ( 3.635 3.683 0.705) 5.223 3.785 ( 0.435 14.500 4.759) 15.267 4.408 ( 0.068 1.330 2.619) 2.938 5.496 ( 5.180 9.457 2.192) 11.003 6.053 ( -1.812 -4.525 0.403) 4.891 6.228 ( 0.123 -1.732 -1.326) 2.185 6.600 ( 0.936 2.551 0.451) 2.754 7.469 ( -1.298 -17.715 4.121) 18.235 8.070 ( -4.808 -0.386 -8.575) 9.838======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.898 ( 3.755 7.757 -2.027) 8.853 2.311 ( 12.335 14.298 -1.957) 18.984 3.008 ( 6.894 15.610 -1.009) 17.094 3.052 ( 5.718 7.001 0.860) 9.080 3.914 ( 0.323 8.231 0.948) 8.292 4.421 ( -0.968 0.172 2.176) 2.388 5.712 ( 7.152 10.002 0.924) 12.331 5.978 ( -2.154 -2.950 -0.024) 3.653 6.227 ( 0.867 0.701 -0.684) 1.308 6.605 ( -0.680 -1.876 0.429) 2.041 7.263 ( -3.993 -15.652 1.314) 16.207 7.965 ( -4.195 0.251 -3.567) 5.512======================= 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 1.64e-04 3.35e-04 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.045 ( 4.153 7.194 -0.000) 8.307 2.657 ( 9.359 16.210 -0.000) 18.717 3.143 ( 2.888 5.002 -0.000) 5.775 3.355 ( 8.621 14.933 -0.000) 17.243 3.984 ( 1.460 2.528 -0.000) 2.919 4.376 ( -2.137 -3.701 -0.000) 4.274 5.923 ( 2.031 3.517 -0.000) 4.061 5.938 ( 2.957 5.122 -0.000) 5.915 6.264 ( 1.410 2.441 -0.000) 2.819 6.562 ( -1.263 -2.188 -0.000) 2.527 7.037 ( -6.244 -10.815 -0.000) 12.489 7.910 ( -0.975 -1.689 -0.000) 1.950======================= 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 1.64e-04 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.866 ( -0.000 4.568 -8.250) 9.430 1.944 ( -0.000 12.803 -4.909) 13.712 2.874 ( -0.000 19.507 -1.535) 19.567 2.945 ( 0.000 3.906 2.309) 4.538 3.945 ( 0.000 12.311 2.903) 12.649 4.443 ( 0.000 2.989 4.575) 5.465 5.547 ( 0.000 8.568 2.784) 9.009 6.032 ( 0.000 -3.118 0.278) 3.131 6.203 ( -0.000 -0.922 -1.865) 2.080 6.614 ( 0.000 0.014 2.582) 2.582 7.309 ( 0.000 -17.580 2.030) 17.697 8.085 ( -0.000 0.374 -7.983) 7.992======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.902 ( 2.301 6.205 -4.432) 7.965 2.182 ( 12.736 11.443 -4.860) 17.798 3.020 ( 3.093 3.741 1.719) 5.149 3.085 ( 3.943 15.817 1.478) 16.368 4.024 ( -2.139 6.196 0.926) 6.620 4.480 ( -2.017 4.074 3.078) 5.490 5.687 ( 5.731 7.380 1.539) 9.470 5.992 ( -1.865 -1.321 -0.066) 2.286 6.211 ( 1.347 1.273 -1.154) 2.183 6.605 ( -0.858 -2.359 3.118) 4.003 7.137 ( -0.558 -15.759 -0.080) 15.769 8.036 ( -3.713 1.148 -4.957) 6.299======================= 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 1.64e-04 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.923 ( -0.000 5.561 -3.597) 6.623 2.163 ( -0.000 11.195 -2.385) 11.446 3.031 ( 0.000 2.984 1.602) 3.387 3.201 ( 0.000 12.283 3.074) 12.662 4.080 ( 0.000 0.364 1.322) 1.371 4.565 ( -0.000 6.310 0.106) 6.311 5.694 ( -0.000 4.260 0.596) 4.301 6.009 ( -0.000 0.983 0.023) 0.983 6.215 ( -0.000 3.024 -0.538) 3.071 6.597 ( 0.000 -3.474 4.541) 5.718 6.989 ( -0.000 -13.125 -2.487) 13.359 8.068 ( -0.000 1.427 -3.558) 3.833======================= 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 1.64e-04 3.35e-04 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.080 ( 0.000 0.000 13.616) 13.616 1.080 ( 0.000 0.000 13.616) 13.616 1.828 ( 0.000 0.000 25.405) 25.405 2.789 ( -0.000 -0.000 -3.904) 3.904 2.789 ( -0.000 -0.000 -3.904) 3.904 4.699 ( -0.000 -0.000 -15.532) 15.532 5.098 ( -0.000 -0.000 -1.819) 1.819 5.098 ( -0.000 -0.000 -1.819) 1.819 6.395 ( 0.000 0.000 1.226) 1.226 6.395 ( 0.000 0.000 1.226) 1.226 8.138 ( 0.000 0.000 8.300) 8.300 8.427 ( -0.000 -0.000 -4.902) 4.902======================= 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 1.64e-04 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.126 ( 3.430 1.980 13.338) 13.913 1.347 ( 13.983 8.073 12.177) 20.223 1.860 ( -2.437 -1.407 10.625) 10.991 2.807 ( 1.809 1.044 -3.880) 4.406 2.912 ( 11.752 6.785 1.095) 13.614 4.478 ( -6.028 -3.481 -8.171) 10.734 5.146 ( 3.671 2.120 -2.491) 4.917 5.601 ( 30.798 17.781 -9.492) 36.808 6.363 ( -3.287 -1.898 0.353) 3.812 6.364 ( -2.433 -1.405 1.495) 3.183 8.109 ( -4.516 -2.608 8.428) 9.911 8.357 ( -4.949 -2.857 -6.287) 8.496======================= 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 1.64e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.315 ( 9.017 5.206 10.607) 14.863 1.628 ( 1.006 0.581 20.342) 20.375 1.963 ( 16.604 9.587 -10.642) 21.929 2.847 ( 2.614 1.509 -3.577) 4.680 3.277 ( 17.127 9.888 3.515) 20.086 4.396 ( 0.076 0.044 -5.318) 5.319 5.252 ( 6.075 3.508 -2.940) 7.606 6.215 ( 19.202 11.087 -6.698) 23.163 6.264 ( -1.664 -0.961 -1.335) 2.340 6.298 ( -3.492 -2.016 1.739) 4.391 8.000 ( -7.381 -4.262 9.662) 12.884 8.151 ( -9.832 -5.677 -8.175) 13.990======================= 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 1.64e-04 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.594 ( 11.923 6.884 7.404) 15.632 1.678 ( 1.665 0.961 10.917) 11.085 2.422 ( 21.693 12.525 -4.571) 25.463 2.903 ( 3.116 1.799 -3.089) 4.742 3.668 ( 14.946 8.629 1.053) 17.290 4.420 ( 2.660 1.536 -3.031) 4.315 5.404 ( 7.631 4.406 -2.923) 9.284 6.130 ( -5.065 -2.925 -0.326) 5.858 6.225 ( -2.977 -1.719 1.860) 3.908 6.574 ( 9.248 5.340 -5.739) 12.123 7.733 ( -16.537 -9.547 -0.800) 19.111 7.996 ( -1.980 -1.143 3.523) 4.200======================= 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 1.64e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.789 ( 4.790 2.765 7.149) 9.039 1.896 ( 11.950 6.899 4.688) 14.573 2.878 ( 17.623 10.175 -2.261) 20.475 2.969 ( 3.178 1.835 -2.456) 4.416 3.959 ( 9.549 5.513 0.109) 11.027 4.479 ( 3.044 1.758 -2.814) 4.503 5.572 ( 6.963 4.020 -2.190) 8.333 6.034 ( -2.807 -1.621 -0.282) 3.254 6.186 ( -0.592 -0.342 1.569) 1.712 6.651 ( 0.122 0.071 -4.814) 4.816 7.326 ( -16.820 -9.711 -1.345) 19.468 8.016 ( 1.474 0.851 5.793) 6.038======================= 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 1.64e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.265 ( 0.000 7.934 5.005) 9.381 1.288 ( 0.000 13.982 13.687) 19.566 1.936 ( 0.000 -0.511 8.379) 8.395 2.767 ( -0.000 0.812 -1.956) 2.118 2.916 ( -0.000 12.402 0.613) 12.418 4.457 ( -0.000 -6.449 -7.414) 9.826 5.104 ( -0.000 2.540 -0.025) 2.540 5.590 ( -0.000 34.645 -8.271) 35.619 6.350 ( 0.000 -4.404 1.093) 4.538 6.384 ( 0.000 -1.980 0.298) 2.002 8.128 ( 0.000 -6.361 8.081) 10.284 8.351 ( -0.000 -3.832 -6.740) 7.753======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.348 ( 1.111 10.827 6.320) 12.585 1.632 ( 11.231 10.554 14.127) 20.906 1.907 ( -2.326 7.323 -7.219) 10.543 2.813 ( 2.894 2.133 -2.275) 4.254 3.152 ( 9.961 14.051 3.651) 17.606 4.382 ( -0.700 -1.108 -4.491) 4.678 5.188 ( 4.612 4.366 -0.711) 6.391 6.044 ( 14.621 25.386 -5.907) 29.885 6.280 ( -2.481 -5.377 0.471) 5.941 6.338 ( -2.363 -2.484 0.314) 3.443 8.049 ( -2.798 -9.152 8.886) 13.059 8.221 ( -6.654 -5.339 -8.581) 12.100======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.545 ( 6.076 9.990 4.959) 12.701 1.777 ( -1.571 6.450 9.201) 11.346 2.208 ( 17.554 18.422 -4.387) 25.822 2.880 ( 2.251 3.687 -2.534) 5.008 3.505 ( 13.473 10.843 0.998) 17.323 4.384 ( 1.725 1.198 -2.156) 3.010 5.336 ( 6.043 6.876 -1.712) 9.313 6.166 ( -3.878 -5.187 0.071) 6.477 6.268 ( -2.874 -1.993 0.902) 3.611 6.454 ( 10.832 11.441 -3.775) 16.202 7.869 ( -10.267 -12.426 2.298) 16.282 8.028 ( -4.275 -3.194 -1.131) 5.455======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.747 ( 5.883 5.475 4.462) 9.192 1.931 ( 2.944 15.775 6.882) 17.461 2.690 ( 17.539 15.392 -0.869) 23.351 2.950 ( 1.975 4.445 -2.306) 5.383 3.816 ( 12.060 6.295 -1.432) 13.679 4.431 ( 2.579 0.977 -2.157) 3.501 5.517 ( 6.065 8.556 -2.040) 10.684 6.055 ( -3.038 -4.034 -0.112) 5.051 6.214 ( -1.945 -0.418 1.294) 2.373 6.619 ( 2.576 1.722 -3.318) 4.540 7.503 ( -15.582 -11.172 -2.510) 19.337 7.998 ( 1.652 -2.531 5.816) 6.555======================= 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 1.64e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.457 ( -0.000 10.574 -2.992) 10.989 1.683 ( 0.000 9.801 13.941) 17.041 1.998 ( -0.000 13.827 -12.995) 18.975 2.799 ( 0.000 2.600 0.796) 2.719 3.255 ( 0.000 17.829 5.443) 18.642 4.368 ( -0.000 0.037 -2.645) 2.645 5.201 ( 0.000 6.338 1.923) 6.623 6.176 ( -0.000 25.073 -2.954) 25.247 6.246 ( 0.000 -5.994 0.630) 6.027 6.325 ( -0.000 -3.536 -0.824) 3.631 7.984 ( 0.000 -13.327 8.235) 15.666 8.199 ( -0.000 -4.949 -9.872) 11.043======================= 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 1.64e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.581 ( 2.752 10.712 -2.217) 11.280 1.817 ( 5.166 3.932 1.338) 6.629 2.209 ( 5.835 24.489 -4.716) 25.612 2.864 ( 2.969 3.409 0.476) 4.545 3.490 ( 4.288 16.116 3.902) 17.127 4.376 ( 0.455 1.774 -0.424) 1.880 5.320 ( 4.172 8.184 1.415) 9.294 6.164 ( -2.266 -6.023 0.485) 6.453 6.276 ( -0.953 -3.159 -0.737) 3.381 6.438 ( 5.180 14.502 -0.442) 15.406 7.840 ( -2.439 -16.369 6.431) 17.755 8.073 ( -5.018 -3.039 -8.380) 10.229======================= 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 1.64e-04 3.35e-04 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.734 ( 4.526 7.839 -0.000) 9.052 2.020 ( 7.666 13.278 -0.000) 15.332 2.603 ( 12.236 21.194 -0.000) 24.473 2.956 ( 2.649 4.588 -0.000) 5.297 3.725 ( 6.098 10.561 -0.000) 12.195 4.408 ( 0.888 1.538 -0.000) 1.776 5.506 ( 5.857 10.144 -0.000) 11.713 6.061 ( -2.874 -4.977 -0.000) 5.747 6.234 ( -0.815 -1.411 -0.000) 1.629 6.596 ( 2.129 3.688 -0.000) 4.258 7.590 ( -8.855 -15.337 -0.000) 17.709 7.971 ( -1.280 -2.217 0.000) 2.560======================= 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 1.64e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.662 ( -0.000 12.879 -6.270) 14.324 1.766 ( -0.000 1.948 -6.430) 6.718 2.407 ( -0.000 25.348 -1.955) 25.423 2.875 ( 0.000 3.680 2.509) 4.454 3.652 ( 0.000 17.205 4.260) 17.725 4.398 ( 0.000 2.737 1.467) 3.105 5.375 ( 0.000 8.880 2.998) 9.373 6.126 ( 0.000 -5.777 0.549) 5.803 6.243 ( -0.000 -3.348 -1.742) 3.774 6.533 ( 0.000 10.325 2.493) 10.621 7.699 ( 0.000 -18.844 5.308) 19.578 8.063 ( -0.000 -1.689 -9.289) 9.441======================= 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 1.64e-04 3.35e-04 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.183 ( 0.000 0.000 7.325) 7.325 1.183 ( 0.000 0.000 7.325) 7.325 2.026 ( 0.000 0.000 14.299) 14.299 2.758 ( -0.000 -0.000 -2.382) 2.382 2.758 ( -0.000 -0.000 -2.382) 2.382 4.573 ( -0.000 -0.000 -9.453) 9.453 5.084 ( -0.000 -0.000 -0.992) 0.992 5.084 ( -0.000 -0.000 -0.992) 0.992 6.404 ( 0.000 0.000 0.666) 0.666 6.404 ( 0.000 0.000 0.666) 0.666 8.215 ( 0.000 0.000 7.165) 7.165 8.376 ( -0.000 -0.000 -5.344) 5.344======================= 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 1.64e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.233 ( 3.780 2.182 8.167) 9.260 1.419 ( 15.930 9.197 2.274) 18.534 1.941 ( -8.461 -4.885 6.041) 11.486 2.775 ( 1.648 0.951 -2.586) 3.210 2.924 ( 13.333 7.698 0.890) 15.421 4.415 ( -5.010 -2.893 -4.015) 7.042 5.124 ( 3.279 1.893 -1.947) 4.257 5.540 ( 29.418 16.985 -3.116) 34.112 6.363 ( -3.571 -2.061 -0.184) 4.127 6.377 ( -2.233 -1.289 1.027) 2.776 8.187 ( -3.953 -2.282 7.038) 8.388 8.295 ( -5.756 -3.323 -5.981) 8.942======================= 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 1.64e-04 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.405 ( 8.531 4.926 7.533) 12.401 1.782 ( -4.653 -2.686 2.528) 5.938 1.879 ( 21.831 12.604 2.272) 25.310 2.816 ( 2.580 1.490 -2.600) 3.954 3.289 ( 16.667 9.623 -1.253) 19.287 4.362 ( 0.493 0.285 -1.470) 1.577 5.224 ( 5.866 3.387 -2.672) 7.282 6.171 ( 22.474 12.975 -2.003) 26.028 6.254 ( -5.010 -2.893 -0.911) 5.857 6.314 ( -3.320 -1.917 1.397) 4.080 8.061 ( -12.473 -7.201 -5.855) 15.547 8.106 ( -4.327 -2.498 7.497) 9.009======================= 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 1.64e-04 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.282 ( -0.000 5.791 -1.715) 6.040 1.393 ( 0.000 16.657 7.164) 18.132 1.974 ( 0.000 -7.927 -0.282) 7.932 2.759 ( 0.000 1.427 0.396) 1.481 2.924 ( -0.000 14.833 0.692) 14.849 4.407 ( -0.000 -5.504 -2.372) 5.994 5.109 ( 0.000 3.184 1.058) 3.355 5.537 ( -0.000 33.647 -2.575) 33.745 6.359 ( 0.000 -4.344 0.708) 4.401 6.384 ( -0.000 -2.287 -0.393) 2.320 8.200 ( 0.000 -5.503 5.778) 7.979 8.287 ( -0.000 -5.462 -5.598) 7.821======================= 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 1.64e-04 3.35e-04 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.380 ( 4.552 7.884 -0.000) 9.104 1.723 ( 11.869 20.557 -0.000) 23.738 1.850 ( -2.827 -4.897 0.000) 5.654 2.801 ( 1.631 2.825 -0.000) 3.262 3.172 ( 8.843 15.316 0.000) 17.685 4.359 ( -0.406 -0.703 -0.000) 0.811 5.185 ( 3.083 5.339 -0.000) 6.165 6.015 ( 14.875 25.765 -0.000) 29.751 6.283 ( -3.027 -5.244 -0.000) 6.055 6.339 ( -1.679 -2.908 -0.000) 3.358 8.134 ( -2.953 -5.115 -0.000) 5.907 8.137 ( -5.844 -10.123 0.000) 11.689======================= 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 1.64e-04 3.35e-04 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.220 ( 0.000 0.000 0.000) 0.000 1.220 ( 0.000 0.000 0.000) 0.000 2.097 ( 0.000 0.000 0.000) 0.000 2.745 ( 0.000 0.000 0.000) 0.000 2.745 ( 0.000 0.000 0.000) 0.000 4.526 ( 0.000 0.000 0.000) 0.000 5.079 ( 0.000 0.000 0.000) 0.000 5.079 ( 0.000 0.000 0.000) 0.000 6.407 ( 0.000 0.000 0.000) 0.000 6.407 ( 0.000 0.000 0.000) 0.000 8.261 ( 0.000 0.000 0.000) 0.000 8.339 ( -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 10.0 427.205 427.205 1304.676 0.000 0.000 0.000 3/32928 20.0 200.771 200.771 324.464 0.000 -0.000 0.000 3/32928 30.0 94.200 94.200 95.941 0.000 -0.000 0.000 3/32928 40.0 58.045 58.045 44.050 0.000 -0.000 0.000 3/32928 50.0 41.456 41.456 26.523 0.000 -0.000 0.000 3/32928 60.0 31.809 31.809 18.530 0.000 -0.000 0.000 3/32928 70.0 25.571 25.571 14.138 0.000 -0.000 0.000 3/32928 80.0 21.288 21.288 11.416 0.000 -0.000 0.000 3/32928 90.0 18.207 18.207 9.583 0.000 -0.000 0.000 3/32928 100.0 15.904 15.904 8.271 0.000 -0.000 0.000 3/32928 110.0 14.126 14.126 7.287 0.000 -0.000 0.000 3/32928 120.0 12.715 12.715 6.521 0.000 -0.000 0.000 3/32928 130.0 11.568 11.568 5.909 0.000 -0.000 0.000 3/32928 140.0 10.619 10.619 5.406 0.000 -0.000 0.000 3/32928 150.0 9.819 9.819 4.987 0.000 -0.000 0.000 3/32928 160.0 9.136 9.136 4.631 0.000 -0.000 0.000 3/32928 170.0 8.545 8.545 4.325 0.000 -0.000 0.000 3/32928 180.0 8.029 8.029 4.058 0.000 -0.000 0.000 3/32928 190.0 7.574 7.574 3.824 0.000 -0.000 0.000 3/32928 200.0 7.170 7.170 3.616 0.000 -0.000 0.000 3/32928 210.0 6.808 6.808 3.431 0.000 -0.000 0.000 3/32928 220.0 6.482 6.482 3.264 0.000 -0.000 0.000 3/32928 230.0 6.187 6.187 3.114 0.000 -0.000 0.000 3/32928 240.0 5.919 5.919 2.977 0.000 -0.000 0.000 3/32928 250.0 5.673 5.673 2.852 0.000 -0.000 0.000 3/32928 260.0 5.448 5.448 2.737 0.000 -0.000 0.000 3/32928 270.0 5.240 5.240 2.632 0.000 -0.000 0.000 3/32928 280.0 5.048 5.048 2.534 0.000 -0.000 0.000 3/32928 290.0 4.870 4.870 2.444 0.000 -0.000 0.000 3/32928 300.0 4.704 4.704 2.360 0.000 -0.000 0.000 3/32928 310.0 4.549 4.549 2.281 0.000 -0.000 0.000 3/32928 320.0 4.405 4.405 2.208 0.000 -0.000 0.000 3/32928 330.0 4.269 4.269 2.140 0.000 -0.000 0.000 3/32928 340.0 4.142 4.142 2.075 0.000 -0.000 0.000 3/32928 350.0 4.022 4.022 2.015 0.000 -0.000 0.000 3/32928 360.0 3.909 3.909 1.958 0.000 -0.000 0.000 3/32928 370.0 3.802 3.802 1.904 0.000 -0.000 0.000 3/32928 380.0 3.701 3.701 1.853 0.000 -0.000 0.000 3/32928 390.0 3.606 3.606 1.805 0.000 -0.000 0.000 3/32928 400.0 3.515 3.515 1.759 0.000 -0.000 0.000 3/32928 410.0 3.429 3.429 1.715 0.000 -0.000 0.000 3/32928 420.0 3.347 3.347 1.674 0.000 -0.000 0.000 3/32928 430.0 3.269 3.269 1.635 0.000 -0.000 0.000 3/32928 440.0 3.194 3.194 1.597 0.000 -0.000 0.000 3/32928 450.0 3.123 3.123 1.561 0.000 -0.000 0.000 3/32928 460.0 3.055 3.055 1.527 0.000 -0.000 0.000 3/32928 470.0 2.990 2.990 1.494 0.000 -0.000 0.000 3/32928 480.0 2.927 2.927 1.463 0.000 -0.000 0.000 3/32928 490.0 2.868 2.868 1.433 0.000 -0.000 0.000 3/32928 500.0 2.810 2.810 1.404 0.000 -0.000 0.000 3/32928 510.0 2.755 2.755 1.376 0.000 -0.000 0.000 3/32928 520.0 2.702 2.702 1.350 0.000 -0.000 0.000 3/32928 530.0 2.651 2.651 1.324 0.000 -0.000 0.000 3/32928 540.0 2.602 2.602 1.299 0.000 -0.000 0.000 3/32928 550.0 2.555 2.555 1.276 0.000 -0.000 0.000 3/32928 560.0 2.509 2.509 1.253 0.000 -0.000 0.000 3/32928 570.0 2.465 2.465 1.231 0.000 -0.000 0.000 3/32928 580.0 2.423 2.423 1.209 0.000 -0.000 0.000 3/32928 590.0 2.382 2.382 1.189 0.000 -0.000 0.000 3/32928 600.0 2.342 2.342 1.169 0.000 -0.000 0.000 3/32928 610.0 2.304 2.304 1.150 0.000 -0.000 0.000 3/32928 620.0 2.267 2.267 1.131 0.000 -0.000 0.000 3/32928 630.0 2.231 2.231 1.113 0.000 -0.000 0.000 3/32928 640.0 2.196 2.196 1.096 0.000 -0.000 0.000 3/32928 650.0 2.163 2.163 1.079 0.000 -0.000 0.000 3/32928 660.0 2.130 2.130 1.063 0.000 -0.000 0.000 3/32928 670.0 2.098 2.098 1.047 0.000 -0.000 0.000 3/32928 680.0 2.068 2.068 1.031 0.000 -0.000 0.000 3/32928 690.0 2.038 2.038 1.016 0.000 -0.000 0.000 3/32928 700.0 2.009 2.009 1.002 0.000 -0.000 0.000 3/32928 710.0 1.981 1.981 0.988 0.000 -0.000 0.000 3/32928 720.0 1.953 1.953 0.974 0.000 -0.000 0.000 3/32928 730.0 1.927 1.927 0.961 0.000 -0.000 0.000 3/32928 740.0 1.901 1.901 0.948 0.000 -0.000 0.000 3/32928 750.0 1.875 1.875 0.935 0.000 -0.000 0.000 3/32928 760.0 1.851 1.851 0.923 0.000 -0.000 0.000 3/32928 770.0 1.827 1.827 0.911 0.000 -0.000 0.000 3/32928 780.0 1.804 1.804 0.899 0.000 -0.000 0.000 3/32928 790.0 1.781 1.781 0.888 0.000 -0.000 0.000 3/32928 800.0 1.759 1.759 0.876 0.000 -0.000 0.000 3/32928 810.0 1.737 1.737 0.866 0.000 -0.000 0.000 3/32928 820.0 1.716 1.716 0.855 0.000 -0.000 0.000 3/32928 830.0 1.695 1.695 0.845 0.000 -0.000 0.000 3/32928 840.0 1.675 1.675 0.835 0.000 -0.000 0.000 3/32928 850.0 1.656 1.656 0.825 0.000 -0.000 0.000 3/32928 860.0 1.636 1.636 0.815 0.000 -0.000 0.000 3/32928 870.0 1.618 1.618 0.806 0.000 -0.000 0.000 3/32928 880.0 1.599 1.599 0.797 0.000 -0.000 0.000 3/32928 890.0 1.582 1.582 0.788 0.000 -0.000 0.000 3/32928 900.0 1.564 1.564 0.779 0.000 -0.000 0.000 3/32928 910.0 1.547 1.547 0.771 0.000 -0.000 0.000 3/32928 920.0 1.530 1.530 0.762 0.000 -0.000 0.000 3/32928 930.0 1.514 1.514 0.754 0.000 -0.000 0.000 3/32928 940.0 1.498 1.498 0.746 0.000 -0.000 0.000 3/32928 950.0 1.482 1.482 0.738 0.000 -0.000 0.000 3/32928 960.0 1.467 1.467 0.730 0.000 -0.000 0.000 3/32928 970.0 1.452 1.452 0.723 0.000 -0.000 0.000 3/32928 980.0 1.437 1.437 0.716 0.000 -0.000 0.000 3/32928 990.0 1.422 1.422 0.708 0.000 -0.000 0.000 3/32928 1000.0 1.408 1.408 0.701 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 2026-01-08 01:41:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|