# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/fa105bde-eeb6-4c50-aeee-15ee4be959ca/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 ScAgO2 / R-3m (166) / materials id 973185](https://mdr.nims.go.jp/datasets/b92b3884-e04d-4729-ab77-8aa6f7c21506) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-09 04:33:49]-------------------------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 1.596907674787080 0.921975075909298 6.144487893333325 b -1.596907674787077 0.921975075909298 6.144487893333325 c 0.000000000000002 -1.843950151818599 6.144487893333325Atomic positions (fractional): *1 Sc 0.50000000000000 0.50000000000000 0.50000000000000 44.956 *2 Ag 0.00000000000000 0.00000000000000 0.00000000000000 107.868 *3 O 0.88868276016957 0.88868276016957 0.88868276016957 15.999 4 O 0.11131723983043 0.11131723983044 0.11131723983043 15.999-------------------------------- unit cell ---------------------------------Lattice vectors: a 3.193815349574157 0.000000000000000 0.000000000000000 b -1.596907674787079 2.765925227727898 0.000000000000000 c 0.000000000000000 0.000000000000000 18.433463679999996Atomic positions (fractional): *1 Sc 0.66666666666667 0.33333333333333 0.83333333333333 44.956 > 1 2 Sc 0.33333333333333 0.66666666666667 0.16666666666667 44.956 > 1 3 Sc 0.00000000000000 0.00000000000000 0.50000000000000 44.956 > 1 *4 Ag 0.00000000000000 0.00000000000000 0.00000000000000 107.868 > 2 5 Ag 0.66666666666667 0.33333333333333 0.33333333333333 107.868 > 2 6 Ag 0.33333333333333 0.66666666666667 0.66666666666667 107.868 > 2 *7 O 0.00000000000000 0.00000000000000 0.88868276016957 15.999 > 3 8 O 0.33333333333333 0.66666666666667 0.77798390649710 15.999 > 4 9 O 0.66666666666667 0.33333333333333 0.22201609350290 15.999 > 3 10 O 0.00000000000000 0.00000000000000 0.11131723983043 15.999 > 4 11 O 0.33333333333333 0.66666666666667 0.55534942683623 15.999 > 3 12 O 0.66666666666667 0.33333333333333 0.44465057316377 15.999 > 4-------------------------------- super cell --------------------------------Lattice vectors: a 9.581446048722471 0.000000000000000 0.000000000000000 b -4.790723024361236 8.297775683183694 0.000000000000000 c 0.000000000000000 0.000000000000000 18.433463679999996Atomic positions (fractional): *1 Sc 0.22222222222222 0.11111111111111 0.83333333333333 44.956 > 1 2 Sc 0.55555555555556 0.11111111111111 0.83333333333333 44.956 > 1 3 Sc 0.88888888888889 0.11111111111111 0.83333333333333 44.956 > 1 4 Sc 0.22222222222222 0.44444444444444 0.83333333333333 44.956 > 1 5 Sc 0.55555555555556 0.44444444444444 0.83333333333333 44.956 > 1 6 Sc 0.88888888888889 0.44444444444444 0.83333333333333 44.956 > 1 7 Sc 0.22222222222222 0.77777777777778 0.83333333333333 44.956 > 1 8 Sc 0.55555555555556 0.77777777777778 0.83333333333333 44.956 > 1 9 Sc 0.88888888888889 0.77777777777778 0.83333333333333 44.956 > 1 10 Sc 0.11111111111111 0.22222222222222 0.16666666666667 44.956 > 1 11 Sc 0.44444444444444 0.22222222222222 0.16666666666667 44.956 > 1 12 Sc 0.77777777777778 0.22222222222222 0.16666666666667 44.956 > 1 13 Sc 0.11111111111111 0.55555555555556 0.16666666666667 44.956 > 1 14 Sc 0.44444444444444 0.55555555555556 0.16666666666667 44.956 > 1 15 Sc 0.77777777777778 0.55555555555556 0.16666666666667 44.956 > 1 16 Sc 0.11111111111111 0.88888888888889 0.16666666666667 44.956 > 1 17 Sc 0.44444444444444 0.88888888888889 0.16666666666667 44.956 > 1 18 Sc 0.77777777777778 0.88888888888889 0.16666666666667 44.956 > 1 19 Sc 0.00000000000000 0.00000000000000 0.50000000000000 44.956 > 1 20 Sc 0.33333333333333 0.00000000000000 0.50000000000000 44.956 > 1 21 Sc 0.66666666666667 0.00000000000000 0.50000000000000 44.956 > 1 22 Sc 0.00000000000000 0.33333333333333 0.50000000000000 44.956 > 1 23 Sc 0.33333333333333 0.33333333333333 0.50000000000000 44.956 > 1 24 Sc 0.66666666666667 0.33333333333333 0.50000000000000 44.956 > 1 25 Sc 0.00000000000000 0.66666666666667 0.50000000000000 44.956 > 1 26 Sc 0.33333333333333 0.66666666666667 0.50000000000000 44.956 > 1 27 Sc 0.66666666666667 0.66666666666667 0.50000000000000 44.956 > 1 *28 Ag 0.00000000000000 0.00000000000000 0.00000000000000 107.868 > 2 29 Ag 0.33333333333333 0.00000000000000 0.00000000000000 107.868 > 2 30 Ag 0.66666666666667 0.00000000000000 0.00000000000000 107.868 > 2 31 Ag 0.00000000000000 0.33333333333333 0.00000000000000 107.868 > 2 32 Ag 0.33333333333333 0.33333333333333 0.00000000000000 107.868 > 2 33 Ag 0.66666666666667 0.33333333333333 0.00000000000000 107.868 > 2 34 Ag 0.00000000000000 0.66666666666667 0.00000000000000 107.868 > 2 35 Ag 0.33333333333333 0.66666666666667 0.00000000000000 107.868 > 2 36 Ag 0.66666666666667 0.66666666666667 0.00000000000000 107.868 > 2 37 Ag 0.22222222222222 0.11111111111111 0.33333333333333 107.868 > 2 38 Ag 0.55555555555556 0.11111111111111 0.33333333333333 107.868 > 2 39 Ag 0.88888888888889 0.11111111111111 0.33333333333333 107.868 > 2 40 Ag 0.22222222222222 0.44444444444444 0.33333333333333 107.868 > 2 41 Ag 0.55555555555556 0.44444444444444 0.33333333333333 107.868 > 2 42 Ag 0.88888888888889 0.44444444444444 0.33333333333333 107.868 > 2 43 Ag 0.22222222222222 0.77777777777778 0.33333333333333 107.868 > 2 44 Ag 0.55555555555556 0.77777777777778 0.33333333333333 107.868 > 2 45 Ag 0.88888888888889 0.77777777777778 0.33333333333333 107.868 > 2 46 Ag 0.11111111111111 0.22222222222222 0.66666666666667 107.868 > 2 47 Ag 0.44444444444444 0.22222222222222 0.66666666666667 107.868 > 2 48 Ag 0.77777777777778 0.22222222222222 0.66666666666667 107.868 > 2 49 Ag 0.11111111111111 0.55555555555556 0.66666666666667 107.868 > 2 50 Ag 0.44444444444444 0.55555555555556 0.66666666666667 107.868 > 2 51 Ag 0.77777777777778 0.55555555555556 0.66666666666667 107.868 > 2 52 Ag 0.11111111111111 0.88888888888889 0.66666666666667 107.868 > 2 53 Ag 0.44444444444444 0.88888888888889 0.66666666666667 107.868 > 2 54 Ag 0.77777777777778 0.88888888888889 0.66666666666667 107.868 > 2 *55 O 0.00000000000000 0.00000000000000 0.88868276016957 15.999 > 3 56 O 0.33333333333333 0.00000000000000 0.88868276016957 15.999 > 3 57 O 0.66666666666667 0.00000000000000 0.88868276016957 15.999 > 3 58 O 0.00000000000000 0.33333333333333 0.88868276016957 15.999 > 3 59 O 0.33333333333333 0.33333333333333 0.88868276016957 15.999 > 3 60 O 0.66666666666667 0.33333333333333 0.88868276016957 15.999 > 3 61 O 0.00000000000000 0.66666666666667 0.88868276016957 15.999 > 3 62 O 0.33333333333333 0.66666666666667 0.88868276016957 15.999 > 3 63 O 0.66666666666667 0.66666666666667 0.88868276016957 15.999 > 3 64 O 0.11111111111111 0.22222222222222 0.77798390649710 15.999 > 4 65 O 0.44444444444444 0.22222222222222 0.77798390649710 15.999 > 4 66 O 0.77777777777778 0.22222222222222 0.77798390649710 15.999 > 4 67 O 0.11111111111111 0.55555555555556 0.77798390649710 15.999 > 4 68 O 0.44444444444444 0.55555555555556 0.77798390649710 15.999 > 4 69 O 0.77777777777778 0.55555555555556 0.77798390649710 15.999 > 4 70 O 0.11111111111111 0.88888888888889 0.77798390649710 15.999 > 4 71 O 0.44444444444444 0.88888888888889 0.77798390649710 15.999 > 4 72 O 0.77777777777778 0.88888888888889 0.77798390649710 15.999 > 4 73 O 0.22222222222222 0.11111111111111 0.22201609350290 15.999 > 3 74 O 0.55555555555556 0.11111111111111 0.22201609350290 15.999 > 3 75 O 0.88888888888889 0.11111111111111 0.22201609350290 15.999 > 3 76 O 0.22222222222222 0.44444444444444 0.22201609350290 15.999 > 3 77 O 0.55555555555556 0.44444444444444 0.22201609350290 15.999 > 3 78 O 0.88888888888889 0.44444444444444 0.22201609350290 15.999 > 3 79 O 0.22222222222222 0.77777777777778 0.22201609350290 15.999 > 3 80 O 0.55555555555556 0.77777777777778 0.22201609350290 15.999 > 3 81 O 0.88888888888889 0.77777777777778 0.22201609350290 15.999 > 3 82 O 0.00000000000000 0.00000000000000 0.11131723983043 15.999 > 4 83 O 0.33333333333333 0.00000000000000 0.11131723983043 15.999 > 4 84 O 0.66666666666667 0.00000000000000 0.11131723983043 15.999 > 4 85 O 0.00000000000000 0.33333333333333 0.11131723983043 15.999 > 4 86 O 0.33333333333333 0.33333333333333 0.11131723983043 15.999 > 4 87 O 0.66666666666667 0.33333333333333 0.11131723983043 15.999 > 4 88 O 0.00000000000000 0.66666666666667 0.11131723983043 15.999 > 4 89 O 0.33333333333333 0.66666666666667 0.11131723983043 15.999 > 4 90 O 0.66666666666667 0.66666666666667 0.11131723983043 15.999 > 4 91 O 0.11111111111111 0.22222222222222 0.55534942683623 15.999 > 3 92 O 0.44444444444444 0.22222222222222 0.55534942683623 15.999 > 3 93 O 0.77777777777778 0.22222222222222 0.55534942683623 15.999 > 3 94 O 0.11111111111111 0.55555555555556 0.55534942683623 15.999 > 3 95 O 0.44444444444444 0.55555555555556 0.55534942683623 15.999 > 3 96 O 0.77777777777778 0.55555555555556 0.55534942683623 15.999 > 3 97 O 0.11111111111111 0.88888888888889 0.55534942683623 15.999 > 3 98 O 0.44444444444444 0.88888888888889 0.55534942683623 15.999 > 3 99 O 0.77777777777778 0.88888888888889 0.55534942683623 15.999 > 3 100 O 0.22222222222222 0.11111111111111 0.44465057316377 15.999 > 4 101 O 0.55555555555556 0.11111111111111 0.44465057316377 15.999 > 4 102 O 0.88888888888889 0.11111111111111 0.44465057316377 15.999 > 4 103 O 0.22222222222222 0.44444444444444 0.44465057316377 15.999 > 4 104 O 0.55555555555556 0.44444444444444 0.44465057316377 15.999 > 4 105 O 0.88888888888889 0.44444444444444 0.44465057316377 15.999 > 4 106 O 0.22222222222222 0.77777777777778 0.44465057316377 15.999 > 4 107 O 0.55555555555556 0.77777777777778 0.44465057316377 15.999 > 4 108 O 0.88888888888889 0.77777777777778 0.44465057316377 15.999 > 4----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 6.3124784 -0.0000000 0.0000000 0.0000000 6.3124784 0.0000000 0.0000000 0.0000000 5.6881155-------------------------- Born effective charges -------------------------- 1 Sc 4.3801070 0.0000000 0.0000000 0.0000000 4.3801070 0.0000000 0.0000000 0.0000000 3.2790113 2 Ag 0.5322561 -0.0000000 0.0000000 0.0000000 0.5322561 0.0000000 0.0000000 0.0000000 1.7178165 3 O -2.4561815 -0.0000000 0.0000000 0.0000000 -2.4561815 0.0000000 0.0000000 0.0000000 -2.4984139 4 O -2.4561815 -0.0000000 0.0000000 0.0000000 -2.4561815 0.0000000 0.0000000 0.0000000 -2.4984139----------------------------------------------------------------------------Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".-------------------------------- Symfc start -------------------------------Symfc version 1.5.4 (https://github.com/symfc/symfc)Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024)Computing [2] order force constants.Permutation basis: 324/324Permutation basis: 2568/2568Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 215Number of blocks in projector: 192Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 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: 0.119Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.126--------------------------------- Symfc end --------------------------------Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 324/324Permutation basis: 2568/2568Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 215Number of blocks in projector: 192Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 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 (zz) 0.00000000 (zz) 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 2026-01-09 04:33:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-09 04:33:53]-------------------------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 1.596907674787080 0.921975075909298 6.144487893333325 b -1.596907674787077 0.921975075909298 6.144487893333325 c 0.000000000000002 -1.843950151818599 6.144487893333325Atomic positions (fractional): 1 Sc 0.50000000000000 0.50000000000000 0.50000000000000 44.956 2 Ag 0.00000000000000 0.00000000000000 0.00000000000000 107.868 3 O 0.88868276016957 0.88868276016957 0.88868276016957 15.999 4 O 0.11131723983043 0.11131723983044 0.11131723983043 15.999-------------------------------- supercell ---------------------------------Lattice vectors: a 9.581446048722471 0.000000000000000 0.000000000000000 b -4.790723024361236 8.297775683183694 0.000000000000000 c 0.000000000000000 0.000000000000000 18.433463679999996Atomic positions (fractional): 1 Sc 0.22222222222222 0.11111111111111 0.83333333333333 44.956 > 1 2 Sc 0.55555555555556 0.11111111111111 0.83333333333333 44.956 > 1 3 Sc 0.88888888888889 0.11111111111111 0.83333333333333 44.956 > 1 4 Sc 0.22222222222222 0.44444444444444 0.83333333333333 44.956 > 1 5 Sc 0.55555555555556 0.44444444444444 0.83333333333333 44.956 > 1 6 Sc 0.88888888888889 0.44444444444444 0.83333333333333 44.956 > 1 7 Sc 0.22222222222222 0.77777777777778 0.83333333333333 44.956 > 1 8 Sc 0.55555555555556 0.77777777777778 0.83333333333333 44.956 > 1 9 Sc 0.88888888888889 0.77777777777778 0.83333333333333 44.956 > 1 10 Sc 0.11111111111111 0.22222222222222 0.16666666666667 44.956 > 1 11 Sc 0.44444444444444 0.22222222222222 0.16666666666667 44.956 > 1 12 Sc 0.77777777777778 0.22222222222222 0.16666666666667 44.956 > 1 13 Sc 0.11111111111111 0.55555555555556 0.16666666666667 44.956 > 1 14 Sc 0.44444444444444 0.55555555555556 0.16666666666667 44.956 > 1 15 Sc 0.77777777777778 0.55555555555556 0.16666666666667 44.956 > 1 16 Sc 0.11111111111111 0.88888888888889 0.16666666666667 44.956 > 1 17 Sc 0.44444444444444 0.88888888888889 0.16666666666667 44.956 > 1 18 Sc 0.77777777777778 0.88888888888889 0.16666666666667 44.956 > 1 19 Sc 0.00000000000000 0.00000000000000 0.50000000000000 44.956 > 1 20 Sc 0.33333333333333 0.00000000000000 0.50000000000000 44.956 > 1 21 Sc 0.66666666666667 0.00000000000000 0.50000000000000 44.956 > 1 22 Sc 0.00000000000000 0.33333333333333 0.50000000000000 44.956 > 1 23 Sc 0.33333333333333 0.33333333333333 0.50000000000000 44.956 > 1 24 Sc 0.66666666666667 0.33333333333333 0.50000000000000 44.956 > 1 25 Sc 0.00000000000000 0.66666666666667 0.50000000000000 44.956 > 1 26 Sc 0.33333333333333 0.66666666666667 0.50000000000000 44.956 > 1 27 Sc 0.66666666666667 0.66666666666667 0.50000000000000 44.956 > 1 28 Ag 0.00000000000000 0.00000000000000 0.00000000000000 107.868 > 28 29 Ag 0.33333333333333 0.00000000000000 0.00000000000000 107.868 > 28 30 Ag 0.66666666666667 0.00000000000000 0.00000000000000 107.868 > 28 31 Ag 0.00000000000000 0.33333333333333 0.00000000000000 107.868 > 28 32 Ag 0.33333333333333 0.33333333333333 0.00000000000000 107.868 > 28 33 Ag 0.66666666666667 0.33333333333333 0.00000000000000 107.868 > 28 34 Ag 0.00000000000000 0.66666666666667 0.00000000000000 107.868 > 28 35 Ag 0.33333333333333 0.66666666666667 0.00000000000000 107.868 > 28 36 Ag 0.66666666666667 0.66666666666667 0.00000000000000 107.868 > 28 37 Ag 0.22222222222222 0.11111111111111 0.33333333333333 107.868 > 28 38 Ag 0.55555555555556 0.11111111111111 0.33333333333333 107.868 > 28 39 Ag 0.88888888888889 0.11111111111111 0.33333333333333 107.868 > 28 40 Ag 0.22222222222222 0.44444444444444 0.33333333333333 107.868 > 28 41 Ag 0.55555555555556 0.44444444444444 0.33333333333333 107.868 > 28 42 Ag 0.88888888888889 0.44444444444444 0.33333333333333 107.868 > 28 43 Ag 0.22222222222222 0.77777777777778 0.33333333333333 107.868 > 28 44 Ag 0.55555555555556 0.77777777777778 0.33333333333333 107.868 > 28 45 Ag 0.88888888888889 0.77777777777778 0.33333333333333 107.868 > 28 46 Ag 0.11111111111111 0.22222222222222 0.66666666666667 107.868 > 28 47 Ag 0.44444444444444 0.22222222222222 0.66666666666667 107.868 > 28 48 Ag 0.77777777777778 0.22222222222222 0.66666666666667 107.868 > 28 49 Ag 0.11111111111111 0.55555555555556 0.66666666666667 107.868 > 28 50 Ag 0.44444444444444 0.55555555555556 0.66666666666667 107.868 > 28 51 Ag 0.77777777777778 0.55555555555556 0.66666666666667 107.868 > 28 52 Ag 0.11111111111111 0.88888888888889 0.66666666666667 107.868 > 28 53 Ag 0.44444444444444 0.88888888888889 0.66666666666667 107.868 > 28 54 Ag 0.77777777777778 0.88888888888889 0.66666666666667 107.868 > 28 55 O 0.00000000000000 0.00000000000000 0.88868276016957 15.999 > 55 56 O 0.33333333333333 0.00000000000000 0.88868276016957 15.999 > 55 57 O 0.66666666666667 0.00000000000000 0.88868276016957 15.999 > 55 58 O 0.00000000000000 0.33333333333333 0.88868276016957 15.999 > 55 59 O 0.33333333333333 0.33333333333333 0.88868276016957 15.999 > 55 60 O 0.66666666666667 0.33333333333333 0.88868276016957 15.999 > 55 61 O 0.00000000000000 0.66666666666667 0.88868276016957 15.999 > 55 62 O 0.33333333333333 0.66666666666667 0.88868276016957 15.999 > 55 63 O 0.66666666666667 0.66666666666667 0.88868276016957 15.999 > 55 64 O 0.11111111111111 0.22222222222222 0.77798390649710 15.999 > 64 65 O 0.44444444444444 0.22222222222222 0.77798390649710 15.999 > 64 66 O 0.77777777777778 0.22222222222222 0.77798390649710 15.999 > 64 67 O 0.11111111111111 0.55555555555556 0.77798390649710 15.999 > 64 68 O 0.44444444444444 0.55555555555556 0.77798390649710 15.999 > 64 69 O 0.77777777777778 0.55555555555556 0.77798390649710 15.999 > 64 70 O 0.11111111111111 0.88888888888889 0.77798390649710 15.999 > 64 71 O 0.44444444444444 0.88888888888889 0.77798390649710 15.999 > 64 72 O 0.77777777777778 0.88888888888889 0.77798390649710 15.999 > 64 73 O 0.22222222222222 0.11111111111111 0.22201609350290 15.999 > 55 74 O 0.55555555555556 0.11111111111111 0.22201609350290 15.999 > 55 75 O 0.88888888888889 0.11111111111111 0.22201609350290 15.999 > 55 76 O 0.22222222222222 0.44444444444444 0.22201609350290 15.999 > 55 77 O 0.55555555555556 0.44444444444444 0.22201609350290 15.999 > 55 78 O 0.88888888888889 0.44444444444444 0.22201609350290 15.999 > 55 79 O 0.22222222222222 0.77777777777778 0.22201609350290 15.999 > 55 80 O 0.55555555555556 0.77777777777778 0.22201609350290 15.999 > 55 81 O 0.88888888888889 0.77777777777778 0.22201609350290 15.999 > 55 82 O 0.00000000000000 0.00000000000000 0.11131723983043 15.999 > 64 83 O 0.33333333333333 0.00000000000000 0.11131723983043 15.999 > 64 84 O 0.66666666666667 0.00000000000000 0.11131723983043 15.999 > 64 85 O 0.00000000000000 0.33333333333333 0.11131723983043 15.999 > 64 86 O 0.33333333333333 0.33333333333333 0.11131723983043 15.999 > 64 87 O 0.66666666666667 0.33333333333333 0.11131723983043 15.999 > 64 88 O 0.00000000000000 0.66666666666667 0.11131723983043 15.999 > 64 89 O 0.33333333333333 0.66666666666667 0.11131723983043 15.999 > 64 90 O 0.66666666666667 0.66666666666667 0.11131723983043 15.999 > 64 91 O 0.11111111111111 0.22222222222222 0.55534942683623 15.999 > 55 92 O 0.44444444444444 0.22222222222222 0.55534942683623 15.999 > 55 93 O 0.77777777777778 0.22222222222222 0.55534942683623 15.999 > 55 94 O 0.11111111111111 0.55555555555556 0.55534942683623 15.999 > 55 95 O 0.44444444444444 0.55555555555556 0.55534942683623 15.999 > 55 96 O 0.77777777777778 0.55555555555556 0.55534942683623 15.999 > 55 97 O 0.11111111111111 0.88888888888889 0.55534942683623 15.999 > 55 98 O 0.44444444444444 0.88888888888889 0.55534942683623 15.999 > 55 99 O 0.77777777777778 0.88888888888889 0.55534942683623 15.999 > 55 100 O 0.22222222222222 0.11111111111111 0.44465057316377 15.999 > 64 101 O 0.55555555555556 0.11111111111111 0.44465057316377 15.999 > 64 102 O 0.88888888888889 0.11111111111111 0.44465057316377 15.999 > 64 103 O 0.22222222222222 0.44444444444444 0.44465057316377 15.999 > 64 104 O 0.55555555555556 0.44444444444444 0.44465057316377 15.999 > 64 105 O 0.88888888888889 0.44444444444444 0.44465057316377 15.999 > 64 106 O 0.22222222222222 0.77777777777778 0.44465057316377 15.999 > 64 107 O 0.55555555555556 0.77777777777778 0.44465057316377 15.999 > 64 108 O 0.88888888888889 0.77777777777778 0.44465057316377 15.999 > 64----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 6.3124784 -0.0000000 0.0000000 0.0000000 6.3124784 0.0000000 0.0000000 0.0000000 5.6881155-------------------------- Born effective charges -------------------------- 1 Sc 4.3801070 0.0000000 0.0000000 0.0000000 4.3801070 0.0000000 0.0000000 0.0000000 3.2790113 2 Ag 0.5322561 -0.0000000 0.0000000 0.0000000 0.5322561 0.0000000 0.0000000 0.0000000 1.7178165 3 O -2.4561815 -0.0000000 0.0000000 0.0000000 -2.4561815 0.0000000 0.0000000 0.0000000 -2.4984139 4 O -2.4561815 -0.0000000 0.0000000 0.0000000 -2.4561815 0.0000000 0.0000000 0.0000000 -2.4984139----------------------------------------------------------------------------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[ 28, 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]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz)fc3 was written into "fc3.hdf5".Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-09 04:33:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-09 04:33:58]-------------------------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 1.596907674787080 0.921975075909298 6.144487893333325 b -1.596907674787077 0.921975075909298 6.144487893333325 c 0.000000000000002 -1.843950151818599 6.144487893333325Atomic positions (fractional): 1 Sc 0.50000000000000 0.50000000000000 0.50000000000000 44.956 2 Ag 0.00000000000000 0.00000000000000 0.00000000000000 107.868 3 O 0.88868276016957 0.88868276016957 0.88868276016957 15.999 4 O 0.11131723983043 0.11131723983044 0.11131723983043 15.999-------------------------------- supercell ---------------------------------Lattice vectors: a 9.581446048722471 0.000000000000000 0.000000000000000 b -4.790723024361236 8.297775683183694 0.000000000000000 c 0.000000000000000 0.000000000000000 18.433463679999996Atomic positions (fractional): 1 Sc 0.22222222222222 0.11111111111111 0.83333333333333 44.956 > 1 2 Sc 0.55555555555556 0.11111111111111 0.83333333333333 44.956 > 1 3 Sc 0.88888888888889 0.11111111111111 0.83333333333333 44.956 > 1 4 Sc 0.22222222222222 0.44444444444444 0.83333333333333 44.956 > 1 5 Sc 0.55555555555556 0.44444444444444 0.83333333333333 44.956 > 1 6 Sc 0.88888888888889 0.44444444444444 0.83333333333333 44.956 > 1 7 Sc 0.22222222222222 0.77777777777778 0.83333333333333 44.956 > 1 8 Sc 0.55555555555556 0.77777777777778 0.83333333333333 44.956 > 1 9 Sc 0.88888888888889 0.77777777777778 0.83333333333333 44.956 > 1 10 Sc 0.11111111111111 0.22222222222222 0.16666666666667 44.956 > 1 11 Sc 0.44444444444444 0.22222222222222 0.16666666666667 44.956 > 1 12 Sc 0.77777777777778 0.22222222222222 0.16666666666667 44.956 > 1 13 Sc 0.11111111111111 0.55555555555556 0.16666666666667 44.956 > 1 14 Sc 0.44444444444444 0.55555555555556 0.16666666666667 44.956 > 1 15 Sc 0.77777777777778 0.55555555555556 0.16666666666667 44.956 > 1 16 Sc 0.11111111111111 0.88888888888889 0.16666666666667 44.956 > 1 17 Sc 0.44444444444444 0.88888888888889 0.16666666666667 44.956 > 1 18 Sc 0.77777777777778 0.88888888888889 0.16666666666667 44.956 > 1 19 Sc 0.00000000000000 0.00000000000000 0.50000000000000 44.956 > 1 20 Sc 0.33333333333333 0.00000000000000 0.50000000000000 44.956 > 1 21 Sc 0.66666666666667 0.00000000000000 0.50000000000000 44.956 > 1 22 Sc 0.00000000000000 0.33333333333333 0.50000000000000 44.956 > 1 23 Sc 0.33333333333333 0.33333333333333 0.50000000000000 44.956 > 1 24 Sc 0.66666666666667 0.33333333333333 0.50000000000000 44.956 > 1 25 Sc 0.00000000000000 0.66666666666667 0.50000000000000 44.956 > 1 26 Sc 0.33333333333333 0.66666666666667 0.50000000000000 44.956 > 1 27 Sc 0.66666666666667 0.66666666666667 0.50000000000000 44.956 > 1 28 Ag 0.00000000000000 0.00000000000000 0.00000000000000 107.868 > 28 29 Ag 0.33333333333333 0.00000000000000 0.00000000000000 107.868 > 28 30 Ag 0.66666666666667 0.00000000000000 0.00000000000000 107.868 > 28 31 Ag 0.00000000000000 0.33333333333333 0.00000000000000 107.868 > 28 32 Ag 0.33333333333333 0.33333333333333 0.00000000000000 107.868 > 28 33 Ag 0.66666666666667 0.33333333333333 0.00000000000000 107.868 > 28 34 Ag 0.00000000000000 0.66666666666667 0.00000000000000 107.868 > 28 35 Ag 0.33333333333333 0.66666666666667 0.00000000000000 107.868 > 28 36 Ag 0.66666666666667 0.66666666666667 0.00000000000000 107.868 > 28 37 Ag 0.22222222222222 0.11111111111111 0.33333333333333 107.868 > 28 38 Ag 0.55555555555556 0.11111111111111 0.33333333333333 107.868 > 28 39 Ag 0.88888888888889 0.11111111111111 0.33333333333333 107.868 > 28 40 Ag 0.22222222222222 0.44444444444444 0.33333333333333 107.868 > 28 41 Ag 0.55555555555556 0.44444444444444 0.33333333333333 107.868 > 28 42 Ag 0.88888888888889 0.44444444444444 0.33333333333333 107.868 > 28 43 Ag 0.22222222222222 0.77777777777778 0.33333333333333 107.868 > 28 44 Ag 0.55555555555556 0.77777777777778 0.33333333333333 107.868 > 28 45 Ag 0.88888888888889 0.77777777777778 0.33333333333333 107.868 > 28 46 Ag 0.11111111111111 0.22222222222222 0.66666666666667 107.868 > 28 47 Ag 0.44444444444444 0.22222222222222 0.66666666666667 107.868 > 28 48 Ag 0.77777777777778 0.22222222222222 0.66666666666667 107.868 > 28 49 Ag 0.11111111111111 0.55555555555556 0.66666666666667 107.868 > 28 50 Ag 0.44444444444444 0.55555555555556 0.66666666666667 107.868 > 28 51 Ag 0.77777777777778 0.55555555555556 0.66666666666667 107.868 > 28 52 Ag 0.11111111111111 0.88888888888889 0.66666666666667 107.868 > 28 53 Ag 0.44444444444444 0.88888888888889 0.66666666666667 107.868 > 28 54 Ag 0.77777777777778 0.88888888888889 0.66666666666667 107.868 > 28 55 O 0.00000000000000 0.00000000000000 0.88868276016957 15.999 > 55 56 O 0.33333333333333 0.00000000000000 0.88868276016957 15.999 > 55 57 O 0.66666666666667 0.00000000000000 0.88868276016957 15.999 > 55 58 O 0.00000000000000 0.33333333333333 0.88868276016957 15.999 > 55 59 O 0.33333333333333 0.33333333333333 0.88868276016957 15.999 > 55 60 O 0.66666666666667 0.33333333333333 0.88868276016957 15.999 > 55 61 O 0.00000000000000 0.66666666666667 0.88868276016957 15.999 > 55 62 O 0.33333333333333 0.66666666666667 0.88868276016957 15.999 > 55 63 O 0.66666666666667 0.66666666666667 0.88868276016957 15.999 > 55 64 O 0.11111111111111 0.22222222222222 0.77798390649710 15.999 > 64 65 O 0.44444444444444 0.22222222222222 0.77798390649710 15.999 > 64 66 O 0.77777777777778 0.22222222222222 0.77798390649710 15.999 > 64 67 O 0.11111111111111 0.55555555555556 0.77798390649710 15.999 > 64 68 O 0.44444444444444 0.55555555555556 0.77798390649710 15.999 > 64 69 O 0.77777777777778 0.55555555555556 0.77798390649710 15.999 > 64 70 O 0.11111111111111 0.88888888888889 0.77798390649710 15.999 > 64 71 O 0.44444444444444 0.88888888888889 0.77798390649710 15.999 > 64 72 O 0.77777777777778 0.88888888888889 0.77798390649710 15.999 > 64 73 O 0.22222222222222 0.11111111111111 0.22201609350290 15.999 > 55 74 O 0.55555555555556 0.11111111111111 0.22201609350290 15.999 > 55 75 O 0.88888888888889 0.11111111111111 0.22201609350290 15.999 > 55 76 O 0.22222222222222 0.44444444444444 0.22201609350290 15.999 > 55 77 O 0.55555555555556 0.44444444444444 0.22201609350290 15.999 > 55 78 O 0.88888888888889 0.44444444444444 0.22201609350290 15.999 > 55 79 O 0.22222222222222 0.77777777777778 0.22201609350290 15.999 > 55 80 O 0.55555555555556 0.77777777777778 0.22201609350290 15.999 > 55 81 O 0.88888888888889 0.77777777777778 0.22201609350290 15.999 > 55 82 O 0.00000000000000 0.00000000000000 0.11131723983043 15.999 > 64 83 O 0.33333333333333 0.00000000000000 0.11131723983043 15.999 > 64 84 O 0.66666666666667 0.00000000000000 0.11131723983043 15.999 > 64 85 O 0.00000000000000 0.33333333333333 0.11131723983043 15.999 > 64 86 O 0.33333333333333 0.33333333333333 0.11131723983043 15.999 > 64 87 O 0.66666666666667 0.33333333333333 0.11131723983043 15.999 > 64 88 O 0.00000000000000 0.66666666666667 0.11131723983043 15.999 > 64 89 O 0.33333333333333 0.66666666666667 0.11131723983043 15.999 > 64 90 O 0.66666666666667 0.66666666666667 0.11131723983043 15.999 > 64 91 O 0.11111111111111 0.22222222222222 0.55534942683623 15.999 > 55 92 O 0.44444444444444 0.22222222222222 0.55534942683623 15.999 > 55 93 O 0.77777777777778 0.22222222222222 0.55534942683623 15.999 > 55 94 O 0.11111111111111 0.55555555555556 0.55534942683623 15.999 > 55 95 O 0.44444444444444 0.55555555555556 0.55534942683623 15.999 > 55 96 O 0.77777777777778 0.55555555555556 0.55534942683623 15.999 > 55 97 O 0.11111111111111 0.88888888888889 0.55534942683623 15.999 > 55 98 O 0.44444444444444 0.88888888888889 0.55534942683623 15.999 > 55 99 O 0.77777777777778 0.88888888888889 0.55534942683623 15.999 > 55 100 O 0.22222222222222 0.11111111111111 0.44465057316377 15.999 > 64 101 O 0.55555555555556 0.11111111111111 0.44465057316377 15.999 > 64 102 O 0.88888888888889 0.11111111111111 0.44465057316377 15.999 > 64 103 O 0.22222222222222 0.44444444444444 0.44465057316377 15.999 > 64 104 O 0.55555555555556 0.44444444444444 0.44465057316377 15.999 > 64 105 O 0.88888888888889 0.44444444444444 0.44465057316377 15.999 > 64 106 O 0.22222222222222 0.77777777777778 0.44465057316377 15.999 > 64 107 O 0.55555555555556 0.77777777777778 0.44465057316377 15.999 > 64 108 O 0.88888888888889 0.77777777777778 0.44465057316377 15.999 > 64----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 6.3124784 -0.0000000 0.0000000 0.0000000 6.3124784 0.0000000 0.0000000 0.0000000 5.6881155-------------------------- Born effective charges -------------------------- 1 Sc 4.3801070 0.0000000 0.0000000 0.0000000 4.3801070 0.0000000 0.0000000 0.0000000 3.2790113 2 Ag 0.5322561 -0.0000000 0.0000000 0.0000000 0.5322561 0.0000000 0.0000000 0.0000000 1.7178165 3 O -2.4561815 -0.0000000 0.0000000 0.0000000 -2.4561815 0.0000000 0.0000000 0.0000000 -2.4984139 4 O -2.4561815 -0.0000000 0.0000000 0.0000000 -2.4561815 0.0000000 0.0000000 0.0000000 -2.4984139----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz)Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- 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 ... [ 18 18 18 ]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: 1.10, Number of G-points: 307, Lambda: 0.28Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/580) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 580Calculating 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 2.867 ( 0.000 0.000 0.000) 0.000 2.867 ( 0.000 0.000 0.000) 0.000 9.171 ( 0.000 0.000 0.000) 0.000 10.332 ( 0.000 0.000 0.000) 0.000 10.332 ( 0.000 0.000 0.000) 0.000 11.592 ( 0.000 0.000 0.000) 0.000 11.592 ( 0.000 0.000 0.000) 0.000 16.320 ( 0.000 0.000 0.000) 0.000 19.052 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/580) =======================q-point: ( 0.06 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.402 ( 12.940 7.471 38.225) 41.042 0.642 ( 26.072 15.053 0.830) 30.117 1.089 ( 36.380 21.004 4.027) 42.201 2.943 ( 7.081 4.088 -2.250) 8.480 3.203 ( 30.686 17.717 -0.587) 35.438 9.092 ( -6.528 -3.769 -2.300) 7.880 10.345 ( 1.209 0.698 -0.642) 1.536 11.574 ( -1.619 -0.935 0.184) 1.878 11.581 ( -1.070 -0.618 0.628) 1.386 15.536 ( 28.300 16.339 -214.053) 216.533 16.854 ( -26.329 -15.201 192.116) 194.506 19.002 ( -4.714 -2.721 3.705) 6.584======================= Grid point 2 (3/580) =======================q-point: ( 0.11 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.839 ( 15.224 8.790 35.291) 39.427 1.181 ( 19.434 11.220 1.921) 22.523 1.651 ( 13.540 7.818 4.308) 16.218 3.196 ( 15.849 9.151 -4.245) 18.787 4.266 ( 57.510 33.204 -0.435) 66.409 8.856 ( -12.861 -7.425 -5.144) 15.716 10.386 ( 2.583 1.491 -1.349) 3.273 11.519 ( -3.111 -1.796 0.291) 3.604 11.547 ( -2.148 -1.240 1.347) 2.822 15.550 ( 12.992 7.501 -95.205) 96.379 16.806 ( -13.164 -7.600 79.428) 80.869 18.861 ( -8.727 -5.039 7.532) 12.581======================= Grid point 3 (4/580) =======================q-point: ( 0.17 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.316 ( 17.161 9.908 30.353) 36.249 1.544 ( 11.506 6.643 2.559) 13.530 1.869 ( 5.624 3.247 6.249) 9.012 3.649 ( 23.964 13.835 -5.218) 28.159 5.709 ( 64.810 37.418 -0.336) 74.836 8.467 ( -18.979 -10.958 -7.421) 23.138 10.457 ( 4.060 2.344 -2.218) 5.187 11.436 ( -3.981 -2.299 0.308) 4.608 11.491 ( -3.124 -1.803 2.279) 4.267 15.560 ( 6.817 3.936 -51.553) 52.151 16.720 ( -9.094 -5.250 35.056) 36.595 18.652 ( -11.525 -6.654 11.441) 17.550======================= Grid point 4 (5/580) =======================q-point: ( 0.22 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.750 ( 6.181 3.569 2.420) 7.536 1.785 ( 15.310 8.839 13.593) 22.300 2.012 ( 5.672 3.275 20.412) 21.437 4.241 ( 27.589 15.928 -5.075) 32.259 7.206 ( 63.497 36.660 -0.508) 73.322 7.936 ( -24.410 -14.093 -9.390) 29.710 10.558 ( 5.245 3.028 -3.418) 6.955 11.347 ( -3.450 -1.992 0.436) 4.007 11.419 ( -3.703 -2.138 3.597) 5.587 15.549 ( 2.457 1.418 -28.113) 28.256 16.594 ( -7.595 -4.385 9.221) 12.725 18.406 ( -12.891 -7.442 14.953) 21.099======================= Grid point 5 (6/580) =======================q-point: ( 0.28 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.865 ( 3.411 1.969 1.970) 4.404 1.980 ( 3.650 2.107 -3.652) 5.577 2.385 ( 15.822 9.135 35.396) 39.833 4.864 ( 26.692 15.411 -4.419) 31.136 7.288 ( -28.536 -16.475 -10.380) 34.547 8.610 ( 56.769 32.775 -2.090) 65.584 10.672 ( 5.403 3.120 -5.091) 8.053 11.301 ( 0.036 0.021 1.325) 1.326 11.348 ( -3.368 -1.945 5.409) 6.662 15.498 ( -1.524 -0.880 -14.237) 14.346 16.425 ( -7.225 -4.171 -6.621) 10.651 18.154 ( -12.850 -7.419 17.044) 22.598======================= Grid point 6 (7/580) =======================q-point: ( 0.33 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.930 ( 1.950 1.126 1.475) 2.691 2.028 ( 1.624 0.937 -1.980) 2.726 2.864 ( 16.430 9.486 31.475) 36.750 5.428 ( 22.577 13.035 -3.556) 26.311 6.567 ( -30.274 -17.478 -12.094) 36.990 9.746 ( 39.387 22.740 -4.315) 45.684 10.764 ( 3.747 2.164 -6.604) 7.896 11.307 ( -1.561 -0.901 7.018) 7.246 11.424 ( 12.175 7.029 4.000) 14.617 15.386 ( -5.596 -3.231 -6.661) 9.280 16.224 ( -7.207 -4.161 -14.083) 16.358 17.921 ( -11.420 -6.593 16.597) 21.198======================= Grid point 7 (8/580) =======================q-point: ( 0.39 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.969 ( 1.082 0.625 0.985) 1.591 2.051 ( 0.849 0.490 -1.052) 1.438 3.334 ( 16.407 9.472 27.780) 33.625 5.834 ( -29.034 -16.763 -14.044) 36.349 5.872 ( 16.243 9.378 -2.523) 18.924 10.325 ( 13.184 7.612 -5.154) 16.072 10.800 ( 1.158 0.669 -5.936) 6.085 11.320 ( 0.700 0.404 6.332) 6.384 11.957 ( 30.505 17.612 5.921) 35.718 15.191 ( -9.969 -5.756 -4.001) 12.187 16.020 ( -6.437 -3.716 -13.606) 15.504 17.732 ( -8.558 -4.941 13.122) 16.427======================= Grid point 8 (9/580) =======================q-point: ( 0.44 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.989 ( 0.486 0.280 0.495) 0.748 2.063 ( 0.380 0.219 -0.465) 0.639 3.790 ( 16.058 9.271 22.344) 29.035 5.167 ( -23.735 -13.703 -15.092) 31.287 6.155 ( 8.475 4.893 -1.319) 9.875 10.472 ( 2.882 1.664 -2.822) 4.364 10.795 ( -0.056 -0.032 -3.200) 3.201 11.360 ( 1.125 0.650 3.444) 3.681 12.685 ( 26.944 15.556 4.589) 31.448 14.912 ( -11.951 -6.900 -3.532) 14.245 15.864 ( -3.805 -2.197 -7.544) 8.730 17.610 ( -4.544 -2.624 7.175) 8.889======================= Grid point 9 (10/580) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 775Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.995 ( 0.000 0.000 -0.000) 0.000 2.067 ( 0.000 0.000 -0.000) 0.000 4.092 ( 0.000 0.000 0.000) 0.000 4.784 ( -0.000 -0.000 -0.000) 0.000 6.252 ( 0.000 0.000 0.000) 0.000 10.496 ( 0.000 0.000 0.000) 0.000 10.789 ( 0.000 0.000 0.000) 0.000 11.380 ( 0.000 0.000 0.000) 0.000 13.048 ( 0.000 0.000 0.000) 0.000 14.731 ( 0.000 0.000 0.000) 0.000 15.808 ( 0.000 0.000 -0.000) 0.000 17.567 ( 0.000 0.000 0.000) 0.000======================= Grid point 20 (11/580) =======================q-point: ( 0.06 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.543 ( -0.000 10.869 52.755) 53.863 0.652 ( -0.000 29.812 3.031) 29.965 1.108 ( -0.000 41.360 9.337) 42.401 2.944 ( 0.000 8.580 -2.079) 8.828 3.189 ( -0.000 35.119 -3.577) 35.301 9.089 ( 0.000 -7.432 -3.080) 8.045 10.339 ( 0.000 1.285 -2.043) 2.414 11.581 ( -0.000 -1.667 1.690) 2.373 11.587 ( -0.000 -1.145 1.981) 2.288 14.923 ( 0.000 68.407 -209.827) 220.696 17.369 ( -0.000 -58.572 168.074) 177.988 19.019 ( -0.000 -5.675 7.951) 9.768======================= Grid point 21 (12/580) =======================q-point: ( 0.11 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.869 ( 7.115 10.636 46.531) 48.259 1.070 ( 12.479 21.863 3.091) 25.363 1.578 ( 9.803 17.758 9.659) 22.467 3.112 ( 7.357 15.045 -4.033) 17.226 3.899 ( 30.918 51.470 -3.073) 60.121 8.917 ( -7.290 -11.001 -5.907) 14.459 10.368 ( 1.824 2.515 -2.650) 4.084 11.552 ( -2.106 -2.134 1.793) 3.493 11.563 ( -1.216 -1.820 2.532) 3.347 15.147 ( 14.708 32.408 -115.016) 120.396 17.133 ( -12.887 -29.710 87.197) 93.017 18.938 ( -4.438 -8.081 11.022) 14.369======================= Grid point 22 (13/580) =======================q-point: ( 0.17 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.268 ( 11.717 10.338 36.492) 39.697 1.459 ( 10.212 12.900 3.426) 16.806 1.848 ( 5.150 6.936 11.789) 14.615 3.487 ( 15.230 22.958 -5.396) 28.074 5.147 ( 49.266 53.038 -1.951) 72.415 8.587 ( -13.119 -14.961 -8.121) 21.492 10.432 ( 2.583 4.371 -3.260) 6.034 11.481 ( -3.646 -2.714 1.603) 4.820 11.525 ( -2.003 -2.045 3.109) 4.226 15.331 ( 9.512 16.909 -65.706) 68.510 16.897 ( -9.676 -17.715 42.398) 46.958 18.776 ( -7.862 -9.952 13.848) 18.779======================= Grid point 23 (14/580) =======================q-point: ( 0.22 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.664 ( 11.470 7.101 15.549) 20.585 1.712 ( 7.234 7.674 5.285) 11.797 2.033 ( 4.775 5.810 24.339) 25.474 4.043 ( 19.891 28.384 -5.415) 35.080 6.576 ( 55.599 48.040 -2.067) 73.507 8.117 ( -18.547 -18.125 -9.315) 27.555 10.524 ( 3.188 5.859 -4.061) 7.809 11.388 ( -3.919 -2.962 1.493) 5.134 11.473 ( -2.957 -1.573 3.896) 5.137 15.429 ( 4.936 9.133 -38.414) 39.792 16.685 ( -7.585 -12.375 15.445) 21.195 18.558 ( -9.929 -11.259 16.242) 22.117======================= Grid point 24 (15/580) =======================q-point: ( 0.28 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.834 ( 3.783 2.979 2.577) 5.461 1.914 ( 5.704 3.162 -1.979) 6.815 2.352 ( 11.536 9.265 39.079) 41.786 4.678 ( 20.097 30.001 -4.803) 36.428 7.514 ( -21.326 -19.476 -14.316) 32.234 8.004 ( 52.843 40.900 1.272) 66.834 10.632 ( 3.507 6.616 -5.111) 9.066 11.307 ( -2.312 -2.518 1.875) 3.899 11.420 ( -3.374 -0.255 4.878) 5.937 15.455 ( 1.082 3.603 -21.849) 22.171 16.473 ( -6.835 -9.076 -1.600) 11.474 18.311 ( -10.568 -11.984 17.599) 23.770======================= Grid point 25 (16/580) =======================q-point: ( 0.33 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.912 ( 2.201 1.492 1.771) 3.195 1.994 ( 2.687 1.258 -2.688) 4.004 2.792 ( 14.281 9.290 35.848) 39.690 5.285 ( 16.828 28.095 -4.110) 33.006 6.843 ( -26.600 -19.503 -13.396) 35.600 9.260 ( 45.882 32.417 -2.095) 56.217 10.741 ( 2.829 7.142 -6.311) 9.942 11.291 ( 2.404 -1.809 4.490) 5.405 11.400 ( -0.732 3.063 4.917) 5.839 15.405 ( -2.675 -0.833 -12.012) 12.334 16.256 ( -6.692 -6.765 -10.931) 14.493 18.064 ( -9.904 -11.954 17.199) 23.169======================= Grid point 26 (17/580) =======================q-point: ( 0.39 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.957 ( 1.331 0.663 1.176) 1.896 2.032 ( 1.520 0.589 -1.858) 2.472 3.237 ( 15.062 8.384 31.043) 35.508 5.738 ( 6.791 11.474 -5.600) 14.462 6.185 ( -23.617 -3.872 -12.315) 26.915 10.118 ( 22.755 16.360 -3.748) 28.275 10.825 ( -0.159 8.095 -6.670) 10.490 11.339 ( 0.788 0.399 7.003) 7.058 11.635 ( 22.142 10.062 4.943) 24.818 15.268 ( -6.937 -4.251 -7.478) 11.050 16.046 ( -6.083 -5.203 -12.842) 15.133 17.839 ( -8.024 -10.876 14.494) 19.818======================= Grid point 27 (18/580) =======================q-point: ( 0.44 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.982 ( 0.753 0.155 0.652) 1.008 2.052 ( 0.891 0.237 -1.213) 1.523 3.669 ( 15.555 7.317 25.529) 30.777 5.354 ( -21.781 -19.234 -15.685) 33.021 6.246 ( -0.465 26.834 -2.378) 26.943 10.421 ( 5.618 4.520 -2.218) 7.544 10.855 ( -3.185 7.706 -4.405) 9.430 11.377 ( 0.069 2.103 4.519) 4.985 12.300 ( 33.630 12.108 4.523) 36.028 15.034 ( -11.079 -6.126 -6.616) 14.285 15.879 ( -3.826 -3.630 -8.329) 9.859 17.661 ( -5.014 -8.753 9.459) 13.828======================= Grid point 28 (19/580) =======================q-point: ( 0.50 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.992 ( 0.291 -0.179 0.171) 0.382 2.062 ( 0.457 -0.001 -0.723) 0.855 4.033 ( 9.518 2.127 12.489) 15.846 4.826 ( -11.659 -9.771 -10.262) 18.349 6.430 ( -7.030 22.345 -0.694) 23.435 10.494 ( 1.096 1.314 0.420) 1.762 10.859 ( -3.736 7.471 -1.307) 8.455 11.401 ( -0.987 1.987 1.313) 2.578 12.880 ( 19.253 0.805 1.487) 19.327 14.780 ( -7.598 -2.587 -5.100) 9.510 15.803 ( -0.245 -1.428 -0.889) 1.700 17.550 ( -1.142 -6.136 2.757) 6.823======================= Grid point 29 (20/580) =======================q-point: (-0.44 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.990 ( -0.164 -0.416 -0.274) 0.525 2.064 ( 0.082 -0.204 -0.289) 0.364 3.897 ( -14.132 -10.676 -16.849) 24.445 4.929 ( 19.338 7.379 11.963) 23.906 6.437 ( -15.295 17.628 0.755) 23.351 10.506 ( -1.062 -0.008 3.103) 3.280 10.873 ( -3.418 7.575 1.746) 8.492 11.386 ( -2.474 1.234 -1.961) 3.390 12.857 ( -11.868 -16.905 -3.596) 20.965 14.797 ( 8.239 5.941 -1.488) 10.265 15.840 ( 3.562 1.181 7.344) 8.247 17.517 ( 3.301 -3.619 -4.625) 6.737======================= Grid point 30 (21/580) =======================q-point: (-0.39 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.976 ( -0.714 -0.617 -0.680) 1.164 2.059 ( -0.307 -0.409 0.185) 0.544 3.446 ( -16.758 -10.393 -23.485) 30.665 5.480 ( 27.406 8.468 12.316) 31.216 6.267 ( -22.201 14.448 2.317) 26.590 10.456 ( -6.155 -2.526 5.487) 8.624 10.897 ( -3.932 7.244 4.908) 9.594 11.333 ( -3.048 0.426 -5.276) 6.108 12.253 ( -27.791 -23.048 -5.876) 36.580 15.059 ( 12.348 6.161 -1.002) 13.836 15.987 ( 6.284 3.334 15.288) 16.862 17.566 ( 8.053 -1.360 -11.506) 14.110======================= Grid point 31 (22/580) =======================q-point: (-0.33 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.947 ( -1.484 -0.844 -1.046) 2.002 2.045 ( -0.826 -0.673 0.847) 1.361 2.978 ( -17.265 -9.275 -25.760) 32.368 5.782 ( -16.972 0.362 4.228) 17.494 6.282 ( 19.218 17.765 9.121) 27.715 10.163 ( -26.079 -12.156 6.059) 29.404 10.887 ( -6.884 4.433 6.887) 10.699 11.273 ( -0.830 -0.920 -7.617) 7.717 11.590 ( -19.069 -13.271 -4.998) 23.764 15.301 ( 9.697 3.935 -0.111) 10.465 16.190 ( 6.421 3.501 18.703) 20.082 17.700 ( 12.387 0.742 -16.010) 20.256======================= Grid point 32 (23/580) =======================q-point: (-0.28 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.898 ( -2.701 -1.187 -1.380) 3.257 2.019 ( -1.777 -1.182 2.206) 3.070 2.501 ( -18.192 -8.319 -27.338) 33.875 5.320 ( -32.478 -0.446 3.641) 32.684 6.940 ( 30.559 12.990 8.157) 34.193 9.285 ( -51.921 -24.400 3.175) 57.456 10.792 ( -7.951 0.563 4.854) 9.332 11.254 ( 2.174 -1.422 -3.669) 4.495 11.362 ( -2.900 1.793 -3.248) 4.709 15.480 ( 6.529 2.870 4.544) 8.457 16.371 ( 5.244 1.749 13.997) 15.049 17.910 ( 15.149 2.563 -16.402) 22.474======================= Grid point 33 (24/580) =======================q-point: (-0.22 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.813 ( -5.101 -2.174 -2.089) 5.925 1.940 ( -10.758 -5.523 2.662) 12.383 2.046 ( -11.393 -3.023 -26.553) 29.051 4.717 ( -35.561 -2.599 3.828) 35.861 7.601 ( 28.572 9.809 4.461) 30.537 8.011 ( -62.862 -27.047 3.352) 68.516 10.669 ( -7.690 0.024 2.829) 8.194 11.298 ( 3.654 0.784 -0.299) 3.749 11.384 ( 1.950 3.063 -2.793) 4.581 15.621 ( 3.335 2.768 14.068) 14.721 16.486 ( 4.571 -0.516 1.046) 4.717 18.169 ( 15.868 3.625 -13.208) 20.961======================= Grid point 34 (25/580) =======================q-point: (-0.17 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.482 ( -20.208 -7.621 -18.540) 28.464 1.684 ( -9.526 -1.728 -1.719) 9.833 1.922 ( -4.310 -1.026 -3.526) 5.662 4.084 ( -33.981 -3.533 3.534) 34.346 6.584 ( -69.512 -23.596 -0.312) 73.409 8.184 ( 25.345 6.072 5.505) 26.637 10.549 ( -6.783 0.219 1.512) 6.953 11.383 ( 4.455 1.548 0.222) 4.722 11.448 ( 2.941 1.837 -1.607) 3.822 15.746 ( 0.424 3.087 29.764) 29.926 16.524 ( 4.444 -2.285 -19.218) 19.857 18.442 ( 14.882 3.524 -8.546) 17.520======================= Grid point 35 (26/580) =======================q-point: (-0.11 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.009 ( -20.443 -4.742 -15.145) 25.880 1.439 ( -16.489 -2.296 -0.969) 16.677 1.796 ( -8.621 -1.649 -1.470) 8.899 3.522 ( -27.095 -2.593 2.317) 27.318 5.155 ( -70.417 -15.423 -0.182) 72.087 8.636 ( 19.738 3.048 2.838) 20.172 10.450 ( -5.130 0.171 0.630) 5.171 11.474 ( 4.099 1.268 0.162) 4.294 11.507 ( 2.815 0.567 -0.704) 2.957 15.892 ( -1.040 3.399 52.603) 52.723 16.471 ( 3.739 -3.212 -46.507) 46.768 18.694 ( 12.544 2.222 -3.984) 13.347======================= Grid point 36 (27/580) =======================q-point: (-0.06 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.608 ( -19.267 -0.000 0.000) 19.267 1.056 ( -25.329 -0.000 0.000) 25.329 1.539 ( -21.135 -0.000 0.000) 21.135 3.130 ( -16.566 -0.000 0.000) 16.566 3.914 ( -59.704 -0.000 0.000) 59.704 8.944 ( 13.218 0.000 -0.000) 13.218 10.380 ( -3.101 -0.000 0.000) 3.101 11.544 ( 2.888 0.000 -0.000) 2.888 11.552 ( 2.181 0.000 -0.000) 2.181 16.077 ( 2.177 0.000 -0.000) 2.177 16.332 ( -0.797 -0.000 0.000) 0.797 18.889 ( 9.055 0.000 -0.000) 9.055======================= Grid point 39 (28/580) =======================q-point: ( 0.11 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.058 ( -0.000 10.746 43.977) 45.271 1.199 ( -0.000 21.811 3.860) 22.150 1.717 ( -0.000 15.432 14.549) 21.209 3.203 ( 0.000 19.312 -3.519) 19.630 4.224 ( -0.000 66.458 -4.816) 66.633 8.843 ( 0.000 -13.895 -6.858) 15.495 10.362 ( 0.000 2.832 -3.750) 4.700 11.547 ( -0.000 -3.118 3.310) 4.548 11.568 ( -0.000 -2.466 3.506) 4.286 15.075 ( 0.000 38.365 -96.700) 104.033 17.134 ( -0.000 -34.750 66.101) 74.678 18.919 ( -0.000 -10.816 13.687) 17.445======================= Grid point 40 (29/580) =======================q-point: ( 0.17 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.329 ( 5.335 9.717 33.951) 35.715 1.466 ( 6.223 14.697 3.816) 16.410 1.914 ( 2.156 9.210 19.560) 21.727 3.505 ( 9.893 26.301 -4.207) 28.413 5.114 ( 23.176 68.371 -4.069) 72.307 8.590 ( -8.307 -17.020 -8.275) 20.668 10.413 ( 3.066 4.137 -4.370) 6.754 11.508 ( -2.012 -3.694 3.427) 5.425 11.539 ( -1.133 -2.611 3.968) 4.883 15.222 ( 5.081 27.243 -66.919) 72.430 16.925 ( -5.007 -26.626 38.865) 47.376 18.808 ( -3.923 -12.910 15.544) 20.583======================= Grid point 41 (30/580) =======================q-point: ( 0.22 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.614 ( 7.831 6.821 16.729) 19.690 1.694 ( 5.482 8.122 3.444) 10.387 2.114 ( 3.308 8.002 30.127) 31.347 4.032 ( 16.793 33.176 -4.482) 37.453 6.293 ( 37.119 60.891 -3.906) 71.420 8.181 ( -14.062 -19.471 -8.763) 25.567 10.513 ( 3.859 5.887 -4.901) 8.577 11.429 ( -3.542 -3.701 2.900) 5.887 11.506 ( -1.436 -2.045 4.432) 5.088 15.357 ( 3.732 16.573 -43.102) 46.329 16.688 ( -5.265 -19.046 16.613) 25.815 18.624 ( -6.820 -14.524 16.986) 23.366======================= Grid point 42 (31/580) =======================q-point: ( 0.28 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.803 ( 4.681 3.257 3.418) 6.649 1.851 ( 4.892 4.041 0.852) 6.402 2.399 ( 7.506 9.146 39.264) 41.007 4.685 ( 18.090 37.040 -4.309) 41.446 7.436 ( 19.823 15.986 -16.681) 30.443 7.786 ( 5.536 14.089 3.332) 15.500 10.628 ( 3.611 6.988 -5.326) 9.499 11.340 ( -3.441 -2.789 2.377) 5.027 11.477 ( -1.873 -0.738 4.961) 5.354 15.418 ( 1.222 7.869 -26.131) 27.317 16.463 ( -5.051 -12.990 0.262) 13.940 18.390 ( -8.385 -15.709 17.834) 25.202======================= Grid point 43 (32/580) =======================q-point: ( 0.33 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.892 ( 2.554 1.544 1.497) 3.339 1.948 ( 3.297 1.804 -1.813) 4.172 2.772 ( 11.054 8.653 37.815) 40.337 5.337 ( 14.640 36.213 -4.201) 39.285 7.009 ( -20.063 -20.400 -14.708) 32.171 8.848 ( 42.090 41.974 0.251) 59.443 10.744 ( 3.503 7.116 -5.580) 9.698 11.281 ( -1.526 -1.028 2.548) 3.143 11.463 ( -1.556 1.338 5.346) 5.726 15.400 ( -1.320 1.026 -14.682) 14.777 16.251 ( -5.326 -8.362 -10.300) 14.296 18.133 ( -8.521 -16.263 17.625) 25.450======================= Grid point 44 (33/580) =======================q-point: ( 0.39 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.942 ( 1.612 0.575 0.884) 1.926 2.001 ( 2.068 0.859 -1.904) 2.939 3.168 ( 12.836 7.125 32.934) 36.058 5.783 ( 1.421 13.006 -7.244) 14.955 6.499 ( -15.802 4.287 -11.448) 19.979 9.860 ( 30.346 27.813 -1.606) 41.195 10.873 ( 4.258 9.418 -6.385) 12.148 11.304 ( 3.945 0.286 5.651) 6.898 11.506 ( 3.353 4.322 4.415) 7.030 15.306 ( -4.325 -3.308 -8.201) 9.844 16.048 ( -5.449 -5.734 -14.446) 16.470 17.883 ( -7.319 -15.739 15.707) 23.409======================= Grid point 45 (34/580) =======================q-point: ( 0.44 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.969 ( 1.035 -0.009 0.447) 1.127 2.031 ( 1.323 0.378 -1.523) 2.052 3.555 ( 13.893 5.301 27.195) 30.995 5.460 ( -18.584 -19.334 -14.929) 30.693 6.627 ( -3.933 38.986 -3.723) 39.360 10.363 ( 8.438 9.972 -1.331) 13.131 10.999 ( -1.869 12.635 -6.349) 14.264 11.409 ( 1.847 2.500 6.324) 7.047 11.844 ( 28.527 6.942 3.827) 29.608 15.131 ( -8.483 -4.885 -6.445) 11.720 15.872 ( -3.724 -4.532 -11.531) 12.937 17.666 ( -5.045 -13.934 11.613) 18.827======================= Grid point 46 (35/580) =======================q-point: ( 0.50 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.982 ( 0.602 -0.362 0.088) 0.708 2.048 ( 0.831 0.086 -1.142) 1.414 3.903 ( 12.404 1.652 18.306) 22.174 4.912 ( -16.034 -14.459 -13.825) 25.637 6.899 ( -10.374 38.640 -1.614) 40.040 10.492 ( 1.649 3.099 0.684) 3.576 11.039 ( -5.368 12.346 -3.266) 13.853 11.456 ( -1.203 3.390 3.282) 4.869 12.446 ( 29.840 -0.682 1.808) 29.902 14.895 ( -10.274 -2.822 -6.899) 12.693 15.777 ( 0.042 -2.818 -3.593) 4.567 17.502 ( -2.050 -11.401 5.578) 12.857======================= Grid point 47 (36/580) =======================q-point: (-0.44 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.984 ( 0.198 -0.561 -0.217) 0.633 2.055 ( 0.448 -0.124 -0.794) 0.920 3.950 ( -7.761 -10.333 -7.618) 15.001 4.743 ( 9.708 1.827 5.391) 11.254 7.010 ( -19.097 34.510 -0.007) 39.442 10.529 ( 0.016 1.158 2.850) 3.076 11.059 ( -5.616 12.235 -0.645) 13.478 11.456 ( -3.238 3.008 0.697) 4.474 12.713 ( 7.882 -16.843 -1.917) 18.695 14.766 ( -0.665 3.984 -5.936) 7.180 15.803 ( 4.095 0.246 5.784) 7.091 17.400 ( 1.526 -9.020 -1.642) 9.294======================= Grid point 48 (37/580) =======================q-point: (-0.39 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.976 ( -0.270 -0.664 -0.478) 0.862 2.056 ( 0.096 -0.290 -0.433) 0.530 3.561 ( -15.778 -10.997 -18.232) 26.501 5.139 ( 23.759 6.019 10.620) 26.712 6.927 ( -27.073 29.074 1.410) 39.752 10.532 ( -2.285 0.202 4.875) 5.388 11.089 ( -5.140 11.842 1.802) 13.035 11.406 ( -5.285 1.849 -1.845) 5.895 12.383 ( -16.301 -26.265 -4.882) 31.295 14.903 ( 10.213 5.821 -5.382) 12.929 15.956 ( 7.069 3.814 15.242) 17.229 17.367 ( 5.976 -7.109 -9.248) 13.106======================= Grid point 49 (38/580) =======================q-point: (-0.33 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.957 ( -0.903 -0.727 -0.693) 1.351 2.050 ( -0.298 -0.438 -0.004) 0.529 3.118 ( -16.967 -8.722 -19.606) 27.356 5.669 ( 24.891 4.778 8.192) 26.636 6.688 ( -29.371 23.468 2.687) 37.692 10.437 ( -12.177 -2.853 6.353) 14.028 11.116 ( -7.358 10.189 5.991) 13.923 11.287 ( -6.385 -3.281 -6.664) 9.795 11.759 ( -20.240 -19.902 -5.216) 28.861 15.134 ( 12.033 3.232 -5.008) 13.428 16.185 ( 6.486 5.238 21.458) 23.021 17.419 ( 11.590 -5.052 -15.424) 19.943======================= Grid point 50 (39/580) =======================q-point: (-0.28 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.924 ( -1.842 -0.807 -0.866) 2.189 2.036 ( -0.853 -0.612 0.610) 1.214 2.676 ( -18.356 -6.816 -18.743) 27.106 5.882 ( -17.620 5.534 3.832) 18.862 6.652 ( 10.984 14.420 4.991) 18.802 9.917 ( -41.257 -14.560 4.134) 43.946 10.961 ( -10.021 -3.131 2.061) 10.699 11.220 ( 0.121 3.004 -2.238) 3.748 11.436 ( -5.997 -1.177 -2.906) 6.768 15.350 ( 11.215 2.007 -2.513) 11.667 16.376 ( 2.819 3.081 19.501) 19.943 17.583 ( 16.835 -2.133 -16.142) 23.421======================= Grid point 51 (40/580) =======================q-point: (-0.22 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.868 ( -3.517 -1.046 -1.101) 3.831 2.010 ( -1.881 -1.030 2.324) 3.162 2.231 ( -19.783 -4.544 -17.053) 26.510 5.400 ( -38.447 4.694 2.514) 38.814 7.178 ( 29.367 6.952 3.788) 30.416 8.862 ( -58.729 -17.376 1.639) 61.268 10.813 ( -7.096 -0.445 1.436) 7.254 11.258 ( 1.484 2.197 0.204) 2.659 11.390 ( -0.367 1.957 -2.011) 2.830 15.554 ( 9.884 2.252 2.106) 10.354 16.457 ( 0.044 -0.283 9.668) 9.672 17.849 ( 18.870 0.390 -11.100) 21.896======================= Grid point 52 (41/580) =======================q-point: (-0.17 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.723 ( -15.148 -3.160 -5.131) 16.302 1.836 ( -12.426 -1.089 -2.416) 12.705 1.971 ( -2.918 0.008 -2.597) 3.906 4.741 ( -40.333 1.385 1.592) 40.388 7.606 ( -64.943 -9.035 -3.316) 65.652 7.761 ( 26.939 0.831 5.879) 27.586 10.688 ( -7.745 0.435 0.746) 7.793 11.320 ( 3.751 0.930 0.238) 3.872 11.419 ( 1.770 1.249 -0.846) 2.325 15.752 ( 8.465 2.509 7.313) 11.464 16.442 ( -1.342 -2.075 -1.780) 3.045 18.158 ( 17.994 1.068 -5.004) 18.707======================= Grid point 53 (42/580) =======================q-point: (-0.11 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.338 ( -21.902 -0.000 0.000) 21.902 1.663 ( -10.532 -0.000 0.000) 10.532 1.902 ( -4.896 -0.000 0.000) 4.896 4.074 ( -36.259 -0.000 0.000) 36.259 6.331 ( -71.993 -0.000 0.000) 71.993 8.258 ( 25.609 0.000 -0.000) 25.609 10.561 ( -7.068 -0.000 0.000) 7.068 11.402 ( 4.726 0.000 -0.000) 4.726 11.462 ( 2.544 0.000 -0.000) 2.544 15.924 ( 7.011 0.000 -0.000) 7.011 16.383 ( -2.200 -0.000 0.000) 2.200 18.452 ( 15.686 0.000 -0.000) 15.686======================= Grid point 58 (43/580) =======================q-point: ( 0.17 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.466 ( -0.000 8.076 25.044) 26.314 1.562 ( -0.000 12.347 3.813) 12.922 2.060 ( -0.000 8.882 27.315) 28.723 3.674 ( 0.000 29.081 -3.596) 29.302 5.637 ( -0.000 74.199 -4.909) 74.361 8.460 ( 0.000 -19.033 -8.686) 20.921 10.409 ( 0.000 4.587 -5.052) 6.824 11.498 ( -0.000 -3.968 4.483) 5.987 11.529 ( -0.000 -3.843 4.504) 5.921 15.274 ( 0.000 26.404 -56.078) 61.983 16.794 ( -0.000 -26.182 26.995) 37.606 18.748 ( -0.000 -15.219 16.607) 22.526======================= Grid point 59 (44/580) =======================q-point: ( 0.22 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.626 ( 3.406 5.617 13.333) 14.863 1.708 ( 3.106 7.820 3.243) 9.017 2.254 ( 1.601 8.718 34.603) 35.721 4.087 ( 12.565 32.903 -3.405) 35.384 6.488 ( 15.030 68.238 -5.955) 70.127 8.162 ( -8.451 -18.740 -7.870) 22.012 10.481 ( 3.865 5.600 -5.578) 8.799 11.449 ( -2.254 -4.322 4.237) 6.458 11.505 ( 0.111 -3.404 4.941) 6.001 15.369 ( 1.032 18.184 -40.885) 44.759 16.596 ( -2.238 -20.004 12.392) 23.637 18.606 ( -3.467 -16.998 17.343) 24.530======================= Grid point 60 (45/580) =======================q-point: ( 0.28 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.764 ( 4.207 3.083 4.122) 6.648 1.832 ( 3.063 4.342 2.130) 5.724 2.504 ( 4.377 8.626 38.603) 39.796 4.716 ( 19.613 36.057 -3.293) 41.178 7.292 ( 10.980 19.155 -16.182) 27.374 7.920 ( 0.157 20.221 2.320) 20.355 10.604 ( 4.804 6.335 -5.818) 9.852 11.373 ( -2.821 -3.526 3.314) 5.601 11.495 ( 0.058 -1.980 5.252) 5.613 15.410 ( 0.176 7.786 -26.497) 27.618 16.403 ( -3.258 -12.011 -1.230) 12.506 18.397 ( -6.010 -18.395 17.810) 26.300======================= Grid point 61 (46/580) =======================q-point: ( 0.33 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.858 ( 3.304 1.360 0.420) 3.598 1.917 ( 2.465 2.366 0.647) 3.477 2.806 ( 7.563 7.551 37.429) 38.925 5.415 ( 18.131 35.914 -3.580) 40.390 7.033 ( -11.991 -20.952 -16.160) 29.050 8.711 ( 26.944 51.627 2.181) 58.276 10.725 ( 3.899 5.467 -5.266) 8.533 11.315 ( -1.902 -0.713 1.900) 2.782 11.501 ( 0.007 -0.035 5.541) 5.541 15.375 ( -0.522 -1.182 -15.131) 15.186 16.230 ( -4.673 -5.217 -11.555) 13.512 18.144 ( -7.204 -19.289 17.786) 27.208======================= Grid point 62 (47/580) =======================q-point: ( 0.39 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.914 ( 2.269 0.376 -0.355) 2.328 1.973 ( 1.878 1.273 -0.408) 2.305 3.134 ( 9.974 5.629 33.137) 35.061 5.865 ( -0.393 8.213 -8.057) 11.512 6.712 ( -2.853 9.869 -10.968) 15.028 9.671 ( 27.798 39.235 0.537) 48.088 10.825 ( 5.176 3.286 -3.957) 7.297 11.312 ( -0.401 3.265 0.941) 3.421 11.532 ( 0.562 2.162 5.394) 5.838 15.288 ( -1.141 -6.072 -7.454) 9.682 16.057 ( -6.342 -1.956 -17.128) 18.369 17.878 ( -6.831 -19.190 16.656) 26.313======================= Grid point 63 (48/580) =======================q-point: ( 0.44 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.946 ( 1.539 -0.200 -0.455) 1.617 2.008 ( 1.369 0.645 -0.834) 1.728 3.459 ( 11.575 3.317 27.510) 30.029 5.531 ( -16.815 -18.866 -14.096) 28.938 7.054 ( 3.386 42.876 -4.562) 43.251 10.336 ( 10.799 19.623 -0.102) 22.399 11.020 ( 12.929 8.117 -5.211) 16.131 11.379 ( 3.619 4.317 4.181) 7.016 11.613 ( 5.335 3.521 3.739) 7.405 15.171 ( -3.336 -6.338 -3.509) 7.976 15.872 ( -6.125 -2.046 -16.933) 18.123 17.632 ( -5.145 -17.659 13.603) 22.877======================= Grid point 64 (49/580) =======================q-point: ( 0.50 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.963 ( 1.032 -0.529 -0.473) 1.253 2.030 ( 0.967 0.264 -0.916) 1.358 3.757 ( 11.760 0.078 20.095) 23.283 5.003 ( -16.570 -15.904 -13.827) 26.808 7.487 ( -6.013 47.106 -2.575) 47.558 10.518 ( 0.199 5.795 1.026) 5.889 11.226 ( -0.895 12.846 -6.437) 14.396 11.512 ( 1.757 3.961 6.254) 7.608 11.912 ( 26.334 -2.836 1.583) 26.533 15.017 ( -7.742 -2.551 -4.176) 9.158 15.732 ( -1.407 -2.951 -9.671) 10.209 17.431 ( -2.834 -15.105 8.424) 17.525======================= Grid point 65 (50/580) =======================q-point: ( 0.56 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.970 ( 0.626 -0.681 -0.491) 1.047 2.043 ( 0.642 0.018 -0.836) 1.055 3.905 ( 1.264 -8.025 3.243) 8.747 4.672 ( -2.037 -3.841 -2.956) 5.257 7.744 ( -17.692 45.350 -0.859) 48.686 10.553 ( -0.330 2.078 2.299) 3.116 11.277 ( -4.893 12.445 -4.251) 14.032 11.557 ( -2.760 4.512 4.471) 6.926 12.267 ( 21.458 -17.376 -0.854) 27.624 14.858 ( -7.349 3.218 -6.795) 10.514 15.730 ( 5.092 -1.125 1.569) 5.445 17.280 ( -0.354 -12.624 1.788) 12.755======================= Grid point 66 (51/580) =======================q-point: (-0.39 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.968 ( 0.211 -0.704 -0.511) 0.895 2.048 ( 0.350 -0.145 -0.651) 0.753 3.656 ( -12.722 -10.859 -11.848) 20.497 4.852 ( 17.466 3.385 7.607) 19.349 7.767 ( -28.561 39.209 0.679) 48.513 10.574 ( -0.313 1.428 3.509) 3.801 11.295 ( -4.998 10.817 -3.331) 12.372 11.540 ( -5.870 4.388 3.730) 8.223 12.231 ( 1.443 -27.904 -3.229) 28.127 14.830 ( 1.644 5.542 -7.707) 9.634 15.893 ( 9.594 3.537 12.014) 15.776 17.175 ( 2.625 -10.965 -5.729) 12.647======================= Grid point 67 (52/580) =======================q-point: (-0.33 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.959 ( -0.313 -0.647 -0.520) 0.887 2.048 ( 0.048 -0.241 -0.384) 0.455 3.270 ( -15.636 -7.807 -13.421) 22.036 5.288 ( 24.803 3.543 6.669) 25.928 7.549 ( -36.226 29.653 1.602) 46.842 10.581 ( -3.283 2.223 4.876) 6.285 11.294 ( -4.119 5.062 -5.132) 8.302 11.443 ( -11.606 1.878 5.110) 12.820 11.823 ( -12.443 -23.070 -4.384) 26.575 14.952 ( 9.103 2.924 -6.835) 11.754 16.178 ( 9.824 7.394 20.209) 23.656 17.125 ( 7.605 -9.854 -13.759) 18.554======================= Grid point 68 (53/580) =======================q-point: (-0.28 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.940 ( -1.043 -0.547 -0.500) 1.279 2.042 ( -0.333 -0.281 -0.066) 0.440 2.883 ( -17.271 -4.980 -11.244) 21.201 5.780 ( 24.157 2.528 4.197) 24.649 7.148 ( -36.095 18.562 1.775) 40.627 10.425 ( -23.924 -1.673 5.237) 24.547 11.032 ( -10.289 -14.743 -5.269) 18.734 11.343 ( -6.046 8.104 3.329) 10.645 11.521 ( -7.038 -2.913 -2.651) 8.065 15.142 ( 12.183 0.927 -4.422) 12.994 16.439 ( 3.082 6.325 21.338) 22.468 17.195 ( 16.465 -6.718 -16.959) 24.573======================= Grid point 69 (54/580) =======================q-point: (-0.22 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.907 ( -2.149 -0.397 -0.398) 2.221 2.030 ( -0.886 -0.254 0.235) 0.951 2.501 ( -19.117 -2.479 -6.915) 20.480 5.993 ( -13.677 2.814 1.612) 14.057 6.892 ( 1.758 6.431 1.518) 6.838 9.692 ( -49.869 -7.421 1.272) 50.434 10.873 ( -1.455 -2.910 -0.666) 3.321 11.323 ( -4.865 4.037 1.696) 6.545 11.418 ( -2.402 -0.183 -1.755) 2.981 15.362 ( 12.970 0.562 -1.428) 13.060 16.520 ( -2.579 1.513 9.649) 10.101 17.459 ( 21.674 -1.609 -8.143) 23.209======================= Grid point 70 (55/580) =======================q-point: (-0.17 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.851 ( -4.325 -0.000 0.000) 4.325 2.007 ( -1.690 -0.000 0.000) 1.690 2.132 ( -20.255 -0.000 0.000) 20.255 5.467 ( -40.083 -0.000 0.000) 40.083 7.260 ( 28.422 0.000 -0.000) 28.422 8.679 ( -60.886 -0.000 0.000) 60.886 10.809 ( -5.259 -0.000 0.000) 5.259 11.291 ( -0.263 -0.000 0.000) 0.263 11.405 ( 0.372 0.000 -0.000) 0.372 15.585 ( 12.132 0.000 -0.000) 12.132 16.482 ( -3.345 -0.000 0.000) 3.345 17.816 ( 20.688 0.000 -0.000) 20.688======================= Grid point 77 (56/580) =======================q-point: ( 0.22 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.680 ( -0.000 4.111 8.397) 9.349 1.763 ( -0.000 6.250 2.995) 6.930 2.436 ( -0.000 8.466 37.202) 38.153 4.289 ( -0.000 32.982 -2.914) 33.110 6.999 ( 0.000 56.103 -10.093) 57.003 8.065 ( 0.000 -7.411 -4.227) 8.531 10.485 ( 0.000 6.232 -6.043) 8.681 11.447 ( -0.000 -3.767 4.818) 6.116 11.469 ( -0.000 -4.940 5.216) 7.183 15.407 ( 0.000 11.721 -33.008) 35.027 16.463 ( -0.000 -14.101 3.956) 14.645 18.509 ( -0.000 -18.827 17.547) 25.736======================= Grid point 78 (57/580) =======================q-point: ( 0.28 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.751 ( 1.965 2.633 3.785) 5.012 1.840 ( 1.631 4.056 2.375) 4.976 2.647 ( 1.948 7.578 37.613) 38.418 4.743 ( 14.395 33.305 -2.645) 36.380 7.253 ( -1.411 -5.405 -17.888) 18.740 8.240 ( 2.603 47.757 3.606) 47.964 10.570 ( 3.926 6.734 -6.364) 10.063 11.389 ( -2.342 -4.164 4.349) 6.460 11.467 ( 1.828 -3.332 5.429) 6.627 15.385 ( -0.223 0.928 -23.037) 23.056 16.349 ( -1.881 -4.699 -5.760) 7.668 18.337 ( -3.184 -20.235 17.702) 27.073======================= Grid point 79 (58/580) =======================q-point: ( 0.33 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.819 ( 2.658 1.360 0.653) 3.056 1.909 ( 1.749 2.392 1.578) 3.357 2.881 ( 4.440 6.003 35.691) 36.463 5.396 ( 21.378 32.207 -2.715) 38.752 6.925 ( -7.357 -23.121 -16.779) 29.499 8.950 ( 11.373 58.198 2.735) 59.362 10.693 ( 4.204 6.011 -5.883) 9.403 11.333 ( -1.104 -2.184 2.804) 3.722 11.493 ( 1.967 -1.325 5.601) 6.082 15.289 ( 0.188 -7.597 -14.707) 16.554 16.257 ( -4.493 2.244 -13.249) 14.169 18.105 ( -5.469 -21.228 17.750) 28.206======================= Grid point 80 (59/580) =======================q-point: ( 0.39 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.873 ( 2.497 0.400 -0.825) 2.660 1.958 ( 1.440 1.386 0.792) 2.150 3.133 ( 6.924 3.833 31.786) 32.756 5.896 ( 2.226 5.554 -7.459) 9.562 6.693 ( 9.735 5.272 -11.309) 15.825 9.736 ( 15.500 48.107 1.817) 50.575 10.777 ( 1.937 2.603 -3.708) 4.927 11.340 ( 1.303 2.495 -0.068) 2.816 11.542 ( 1.988 0.832 5.714) 6.107 15.170 ( 1.531 -11.446 -8.401) 14.281 16.142 ( -7.746 4.765 -17.737) 19.933 17.839 ( -6.219 -21.372 17.253) 28.162======================= Grid point 81 (60/580) =======================q-point: ( 0.44 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.909 ( 2.018 -0.235 -1.232) 2.376 1.993 ( 1.124 0.780 0.157) 1.377 3.385 ( 8.908 1.331 26.479) 27.969 5.580 ( -15.104 -18.730 -13.145) 27.418 7.253 ( 20.233 37.233 -4.956) 42.665 10.409 ( 11.039 33.200 1.276) 35.011 10.823 ( 6.829 -1.507 -1.703) 7.198 11.415 ( 1.794 6.651 -1.869) 7.138 11.610 ( 1.910 2.367 5.232) 6.052 15.075 ( 2.888 -11.087 -3.135) 11.878 15.972 ( -10.411 4.045 -19.307) 22.305 17.577 ( -5.293 -19.980 15.235) 25.677======================= Grid point 82 (61/580) =======================q-point: ( 0.50 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.932 ( 1.532 -0.591 -1.170) 2.016 2.015 ( 0.861 0.396 -0.262) 0.984 3.621 ( 9.896 -1.587 19.781) 22.175 5.084 ( -15.682 -15.835 -12.586) 25.594 7.937 ( 10.083 45.638 -3.403) 46.863 10.634 ( -4.981 9.492 1.622) 10.842 11.119 ( 20.454 3.850 -2.820) 21.004 11.513 ( 2.171 6.921 -0.187) 7.256 11.681 ( 2.563 1.119 3.747) 4.675 15.030 ( 2.003 -6.077 0.230) 6.402 15.764 ( -9.194 1.261 -16.586) 19.006 17.353 ( -3.500 -17.107 10.996) 20.635======================= Grid point 83 (62/580) =======================q-point: ( 0.56 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.945 ( 1.115 -0.720 -0.956) 1.635 2.030 ( 0.642 0.145 -0.468) 0.808 3.783 ( 6.190 -6.175 9.214) 12.702 4.702 ( -9.027 -7.237 -7.042) 13.545 8.452 ( -6.160 49.524 -1.787) 49.938 10.615 ( -3.727 3.073 1.993) 5.226 11.385 ( 6.114 4.177 -5.660) 9.320 11.633 ( 4.421 2.056 4.513) 6.644 11.749 ( 9.746 -9.967 0.775) 13.962 14.997 ( -4.370 2.453 -2.257) 5.496 15.638 ( 0.943 -1.571 -6.529) 6.781 17.176 ( -1.883 -13.926 5.172) 14.974======================= Grid point 84 (63/580) =======================q-point: (-0.39 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.951 ( 0.719 -0.674 -0.707) 1.213 2.038 ( 0.443 -0.014 -0.490) 0.661 3.702 ( -6.702 -9.282 -4.454) 12.285 4.661 ( 8.305 0.724 2.992) 8.857 8.668 ( -24.357 45.498 0.033) 51.607 10.602 ( -0.676 1.580 2.074) 2.694 11.436 ( -2.058 4.597 -5.404) 7.387 11.691 ( -2.184 2.898 5.723) 6.776 11.787 ( 12.837 -24.440 -1.682) 27.658 14.915 ( -6.802 5.534 -6.776) 11.082 15.755 ( 12.027 1.319 5.767) 13.403 17.033 ( -0.676 -11.520 -1.180) 11.600======================= Grid point 85 (64/580) =======================q-point: (-0.33 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.952 ( 0.261 -0.512 -0.468) 0.741 2.043 ( 0.241 -0.093 -0.364) 0.446 3.419 ( -13.040 -6.255 -7.457) 16.272 4.943 ( 19.447 1.833 4.289) 19.998 8.511 ( -37.761 31.360 1.025) 49.096 10.640 ( 0.879 3.887 2.512) 4.710 11.376 ( -4.925 -4.121 -5.140) 8.225 11.624 ( -2.878 -11.164 3.291) 11.989 11.716 ( -1.885 -3.863 -0.427) 4.320 14.875 ( 0.233 3.105 -6.083) 6.834 16.077 ( 16.226 6.331 12.973) 21.718 16.910 ( 0.777 -10.339 -8.009) 13.101======================= Grid point 86 (65/580) =======================q-point: (-0.28 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.947 ( -0.333 -0.284 -0.249) 0.503 2.043 ( -0.003 -0.092 -0.154) 0.180 3.105 ( -15.485 -2.814 -4.922) 16.490 5.362 ( 25.160 1.151 2.249) 25.287 8.026 ( -43.071 13.945 0.825) 45.280 10.708 ( -2.420 8.249 4.049) 9.502 11.068 ( -15.219 -17.287 -4.997) 23.567 11.505 ( -4.329 0.214 1.117) 4.476 11.627 ( -7.458 1.305 0.031) 7.571 14.955 ( 8.032 0.719 -3.073) 8.630 16.480 ( 12.353 9.953 20.247) 25.722 16.818 ( 7.080 -10.851 -17.547) 21.812======================= Grid point 87 (66/580) =======================q-point: (-0.22 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.933 ( -1.115 -0.000 0.000) 1.115 2.039 ( -0.356 -0.000 0.000) 0.356 2.797 ( -17.416 -0.000 0.000) 17.416 5.818 ( 24.283 0.000 -0.000) 24.283 7.358 ( -39.371 -0.000 0.000) 39.371 10.429 ( -37.465 -0.000 0.000) 37.465 10.835 ( 2.375 0.000 -0.000) 2.375 11.452 ( -2.970 -0.000 0.000) 2.970 11.485 ( -8.816 -0.000 0.000) 8.816 15.136 ( 12.341 0.000 -0.000) 12.341 16.610 ( -3.940 -0.000 0.000) 3.940 17.032 ( 23.786 0.000 -0.000) 23.786======================= Grid point 96 (67/580) =======================q-point: ( 0.28 0.28 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.768 ( -0.000 1.897 2.533) 3.164 1.870 ( -0.000 3.235 2.122) 3.869 2.810 ( -0.000 6.024 35.997) 36.497 4.926 ( -0.000 31.239 -2.414) 31.333 7.073 ( 0.000 -22.212 -17.527) 28.294 8.787 ( -0.000 61.063 3.234) 61.148 10.584 ( 0.000 7.421 -6.763) 10.040 11.397 ( -0.000 -5.493 5.869) 8.039 11.414 ( -0.000 -1.943 4.334) 4.750 15.289 ( 0.000 -7.670 -18.386) 19.921 16.339 ( 0.000 3.582 -10.694) 11.278 18.208 ( -0.000 -21.523 17.629) 27.821======================= Grid point 97 (68/580) =======================q-point: ( 0.33 0.28 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.800 ( 1.259 1.077 0.935) 1.903 1.913 ( 0.956 2.177 1.652) 2.896 2.982 ( 1.924 4.027 33.303) 33.601 5.360 ( 15.127 28.860 -2.295) 32.664 6.727 ( -4.195 -26.642 -16.670) 31.706 9.437 ( 3.046 59.236 2.704) 59.376 10.673 ( 3.403 7.540 -6.720) 10.658 11.337 ( -1.553 -3.743 4.632) 6.154 11.450 ( 2.860 -0.849 4.951) 5.780 15.135 ( 0.338 -12.689 -14.531) 19.295 16.338 ( -2.997 7.870 -14.100) 16.424 18.013 ( -3.011 -22.404 17.641) 28.674======================= Grid point 98 (69/580) =======================q-point: ( 0.39 0.28 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.836 ( 1.884 0.317 -0.402) 1.952 1.953 ( 1.109 1.330 1.120) 2.063 3.158 ( 4.102 1.715 29.360) 29.695 5.858 ( 7.133 8.029 -5.764) 12.189 6.455 ( 11.575 -5.751 -12.226) 17.791 10.064 ( 5.194 48.271 2.079) 48.594 10.786 ( 1.894 7.612 -4.828) 9.210 11.321 ( 1.703 -0.441 1.954) 2.629 11.521 ( 3.030 1.518 5.196) 6.204 14.975 ( 1.849 -14.614 -10.659) 18.183 16.293 ( -6.845 9.046 -16.595) 20.101 17.768 ( -4.956 -22.599 17.530) 29.027======================= Grid point 99 (70/580) =======================q-point: ( 0.44 0.28 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.868 ( 2.001 -0.264 -1.156) 2.326 1.984 ( 0.945 0.777 0.617) 1.370 3.334 ( 6.211 -0.691 24.230) 25.023 5.599 ( -12.813 -18.347 -12.127) 25.453 7.066 ( 34.355 26.047 -4.586) 43.356 10.563 ( 8.134 24.588 0.314) 25.901 10.855 ( -4.636 14.396 -0.027) 15.124 11.403 ( 4.993 4.107 -2.155) 6.815 11.611 ( 2.439 3.162 5.181) 6.541 14.859 ( 4.824 -14.183 -6.050) 16.156 16.173 ( -11.130 8.371 -18.041) 22.791 17.508 ( -5.066 -21.272 16.384) 27.324======================= Grid point 100 (71/580) =======================q-point: ( 0.50 0.28 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.893 ( 1.825 -0.594 -1.348) 2.345 2.006 ( 0.742 0.427 0.203) 0.880 3.502 ( 7.693 -2.995 17.964) 19.770 5.153 ( -13.969 -14.817 -10.895) 23.095 7.949 ( 32.836 32.821 -3.478) 46.556 10.753 ( 3.916 -4.201 -0.430) 5.759 11.002 ( -2.870 24.094 2.136) 24.359 11.532 ( 3.957 6.258 -4.038) 8.433 11.686 ( 1.126 2.049 4.678) 5.230 14.839 ( 8.751 -10.345 -1.233) 13.606 15.968 ( -14.440 6.091 -16.972) 23.101 17.277 ( -3.753 -17.847 12.936) 22.360======================= Grid point 101 (72/580) =======================q-point: ( 0.56 0.28 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.912 ( 1.535 -0.671 -1.156) 2.035 2.020 ( 0.574 0.201 -0.079) 0.614 3.637 ( 7.070 -5.166 10.239) 13.473 4.783 ( -11.264 -7.942 -7.161) 15.532 8.798 ( 21.824 40.626 -2.500) 46.185 10.736 ( -2.507 -0.477 1.474) 2.947 11.124 ( 3.070 -2.511 -0.111) 3.968 11.606 ( -0.164 3.166 -4.424) 5.443 11.736 ( 1.416 2.436 4.671) 5.455 14.947 ( 10.234 -2.796 1.861) 10.771 15.717 ( -12.988 2.608 -12.595) 18.279 17.097 ( -2.556 -13.337 7.582) 15.553======================= Grid point 102 (73/580) =======================q-point: ( 0.61 0.28 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.926 ( 1.197 -0.543 -0.767) 1.522 2.030 ( 0.442 0.059 -0.202) 0.489 3.672 ( 0.516 -6.199 1.428) 6.382 4.602 ( -1.538 -1.556 -1.132) 2.463 9.428 ( -3.670 47.883 -0.774) 48.030 10.668 ( -5.661 1.224 1.364) 5.951 11.090 ( 14.670 -29.987 -1.287) 33.408 11.590 ( -2.249 1.807 -3.055) 4.202 11.801 ( 0.035 4.058 3.619) 5.438 15.064 ( -1.700 4.292 -1.364) 4.814 15.589 ( 3.958 -0.665 -2.683) 4.828 16.959 ( -2.304 -9.152 2.265) 9.705======================= Grid point 103 (74/580) =======================q-point: (-0.33 0.28 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.938 ( 0.793 -0.292 -0.343) 0.912 2.036 ( 0.326 -0.010 -0.162) 0.364 3.544 ( -8.317 -3.613 -2.314) 9.358 4.691 ( 11.269 0.476 1.499) 11.378 9.468 ( -36.661 28.347 0.605) 46.346 10.657 ( 1.975 3.989 0.536) 4.483 11.096 ( 18.487 -25.712 -1.425) 31.701 11.555 ( -2.425 0.944 -1.463) 2.986 11.822 ( -2.899 2.803 2.112) 4.552 14.969 ( -8.458 2.445 -3.194) 9.366 15.826 ( 18.842 1.696 3.753) 19.287 16.842 ( -2.888 -5.393 -1.378) 6.271======================= Grid point 104 (75/580) =======================q-point: (-0.28 0.28 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.945 ( 0.285 0.000 -0.000) 0.285 2.040 ( 0.196 0.000 -0.000) 0.196 3.332 ( -12.945 -0.000 0.000) 12.945 4.974 ( 19.909 0.000 -0.000) 19.909 8.871 ( -44.110 -0.000 0.000) 44.110 10.736 ( 2.778 0.000 -0.000) 2.778 11.137 ( -1.020 -0.000 0.000) 1.020 11.531 ( -0.426 -0.000 0.000) 0.426 11.762 ( -5.980 -0.000 0.000) 5.980 14.887 ( -0.718 -0.000 0.000) 0.718 16.215 ( 22.505 0.000 -0.000) 22.505 16.748 ( -3.858 -0.000 0.000) 3.858======================= Grid point 115 (76/580) =======================q-point: ( 0.33 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.800 ( -0.000 0.535 0.697) 0.878 1.929 ( -0.000 1.723 1.417) 2.231 3.091 ( -0.000 1.715 30.248) 30.296 5.489 ( -0.000 25.755 -2.174) 25.847 6.435 ( 0.000 -28.227 -16.098) 32.495 9.998 ( -0.000 53.704 2.665) 53.770 10.697 ( 0.000 7.875 -7.137) 10.628 11.323 ( -0.000 -5.487 6.440) 8.460 11.449 ( -0.000 4.482 3.479) 5.674 14.948 ( 0.000 -14.848 -13.956) 20.377 16.414 ( 0.000 10.036 -14.622) 17.735 17.864 ( -0.000 -23.043 17.589) 28.989======================= Grid point 116 (77/580) =======================q-point: ( 0.39 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.812 ( 0.917 -0.053 0.038) 0.919 1.953 ( 0.640 1.165 1.074) 1.709 3.197 ( 1.796 -0.651 26.164) 26.234 5.812 ( 5.957 11.166 -4.298) 13.366 6.144 ( 7.590 -14.523 -12.647) 20.699 10.468 ( -1.077 35.694 1.523) 35.743 10.813 ( 5.357 12.429 -5.722) 14.695 11.294 ( 0.771 -3.523 5.510) 6.586 11.549 ( 0.647 11.170 3.568) 11.744 14.763 ( 0.992 -15.553 -12.068) 19.710 16.440 ( -3.867 10.563 -15.607) 19.238 17.660 ( -2.788 -23.071 17.607) 29.156======================= Grid point 117 (78/580) =======================q-point: ( 0.44 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.830 ( 1.527 -0.489 -0.652) 1.731 1.978 ( 0.790 0.704 0.709) 1.274 3.299 ( 3.774 -2.665 20.965) 21.468 5.581 ( -9.876 -17.641 -11.160) 23.093 6.646 ( 34.762 17.375 -3.606) 39.030 10.652 ( -0.851 8.897 -1.660) 9.090 11.093 ( 4.986 21.086 0.065) 21.667 11.334 ( 4.590 0.311 1.958) 5.000 11.694 ( -2.359 16.905 3.524) 17.429 14.612 ( 3.604 -15.218 -8.607) 17.851 16.391 ( -8.512 10.304 -16.602) 21.314 17.422 ( -4.118 -21.747 17.058) 27.944======================= Grid point 118 (79/580) =======================q-point: ( 0.50 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.851 ( 1.801 -0.660 -1.008) 2.167 1.998 ( 0.692 0.392 0.374) 0.879 3.401 ( 5.553 -3.916 14.889) 16.366 5.205 ( -11.441 -12.925 -8.954) 19.446 7.508 ( 43.250 18.725 -2.681) 47.206 10.676 ( 0.168 -0.422 -1.133) 1.221 11.330 ( -0.717 16.021 4.926) 16.776 11.467 ( 7.745 3.919 -3.968) 9.544 11.784 ( -7.190 13.513 2.664) 15.537 14.556 ( 8.866 -12.221 -4.109) 15.648 16.244 ( -13.685 8.445 -15.364) 22.241 17.201 ( -3.419 -17.747 14.105) 22.926======================= Grid point 119 (80/580) =======================q-point: ( 0.56 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.873 ( 1.782 -0.573 -0.914) 2.083 2.013 ( 0.551 0.189 0.116) 0.594 3.501 ( 6.361 -4.091 8.436) 11.330 4.885 ( -11.089 -6.794 -5.550) 14.139 8.475 ( 45.654 19.955 -1.989) 49.864 10.661 ( 1.226 -4.191 -0.138) 4.369 11.394 ( -13.121 12.949 3.860) 18.834 11.602 ( 3.066 3.215 -5.396) 6.990 11.743 ( -2.731 1.241 2.949) 4.206 14.667 ( 15.031 -5.969 -0.272) 16.175 15.998 ( -17.258 4.905 -10.728) 20.904 17.040 ( -2.288 -11.454 8.334) 14.348======================= Grid point 120 (81/580) =======================q-point: ( 0.61 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.896 ( 1.573 -0.317 -0.495) 1.679 2.023 ( 0.441 0.062 -0.018) 0.446 3.583 ( 4.723 -2.894 2.664) 6.147 4.663 ( -7.618 -1.989 -1.890) 8.097 9.456 ( 42.538 22.028 -1.088) 47.915 10.634 ( 1.967 -7.776 0.333) 8.027 11.066 ( -28.991 -2.015 0.651) 29.068 11.622 ( 0.002 0.902 -1.827) 2.038 11.803 ( 3.644 1.546 1.545) 4.249 14.927 ( 16.714 -0.465 1.027) 16.752 15.708 ( -15.712 1.433 -4.865) 16.510 16.935 ( -2.236 -5.309 2.836) 6.421======================= Grid point 121 (82/580) =======================q-point: (-0.33 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.918 ( 1.237 0.000 -0.000) 1.237 2.030 ( 0.374 0.000 -0.000) 0.374 3.607 ( -1.098 -0.000 0.000) 1.098 4.587 ( 0.798 0.000 -0.000) 0.798 10.315 ( -34.904 -0.000 0.000) 34.904 10.364 ( 40.463 0.000 -0.000) 40.463 10.688 ( -3.439 -0.000 0.000) 3.439 11.606 ( -2.194 -0.000 0.000) 2.194 11.856 ( 0.821 0.000 -0.000) 0.821 15.110 ( -1.290 -0.000 0.000) 1.290 15.575 ( 5.966 0.000 -0.000) 5.966 16.868 ( -2.893 -0.000 0.000) 2.893======================= Grid point 134 (83/580) =======================q-point: ( 0.39 0.39 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.802 ( -0.000 -0.555 0.118) 0.567 1.961 ( -0.000 0.885 0.862) 1.236 3.236 ( -0.000 -2.869 22.019) 22.205 5.816 ( 0.000 -23.147 -13.354) 26.723 5.919 ( -0.000 18.047 -1.828) 18.140 10.805 ( -0.000 21.698 2.140) 21.803 10.809 ( 0.000 7.313 -6.911) 10.062 11.256 ( -0.000 -5.015 6.532) 8.235 11.760 ( -0.000 27.238 3.206) 27.426 14.560 ( 0.000 -15.753 -11.696) 19.621 16.537 ( 0.000 11.008 -15.505) 19.015 17.506 ( -0.000 -22.794 17.619) 28.810======================= Grid point 135 (84/580) =======================q-point: ( 0.44 0.39 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.801 ( 0.818 -0.850 -0.174) 1.192 1.975 ( 0.493 0.565 0.602) 0.962 3.274 ( 1.766 -4.161 16.730) 17.330 5.516 ( -5.756 -16.444 -10.130) 20.153 6.275 ( 22.044 13.041 -2.100) 25.699 10.775 ( -5.437 5.737 -3.039) 8.469 11.079 ( 9.779 8.784 -1.460) 13.226 11.261 ( 3.609 -3.218 5.703) 7.477 12.044 ( -4.619 31.954 3.202) 32.444 14.383 ( 1.788 -15.426 -9.398) 18.152 16.564 ( -4.426 11.213 -15.922) 19.970 17.314 ( -2.301 -21.307 17.284) 27.532======================= Grid point 136 (85/580) =======================q-point: ( 0.50 0.39 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.812 ( 1.480 -0.751 -0.473) 1.726 1.991 ( 0.643 0.303 0.343) 0.789 3.320 ( 3.638 -3.968 10.727) 12.002 5.236 ( -8.065 -9.990 -6.666) 14.467 6.915 ( 38.052 9.995 -1.650) 39.378 10.718 ( -4.248 1.509 -1.380) 4.714 11.318 ( 10.367 4.779 -1.985) 11.587 11.351 ( 6.745 -0.560 4.044) 7.885 12.200 ( -12.417 24.477 2.205) 27.535 14.283 ( 6.332 -12.363 -5.469) 14.928 16.501 ( -10.104 9.593 -14.109) 19.829 17.123 ( -2.497 -16.711 14.361) 22.175======================= Grid point 137 (86/580) =======================q-point: ( 0.56 0.39 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.834 ( 1.810 -0.392 -0.416) 1.898 2.005 ( 0.586 0.120 0.124) 0.610 3.388 ( 5.143 -2.410 4.846) 7.466 4.997 ( -9.551 -4.152 -3.105) 10.867 7.756 ( 48.335 6.675 -0.941) 48.802 10.657 ( -2.861 -0.560 -0.366) 2.939 11.484 ( 6.501 0.802 2.971) 7.192 11.518 ( 8.729 2.632 -2.219) 9.384 12.081 ( -21.620 9.820 0.608) 23.753 14.352 ( 13.276 -5.409 -1.523) 14.416 16.312 ( -15.770 4.402 -7.162) 17.871 16.997 ( -1.418 -7.898 6.701) 10.454======================= Grid point 138 (87/580) =======================q-point: (-0.39 -0.61 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.864 ( 1.802 0.000 -0.000) 1.802 2.015 ( 0.492 0.000 -0.000) 0.492 3.479 ( 5.766 0.000 -0.000) 5.766 4.803 ( -9.734 -0.000 0.000) 9.734 8.679 ( 52.283 0.000 -0.000) 52.283 10.612 ( -1.580 -0.000 0.000) 1.580 11.566 ( -17.013 -0.000 0.000) 17.013 11.589 ( 3.829 0.000 -0.000) 3.829 11.766 ( -6.018 -0.000 0.000) 6.018 14.606 ( 18.074 0.000 -0.000) 18.074 16.019 ( -18.402 -0.000 0.000) 18.402 16.945 ( -1.540 -0.000 0.000) 1.540======================= Grid point 154 (88/580) =======================q-point: ( 0.44 0.44 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.784 ( 0.000 -0.978 -0.012) 0.979 1.977 ( -0.000 0.372 0.406) 0.551 3.257 ( -0.000 -4.307 11.489) 12.270 5.391 ( 0.000 -12.162 -7.637) 14.361 6.185 ( 0.000 9.226 -1.086) 9.290 10.900 ( 0.000 5.111 -5.177) 7.275 11.017 ( -0.000 3.484 1.037) 3.635 11.203 ( -0.000 -3.674 5.047) 6.243 12.419 ( -0.000 29.870 3.334) 30.056 14.188 ( 0.000 -14.636 -8.023) 16.690 16.671 ( 0.000 11.808 -15.608) 19.571 17.179 ( -0.000 -19.493 16.809) 25.739======================= Grid point 155 (89/580) =======================q-point: ( 0.50 0.44 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.784 ( 0.872 -0.592 -0.090) 1.058 1.985 ( 0.437 0.168 0.194) 0.506 3.263 ( 1.859 -2.638 5.652) 6.508 5.246 ( -4.042 -5.676 -3.734) 7.905 6.449 ( 22.010 4.631 -0.680) 22.503 10.830 ( -6.846 1.647 -1.341) 7.168 11.167 ( 9.868 2.462 -1.740) 10.318 11.234 ( 5.371 -2.041 3.508) 6.732 12.610 ( -7.817 17.633 2.091) 19.401 14.068 ( 3.489 -9.539 -4.308) 11.033 16.695 ( -5.534 9.422 -12.007) 16.234 17.041 ( -1.025 -13.462 12.504) 18.401======================= Grid point 156 (90/580) =======================q-point: (-0.44 -0.56 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.802 ( 1.532 0.000 -0.000) 1.532 1.995 ( 0.602 0.000 -0.000) 0.602 3.306 ( 3.645 0.000 -0.000) 3.645 5.116 ( -7.097 -0.000 0.000) 7.097 7.012 ( 39.054 0.000 -0.000) 39.054 10.728 ( -5.296 -0.000 0.000) 5.296 11.353 ( 8.197 0.000 -0.000) 8.197 11.357 ( 10.385 0.000 -0.000) 10.385 12.486 ( -16.697 -0.000 0.000) 16.697 14.121 ( 8.887 0.000 -0.000) 8.887 16.570 ( -11.888 -0.000 0.000) 11.888 16.980 ( -0.558 -0.000 0.000) 0.558======================= Grid point 175 (91/580) =======================q-point: (-0.50 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 820Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.773 ( -0.000 0.000 0.000) 0.000 1.982 ( -0.000 0.000 0.000) 0.000 3.241 ( -0.000 0.000 0.000) 0.000 5.246 ( -0.000 0.000 0.000) 0.000 6.275 ( -0.000 0.000 0.000) 0.000 10.939 ( -0.000 0.000 0.000) 0.000 11.049 ( -0.000 0.000 0.000) 0.000 11.179 ( -0.000 0.000 0.000) 0.000 12.781 ( -0.000 0.000 0.000) 0.000 13.975 ( -0.000 0.000 0.000) 0.000 16.785 ( -0.000 -0.000 0.000) 0.000 16.989 ( -0.000 0.000 0.000) 0.000======================= Grid point 350 (92/580) =======================q-point: ( 0.06 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 570Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.132 ( -0.000 -0.000 14.659) 14.659 0.132 ( -0.000 -0.000 14.659) 14.659 0.718 ( -0.000 -0.000 79.222) 79.222 2.847 ( 0.000 0.000 -4.373) 4.373 2.847 ( 0.000 0.000 -4.373) 4.373 9.291 ( 0.000 0.000 -8.920) 8.920 10.320 ( 0.000 0.000 -2.633) 2.633 10.320 ( 0.000 0.000 -2.633) 2.633 11.604 ( -0.000 -0.000 2.580) 2.580 11.604 ( -0.000 -0.000 2.580) 2.580 19.063 ( -0.000 -0.000 2.449) 2.449 20.325 ( 0.000 0.000 -1.027) 1.027======================= Grid point 351 (93/580) =======================q-point: ( 0.11 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.667 ( 25.558 14.756 4.663) 29.878 0.844 ( 13.946 8.051 39.107) 42.293 1.232 ( 26.233 15.146 36.257) 47.245 2.904 ( 6.823 3.939 -6.418) 10.162 3.179 ( 31.330 18.088 -4.667) 36.477 9.047 ( -7.399 -4.272 -8.024) 11.721 10.327 ( 1.296 0.749 -3.200) 3.533 11.582 ( -1.611 -0.930 1.432) 2.347 11.598 ( -1.159 -0.669 3.105) 3.382 13.742 ( 93.713 54.105 -170.070) 201.577 18.213 ( -65.574 -37.859 100.761) 126.040 19.108 ( -8.356 -4.824 23.179) 25.107======================= Grid point 352 (94/580) =======================q-point: ( 0.17 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.211 ( 19.327 11.158 4.846) 22.836 1.229 ( 10.590 6.114 42.447) 44.173 1.750 ( 11.498 6.639 21.181) 24.999 3.141 ( 15.863 9.159 -7.790) 19.905 4.250 ( 58.199 33.601 -2.996) 67.270 8.783 ( -12.991 -7.500 -10.950) 18.572 10.362 ( 2.622 1.514 -3.799) 4.858 11.530 ( -3.278 -1.893 1.968) 4.266 11.570 ( -2.170 -1.253 3.648) 4.426 14.692 ( 35.544 20.521 -91.849) 100.602 17.423 ( -30.156 -17.410 55.680) 65.672 18.978 ( -9.165 -5.291 18.123) 20.986======================= Grid point 353 (95/580) =======================q-point: ( 0.22 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.576 ( 11.125 6.423 4.629) 13.655 1.591 ( 11.144 6.434 24.089) 27.311 2.013 ( 6.847 3.953 29.664) 30.700 3.591 ( 24.398 14.086 -7.547) 29.166 5.697 ( 65.025 37.542 -2.249) 75.118 8.378 ( -18.883 -10.902 -12.303) 25.036 10.426 ( 4.001 2.310 -4.507) 6.454 11.447 ( -4.200 -2.425 2.114) 5.291 11.521 ( -3.015 -1.741 4.332) 5.558 15.078 ( 18.564 10.718 -53.752) 57.869 16.992 ( -18.904 -10.914 24.810) 33.046 18.791 ( -11.564 -6.676 18.622) 22.914======================= Grid point 354 (96/580) =======================q-point: ( 0.28 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.778 ( 5.738 3.313 3.591) 7.536 1.842 ( 6.827 3.942 2.571) 8.292 2.322 ( 10.638 6.142 43.456) 45.159 4.190 ( 28.118 16.234 -6.200) 33.054 7.183 ( 62.062 35.832 -4.749) 71.820 7.845 ( -22.907 -13.226 -10.765) 28.558 10.518 ( 5.026 2.902 -5.388) 7.919 11.360 ( -3.559 -2.055 2.247) 4.683 11.460 ( -3.402 -1.964 5.255) 6.561 15.271 ( 9.673 5.584 -32.519) 34.383 16.662 ( -13.944 -8.051 5.788) 17.110 18.562 ( -12.901 -7.449 18.791) 23.980======================= Grid point 355 (97/580) =======================q-point: ( 0.33 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.885 ( 3.055 1.764 2.541) 4.347 1.954 ( 3.465 2.001 -2.116) 4.526 2.737 ( 13.334 7.698 41.838) 44.581 4.822 ( 27.151 15.676 -4.793) 31.715 7.166 ( -27.859 -16.084 -16.517) 36.161 8.599 ( 55.690 32.153 -0.474) 64.307 10.619 ( 5.055 2.918 -6.322) 8.604 11.321 ( 0.385 0.222 2.893) 2.927 11.402 ( -2.928 -1.690 6.280) 7.132 15.339 ( 3.084 1.781 -20.289) 20.599 16.373 ( -11.070 -6.391 -4.879) 13.682 18.313 ( -13.155 -7.595 17.769) 23.376======================= Grid point 356 (98/580) =======================q-point: ( 0.39 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.945 ( 1.676 0.968 1.697) 2.574 2.008 ( 1.969 1.137 -2.184) 3.153 3.173 ( 13.907 8.029 36.305) 39.698 5.396 ( 22.996 13.277 -3.556) 26.791 6.436 ( -30.201 -17.437 -16.904) 38.754 9.716 ( 38.392 22.165 -2.323) 44.392 10.704 ( 3.718 2.147 -6.579) 7.856 11.369 ( -1.464 -0.845 6.618) 6.830 11.463 ( 13.094 7.560 4.470) 15.767 15.290 ( -2.901 -1.675 -14.090) 14.482 16.122 ( -8.661 -5.001 -8.527) 13.143 18.066 ( -12.327 -7.117 15.204) 20.827======================= Grid point 357 (99/580) =======================q-point: ( 0.44 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.978 ( 0.859 0.496 1.012) 1.417 2.038 ( 1.176 0.679 -1.784) 2.242 3.597 ( 13.990 8.077 30.234) 34.279 5.689 ( -29.100 -16.801 -18.081) 38.157 5.850 ( 16.680 9.630 -2.373) 19.406 10.294 ( 13.458 7.770 -1.711) 15.633 10.750 ( 1.904 1.099 -5.151) 5.601 11.372 ( -0.029 -0.017 5.184) 5.184 12.005 ( 30.399 17.551 4.691) 35.413 15.117 ( -8.566 -4.946 -11.959) 15.520 15.930 ( -5.737 -3.312 -6.276) 9.125 17.841 ( -10.237 -5.910 10.947) 16.111======================= Grid point 358 (100/580) =======================q-point: ( 0.50 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.993 ( 0.290 0.168 0.429) 0.545 2.054 ( 0.677 0.391 -1.413) 1.615 3.989 ( 11.803 6.814 21.271) 25.263 5.021 ( -22.012 -12.709 -16.832) 30.486 6.144 ( 8.952 5.168 -1.143) 10.399 10.464 ( 3.488 2.014 0.980) 4.145 10.770 ( 1.047 0.604 -2.386) 2.674 11.386 ( -0.011 -0.006 2.288) 2.288 12.718 ( 26.064 15.048 2.558) 30.205 14.848 ( -10.285 -5.938 -10.374) 15.769 15.828 ( -2.033 -1.174 -0.779) 2.473 17.665 ( -6.871 -3.967 5.091) 9.427======================= Grid point 359 (101/580) =======================q-point: (-0.44 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.995 ( -0.180 -0.104 -0.075) 0.221 2.062 ( 0.296 0.171 -1.105) 1.157 4.043 ( -12.748 -7.360 -10.035) 17.815 4.819 ( 10.312 5.953 7.045) 13.835 6.253 ( 0.496 0.286 0.125) 0.586 10.514 ( 0.601 0.347 3.739) 3.803 10.792 ( 1.153 0.666 0.752) 1.529 11.375 ( -1.211 -0.699 -1.073) 1.762 13.037 ( -2.044 -1.180 -2.350) 3.331 14.703 ( 2.805 1.620 -6.011) 6.828 15.836 ( 2.159 1.246 6.095) 6.585 17.559 ( -2.617 -1.511 -1.880) 3.559======================= Grid point 360 (102/580) =======================q-point: (-0.39 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.984 ( -0.658 -0.380 -0.501) 0.910 2.062 ( -0.049 -0.028 -0.847) 0.849 3.591 ( -18.454 -10.655 -21.390) 30.193 5.291 ( 23.988 13.849 12.348) 30.327 6.167 ( -8.001 -4.619 1.337) 9.335 10.514 ( -2.331 -1.346 6.247) 6.802 10.828 ( 1.184 0.683 3.927) 4.158 11.324 ( -2.295 -1.325 -4.482) 5.207 12.637 ( -27.578 -15.922 -6.086) 32.420 14.911 ( 13.102 7.564 -3.591) 15.549 15.963 ( 5.935 3.427 13.985) 15.574 17.536 ( 2.124 1.226 -9.105) 9.429======================= Grid point 361 (103/580) =======================q-point: (-0.33 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.960 ( -1.254 -0.724 -0.843) 1.676 2.054 ( -0.422 -0.244 -0.661) 0.821 3.103 ( -17.890 -10.329 -22.737) 30.720 5.895 ( -15.822 -9.135 2.377) 18.423 5.942 ( 28.650 16.541 9.843) 34.515 10.385 ( -13.210 -7.627 7.866) 17.162 10.857 ( -0.541 -0.312 6.547) 6.576 11.258 ( -1.312 -0.758 -7.262) 7.419 11.900 ( -30.225 -17.450 -6.434) 35.489 15.191 ( 11.267 6.505 -3.545) 13.484 16.172 ( 6.957 4.017 19.563) 21.148 17.605 ( 7.012 4.049 -14.835) 16.901======================= Grid point 362 (104/580) =======================q-point: (-0.28 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.919 ( -2.134 -1.232 -1.087) 2.693 2.037 ( -0.919 -0.531 -0.696) 1.269 2.619 ( -18.195 -10.505 -21.537) 30.088 5.459 ( -22.219 -12.828 3.147) 25.848 6.654 ( 30.045 17.346 7.152) 35.422 9.791 ( -40.810 -23.562 5.422) 47.435 10.820 ( -4.309 -2.488 5.625) 7.510 11.245 ( 2.183 1.260 -6.370) 6.850 11.393 ( -10.709 -6.183 -2.772) 12.672 15.411 ( 8.463 4.886 -0.959) 9.819 16.371 ( 4.834 2.791 17.619) 18.482 17.771 ( 11.177 6.453 -16.256) 20.756======================= Grid point 363 (105/580) =======================q-point: (-0.22 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.850 ( -3.610 -2.084 -1.197) 4.336 2.004 ( -1.668 -0.963 -3.424) 3.928 2.127 ( -19.166 -11.065 -15.941) 27.274 4.900 ( -26.391 -15.237 3.555) 30.680 7.353 ( 28.017 16.176 3.859) 32.581 8.636 ( -56.979 -32.897 3.514) 65.887 10.707 ( -5.966 -3.444 2.562) 7.350 11.298 ( 0.400 0.231 0.527) 0.700 11.308 ( 4.028 2.326 -3.206) 5.649 15.589 ( 6.536 3.774 5.679) 9.445 16.488 ( 1.982 1.144 6.678) 7.059 18.016 ( 13.473 7.779 -12.613) 20.028======================= Grid point 364 (106/580) =======================q-point: (-0.17 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.622 ( -19.411 -11.207 -15.944) 27.506 1.735 ( -6.360 -3.672 -1.052) 7.419 1.952 ( -3.384 -1.954 1.867) 4.330 4.280 ( -27.376 -15.806 3.438) 31.797 7.194 ( -61.563 -35.544 -3.204) 71.159 8.012 ( 22.195 12.814 7.161) 26.610 10.577 ( -5.460 -3.152 0.574) 6.331 11.352 ( 3.341 1.929 1.431) 4.115 11.397 ( 4.020 2.321 -1.042) 4.758 15.759 ( 5.487 3.168 16.791) 17.946 16.500 ( -0.461 -0.266 -10.732) 10.745 18.305 ( 13.631 7.870 -6.732) 17.119======================= Grid point 365 (107/580) =======================q-point: (-0.11 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.140 ( -18.963 -10.948 -5.222) 22.511 1.530 ( -11.546 -6.666 -0.381) 13.337 1.853 ( -6.004 -3.466 1.744) 7.148 3.684 ( -23.971 -13.839 2.464) 27.788 5.702 ( -64.579 -37.285 -1.817) 74.591 8.512 ( 18.581 10.728 2.526) 21.604 10.465 ( -4.082 -2.357 -0.586) 4.749 11.442 ( 3.741 2.160 1.541) 4.586 11.481 ( 3.225 1.862 0.304) 3.736 15.953 ( 5.492 3.171 25.019) 25.811 16.403 ( -2.736 -1.580 -25.159) 25.356 18.594 ( 11.995 6.925 -1.229) 13.905======================= Grid point 366 (108/580) =======================q-point: (-0.06 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.740 ( -16.218 -9.363 17.374) 25.545 1.176 ( -19.285 -11.134 1.014) 22.292 1.646 ( -13.984 -8.074 3.011) 16.426 3.217 ( -16.146 -9.322 0.422) 18.649 4.257 ( -57.279 -33.070 -2.376) 66.183 8.877 ( 12.525 7.232 -0.618) 14.476 10.385 ( -2.521 -1.455 -1.387) 3.224 11.525 ( 2.889 1.668 1.559) 3.683 11.546 ( 2.133 1.231 1.248) 2.761 15.935 ( -7.566 -4.368 -83.150) 83.607 16.455 ( 8.635 4.985 74.685) 75.348 18.842 ( 8.914 5.146 3.226) 10.786======================= Grid point 369 (109/580) =======================q-point: ( 0.11 0.11 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.695 ( -0.000 28.762 6.527) 29.494 0.935 ( -0.000 23.837 23.491) 33.467 1.370 ( -0.000 20.804 54.353) 58.198 2.905 ( 0.000 9.048 -6.373) 11.067 3.139 ( 0.000 35.298 -7.375) 36.060 9.033 ( 0.000 -7.953 -9.740) 12.574 10.310 ( 0.000 1.202 -4.233) 4.400 11.604 ( -0.000 -1.372 3.292) 3.567 11.615 ( -0.000 -1.097 4.117) 4.260 13.276 ( 0.000 120.163 -148.870) 191.315 18.446 ( -0.000 -73.849 68.998) 101.066 19.188 ( -0.000 -16.435 32.391) 36.322======================= Grid point 370 (110/580) =======================q-point: ( 0.17 0.11 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.112 ( 12.213 21.529 6.059) 25.483 1.264 ( 6.734 9.506 32.974) 34.971 1.771 ( 6.423 12.515 37.630) 40.173 3.058 ( 6.674 15.925 -7.894) 18.986 3.860 ( 32.220 51.864 -5.467) 61.302 8.835 ( -7.693 -10.493 -12.370) 17.953 10.334 ( 2.001 2.380 -4.704) 5.639 11.575 ( -2.705 -1.758 3.296) 4.612 11.595 ( -1.350 -1.757 4.453) 4.974 14.160 ( 29.067 55.539 -100.880) 118.770 17.770 ( -21.490 -43.207 53.394) 71.970 19.089 ( -5.134 -10.067 21.955) 24.693======================= Grid point 371 (111/580) =======================q-point: ( 0.22 0.11 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.499 ( 9.802 12.104 5.927) 16.664 1.555 ( 8.087 5.910 21.920) 24.100 2.066 ( 4.953 6.804 38.796) 39.698 3.425 ( 15.086 24.073 -8.116) 29.546 5.122 ( 49.967 52.994 -3.452) 72.918 8.488 ( -13.309 -14.075 -13.723) 23.739 10.393 ( 2.679 4.233 -5.182) 7.207 11.502 ( -4.078 -2.567 3.169) 5.768 11.561 ( -2.056 -1.983 4.800) 5.586 14.742 ( 19.786 27.912 -63.375) 72.020 17.217 ( -17.278 -25.679 28.640) 42.168 18.934 ( -8.013 -10.724 20.258) 24.282======================= Grid point 372 (112/580) =======================q-point: ( 0.28 0.11 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.733 ( 5.723 5.474 4.925) 9.326 1.777 ( 6.547 3.882 5.844) 9.596 2.365 ( 7.491 6.919 45.953) 47.071 3.988 ( 20.101 29.346 -6.792) 36.212 6.548 ( 55.320 47.195 -3.981) 72.825 8.015 ( -18.148 -16.527 -13.251) 27.894 10.479 ( 3.148 5.751 -5.722) 8.702 11.409 ( -4.205 -2.962 3.068) 5.989 11.515 ( -2.825 -1.546 5.257) 6.165 15.072 ( 11.777 15.453 -39.829) 44.315 16.799 ( -13.150 -17.469 9.959) 24.026 18.723 ( -9.990 -11.722 19.533) 24.875======================= Grid point 373 (113/580) =======================q-point: ( 0.33 0.11 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.859 ( 3.322 2.477 3.075) 5.160 1.904 ( 4.113 2.183 -0.402) 4.674 2.736 ( 10.565 7.352 45.142) 46.941 4.632 ( 20.385 30.583 -5.265) 37.130 7.354 ( -17.314 -16.251 -20.565) 31.413 8.024 ( 48.573 38.282 2.783) 61.907 10.580 ( 3.293 6.577 -6.283) 9.674 11.331 ( -2.191 -2.430 3.236) 4.602 11.469 ( -3.131 -0.356 5.768) 6.573 15.238 ( 5.468 7.811 -25.405) 27.135 16.458 ( -10.316 -12.597 -1.849) 16.386 18.476 ( -10.852 -12.329 18.250) 24.553======================= Grid point 374 (114/580) =======================q-point: ( 0.39 0.11 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.929 ( 1.991 1.095 1.883) 2.951 1.974 ( 2.576 1.259 -1.751) 3.360 3.136 ( 12.127 6.947 39.865) 42.243 5.247 ( 17.127 28.199 -4.151) 33.252 6.699 ( -26.330 -18.643 -18.329) 37.105 9.248 ( 44.854 32.074 -0.480) 55.143 10.682 ( 2.603 7.115 -6.641) 10.075 11.333 ( 3.943 -1.017 4.680) 6.204 11.448 ( -1.334 2.460 5.462) 6.137 15.270 ( -0.273 2.252 -17.391) 17.538 16.175 ( -7.955 -9.174 -7.182) 14.108 18.214 ( -10.673 -12.335 15.919) 22.792======================= Grid point 375 (115/580) =======================q-point: ( 0.44 0.11 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.968 ( 1.191 0.369 1.080) 1.650 2.014 ( 1.655 0.741 -1.868) 2.604 3.531 ( 12.856 6.161 33.509) 36.415 5.677 ( 3.137 4.691 -8.154) 9.916 6.065 ( -19.705 3.586 -13.770) 24.305 10.097 ( 22.496 16.402 -0.749) 27.850 10.767 ( 0.415 8.080 -6.057) 10.106 11.398 ( 0.103 0.435 5.926) 5.943 11.677 ( 22.626 9.955 4.193) 25.073 15.168 ( -6.094 -2.003 -14.206) 15.587 15.960 ( -5.175 -6.415 -6.474) 10.481 17.960 ( -9.455 -11.507 12.274) 19.299======================= Grid point 376 (116/580) =======================q-point: ( 0.50 0.11 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.987 ( 0.633 -0.059 0.481) 0.797 2.038 ( 1.070 0.423 -1.737) 2.084 3.903 ( 12.699 4.767 25.866) 29.207 5.198 ( -21.927 -18.381 -18.681) 34.171 6.225 ( 0.515 27.105 -2.141) 27.194 10.417 ( 6.133 4.818 1.341) 7.913 10.818 ( -2.019 8.130 -3.650) 9.137 11.414 ( -1.050 1.695 3.514) 4.040 12.333 ( 33.156 11.590 2.679) 35.225 14.943 ( -10.492 -4.404 -13.073) 17.331 15.835 ( -1.734 -3.641 -1.696) 4.375 17.737 ( -7.105 -9.778 7.186) 14.061======================= Grid point 377 (117/580) =======================q-point: ( 0.56 0.11 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.993 ( 0.172 -0.328 0.008) 0.370 2.051 ( 0.651 0.204 -1.593) 1.733 4.107 ( -2.679 -5.356 3.113) 6.749 4.758 ( -2.007 -3.614 -3.789) 5.607 6.425 ( -6.442 22.573 -0.547) 23.480 10.514 ( 1.766 1.485 3.834) 4.474 10.850 ( -2.532 7.896 -0.710) 8.323 11.410 ( -2.285 1.619 0.561) 2.856 12.884 ( 17.760 -0.192 -0.737) 17.777 14.708 ( -5.723 -0.927 -10.459) 11.959 15.821 ( 2.133 -0.483 4.755) 5.234 17.567 ( -3.690 -7.499 0.803) 8.396======================= Grid point 378 (118/580) =======================q-point: (-0.39 0.11 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.987 ( -0.291 -0.512 -0.365) 0.693 2.056 ( 0.295 0.036 -1.501) 1.530 3.738 ( -18.022 -11.968 -17.906) 28.083 5.035 ( 21.012 7.737 11.081) 24.983 6.444 ( -14.771 17.926 0.729) 23.239 10.549 ( -0.365 0.024 6.150) 6.160 10.891 ( -2.087 7.849 2.119) 8.394 11.366 ( -3.941 1.048 -2.460) 4.763 12.817 ( -13.184 -17.317 -5.201) 22.378 14.756 ( 9.885 6.445 -7.152) 13.799 15.932 ( 6.082 2.852 12.582) 14.263 17.467 ( 0.648 -5.136 -6.409) 8.238======================= Grid point 379 (119/580) =======================q-point: (-0.33 0.11 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.970 ( -0.849 -0.673 -0.639) 1.258 2.053 ( -0.066 -0.097 -1.567) 1.571 3.251 ( -18.162 -10.253 -19.326) 28.433 5.576 ( 26.745 7.635 8.816) 29.177 6.287 ( -21.448 14.902 1.954) 26.190 10.518 ( -5.604 -2.714 7.948) 10.097 10.943 ( -2.506 7.579 5.167) 9.509 11.283 ( -4.605 0.209 -5.680) 7.315 12.196 ( -28.039 -22.848 -6.515) 36.751 15.021 ( 13.334 6.113 -6.873) 16.199 16.148 ( 7.771 4.787 19.915) 21.907 17.454 ( 6.017 -2.665 -13.289) 14.829======================= Grid point 380 (120/580) =======================q-point: (-0.28 0.11 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.939 ( -1.628 -0.875 -0.813) 2.019 2.041 ( -0.545 -0.199 -2.154) 2.231 2.784 ( -18.382 -9.024 -16.414) 26.245 5.815 ( -18.601 0.740 3.137) 18.878 6.348 ( 20.909 16.998 5.265) 27.456 10.224 ( -27.089 -13.186 7.314) 31.003 10.947 ( -7.471 4.112 6.323) 10.616 11.204 ( -0.272 -0.801 -7.334) 7.383 11.547 ( -17.782 -12.059 -4.252) 21.902 15.272 ( 11.635 4.494 -5.787) 13.750 16.373 ( 5.047 3.432 21.053) 21.920 17.553 ( 12.015 0.399 -16.213) 20.184======================= Grid point 381 (121/580) =======================q-point: (-0.22 0.11 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.887 ( -2.863 -1.246 -0.925) 3.257 2.012 ( -1.645 -0.235 -5.436) 5.684 2.330 ( -19.166 -8.401 -8.356) 22.533 5.350 ( -32.256 -0.479 2.790) 32.380 6.990 ( 30.347 12.555 2.853) 32.966 9.316 ( -52.667 -25.271 3.631) 58.528 10.824 ( -8.399 -0.353 1.821) 8.601 11.229 ( 3.568 0.488 -1.573) 3.930 11.343 ( -2.829 1.433 -0.848) 3.283 15.490 ( 10.118 4.068 -2.125) 11.111 16.494 ( 0.922 0.067 12.248) 12.283 17.778 ( 16.085 3.374 -11.838) 20.255======================= Grid point 382 (122/580) =======================q-point: (-0.17 0.11 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.786 ( -9.357 -4.366 -5.935) 11.909 1.846 ( -12.930 -2.147 -10.267) 16.649 2.016 ( -5.962 -3.273 9.280) 11.505 4.746 ( -35.312 -2.917 2.445) 35.516 7.595 ( 19.586 7.071 -5.162) 21.453 8.063 ( -54.171 -25.031 7.454) 60.138 10.681 ( -7.865 -0.184 -0.283) 7.872 11.302 ( 4.043 0.824 1.302) 4.327 11.372 ( 1.948 3.190 0.143) 3.740 15.701 ( 9.222 4.193 3.391) 10.683 16.486 ( -1.982 -2.514 -1.271) 3.444 18.086 ( 16.810 4.696 -4.417) 18.004======================= Grid point 383 (123/580) =======================q-point: (-0.11 0.11 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.398 ( -20.182 -5.500 1.193) 20.952 1.677 ( -9.365 -1.603 0.085) 9.502 1.931 ( -4.904 -2.036 5.108) 7.368 4.106 ( -33.840 -4.169 1.312) 34.121 6.570 ( -69.036 -22.845 -2.686) 72.767 8.216 ( 24.676 4.847 1.532) 25.195 10.550 ( -6.849 0.320 -1.407) 6.999 11.392 ( 4.490 1.095 1.844) 4.976 11.445 ( 2.978 1.850 1.117) 3.679 15.900 ( 7.468 2.283 -1.630) 7.978 16.396 ( -2.840 -1.664 -3.322) 4.677 18.411 ( 15.397 4.266 1.846) 16.084======================= Grid point 384 (124/580) =======================q-point: (-0.06 0.11 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.047 ( -18.375 -2.683 22.340) 29.050 1.442 ( -16.344 -2.157 1.470) 16.551 1.812 ( -8.822 -2.237 5.391) 10.578 3.528 ( -27.171 -3.583 -0.946) 27.423 5.144 ( -70.498 -14.713 -2.362) 72.056 8.638 ( 19.537 2.143 -2.499) 19.812 10.443 ( -5.145 0.410 -2.130) 5.583 11.484 ( 4.105 0.682 1.894) 4.572 11.512 ( 2.831 0.418 1.878) 3.423 15.809 ( -8.068 -5.694 -59.386) 60.202 16.525 ( 10.286 5.909 46.932) 48.408 18.706 ( 12.724 2.610 6.562) 14.552======================= Grid point 388 (125/580) =======================q-point: ( 0.17 0.17 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.246 ( -0.000 21.092 6.532) 22.081 1.396 ( -0.000 9.023 26.242) 27.750 1.968 ( -0.000 10.347 42.891) 44.122 3.154 ( 0.000 20.277 -7.392) 21.582 4.173 ( -0.000 67.345 -6.165) 67.627 8.750 ( 0.000 -13.090 -13.835) 19.046 10.320 ( 0.000 2.772 -5.300) 5.981 11.584 ( -0.000 -2.977 4.715) 5.576 11.607 ( -0.000 -2.502 4.999) 5.590 14.241 ( 0.000 58.641 -86.302) 104.340 17.620 ( -0.000 -46.301 41.702) 62.312 19.082 ( -0.000 -12.787 21.725) 25.209======================= Grid point 389 (126/580) =======================q-point: ( 0.22 0.17 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.510 ( 6.003 13.804 5.965) 16.192 1.571 ( 3.558 5.419 18.161) 19.284 2.207 ( 2.045 7.637 44.714) 45.408 3.453 ( 9.619 27.661 -7.257) 30.172 5.073 ( 23.753 68.516 -4.724) 72.670 8.486 ( -8.308 -15.712 -14.664) 23.042 10.367 ( 3.092 4.049 -5.729) 7.667 11.544 ( -2.518 -3.601 4.612) 6.370 11.582 ( -1.169 -2.600 5.182) 5.914 14.630 ( 10.138 40.085 -63.094) 75.435 17.218 ( -8.547 -35.246 26.183) 44.731 18.975 ( -3.973 -14.060 20.534) 25.202======================= Grid point 390 (127/580) =======================q-point: ( 0.28 0.17 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.719 ( 4.211 4.827 7.255) 9.679 1.734 ( 5.247 5.267 5.657) 9.342 2.474 ( 4.454 7.120 47.043) 47.787 3.983 ( 16.679 34.476 -6.240) 38.803 6.253 ( 37.110 59.728 -4.804) 70.482 8.079 ( -13.688 -17.098 -13.757) 25.864 10.462 ( 3.900 5.827 -6.108) 9.299 11.460 ( -4.022 -3.750 4.018) 6.811 11.551 ( -1.444 -2.023 5.330) 5.881 14.964 ( 8.869 24.610 -42.925) 50.268 16.812 ( -9.241 -25.240 11.067) 29.068 18.792 ( -6.841 -15.248 19.607) 25.763======================= Grid point 391 (128/580) =======================q-point: ( 0.33 0.17 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.832 ( 3.582 1.838 3.014) 5.029 1.864 ( 3.489 3.220 2.059) 5.176 2.788 ( 7.413 6.695 45.906) 46.980 4.643 ( 18.065 37.866 -5.060) 42.259 7.271 ( 11.442 6.853 -19.711) 23.799 7.809 ( 13.924 24.313 1.517) 28.059 10.575 ( 3.609 7.112 -6.274) 10.147 11.367 ( -3.676 -3.085 3.425) 5.896 11.525 ( -1.784 -0.727 5.496) 5.824 15.170 ( 5.161 13.515 -28.137) 31.639 16.461 ( -8.102 -17.733 -0.629) 19.507 18.556 ( -8.558 -16.159 18.410) 25.948======================= Grid point 392 (129/580) =======================q-point: ( 0.39 0.17 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.904 ( 2.617 0.731 0.873) 2.854 1.942 ( 2.350 1.759 0.371) 2.959 3.133 ( 9.640 5.646 41.398) 42.879 5.298 ( 14.564 36.260 -4.487) 39.332 6.854 ( -19.263 -18.770 -19.439) 33.185 8.855 ( 41.007 41.612 1.388) 58.439 10.690 ( 3.292 7.596 -6.212) 10.350 11.308 ( -0.945 -1.511 3.319) 3.767 11.513 ( -1.615 1.234 5.496) 5.860 15.249 ( 1.017 5.531 -18.304) 19.148 16.170 ( -6.656 -12.208 -7.719) 15.903 18.289 ( -9.084 -16.542 16.507) 25.073======================= Grid point 393 (130/580) =======================q-point: ( 0.44 0.17 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.947 ( 1.783 0.073 0.136) 1.789 1.989 ( 1.644 1.004 -0.603) 2.019 3.478 ( 11.006 4.173 35.299) 37.209 5.707 ( -1.289 7.616 -9.712) 12.409 6.387 ( -12.858 10.774 -13.045) 21.250 9.855 ( 29.708 27.736 0.603) 40.648 10.814 ( 3.614 9.619 -6.438) 12.126 11.353 ( 6.014 0.334 4.985) 7.818 11.546 ( 2.480 3.974 4.346) 6.390 15.207 ( -3.837 0.418 -13.246) 13.797 15.941 ( -4.451 -8.582 -9.214) 13.355 18.015 ( -8.496 -16.074 13.528) 22.662======================= Grid point 394 (131/580) =======================q-point: ( 0.50 0.17 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.970 ( 1.155 -0.329 -0.186) 1.215 2.018 ( 1.159 0.573 -1.106) 1.701 3.806 ( 11.681 2.277 28.149) 30.561 5.310 ( -19.321 -18.898 -18.143) 32.551 6.594 ( -2.789 39.894 -3.573) 40.150 10.365 ( 8.675 10.174 1.706) 13.479 10.945 ( -0.635 12.556 -5.553) 13.744 11.462 ( 0.633 2.593 5.150) 5.800 11.872 ( 28.386 6.439 2.412) 29.207 15.044 ( -9.165 -2.053 -12.276) 15.456 15.798 ( -0.820 -5.894 -4.996) 7.770 17.760 ( -6.908 -14.595 9.193) 18.580======================= Grid point 395 (132/580) =======================q-point: ( 0.56 0.17 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.981 ( 0.659 -0.558 -0.399) 0.951 2.036 ( 0.795 0.311 -1.362) 1.607 4.054 ( 5.996 -3.637 14.467) 16.078 4.790 ( -12.106 -10.586 -12.506) 20.372 6.885 ( -9.693 38.909 -1.435) 40.124 10.510 ( 2.188 3.118 3.354) 5.075 11.011 ( -3.990 12.280 -2.772) 13.206 11.485 ( -2.505 3.541 2.939) 5.240 12.454 ( 29.014 -1.429 -0.084) 29.050 14.808 ( -10.216 -0.864 -11.853) 15.671 15.771 ( 3.235 -2.586 1.996) 4.597 17.543 ( -4.474 -12.459 3.506) 13.695======================= Grid point 396 (133/580) =======================q-point: (-0.39 0.17 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.981 ( 0.204 -0.663 -0.566) 0.895 2.045 ( 0.482 0.146 -1.514) 1.596 3.858 ( -14.746 -12.683 -12.068) 22.889 4.806 ( 14.517 3.485 7.998) 16.937 7.010 ( -18.526 34.791 -0.004) 39.416 10.566 ( 0.761 0.914 4.974) 5.114 11.053 ( -4.263 11.776 -0.583) 12.538 11.464 ( -4.731 3.595 0.985) 6.023 12.689 ( 6.517 -17.304 -3.481) 18.815 14.691 ( 0.389 4.846 -10.087) 11.198 15.875 ( 7.243 1.652 9.908) 12.384 17.378 ( -1.262 -10.380 -3.270) 10.956======================= Grid point 397 (134/580) =======================q-point: (-0.33 0.17 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.971 ( -0.304 -0.695 -0.683) 1.021 2.047 ( 0.157 0.060 -1.705) 1.714 3.407 ( -17.382 -10.101 -15.464) 25.363 5.224 ( 23.660 5.135 8.052) 25.515 6.939 ( -26.592 29.313 1.063) 39.592 10.584 ( -1.446 -0.262 6.402) 6.568 11.101 ( -3.341 10.845 0.933) 11.386 11.395 ( -7.326 2.983 -0.608) 7.933 12.335 ( -17.018 -25.992 -5.523) 31.554 14.836 ( 10.917 5.917 -9.085) 15.386 16.108 ( 9.811 5.485 18.079) 21.288 17.276 ( 3.244 -8.651 -10.800) 14.213======================= Grid point 398 (135/580) =======================q-point: (-0.28 0.17 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.951 ( -0.964 -0.706 -0.749) 1.411 2.041 ( -0.275 0.070 -2.222) 2.240 2.973 ( -17.663 -7.422 -12.082) 22.650 5.728 ( 24.183 4.027 4.857) 24.993 6.708 ( -28.717 23.479 1.631) 37.130 10.500 ( -11.880 -3.512 7.312) 14.385 11.159 ( -2.415 9.444 2.434) 10.047 11.237 ( -12.008 -3.135 -3.152) 12.804 11.713 ( -19.626 -18.794 -4.794) 27.593 15.073 ( 12.963 3.895 -8.154) 15.802 16.386 ( 6.712 5.713 22.625) 24.282 17.274 ( 10.671 -5.961 -16.434) 20.481======================= Grid point 399 (136/580) =======================q-point: (-0.22 0.17 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.917 ( -1.941 -0.747 -0.797) 2.227 2.022 ( -1.104 0.268 -3.878) 4.041 2.568 ( -18.447 -5.680 -4.499) 19.819 5.909 ( -18.383 5.320 2.241) 19.268 6.679 ( 11.700 13.845 1.152) 18.163 9.955 ( -42.560 -16.013 4.113) 45.658 10.960 ( -8.247 -5.124 -2.263) 9.969 11.218 ( -0.588 5.827 1.777) 6.120 11.417 ( -5.510 -1.000 -1.235) 5.735 15.311 ( 12.793 3.194 -5.905) 14.448 16.535 ( -0.298 0.983 14.504) 14.540 17.455 ( 18.485 -0.744 -11.114) 21.582======================= Grid point 400 (137/580) =======================q-point: (-0.17 0.17 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.858 ( -3.961 -0.895 -1.203) 4.235 1.969 ( -4.637 1.035 -9.148) 10.308 2.207 ( -16.663 -4.531 10.053) 19.981 5.417 ( -38.367 4.138 1.255) 38.610 7.186 ( 28.834 6.685 -1.806) 29.654 8.879 ( -58.549 -18.185 2.185) 61.347 10.812 ( -6.741 -0.534 -1.522) 6.931 11.267 ( 1.262 2.259 1.590) 3.037 11.385 ( -0.105 1.968 0.805) 2.128 15.548 ( 12.175 3.099 -3.282) 12.984 16.511 ( -3.323 -2.394 1.394) 4.326 17.791 ( 20.024 2.345 -1.114) 20.192======================= Grid point 401 (138/580) =======================q-point: (-0.11 0.17 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.700 ( -15.015 -0.094 0.705) 15.032 1.818 ( -8.409 0.576 -0.986) 8.486 2.023 ( -6.216 -2.432 12.895) 14.520 4.747 ( -40.309 0.513 -0.093) 40.312 7.537 ( -43.838 -3.090 -10.491) 45.181 7.828 ( 5.650 -5.768 7.467) 10.998 10.681 ( -7.743 0.616 -2.127) 8.053 11.328 ( 3.796 0.377 1.480) 4.091 11.424 ( 1.804 1.173 1.931) 2.892 15.751 ( 9.100 0.568 -7.599) 11.869 16.427 ( -2.353 -0.695 -1.588) 2.922 18.160 ( 18.358 2.384 5.562) 19.330======================= Grid point 402 (139/580) =======================q-point: (-0.06 0.17 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.435 ( -18.171 2.614 19.142) 26.523 1.671 ( -10.354 0.290 1.745) 10.504 1.941 ( -5.840 -1.087 9.800) 11.460 4.063 ( -36.477 -1.080 -2.337) 36.568 6.321 ( -71.825 0.913 -2.162) 71.864 8.239 ( 25.187 -1.303 -4.233) 25.574 10.548 ( -7.055 0.235 -2.769) 7.583 11.409 ( 4.790 -0.658 1.509) 5.065 11.474 ( 2.526 -0.135 2.563) 3.601 15.723 ( -4.051 -4.719 -36.029) 36.562 16.514 ( 8.402 4.645 20.770) 22.881 18.498 ( 15.710 0.751 10.057) 18.668======================= Grid point 407 (140/580) =======================q-point: ( 0.22 0.22 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.605 ( -0.000 11.335 5.605) 12.645 1.638 ( -0.000 3.893 13.450) 14.002 2.403 ( -0.000 7.170 46.787) 47.333 3.628 ( 0.000 30.417 -6.464) 31.097 5.591 ( -0.000 73.977 -4.969) 74.144 8.352 ( 0.000 -17.074 -15.249) 22.892 10.359 ( 0.000 4.491 -5.953) 7.457 11.543 ( -0.000 -4.009 5.251) 6.606 11.574 ( -0.000 -3.873 5.387) 6.634 14.773 ( 0.000 37.610 -53.746) 65.598 16.999 ( -0.000 -34.119 18.693) 38.904 18.917 ( -0.000 -16.205 19.970) 25.718======================= Grid point 408 (141/580) =======================q-point: ( 0.28 0.22 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.721 ( 2.001 2.363 8.123) 8.693 1.744 ( 2.841 6.887 4.501) 8.704 2.630 ( 1.922 6.597 46.857) 47.358 4.047 ( 12.551 34.122 -5.460) 36.765 6.432 ( 14.798 65.919 -6.293) 67.852 8.066 ( -7.890 -14.834 -13.369) 21.472 10.427 ( 3.846 5.512 -6.258) 9.184 11.491 ( -2.648 -4.469 4.800) 7.073 11.553 ( 0.094 -3.368 5.459) 6.415 14.996 ( 3.427 26.847 -40.785) 48.948 16.690 ( -4.070 -26.853 8.679) 28.513 18.774 ( -3.466 -17.715 19.213) 26.363======================= Grid point 409 (142/580) =======================q-point: ( 0.33 0.22 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.799 ( 2.800 1.277 3.647) 4.772 1.856 ( 2.591 3.664 3.053) 5.428 2.886 ( 4.392 5.649 44.988) 45.553 4.680 ( 19.517 36.924 -4.455) 42.002 7.136 ( 7.369 11.894 -18.373) 23.094 7.928 ( 4.018 28.849 -0.393) 29.130 10.549 ( 4.930 6.413 -6.323) 10.267 11.406 ( -3.342 -3.859 3.806) 6.368 11.544 ( 0.055 -1.913 5.400) 5.729 15.159 ( 3.013 14.650 -28.233) 31.950 16.391 ( -5.409 -17.961 -1.254) 18.800 18.562 ( -6.089 -18.840 18.257) 26.932======================= Grid point 410 (143/580) =======================q-point: ( 0.39 0.22 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.863 ( 2.736 0.509 0.845) 2.908 1.929 ( 1.858 1.981 1.789) 3.252 3.163 ( 6.803 4.099 41.068) 41.830 5.379 ( 17.723 36.045 -4.245) 40.390 6.867 ( -11.078 -18.894 -20.306) 29.867 8.732 ( 26.272 51.127 2.537) 57.538 10.675 ( 4.173 6.088 -5.678) 9.312 11.335 ( -2.278 -1.571 2.436) 3.687 11.551 ( 0.020 0.043 5.340) 5.341 15.224 ( 1.739 4.212 -17.707) 18.284 16.136 ( -6.079 -10.043 -9.194) 14.911 18.302 ( -7.545 -19.477 16.851) 26.837======================= Grid point 411 (144/580) =======================q-point: ( 0.44 0.22 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.910 ( 2.264 -0.053 -0.491) 2.317 1.975 ( 1.324 1.120 0.784) 1.903 3.446 ( 8.650 2.106 35.568) 36.666 5.779 ( -3.313 3.708 -10.915) 11.994 6.606 ( 0.280 15.867 -12.253) 20.049 9.682 ( 27.229 39.135 1.883) 47.713 10.785 ( 4.945 4.583 -4.625) 8.176 11.323 ( 0.389 1.841 1.393) 2.341 11.579 ( 0.276 2.143 5.023) 5.468 15.207 ( -0.058 -1.893 -10.267) 10.441 15.918 ( -6.165 -5.447 -13.344) 15.676 18.020 ( -7.700 -19.289 14.607) 25.392======================= Grid point 412 (145/580) =======================q-point: ( 0.50 0.22 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.939 ( 1.713 -0.437 -0.981) 2.021 2.005 ( 0.968 0.644 0.012) 1.163 3.715 ( 9.837 -0.250 28.885) 30.515 5.390 ( -17.459 -18.214 -17.265) 30.572 7.013 ( 4.346 43.878 -4.548) 44.327 10.347 ( 10.709 19.712 2.350) 22.556 10.970 ( 10.864 8.995 -5.564) 15.162 11.413 ( 7.024 3.241 3.053) 8.317 11.646 ( 4.049 3.323 3.557) 6.332 15.121 ( -4.307 -2.653 -7.376) 8.944 15.742 ( -3.268 -4.507 -11.562) 12.832 17.744 ( -6.719 -17.988 11.095) 22.177======================= Grid point 413 (146/580) =======================q-point: ( 0.56 0.22 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.956 ( 1.212 -0.649 -1.098) 1.759 2.023 ( 0.712 0.369 -0.551) 0.973 3.936 ( 8.317 -4.345 19.090) 21.271 4.872 ( -15.272 -13.065 -14.820) 24.971 7.465 ( -5.311 47.411 -2.345) 47.765 10.536 ( 0.404 5.705 2.957) 6.439 11.173 ( 0.244 12.463 -5.012) 13.435 11.563 ( 1.013 4.434 4.870) 6.663 11.920 ( 25.690 -3.399 0.233) 25.915 14.956 ( -9.844 0.241 -9.000) 13.340 15.673 ( 3.296 -3.888 -3.550) 6.212 17.497 ( -5.037 -15.823 6.199) 17.725======================= Grid point 414 (147/580) =======================q-point: ( 0.61 0.22 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.963 ( 0.757 -0.706 -1.071) 1.490 2.034 ( 0.496 0.215 -0.943) 1.087 3.907 ( -7.283 -11.946 -2.876) 14.284 4.665 ( 4.573 -0.580 1.588) 4.876 7.737 ( -17.069 45.666 -0.710) 48.757 10.580 ( 0.142 1.696 3.432) 3.831 11.242 ( -3.792 11.516 -3.112) 12.517 11.596 ( -3.732 5.464 3.979) 7.721 12.253 ( 20.593 -17.680 -2.143) 27.226 14.780 ( -8.045 4.556 -10.165) 13.741 15.763 ( 9.133 -0.450 5.442) 10.641 17.289 ( -3.036 -13.604 0.244) 13.940======================= Grid point 415 (148/580) =======================q-point: (-0.33 0.22 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.962 ( 0.285 -0.647 -0.981) 1.209 2.039 ( 0.265 0.156 -1.238) 1.276 3.552 ( -15.026 -9.694 -10.893) 20.938 4.916 ( 18.291 2.458 6.472) 19.557 7.772 ( -28.133 39.497 0.479) 48.495 10.608 ( 0.454 0.801 3.914) 4.021 11.268 ( -4.222 9.273 -2.244) 10.433 11.574 ( -6.746 5.877 3.461) 9.593 12.198 ( 0.603 -27.608 -3.813) 27.877 14.750 ( 1.835 6.338 -9.584) 11.636 16.009 ( 13.225 4.441 13.218) 19.219 17.119 ( -0.582 -12.103 -6.587) 13.792======================= Grid point 416 (149/580) =======================q-point: (-0.28 0.22 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.953 ( -0.291 -0.520 -0.858) 1.044 2.039 ( -0.046 0.203 -1.607) 1.620 3.172 ( -16.172 -5.775 -8.124) 18.997 5.336 ( 24.517 2.433 3.843) 24.936 7.560 ( -36.006 29.700 0.870) 46.683 10.626 ( -2.199 1.670 4.787) 5.526 11.251 ( -5.214 1.812 -3.950) 6.788 11.488 ( -11.242 4.647 4.466) 12.959 11.784 ( -12.652 -22.356 -3.997) 25.997 14.885 ( 9.497 4.324 -8.038) 13.172 16.362 ( 12.784 7.956 20.386) 25.344 16.995 ( 4.512 -11.356 -14.861) 19.239======================= Grid point 417 (150/580) =======================q-point: (-0.22 0.22 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.935 ( -1.061 -0.346 -0.699) 1.317 2.031 ( -0.573 0.408 -2.375) 2.477 2.825 ( -17.028 -2.973 -1.232) 17.330 5.803 ( 23.914 1.669 0.906) 23.989 7.157 ( -36.031 18.306 0.283) 40.416 10.471 ( -25.189 -2.987 4.959) 25.846 10.979 ( -8.208 -13.216 -6.107) 16.714 11.380 ( -6.990 6.885 4.457) 10.776 11.501 ( -6.699 -2.421 -1.734) 7.331 15.096 ( 12.660 2.939 -5.737) 14.207 16.607 ( -0.807 2.533 13.857) 14.110 17.060 ( 19.928 -4.268 -10.791) 23.060======================= Grid point 418 (151/580) =======================q-point: (-0.17 0.22 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.904 ( -2.195 -0.056 -0.441) 2.240 2.010 ( -1.685 0.939 -4.070) 4.504 2.513 ( -17.755 -1.135 9.110) 19.988 5.998 ( -13.523 2.002 -0.432) 13.677 6.889 ( 1.404 6.160 -2.187) 6.685 9.702 ( -50.169 -8.538 1.078) 50.902 10.861 ( -0.930 -1.883 -1.994) 2.896 11.337 ( -5.581 2.809 1.140) 6.351 11.416 ( -1.729 0.338 1.411) 2.258 15.339 ( 13.316 2.484 -3.598) 14.016 16.547 ( -3.956 -3.207 -4.072) 6.521 17.442 ( 22.661 2.029 4.670) 23.226======================= Grid point 419 (152/580) =======================q-point: (-0.11 0.22 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.852 ( -4.206 0.706 0.287) 4.275 1.958 ( -4.762 2.182 -5.978) 7.948 2.253 ( -15.908 -0.347 21.756) 26.954 5.461 ( -40.102 -0.857 -1.361) 40.134 7.234 ( 27.832 0.140 -5.754) 28.421 8.683 ( -60.448 -0.990 0.810) 60.461 10.798 ( -5.464 0.355 -2.363) 5.963 11.293 ( 0.018 -0.716 0.533) 0.893 11.418 ( 0.289 0.073 2.867) 2.883 15.562 ( 10.810 0.550 -5.150) 11.987 16.440 ( -1.934 -1.698 -8.685) 9.058 17.865 ( 20.466 1.995 10.295) 22.996======================= Grid point 420 (153/580) =======================q-point: (-0.06 0.22 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.769 ( -8.469 3.241 4.366) 10.064 1.847 ( -9.274 2.820 0.309) 9.698 2.100 ( -9.917 -0.221 25.355) 27.226 4.719 ( -40.611 -2.195 -3.110) 40.789 7.566 ( -47.251 12.387 -11.221) 50.120 7.753 ( 9.076 -4.840 3.147) 10.757 10.669 ( -7.780 -0.351 -3.433) 8.511 11.324 ( 3.875 -1.350 1.098) 4.247 11.438 ( 1.674 -1.280 3.367) 3.972 15.628 ( 0.984 -3.119 -19.372) 19.646 16.456 ( 6.096 2.321 1.196) 6.632 18.245 ( 17.689 0.028 13.570) 22.294======================= Grid point 426 (154/580) =======================q-point: ( 0.28 0.28 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.747 ( -0.000 1.607 6.389) 6.588 1.795 ( -0.000 5.399 3.949) 6.689 2.815 ( -0.000 5.599 45.655) 45.997 4.253 ( 0.000 34.031 -4.828) 34.372 6.903 ( 0.000 49.010 -11.161) 50.265 8.006 ( 0.000 1.419 -8.754) 8.868 10.428 ( 0.000 6.070 -6.336) 8.774 11.491 ( -0.000 -3.986 4.820) 6.255 11.519 ( -0.000 -4.863 5.599) 7.416 15.099 ( 0.000 20.117 -34.219) 39.694 16.495 ( -0.000 -21.235 3.141) 21.466 18.675 ( -0.000 -19.402 18.633) 26.900======================= Grid point 427 (155/580) =======================q-point: ( 0.33 0.28 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.787 ( 1.254 0.952 3.970) 4.271 1.865 ( 1.453 3.392 3.034) 4.777 3.015 ( 1.858 4.172 43.227) 43.468 4.713 ( 14.432 34.087 -4.038) 37.236 7.079 ( -1.825 -6.353 -20.442) 21.484 8.262 ( 3.219 50.327 1.156) 50.443 10.511 ( 4.004 6.628 -6.414) 10.054 11.429 ( -2.779 -4.274 4.293) 6.665 11.516 ( 1.851 -3.369 5.364) 6.599 15.164 ( 1.079 7.998 -25.252) 26.510 16.304 ( -2.826 -11.060 -4.193) 12.161 18.500 ( -3.214 -20.597 17.917) 27.488======================= Grid point 428 (156/580) =======================q-point: ( 0.39 0.28 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.830 ( 1.924 0.378 1.706) 2.599 1.925 ( 1.483 1.939 2.077) 3.205 3.223 ( 4.001 2.234 39.499) 39.764 5.367 ( 21.082 32.525 -3.652) 38.932 6.756 ( -6.862 -21.226 -20.609) 30.370 8.973 ( 11.257 57.933 2.445) 59.068 10.640 ( 4.709 6.298 -5.792) 9.766 11.358 ( -1.982 -2.644 2.786) 4.322 11.542 ( 2.013 -1.277 5.181) 5.703 15.148 ( 1.963 -3.180 -16.332) 16.754 16.147 ( -5.613 -1.773 -10.978) 12.457 18.263 ( -5.640 -21.329 16.942) 27.817======================= Grid point 429 (157/580) =======================q-point: ( 0.44 0.28 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.870 ( 2.065 -0.105 0.081) 2.070 1.968 ( 1.146 1.099 1.261) 2.028 3.434 ( 6.044 -0.125 34.524) 35.050 5.815 ( -1.387 1.292 -10.687) 10.854 6.586 ( 13.432 11.465 -12.270) 21.504 9.754 ( 15.315 47.883 2.294) 50.325 10.743 ( 2.693 3.670 -3.740) 5.891 11.340 ( 0.423 1.319 0.194) 1.399 11.591 ( 1.969 0.919 4.971) 5.425 15.090 ( 3.425 -9.028 -9.043) 13.229 15.992 ( -8.561 2.785 -15.285) 17.739 17.987 ( -6.777 -21.298 15.386) 27.134======================= Grid point 430 (158/580) =======================q-point: ( 0.50 0.28 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.900 ( 1.881 -0.455 -0.849) 2.113 1.996 ( 0.839 0.623 0.600) 1.205 3.634 ( 7.604 -2.762 28.325) 29.458 5.447 ( -15.564 -17.672 -16.290) 28.634 7.207 ( 20.880 38.310 -5.045) 43.921 10.428 ( 11.195 33.203 2.706) 35.144 10.805 ( 6.352 -0.529 -2.236) 6.755 11.398 ( 2.258 5.363 -1.823) 6.098 11.655 ( 1.607 2.385 4.495) 5.336 15.045 ( 4.308 -9.292 -3.531) 10.834 15.809 ( -10.160 3.189 -16.471) 19.613 17.703 ( -6.516 -20.064 12.717) 24.633======================= Grid point 431 (159/580) =======================q-point: ( 0.56 0.28 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.921 ( 1.564 -0.631 -1.247) 2.098 2.015 ( 0.616 0.354 0.072) 0.714 3.802 ( 7.723 -6.013 20.103) 22.359 4.962 ( -15.153 -13.168 -14.300) 24.647 7.907 ( 10.651 45.977 -3.191) 47.302 10.655 ( -5.059 9.171 2.909) 10.870 11.093 ( 18.609 5.354 -2.684) 19.549 11.507 ( 5.036 4.831 -1.211) 7.083 11.715 ( 1.501 1.589 3.579) 4.194 15.025 ( 1.041 -3.846 -1.474) 4.248 15.631 ( -6.038 0.664 -12.708) 14.085 17.442 ( -5.378 -17.626 8.628) 20.348======================= Grid point 432 (160/580) =======================q-point: ( 0.61 0.28 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.935 ( 1.208 -0.624 -1.299) 1.881 2.026 ( 0.453 0.214 -0.332) 0.600 3.853 ( 0.832 -10.251 5.947) 11.880 4.647 ( -5.209 -3.952 -4.940) 8.194 8.437 ( -5.448 49.840 -1.463) 50.158 10.635 ( -3.680 2.682 2.370) 5.133 11.343 ( 5.091 4.972 -3.423) 7.897 11.659 ( 9.965 -3.355 1.275) 10.592 11.759 ( 4.981 -5.520 1.498) 7.585 14.960 ( -7.828 4.482 -5.719) 10.680 15.601 ( 6.907 -1.772 -1.821) 7.359 17.215 ( -4.157 -14.678 3.554) 15.664======================= Grid point 433 (161/580) =======================q-point: (-0.33 0.28 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.943 ( 0.807 -0.471 -1.139) 1.473 2.033 ( 0.305 0.171 -0.626) 0.717 3.657 ( -10.041 -8.730 -5.313) 14.327 4.691 ( 10.472 0.343 3.484) 11.042 8.668 ( -23.869 45.866 0.103) 51.705 10.620 ( -0.328 0.916 1.750) 2.002 11.399 ( -1.908 4.210 -2.603) 5.305 11.732 ( -0.021 -0.352 3.347) 3.365 11.771 ( 10.107 -20.723 -1.741) 23.122 14.848 ( -7.716 6.971 -7.693) 12.935 15.811 ( 15.788 1.169 6.479) 17.106 17.020 ( -3.333 -11.973 -1.615) 12.533======================= Grid point 434 (162/580) =======================q-point: (-0.28 0.28 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.946 ( 0.312 -0.240 -0.870) 0.954 2.037 ( 0.119 0.223 -0.881) 0.916 3.365 ( -13.612 -3.953 -4.409) 14.844 4.973 ( 19.458 0.486 2.448) 19.617 8.518 ( -37.665 31.361 0.501) 49.014 10.660 ( 1.695 3.281 1.748) 4.086 11.341 ( -5.418 -4.637 -2.671) 7.615 11.641 ( 0.526 -17.535 0.757) 17.560 11.718 ( -5.435 3.234 0.660) 6.359 14.821 ( 0.246 5.308 -5.873) 7.920 16.181 ( 20.152 4.168 9.632) 22.721 16.845 ( -3.072 -9.628 -5.967) 11.736======================= Grid point 435 (163/580) =======================q-point: (-0.22 0.28 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.943 ( -0.311 0.023 -0.553) 0.635 2.036 ( -0.186 0.390 -1.261) 1.333 3.089 ( -15.058 -0.314 1.545) 15.141 5.370 ( 24.933 -0.014 -0.601) 24.940 8.029 ( -43.113 13.572 -0.272) 45.200 10.740 ( -0.341 7.500 2.785) 8.008 11.027 ( -17.106 -15.772 -3.933) 23.598 11.520 ( -3.604 -1.576 2.307) 4.560 11.626 ( -8.202 1.948 -0.399) 8.440 14.927 ( 8.052 3.420 -3.094) 9.280 16.620 ( 22.503 -3.389 -4.704) 23.238 16.694 ( -3.157 0.632 5.700) 6.546======================= Grid point 436 (164/580) =======================q-point: (-0.17 0.28 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.932 ( -1.075 0.326 -0.154) 1.134 2.029 ( -0.731 0.710 -1.985) 2.231 2.844 ( -16.235 2.075 10.122) 19.244 5.803 ( 24.281 -0.923 -3.301) 24.522 7.350 ( -39.586 -0.398 -1.624) 39.621 10.423 ( -36.908 -2.922 -1.080) 37.039 10.837 ( 1.710 3.352 0.305) 3.775 11.451 ( -4.673 -3.136 -0.334) 5.638 11.493 ( -6.943 2.123 1.931) 7.513 15.132 ( 12.079 2.556 -0.872) 12.378 16.521 ( -1.125 -7.668 -16.808) 18.509 17.114 ( 21.056 5.978 15.248) 26.675======================= Grid point 437 (165/580) =======================q-point: (-0.11 0.28 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.911 ( -2.005 0.709 0.459) 2.176 2.011 ( -1.703 1.275 -3.106) 3.765 2.629 ( -16.913 3.653 20.414) 26.760 5.969 ( -12.752 -3.506 -3.635) 13.716 6.862 ( 0.559 -6.742 -5.135) 8.493 9.680 ( -49.258 6.276 -1.204) 49.671 10.872 ( -2.650 3.531 -1.000) 4.526 11.311 ( -4.091 -4.132 -0.931) 5.889 11.444 ( -2.588 0.056 3.770) 4.573 15.363 ( 11.702 1.081 -1.120) 11.805 16.392 ( -0.149 -4.427 -17.503) 18.055 17.571 ( 20.282 3.640 15.462) 25.762======================= Grid point 438 (166/580) =======================q-point: (-0.06 0.28 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.879 ( -3.132 1.176 1.421) 3.635 1.974 ( -3.385 2.202 -3.854) 5.582 2.458 ( -16.226 4.666 31.027) 35.323 5.372 ( -38.571 -5.141 -3.527) 39.071 7.118 ( 28.953 -7.092 -9.382) 31.250 8.851 ( -58.267 16.417 -0.816) 60.541 10.788 ( -7.529 0.007 -3.993) 8.522 11.263 ( 1.611 -1.601 1.321) 2.628 11.419 ( -0.449 -1.995 4.197) 4.669 15.506 ( 5.424 -1.712 -8.531) 10.253 16.354 ( 4.830 -0.659 -12.125) 13.069 17.977 ( 18.239 0.610 16.377) 24.520======================= Grid point 445 (167/580) =======================q-point: ( 0.33 0.33 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.796 ( -0.000 0.537 3.431) 3.473 1.892 ( -0.000 2.658 2.593) 3.713 3.159 ( -0.000 2.257 40.763) 40.826 4.898 ( 0.000 31.890 -3.725) 32.107 6.898 ( 0.000 -20.734 -21.150) 29.618 8.811 ( -0.000 61.339 1.912) 61.368 10.524 ( 0.000 7.211 -6.479) 9.694 11.450 ( -0.000 -5.288 5.825) 7.867 11.451 ( -0.000 -2.197 3.803) 4.392 15.113 ( 0.000 -2.678 -20.137) 20.314 16.251 ( 0.000 -0.964 -8.567) 8.621 18.368 ( -0.000 -21.744 17.452) 27.882======================= Grid point 446 (168/580) =======================q-point: ( 0.39 0.33 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.815 ( 0.834 0.105 2.279) 2.429 1.929 ( 0.855 1.734 1.977) 2.765 3.302 ( 1.638 -0.047 37.230) 37.266 5.335 ( 15.096 29.291 -3.297) 33.116 6.559 ( -3.990 -24.818 -20.510) 32.442 9.458 ( 3.033 59.193 1.972) 59.304 10.615 ( 3.725 7.475 -6.196) 10.399 11.376 ( -2.508 -3.347 4.116) 5.868 11.494 ( 3.249 -1.272 4.645) 5.809 15.001 ( 1.256 -10.207 -14.892) 18.098 16.217 ( -3.556 5.632 -12.318) 14.004 18.171 ( -3.075 -22.413 16.828) 28.195======================= Grid point 447 (169/580) =======================q-point: ( 0.44 0.33 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.839 ( 1.385 -0.300 0.988) 1.728 1.964 ( 0.959 1.019 1.357) 1.949 3.439 ( 3.496 -2.644 32.541) 32.835 5.792 ( 2.691 3.083 -9.165) 10.038 6.340 ( 16.147 1.525 -12.984) 20.776 10.080 ( 5.144 47.700 1.530) 48.001 10.745 ( 3.107 8.539 -4.242) 10.028 11.338 ( -0.044 -0.656 1.849) 1.963 11.566 ( 3.273 1.284 4.573) 5.768 14.882 ( 3.447 -13.419 -9.888) 17.021 16.150 ( -7.614 8.067 -14.841) 18.529 17.920 ( -5.258 -22.405 15.836) 27.936======================= Grid point 448 (170/580) =======================q-point: ( 0.50 0.33 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.862 ( 1.638 -0.584 -0.066) 1.740 1.991 ( 0.779 0.571 0.818) 1.265 3.565 ( 5.260 -5.314 26.646) 27.676 5.475 ( -13.050 -16.880 -15.233) 26.216 7.023 ( 34.697 27.335 -4.710) 44.421 10.563 ( 8.142 21.877 -0.444) 23.347 10.860 ( -3.632 17.973 1.108) 18.369 11.384 ( 3.636 3.275 -1.941) 5.264 11.654 ( 2.503 2.918 4.202) 5.695 14.809 ( 6.773 -13.435 -4.805) 15.794 16.019 ( -11.574 8.272 -15.992) 21.404 17.645 ( -5.946 -21.194 13.938) 26.054======================= Grid point 449 (171/580) =======================q-point: ( 0.56 0.33 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.883 ( 1.642 -0.661 -0.711) 1.907 2.009 ( 0.582 0.311 0.375) 0.759 3.671 ( 6.239 -7.747 19.211) 21.634 5.046 ( -13.609 -12.003 -12.818) 22.217 7.918 ( 32.973 33.399 -3.408) 47.057 10.748 ( 5.155 -3.846 -0.696) 6.470 11.028 ( -4.385 24.286 3.458) 24.920 11.494 ( 3.974 5.509 -4.116) 7.943 11.723 ( 1.243 1.852 3.589) 4.226 14.833 ( 10.426 -9.838 -0.253) 14.337 15.823 ( -14.064 7.149 -14.932) 21.723 17.383 ( -5.317 -18.401 10.538) 21.861======================= Grid point 450 (172/580) =======================q-point: ( 0.61 0.33 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.902 ( 1.481 -0.519 -0.939) 1.829 2.020 ( 0.437 0.177 0.037) 0.473 3.728 ( 4.486 -9.191 9.577) 14.011 4.718 ( -9.745 -4.969 -7.110) 13.046 8.776 ( 22.259 41.018 -2.237) 46.722 10.749 ( -1.614 -1.089 1.207) 2.292 11.127 ( 1.311 -1.826 0.794) 2.384 11.570 ( 0.472 3.161 -3.423) 4.683 11.770 ( 1.483 1.996 3.005) 3.900 14.963 ( 10.100 -2.372 1.673) 10.509 15.612 ( -10.855 4.266 -10.495) 15.690 17.159 ( -4.364 -14.407 5.938) 16.182======================= Grid point 451 (173/580) =======================q-point: ( 0.67 0.33 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.919 ( 1.200 -0.230 -0.843) 1.485 2.028 ( 0.335 0.136 -0.191) 0.409 3.680 ( -2.371 -7.090 0.316) 7.483 4.595 ( 0.560 -0.817 -0.334) 1.045 9.423 ( -2.867 48.285 -0.444) 48.372 10.677 ( -6.026 0.651 0.614) 6.092 11.079 ( 13.993 -29.426 -1.089) 32.602 11.573 ( -1.835 2.264 -0.728) 3.004 11.825 ( 0.185 3.177 1.595) 3.560 15.046 ( -5.095 5.618 -2.617) 8.023 15.573 ( 8.969 -0.377 -0.794) 9.012 16.976 ( -3.916 -9.895 1.616) 10.764======================= Grid point 452 (174/580) =======================q-point: (-0.28 0.33 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.934 ( 0.797 0.087 -0.581) 0.990 2.034 ( 0.237 0.183 -0.337) 0.451 3.528 ( -8.894 -1.842 -1.221) 9.165 4.702 ( 11.578 -0.668 0.784) 11.624 9.473 ( -36.713 28.168 0.407) 46.276 10.659 ( 2.506 3.603 -0.253) 4.396 11.082 ( 17.801 -24.513 -1.557) 30.335 11.556 ( -2.118 1.216 1.584) 2.911 11.831 ( -2.849 1.644 -0.136) 3.292 14.943 ( -8.749 5.016 -2.402) 10.367 15.849 ( 20.101 -0.849 1.361) 20.165 16.835 ( -3.922 -4.575 -0.093) 6.027======================= Grid point 453 (175/580) =======================q-point: (-0.22 0.33 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.944 ( 0.281 0.352 -0.293) 0.538 2.038 ( 0.079 0.319 -0.507) 0.604 3.347 ( -12.259 2.481 3.444) 12.973 4.965 ( 19.628 -1.388 -1.915) 19.770 8.867 ( -44.213 -0.504 -0.771) 44.223 10.731 ( 2.597 -1.578 -0.824) 3.148 11.138 ( -0.699 2.825 0.176) 2.916 11.544 ( -0.666 -0.128 2.784) 2.866 11.754 ( -5.798 -1.133 -1.889) 6.203 14.890 ( -0.845 2.902 0.715) 3.106 16.177 ( 19.929 -6.127 -8.006) 22.334 16.779 ( -1.342 4.085 6.377) 7.691======================= Grid point 454 (176/580) =======================q-point: (-0.17 0.33 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.948 ( -0.304 0.562 0.007) 0.639 2.039 ( -0.221 0.543 -0.868) 1.048 3.177 ( -14.185 5.094 10.789) 18.536 5.329 ( 24.994 -2.315 -5.079) 25.610 8.014 ( -43.222 -14.208 -1.828) 45.534 10.671 ( -3.968 -8.602 -3.881) 10.237 11.111 ( -14.148 18.778 4.169) 23.878 11.499 ( -5.191 -3.427 -0.089) 6.221 11.627 ( -6.126 0.435 0.232) 6.146 14.981 ( 7.590 1.733 2.813) 8.278 16.293 ( 9.006 -10.445 -20.825) 24.978 16.973 ( 10.524 9.625 16.579) 21.869======================= Grid point 455 (177/580) =======================q-point: (-0.11 0.33 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.945 ( -0.934 0.742 0.413) 1.262 2.035 ( -0.726 0.854 -1.509) 1.879 3.023 ( -15.410 6.550 19.255) 25.517 5.727 ( 24.429 -3.385 -7.504) 25.779 7.126 ( -36.635 -18.697 -3.070) 41.244 10.380 ( -23.023 0.648 -4.386) 23.446 11.066 ( -12.634 14.585 1.624) 19.364 11.326 ( -4.779 -7.827 -0.065) 9.170 11.548 ( -6.945 3.418 3.246) 8.393 15.174 ( 11.154 0.583 2.545) 11.455 16.239 ( 4.094 -7.034 -22.266) 23.707 17.350 ( 16.106 6.436 17.099) 24.356======================= Grid point 456 (178/580) =======================q-point: (-0.06 0.33 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.933 ( -1.626 0.907 1.008) 2.117 2.021 ( -1.468 1.257 -2.276) 2.985 2.891 ( -15.845 7.354 27.935) 32.947 5.840 ( -15.649 -5.511 -5.427) 17.456 6.590 ( 8.630 -15.092 -8.551) 19.374 9.883 ( -40.086 13.299 -3.295) 42.362 10.927 ( -10.427 0.519 -5.208) 11.666 11.254 ( -0.803 0.616 5.035) 5.136 11.468 ( -5.934 1.106 3.954) 7.216 15.352 ( 8.595 -1.517 -2.269) 9.018 16.200 ( 5.249 -3.218 -18.757) 19.742 17.734 ( 16.686 2.134 16.897) 23.843======================= Grid point 464 (179/580) =======================q-point: ( 0.39 0.39 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.815 ( -0.000 -0.304 2.280) 2.301 1.943 ( -0.000 1.335 1.651) 2.123 3.383 ( -0.000 -2.725 34.150) 34.259 5.465 ( 0.000 26.212 -3.052) 26.389 6.272 ( 0.000 -26.232 -19.836) 32.887 10.017 ( -0.000 53.718 1.413) 53.736 10.636 ( 0.000 7.681 -6.342) 9.961 11.380 ( -0.000 -5.249 6.004) 7.975 11.479 ( -0.000 4.436 3.235) 5.490 14.826 ( 0.000 -13.572 -13.054) 18.831 16.286 ( 0.000 8.896 -13.328) 16.024 18.020 ( -0.000 -22.921 16.533) 28.262======================= Grid point 465 (180/580) =======================q-point: ( 0.44 0.39 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.821 ( 0.602 -0.704 1.750) 1.980 1.964 ( 0.585 0.856 1.239) 1.616 3.450 ( 1.422 -5.506 29.764) 30.302 5.758 ( 1.065 3.762 -8.245) 9.125 6.027 ( 12.662 -4.298 -12.658) 18.413 10.473 ( -1.558 33.756 -0.365) 33.794 10.765 ( 6.443 14.136 -4.865) 16.280 11.343 ( -0.330 -2.978 5.175) 5.980 11.583 ( 0.906 10.939 3.839) 11.629 14.661 ( 1.819 -14.764 -10.185) 18.028 16.303 ( -4.243 9.880 -14.385) 17.960 17.813 ( -2.914 -22.793 15.978) 27.987======================= Grid point 466 (181/580) =======================q-point: ( 0.50 0.39 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.832 ( 1.128 -0.921 0.974) 1.752 1.985 ( 0.706 0.475 0.831) 1.189 3.503 ( 3.097 -7.880 23.963) 25.415 5.467 ( -9.750 -15.594 -14.099) 23.173 6.612 ( 34.848 18.711 -3.693) 39.725 10.634 ( -0.558 8.462 -2.293) 8.785 11.085 ( 7.092 21.287 -2.037) 22.529 11.358 ( 1.804 1.068 3.504) 4.084 11.727 ( -2.364 16.338 3.786) 16.937 14.545 ( 5.050 -14.575 -6.197) 16.623 16.247 ( -8.768 10.144 -15.080) 20.179 17.567 ( -4.691 -21.580 14.732) 26.547======================= Grid point 467 (182/580) =======================q-point: ( 0.56 0.39 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.848 ( 1.486 -0.830 0.299) 1.729 2.002 ( 0.602 0.234 0.472) 0.799 3.546 ( 4.602 -9.134 16.949) 19.795 5.115 ( -11.087 -9.818 -10.863) 18.366 7.483 ( 43.179 19.496 -2.690) 47.453 10.666 ( 0.585 0.006 -1.122) 1.266 11.363 ( 2.175 16.772 0.808) 16.932 11.440 ( 4.093 3.491 -0.328) 5.390 11.808 ( -7.190 12.405 2.564) 14.566 14.529 ( 10.435 -11.738 -1.827) 15.812 16.111 ( -13.245 9.761 -14.024) 21.619 17.319 ( -4.772 -18.578 11.896) 22.570======================= Grid point 468 (183/580) =======================q-point: ( 0.61 0.39 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.869 ( 1.596 -0.465 -0.060) 1.664 2.014 ( 0.473 0.104 0.195) 0.522 3.582 ( 5.123 -8.486 9.318) 13.605 4.831 ( -10.465 -3.801 -6.358) 12.822 8.457 ( 45.611 20.714 -1.951) 50.132 10.661 ( 1.571 -4.076 0.078) 4.369 11.431 ( -15.462 13.312 3.763) 20.747 11.555 ( 4.216 2.982 -4.502) 6.851 11.765 ( -1.917 0.508 1.864) 2.721 14.671 ( 16.034 -6.100 1.183) 17.196 15.904 ( -16.407 8.124 -10.136) 20.926 17.110 ( -3.843 -13.565 7.178) 15.822======================= Grid point 469 (184/580) =======================q-point: ( 0.67 0.39 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.893 ( 1.471 0.002 -0.096) 1.474 2.023 ( 0.389 0.059 0.029) 0.395 3.607 ( 3.532 -5.360 2.678) 6.955 4.646 ( -6.834 -0.201 -1.917) 7.101 9.446 ( 42.617 22.783 -1.134) 48.339 10.639 ( 2.193 -7.980 0.766) 8.312 11.070 ( -29.629 -2.512 0.236) 29.736 11.612 ( 0.582 2.107 -0.514) 2.246 11.812 ( 3.492 0.557 0.415) 3.560 14.938 ( 16.719 -1.345 1.356) 16.828 15.666 ( -14.818 5.212 -4.291) 16.283 16.958 ( -3.142 -7.404 2.333) 8.374======================= Grid point 470 (185/580) =======================q-point: (-0.28 0.39 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.918 ( 1.158 0.390 0.019) 1.222 2.030 ( 0.345 0.095 -0.024) 0.358 3.607 ( -0.987 -0.117 0.011) 0.994 4.587 ( 0.722 0.111 -0.001) 0.730 10.317 ( -34.874 -7.039 0.486) 35.581 10.362 ( 39.987 8.187 -0.352) 40.818 10.685 ( -3.169 -0.725 -0.567) 3.300 11.616 ( -1.919 0.746 2.112) 2.950 11.848 ( 0.646 -1.089 -1.714) 2.131 15.111 ( -1.018 0.694 0.102) 1.236 15.575 ( 5.428 0.998 -0.075) 5.520 16.868 ( -2.706 -0.921 0.004) 2.858======================= Grid point 471 (186/580) =======================q-point: (-0.22 0.39 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.940 ( 0.716 0.618 0.105) 0.952 2.037 ( 0.284 0.213 -0.038) 0.358 3.569 ( -6.726 5.013 3.098) 8.943 4.675 ( 10.313 -1.414 -2.048) 10.609 9.462 ( -36.911 -28.374 -0.769) 46.563 10.650 ( 1.532 -4.474 -0.823) 4.800 11.107 ( 19.076 27.009 0.895) 33.078 11.581 ( -2.546 -0.744 4.143) 4.919 11.794 ( -2.955 -3.934 -4.015) 6.350 15.000 ( -7.949 -0.277 3.553) 8.711 15.783 ( 16.053 -3.332 -5.557) 17.311 16.859 ( -0.787 5.629 2.342) 6.147======================= Grid point 472 (187/580) =======================q-point: (-0.17 0.39 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.955 ( 0.229 0.720 0.157) 0.771 2.043 ( 0.121 0.397 -0.185) 0.454 3.497 ( -11.054 8.077 9.736) 16.799 4.896 ( 18.731 -3.058 -5.918) 19.880 8.499 ( -38.075 -31.212 -1.453) 49.255 10.618 ( 0.117 -4.392 -2.211) 4.918 11.430 ( -4.363 5.608 6.465) 9.607 11.583 ( -5.774 2.275 -5.304) 8.164 11.724 ( 1.243 11.457 1.219) 11.589 14.929 ( 0.060 -1.497 5.591) 5.788 15.953 ( 12.115 -6.680 -14.068) 19.731 16.985 ( 4.595 9.678 8.296) 13.550======================= Grid point 473 (188/580) =======================q-point: (-0.11 0.39 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.963 ( -0.252 0.761 0.314) 0.861 2.047 ( -0.200 0.611 -0.600) 0.879 3.410 ( -13.555 9.247 17.272) 23.824 5.215 ( 24.600 -4.619 -9.392) 26.734 7.531 ( -36.632 -29.469 -2.165) 47.064 10.542 ( -4.135 -2.596 -3.586) 6.057 11.324 ( -6.298 -11.089 -0.499) 12.762 11.414 ( -8.944 3.754 0.666) 9.723 11.861 ( -12.032 23.670 3.921) 26.841 15.005 ( 8.365 -2.331 4.598) 9.826 16.001 ( 7.329 -6.107 -18.659) 20.956 17.243 ( 10.201 8.277 12.240) 17.956======================= Grid point 474 (189/580) =======================q-point: (-0.06 0.39 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.964 ( -0.738 0.779 0.664) 1.262 2.044 ( -0.671 0.829 -1.229) 1.627 3.320 ( -14.708 9.330 24.548) 30.099 5.579 ( 25.574 -5.579 -11.571) 28.619 6.660 ( -30.461 -23.276 -3.415) 38.488 10.388 ( -12.502 2.456 -4.209) 13.418 11.058 ( -9.160 -9.071 -6.554) 14.462 11.349 ( -4.155 1.727 6.940) 8.271 11.804 ( -20.450 20.730 4.835) 29.518 15.159 ( 10.533 -3.477 0.115) 11.093 16.006 ( 6.027 -3.680 -17.752) 19.105 17.551 ( 13.031 3.869 13.725) 19.317======================= Grid point 483 (190/580) =======================q-point: ( 0.44 0.44 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.812 ( -0.000 -1.180 2.096) 2.405 1.970 ( -0.000 0.607 0.989) 1.160 3.453 ( -0.000 -8.309 25.762) 27.069 5.682 ( 0.000 -20.155 -16.292) 25.917 5.900 ( 0.000 18.512 -2.332) 18.658 10.751 ( 0.000 7.332 -5.844) 9.376 10.810 ( -0.000 21.836 -1.072) 21.862 11.313 ( -0.000 -5.013 5.864) 7.715 11.796 ( -0.000 27.247 4.726) 27.653 14.466 ( 0.000 -15.027 -8.923) 17.477 16.400 ( 0.000 10.414 -14.563) 17.904 17.658 ( -0.000 -22.462 15.805) 27.466======================= Grid point 484 (191/580) =======================q-point: ( 0.50 0.44 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.810 ( 0.563 -1.392 1.941) 2.454 1.981 ( 0.467 0.331 0.702) 0.906 3.441 ( 1.399 -10.000 20.145) 22.534 5.413 ( -5.273 -13.284 -12.569) 19.033 6.255 ( 21.753 13.916 -2.270) 25.923 10.745 ( -4.478 6.114 -3.480) 8.340 11.055 ( 9.031 9.042 -3.823) 13.339 11.312 ( 3.390 -3.374 5.539) 7.318 12.080 ( -4.905 31.483 4.823) 32.226 14.313 ( 2.505 -14.584 -6.028) 15.978 16.424 ( -4.448 10.973 -14.912) 19.041 17.461 ( -2.613 -21.170 15.065) 26.114======================= Grid point 485 (192/580) =======================q-point: ( 0.56 0.44 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.817 ( 1.168 -1.105 1.503) 2.201 1.995 ( 0.604 0.115 0.427) 0.749 3.430 ( 3.091 -9.679 13.485) 16.884 5.168 ( -7.738 -6.497 -8.408) 13.144 6.900 ( 37.951 10.761 -1.668) 39.482 10.705 ( -3.770 2.124 -1.475) 4.572 11.276 ( 10.061 4.551 -5.834) 12.489 11.400 ( 6.722 -0.509 5.560) 8.738 12.226 ( -13.016 23.554 3.453) 27.132 14.249 ( 7.363 -11.343 -2.016) 13.673 16.374 ( -9.314 11.286 -13.797) 20.112 17.246 ( -3.714 -18.192 12.739) 22.517======================= Grid point 486 (193/580) =======================q-point: ( 0.61 0.44 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.838 ( 1.574 -0.465 1.117) 1.985 2.007 ( 0.554 -0.016 0.202) 0.590 3.441 ( 4.595 -7.404 6.834) 11.074 4.964 ( -9.285 -0.940 -4.277) 10.266 7.747 ( 48.273 7.503 -0.932) 48.862 10.655 ( -2.641 -0.269 -0.162) 2.660 11.454 ( 8.207 2.230 -5.985) 10.400 11.547 ( 7.137 1.032 4.951) 8.747 12.091 ( -22.067 9.035 1.619) 23.900 14.350 ( 13.772 -4.855 1.178) 14.650 16.238 ( -14.502 9.529 -8.925) 19.513 17.061 ( -2.941 -12.315 7.347) 14.639======================= Grid point 487 (194/580) =======================q-point: (-0.33 -0.56 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.868 ( 1.644 0.174 0.930) 1.897 2.015 ( 0.487 -0.071 0.079) 0.499 3.484 ( 5.510 -3.900 1.185) 6.854 4.800 ( -9.598 2.591 -0.722) 9.968 8.678 ( 52.254 0.970 -0.121) 52.263 10.614 ( -1.527 -0.085 0.433) 1.590 11.526 ( -7.222 -2.038 -5.227) 9.145 11.631 ( -5.730 2.704 5.557) 8.427 11.762 ( -6.179 -1.186 -0.667) 6.327 14.612 ( 17.768 -0.413 1.522) 17.837 16.013 ( -17.886 5.669 -1.369) 18.813 16.948 ( -1.903 -4.344 0.693) 4.793======================= Grid point 488 (195/580) =======================q-point: (-0.28 -0.56 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.902 ( 1.431 0.593 0.823) 1.754 2.023 ( 0.470 -0.051 0.096) 0.482 3.559 ( 5.440 0.141 -2.407) 5.950 4.679 ( -8.065 3.915 1.681) 9.121 9.465 ( 42.512 -21.048 0.885) 47.445 10.633 ( 1.728 7.116 0.139) 7.324 11.060 ( -28.502 1.912 -0.583) 28.572 11.641 ( 0.077 0.363 1.852) 1.889 11.786 ( 3.250 -2.742 -1.772) 4.607 14.920 ( 16.100 -0.492 -0.671) 16.121 15.753 ( -16.099 2.860 4.991) 17.096 16.908 ( -1.438 2.761 -3.058) 4.364======================= Grid point 489 (196/580) =======================q-point: (-0.22 -0.56 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.933 ( 1.042 0.771 0.615) 1.435 2.032 ( 0.477 0.053 0.218) 0.527 3.654 ( 3.349 4.378 -2.451) 6.033 4.615 ( -3.555 2.944 1.819) 4.961 9.436 ( -4.470 -47.431 0.961) 47.651 10.655 ( -5.368 -1.567 -1.342) 5.751 11.101 ( 15.061 30.599 1.120) 34.123 11.625 ( -2.070 -1.325 4.348) 4.995 11.762 ( -0.434 -5.190 -4.798) 7.081 15.069 ( 1.663 -3.938 -0.463) 4.300 15.622 ( -1.521 2.331 4.672) 5.439 16.936 ( -0.385 7.926 -2.740) 8.395======================= Grid point 490 (197/580) =======================q-point: (-0.17 0.44 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.956 ( 0.604 0.786 0.336) 1.047 2.042 ( 0.411 0.227 0.262) 0.538 3.735 ( -1.945 8.396 2.583) 8.997 4.639 ( 4.952 -0.075 -1.768) 5.259 8.668 ( -25.015 -45.071 -0.001) 51.547 10.586 ( -0.990 -1.982 -1.376) 2.608 11.494 ( -2.094 -4.756 7.201) 8.880 11.631 ( -2.785 -3.710 -7.233) 8.593 11.800 ( 13.993 25.365 0.975) 28.986 14.966 ( -5.262 -4.995 4.135) 8.351 15.711 ( 7.102 -0.107 -3.562) 7.946 17.041 ( 2.248 10.488 0.621) 10.744======================= Grid point 491 (198/580) =======================q-point: (-0.11 0.44 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.972 ( 0.210 0.732 0.205) 0.789 2.051 ( 0.184 0.415 0.010) 0.454 3.761 ( -8.456 10.831 11.164) 17.704 4.781 ( 15.127 -3.653 -7.816) 17.414 7.760 ( -29.132 -38.838 -0.824) 48.557 10.549 ( -0.959 -1.717 -1.906) 2.739 11.319 ( -6.700 -12.578 1.271) 14.308 11.514 ( -4.120 -2.623 -1.354) 5.069 12.255 ( 2.421 27.931 2.099) 28.114 14.884 ( 1.441 -5.580 3.984) 7.006 15.797 ( 5.756 -1.531 -8.855) 10.671 17.222 ( 5.699 9.481 4.578) 11.972======================= Grid point 492 (199/580) =======================q-point: (-0.06 0.44 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.980 ( -0.149 0.658 0.330) 0.751 2.055 ( -0.188 0.564 -0.540) 0.803 3.731 ( -12.596 11.005 19.250) 25.502 5.033 ( 22.925 -6.639 -12.733) 27.051 6.914 ( -27.659 -28.726 -1.602) 39.909 10.499 ( -2.980 -0.311 -2.295) 3.774 11.068 ( -6.861 -11.753 -2.841) 13.902 11.428 ( -3.472 -1.858 2.906) 4.894 12.422 ( -15.377 26.331 3.561) 30.700 14.928 ( 9.110 -6.426 -0.302) 11.153 15.839 ( 4.551 -1.408 -10.129) 11.193 17.443 ( 8.536 5.520 7.496) 12.630======================= Grid point 502 (200/580) =======================q-point: ( 0.50 0.50 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.796 ( -0.000 -1.622 2.509) 2.988 1.981 ( -0.000 0.150 0.496) 0.518 3.377 ( -0.000 -10.517 14.975) 18.299 5.314 ( 0.000 -8.222 -9.457) 12.531 6.174 ( 0.000 9.771 -1.322) 9.860 10.855 ( 0.000 6.050 -4.659) 7.636 11.010 ( 0.000 4.105 -2.614) 4.866 11.248 ( -0.000 -4.652 4.907) 6.762 12.457 ( -0.000 28.919 4.910) 29.333 14.133 ( 0.000 -13.277 -3.898) 13.838 16.532 ( 0.000 11.983 -15.087) 19.267 17.322 ( -0.000 -19.804 14.762) 24.700======================= Grid point 503 (201/580) =======================q-point: ( 0.56 0.50 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.795 ( 0.701 -1.218 2.530) 2.894 1.987 ( 0.429 -0.035 0.282) 0.515 3.329 ( 1.659 -8.718 8.900) 12.569 5.206 ( -3.886 -1.819 -5.236) 6.770 6.442 ( 21.953 5.278 -0.774) 22.592 10.816 ( -6.194 2.883 -1.882) 7.086 11.133 ( 8.583 3.229 -5.185) 10.534 11.273 ( 6.075 -3.500 4.437) 8.297 12.635 ( -8.119 15.749 3.271) 18.018 14.049 ( 3.860 -7.334 0.169) 8.290 16.575 ( -4.604 12.976 -14.040) 19.665 17.158 ( -2.051 -17.013 12.894) 21.445======================= Grid point 504 (202/580) =======================q-point: (-0.39 -0.50 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.812 ( 1.361 -0.414 2.249) 2.661 1.996 ( 0.600 -0.176 0.096) 0.633 3.319 ( 3.487 -5.613 2.848) 7.195 5.110 ( -7.062 3.487 -1.391) 7.998 7.012 ( 39.064 0.744 -0.028) 39.071 10.727 ( -5.178 0.669 -0.152) 5.224 11.300 ( 9.142 2.107 -6.657) 11.504 11.400 ( 9.511 -2.361 4.323) 10.711 12.491 ( -16.688 -1.671 1.211) 16.815 14.138 ( 8.633 1.695 3.756) 9.566 16.533 ( -10.583 10.488 -7.564) 16.710 17.009 ( -1.792 -10.159 6.051) 11.959======================= Grid point 505 (203/580) =======================q-point: (-0.33 -0.50 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.845 ( 1.687 0.252 1.964) 2.601 2.004 ( 0.614 -0.254 -0.003) 0.664 3.354 ( 5.238 -2.626 -2.563) 6.395 5.019 ( -9.627 7.235 1.779) 12.173 7.764 ( 48.376 -5.841 0.826) 48.734 10.661 ( -2.946 0.813 0.504) 3.097 11.435 ( 6.811 -0.819 -6.304) 9.317 11.553 ( 8.784 -2.611 3.927) 9.970 12.080 ( -21.434 -10.757 0.434) 23.986 14.377 ( 12.214 5.884 4.061) 14.153 16.362 ( -16.001 3.337 3.492) 16.714 16.946 ( -0.725 0.929 -4.216) 4.378======================= Grid point 506 (204/580) =======================q-point: (-0.28 -0.50 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.885 ( 1.647 0.611 1.671) 2.424 2.012 ( 0.625 -0.261 0.057) 0.680 3.431 ( 6.982 -0.402 -6.947) 9.858 4.931 ( -11.333 9.588 4.396) 15.482 8.493 ( 45.717 -19.109 1.759) 49.582 10.663 ( 0.888 4.133 0.359) 4.243 11.364 ( -10.823 -12.207 -2.792) 16.551 11.649 ( 3.055 -3.544 4.859) 6.745 11.713 ( -4.459 -2.181 -3.601) 6.132 14.676 ( 13.463 5.745 1.630) 14.728 16.095 ( -17.765 -0.427 10.413) 20.597 16.961 ( -0.812 8.159 -8.791) 12.022======================= Grid point 507 (205/580) =======================q-point: (-0.22 -0.50 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.922 ( 1.336 0.742 1.192) 1.939 2.022 ( 0.685 -0.178 0.306) 0.771 3.546 ( 8.687 1.013 -9.897) 13.207 4.845 ( -11.994 10.675 6.481) 17.315 8.820 ( 21.520 -40.124 2.435) 45.596 10.724 ( -3.223 0.060 -1.011) 3.378 11.128 ( 4.298 3.163 0.682) 5.380 11.648 ( -0.335 -2.678 4.420) 5.179 11.688 ( 1.207 -3.575 -5.463) 6.639 14.930 ( 9.318 2.801 -1.883) 9.911 15.837 ( -14.489 0.003 13.772) 19.991 17.023 ( -0.575 11.668 -8.887) 14.678======================= Grid point 508 (206/580) =======================q-point: (-0.17 -0.50 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.952 ( 0.911 0.716 0.552) 1.284 2.035 ( 0.706 0.000 0.577) 0.912 3.691 ( 9.826 1.871 -10.808) 14.726 4.769 ( -11.214 10.343 7.632) 17.058 8.468 ( -6.872 -49.187 1.878) 49.700 10.602 ( -3.796 -3.098 -0.699) 4.949 11.441 ( 8.707 -2.036 6.248) 10.909 11.582 ( -0.123 -5.955 -6.103) 8.528 11.743 ( 12.000 11.318 -0.682) 16.509 15.000 ( -1.678 -1.099 -1.472) 2.488 15.717 ( -4.714 2.383 10.795) 12.018 17.122 ( 0.638 12.738 -6.579) 14.351======================= Grid point 509 (207/580) =======================q-point: (-0.11 -0.50 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.972 ( 0.553 0.608 0.094) 0.827 2.049 ( 0.542 0.205 0.506) 0.769 3.851 ( 8.846 2.823 -8.357) 12.492 4.716 ( -7.671 7.947 6.424) 12.777 7.752 ( -18.384 -44.998 0.893) 48.617 10.541 ( -0.737 -2.066 -0.281) 2.212 11.311 ( -6.527 -13.217 2.804) 15.005 11.522 ( -1.200 -3.737 -2.815) 4.830 12.268 ( 22.288 16.815 -0.645) 27.927 14.896 ( -6.314 -2.170 1.429) 6.827 15.739 ( 0.371 2.379 3.797) 4.496 17.257 ( 2.477 11.304 -3.245) 12.018======================= Grid point 510 (208/580) =======================q-point: (-0.06 0.50 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1467Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.985 ( 0.279 0.483 -0.000) 0.558 2.059 ( 0.199 0.345 0.000) 0.398 3.986 ( 2.856 4.946 -0.000) 5.711 4.717 ( 1.400 2.425 0.000) 2.800 7.010 ( -19.725 -34.165 -0.000) 39.451 10.516 ( -0.591 -1.023 -0.000) 1.182 11.062 ( -6.931 -12.004 -0.000) 13.861 11.453 ( -1.858 -3.218 -0.000) 3.715 12.722 ( 9.315 16.134 -0.000) 18.630 14.793 ( -1.861 -3.223 -0.000) 3.722 15.776 ( 0.862 1.492 0.000) 1.723 17.408 ( 4.322 7.486 -0.000) 8.645======================= Grid point 522 (209/580) =======================q-point: (-0.44 -0.44 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.786 ( -0.000 -0.845 3.001) 3.118 1.982 ( -0.000 -0.204 0.095) 0.225 3.257 ( -0.000 -6.196 3.485) 7.109 5.240 ( 0.000 3.952 -1.428) 4.202 6.274 ( 0.000 0.563 -0.175) 0.590 10.932 ( 0.000 3.162 -1.507) 3.503 11.033 ( 0.000 0.622 -3.569) 3.623 11.187 ( -0.000 -3.224 1.863) 3.724 12.786 ( -0.000 -2.788 1.058) 2.982 13.997 ( -0.000 3.175 4.826) 5.777 16.712 ( 0.000 14.352 -12.977) 19.349 17.053 ( -0.000 -14.390 11.202) 18.236======================= Grid point 523 (210/580) =======================q-point: (-0.39 -0.44 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.797 ( 0.834 -0.207 2.931) 3.054 1.984 ( 0.444 -0.370 -0.080) 0.584 3.227 ( 1.886 -3.421 -2.157) 4.462 5.273 ( -4.199 9.336 2.071) 10.444 6.454 ( 22.125 -4.009 0.506) 22.491 10.838 ( -7.122 -0.268 0.365) 7.136 11.149 ( 8.675 1.370 -5.233) 10.223 11.227 ( 6.968 -2.638 1.443) 7.589 12.598 ( -7.538 -19.258 -0.502) 20.687 14.125 ( 2.902 11.373 8.201) 14.318 16.761 ( -6.068 7.048 -0.821) 9.336 16.963 ( -0.331 -2.900 -1.349) 3.216======================= Grid point 524 (211/580) =======================q-point: (-0.33 -0.44 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.827 ( 1.478 0.204 2.681) 3.068 1.989 ( 0.683 -0.491 -0.187) 0.862 3.238 ( 3.847 -1.737 -7.445) 8.559 5.288 ( -8.285 13.138 4.686) 16.223 6.929 ( 38.178 -9.248 1.424) 39.308 10.729 ( -4.503 -0.914 0.928) 4.688 11.280 ( 7.447 -0.836 -6.587) 9.977 11.361 ( 10.233 -3.424 2.664) 11.114 12.187 ( -12.060 -25.468 -0.648) 28.187 14.346 ( 5.001 13.123 8.330) 16.328 16.625 ( -11.117 -5.070 12.946) 17.801 16.990 ( -0.948 12.567 -14.598) 19.285======================= Grid point 525 (212/580) =======================q-point: (-0.28 -0.44 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.866 ( 1.766 0.370 2.370) 2.979 1.996 ( 0.794 -0.543 -0.125) 0.970 3.279 ( 6.030 -1.301 -12.035) 13.524 5.276 ( -11.563 15.603 6.765) 20.565 7.530 ( 43.343 -17.934 2.323) 46.965 10.686 ( -0.116 0.694 0.862) 1.112 11.286 ( -0.020 -14.148 -4.476) 14.839 11.500 ( 8.573 -4.513 3.185) 10.198 11.761 ( -7.854 -15.444 -2.313) 17.480 14.602 ( 6.916 12.462 5.967) 15.451 16.387 ( -14.134 -6.199 16.150) 22.339 17.065 ( -1.925 16.171 -15.964) 22.805======================= Grid point 526 (213/580) =======================q-point: (-0.22 -0.44 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.907 ( 1.659 0.457 1.789) 2.483 2.006 ( 0.921 -0.502 0.225) 1.073 3.349 ( 8.542 -1.697 -15.697) 17.951 5.242 ( -13.967 17.128 8.624) 23.723 7.979 ( 32.801 -32.172 3.103) 46.049 10.757 ( 2.928 4.327 0.324) 5.234 10.990 ( -1.542 -23.834 -0.701) 23.894 11.565 ( 3.842 -6.784 3.119) 8.398 11.641 ( 1.189 -2.313 -4.897) 5.545 14.854 ( 6.596 10.525 1.980) 12.578 16.128 ( -14.722 -4.466 18.375) 23.965 17.150 ( -2.074 16.954 -15.090) 22.792======================= Grid point 527 (214/580) =======================q-point: (-0.17 -0.44 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.941 ( 1.254 0.455 0.822) 1.567 2.020 ( 1.047 -0.323 0.803) 1.359 3.448 ( 11.249 -2.601 -18.224) 21.573 5.188 ( -15.634 17.867 10.359) 25.903 7.967 ( 9.636 -45.258 3.205) 46.384 10.628 ( -5.006 -9.310 0.401) 10.578 11.139 ( 22.566 -2.621 1.266) 22.753 11.510 ( -1.089 -8.650 -0.746) 8.750 11.651 ( 3.930 -1.130 -2.744) 4.924 15.022 ( 1.401 7.301 -1.454) 7.575 15.926 ( -11.171 -0.747 19.092) 22.132 17.244 ( -1.466 16.340 -13.136) 21.017======================= Grid point 528 (215/580) =======================q-point: (-0.11 -0.44 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.965 ( 0.872 0.336 -0.021) 0.935 2.039 ( 0.946 -0.059 1.018) 1.390 3.577 ( 13.830 -3.871 -19.469) 24.193 5.119 ( -16.743 17.780 11.857) 27.149 7.510 ( -6.668 -46.775 2.505) 47.314 10.519 ( -0.014 -5.501 1.394) 5.675 11.285 ( -2.968 -13.244 6.301) 14.964 11.454 ( 3.876 -3.547 -6.317) 8.217 11.892 ( 26.585 2.138 -2.897) 26.828 15.031 ( -6.316 4.828 -0.926) 8.003 15.846 ( -5.732 2.618 15.213) 16.466 17.346 ( -0.457 14.156 -10.445) 17.599======================= Grid point 541 (216/580) =======================q-point: (-0.39 -0.39 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.798 ( -0.000 0.002 3.038) 3.038 1.974 ( 0.000 -0.591 -0.271) 0.650 3.171 ( 0.000 -1.840 -7.553) 7.774 5.451 ( -0.000 15.732 5.530) 16.676 6.194 ( 0.000 -8.750 0.730) 8.780 10.947 ( -0.000 -3.101 5.014) 5.895 10.992 ( 0.000 -2.897 -4.544) 5.389 11.159 ( 0.000 1.641 -4.528) 4.816 12.398 ( 0.000 -30.686 -1.190) 30.709 14.275 ( -0.000 15.627 11.216) 19.236 16.813 ( -0.000 -10.728 15.722) 19.033 17.019 ( 0.000 18.489 -18.505) 26.159======================= Grid point 542 (217/580) =======================q-point: (-0.33 -0.39 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.815 ( 0.902 -0.030 2.893) 3.031 1.971 ( 0.521 -0.796 -0.420) 1.040 3.140 ( 1.938 -1.665 -12.631) 12.887 5.595 ( -6.205 19.054 7.413) 21.366 6.293 ( 22.396 -12.131 1.692) 25.527 10.795 ( -6.032 -5.471 1.193) 8.231 11.085 ( 9.611 -7.520 0.009) 12.204 11.211 ( 4.650 2.356 -5.209) 7.369 12.024 ( -4.530 -32.642 -1.114) 32.974 14.480 ( 0.992 15.947 11.829) 19.880 16.709 ( -4.139 -11.336 15.941) 19.994 17.151 ( -2.222 21.618 -18.622) 28.619======================= Grid point 543 (218/580) =======================q-point: (-0.28 -0.39 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.845 ( 1.645 -0.166 2.723) 3.185 1.973 ( 0.889 -0.928 -0.421) 1.352 3.127 ( 4.123 -2.631 -17.004) 17.693 5.668 ( -9.799 19.160 8.063) 22.981 6.676 ( 34.649 -15.957 3.069) 38.270 10.661 ( -0.781 -9.790 0.146) 9.822 11.090 ( 2.997 -18.226 -0.333) 18.474 11.319 ( 7.640 -0.842 -1.524) 7.836 11.665 ( -2.943 -18.420 -2.593) 18.833 14.698 ( 2.007 15.484 10.231) 18.668 16.544 ( -7.906 -10.278 17.020) 21.397 17.261 ( -3.864 22.055 -18.486) 29.037======================= Grid point 544 (219/580) =======================q-point: (-0.22 -0.39 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.883 ( 1.986 -0.159 2.302) 3.044 1.981 ( 1.165 -0.959 -0.062) 1.510 3.131 ( 6.767 -4.054 -20.575) 22.035 5.694 ( -12.371 19.431 8.913) 24.699 7.105 ( 34.055 -24.713 3.883) 42.256 10.557 ( 8.346 -26.317 -1.253) 27.637 10.863 ( -5.380 -11.844 1.751) 13.126 11.421 ( 6.290 -4.681 1.714) 8.025 11.562 ( 2.158 -3.607 -5.505) 6.927 14.917 ( 2.640 14.451 6.732) 16.159 16.342 ( -10.385 -8.211 19.000) 23.158 17.351 ( -4.461 21.450 -18.090) 28.412======================= Grid point 545 (220/580) =======================q-point: (-0.17 -0.39 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.921 ( 1.734 -0.072 1.182) 2.099 1.995 ( 1.469 -0.816 0.875) 1.894 3.160 ( 9.778 -5.509 -23.161) 25.737 5.684 ( -14.467 19.495 9.897) 26.217 7.295 ( 19.737 -36.148 4.266) 41.406 10.405 ( 11.758 -33.320 0.247) 35.335 10.835 ( 6.423 2.402 0.839) 6.909 11.431 ( 1.152 -7.522 1.675) 7.792 11.563 ( 2.572 -2.453 -5.145) 6.254 15.101 ( 0.902 12.048 2.494) 12.336 16.155 ( -10.157 -4.299 20.954) 23.679 17.430 ( -4.249 19.946 -17.182) 26.667======================= Grid point 546 (221/580) =======================q-point: (-0.11 -0.39 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.947 ( 1.271 -0.143 -0.135) 1.286 2.020 ( 1.497 -0.454 1.641) 2.267 3.222 ( 12.812 -6.842 -24.503) 28.484 5.644 ( -16.014 19.237 10.818) 27.268 7.093 ( 2.613 -41.893 4.040) 42.168 10.348 ( 11.221 -19.551 2.535) 22.684 11.059 ( 16.333 -6.365 2.934) 17.773 11.343 ( -0.957 -5.907 -3.410) 6.887 11.579 ( 6.230 -3.877 -3.610) 8.178 15.186 ( -3.726 8.810 0.047) 9.565 16.043 ( -7.722 0.604 20.658) 22.063 17.499 ( -3.644 17.324 -15.689) 23.655======================= Grid point 560 (222/580) =======================q-point: (-0.33 -0.33 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.813 ( -0.000 -0.474 2.767) 2.808 1.954 ( 0.000 -1.151 -0.640) 1.317 3.057 ( 0.000 -2.640 -17.397) 17.596 5.922 ( -0.000 25.747 10.065) 27.644 5.933 ( 0.000 -17.689 1.122) 17.724 10.772 ( 0.000 -20.900 -5.024) 21.495 10.875 ( -0.000 -7.287 7.673) 10.582 11.195 ( 0.000 5.017 -6.950) 8.571 11.739 ( 0.000 -27.997 -1.290) 28.027 14.674 ( -0.000 16.095 13.413) 20.951 16.674 ( -0.000 -11.110 14.212) 18.039 17.346 ( 0.000 23.038 -17.344) 28.837======================= Grid point 561 (223/580) =======================q-point: (-0.28 -0.33 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.823 ( 1.093 -0.961 2.630) 3.006 1.945 ( 0.702 -1.455 -0.757) 1.784 2.981 ( 1.976 -4.362 -21.373) 21.903 5.841 ( 8.522 -14.308 2.147) 16.792 6.249 ( 4.967 20.113 10.206) 23.095 10.446 ( -0.381 -36.430 -3.358) 36.586 10.869 ( 4.266 -11.029 6.570) 13.528 11.243 ( 1.957 3.949 -5.826) 7.305 11.520 ( 0.178 -12.278 -2.738) 12.581 14.877 ( 0.140 15.826 12.947) 20.448 16.579 ( -3.222 -10.595 14.411) 18.174 17.501 ( -2.956 23.203 -17.038) 28.938======================= Grid point 562 (224/580) =======================q-point: (-0.22 -0.33 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.848 ( 2.106 -1.182 2.455) 3.444 1.945 ( 1.313 -1.622 -0.546) 2.157 2.913 ( 4.399 -6.268 -24.622) 25.785 5.899 ( 10.196 -11.033 3.280) 15.377 6.556 ( 8.569 10.853 9.823) 16.962 10.043 ( 5.531 -48.332 -2.454) 48.710 10.832 ( 0.627 -7.043 5.267) 8.817 11.302 ( 3.627 0.338 -2.418) 4.372 11.475 ( 2.567 -2.059 -4.942) 5.937 15.072 ( 0.207 15.115 10.594) 18.459 16.443 ( -5.725 -9.358 16.066) 19.454 17.609 ( -5.090 22.735 -17.266) 28.998======================= Grid point 563 (225/580) =======================q-point: (-0.17 -0.33 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.884 ( 2.424 -1.034 1.584) 3.075 1.956 ( 1.923 -1.601 0.543) 2.560 2.865 ( 7.449 -7.977 -27.138) 29.250 5.951 ( 5.047 -8.452 4.838) 10.969 6.786 ( 7.059 -0.596 8.959) 11.421 9.722 ( 16.043 -48.235 -1.286) 50.849 10.810 ( 0.959 -1.791 3.427) 3.984 11.341 ( 2.348 -3.455 0.196) 4.182 11.490 ( 1.968 -0.746 -5.674) 6.051 15.240 ( -0.541 12.886 7.123) 14.733 16.306 ( -6.494 -5.964 18.116) 20.148 17.680 ( -6.134 21.477 -17.477) 28.361======================= Grid point 564 (226/580) =======================q-point: (-0.11 -0.33 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.915 ( 1.902 -0.935 -0.216) 2.131 1.985 ( 2.363 -1.176 2.308) 3.507 2.853 ( 10.957 -9.284 -28.444) 31.864 5.927 ( 1.784 -11.194 5.724) 12.699 6.800 ( -4.960 -5.556 8.415) 11.238 9.672 ( 28.802 -39.397 0.594) 48.806 10.855 ( 5.060 -1.825 2.668) 6.005 11.307 ( -1.190 -4.589 -0.113) 4.742 11.484 ( 0.964 -2.208 -4.986) 5.537 15.340 ( -2.871 9.131 4.135) 10.427 16.223 ( -5.651 -0.709 19.149) 19.978 17.723 ( -6.401 19.179 -17.394) 26.671======================= Grid point 579 (227/580) =======================q-point: (-0.28 -0.28 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.806 ( -0.000 -1.871 2.238) 2.917 1.918 ( 0.000 -2.072 -1.029) 2.313 2.841 ( 0.000 -6.293 -24.843) 25.628 5.504 ( 0.000 -25.414 1.058) 25.436 6.562 ( -0.000 30.092 11.897) 32.358 9.969 ( 0.000 -53.256 -3.579) 53.376 10.763 ( -0.000 -8.119 7.210) 10.858 11.265 ( 0.000 5.757 -6.243) 8.492 11.417 ( 0.000 -5.113 -3.299) 6.085 15.075 ( -0.000 15.376 13.759) 20.634 16.542 ( -0.000 -10.102 12.996) 16.460 17.710 ( 0.000 22.828 -15.946) 27.846======================= Grid point 580 (228/580) =======================q-point: (-0.22 -0.28 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.803 ( 1.592 -2.629 1.821) 3.572 1.900 ( 1.080 -2.570 -1.078) 2.988 2.706 ( 1.978 -8.133 -27.451) 28.699 5.376 ( 15.218 -28.491 1.041) 32.317 6.858 ( -4.340 28.485 12.260) 31.314 9.410 ( 3.251 -59.319 -3.129) 59.490 10.734 ( 3.098 -7.697 6.529) 10.558 11.294 ( -0.614 4.171 -4.711) 6.322 11.407 ( 2.423 0.262 -4.594) 5.201 15.261 ( -0.517 14.138 12.994) 19.210 16.463 ( -2.323 -8.822 12.971) 15.858 17.860 ( -3.192 22.087 -15.687) 27.278======================= Grid point 581 (229/580) =======================q-point: (-0.17 -0.28 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.821 ( 3.154 -2.862 1.283) 4.448 1.899 ( 2.181 -2.818 -0.423) 3.588 2.585 ( 4.439 -9.680 -29.495) 31.358 5.415 ( 21.764 -31.823 1.500) 38.583 7.057 ( -7.856 25.110 12.252) 29.023 8.925 ( 11.879 -58.790 -2.730) 60.040 10.745 ( 3.620 -5.846 5.338) 8.705 11.308 ( -0.090 1.912 -2.685) 3.297 11.444 ( 1.860 1.320 -5.115) 5.600 15.409 ( -1.483 10.993 11.621) 16.065 16.379 ( -3.210 -5.182 13.031) 14.387 17.950 ( -5.719 20.943 -15.859) 26.885======================= Grid point 582 (230/580) =======================q-point: (-0.11 -0.28 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.855 ( 3.250 -2.455 -0.299) 4.084 1.922 ( 3.570 -2.738 2.020) 4.932 2.495 ( 7.760 -10.905 -31.036) 33.799 5.443 ( 18.658 -35.583 2.592) 40.262 7.157 ( -12.965 22.832 11.229) 28.557 8.693 ( 28.080 -52.338 -1.568) 59.416 10.768 ( 3.504 -4.902 4.176) 7.332 11.301 ( -1.354 0.027 -1.210) 1.816 11.454 ( -0.016 0.156 -4.782) 4.784 15.491 ( -2.914 6.327 10.458) 12.566 16.340 ( -2.792 0.490 12.329) 12.651 17.988 ( -7.412 19.066 -16.151) 26.063======================= Grid point 598 (231/580) =======================q-point: (-0.22 -0.22 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.755 ( 0.000 -4.361 0.213) 4.367 1.854 ( 0.000 -3.712 -1.431) 3.978 2.516 ( 0.000 -9.397 -28.707) 30.206 4.940 ( 0.000 -30.736 0.852) 30.748 7.213 ( -0.000 24.496 13.214) 27.833 8.753 ( 0.000 -61.728 -4.169) 61.869 10.643 ( -0.000 -7.633 6.120) 9.784 11.347 ( 0.000 5.665 -5.096) 7.620 11.374 ( 0.000 1.674 -4.325) 4.638 15.439 ( -0.000 11.593 14.556) 18.609 16.437 ( -0.000 -6.760 10.357) 12.368 18.059 ( 0.000 20.938 -14.665) 25.563======================= Grid point 599 (232/580) =======================q-point: (-0.17 -0.22 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.723 ( 2.812 -6.039 -2.020) 6.961 1.823 ( 1.833 -4.609 -1.402) 5.154 2.346 ( 1.583 -9.932 -28.423) 30.150 4.760 ( 14.521 -32.670 0.968) 35.765 7.401 ( -1.387 6.611 14.890) 16.351 8.197 ( 2.584 -47.557 -5.984) 48.002 10.624 ( 3.822 -6.870 5.402) 9.538 11.351 ( -1.860 4.155 -3.882) 5.983 11.421 ( 1.771 3.293 -4.656) 5.971 15.568 ( -1.336 6.522 16.931) 18.193 16.406 ( -0.990 -1.885 6.452) 6.794 18.190 ( -3.365 19.594 -14.133) 24.393======================= Grid point 600 (233/580) =======================q-point: (-0.11 -0.22 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.726 ( 6.193 -6.974 -4.133) 10.201 1.818 ( 3.693 -5.174 -0.836) 6.412 2.203 ( 3.102 -9.693 -27.038) 28.890 4.739 ( 19.990 -35.277 1.780) 40.586 7.427 ( 14.701 -27.469 13.681) 34.027 7.886 ( -3.544 -10.816 -5.132) 12.486 10.651 ( 4.612 -6.329 4.432) 8.999 11.347 ( -2.195 3.395 -2.524) 4.766 11.452 ( 0.069 2.074 -4.109) 4.603 15.623 ( -2.661 0.791 19.841) 20.035 16.414 ( -0.838 4.271 1.258) 4.531 18.251 ( -6.338 17.831 -13.827) 23.437======================= Grid point 617 (234/580) =======================q-point: (-0.17 -0.17 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.599 ( 0.000 -9.938 -8.854) 13.310 1.741 ( 0.000 -6.880 -1.771) 7.104 2.160 ( 0.000 -8.918 -23.394) 25.036 4.305 ( 0.000 -32.198 0.749) 32.207 7.084 ( -0.000 -61.950 8.474) 62.527 8.083 ( -0.000 14.710 -0.170) 14.711 10.535 ( -0.000 -6.375 4.771) 7.963 11.406 ( 0.000 3.700 -4.228) 5.618 11.427 ( 0.000 4.969 -3.957) 6.353 15.676 ( -0.000 -0.415 24.906) 24.910 16.428 ( 0.000 4.077 -3.210) 5.189 18.369 ( 0.000 18.044 -12.697) 22.063======================= Grid point 618 (235/580) =======================q-point: (-0.11 -0.17 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.486 ( 5.101 -13.093 -15.653) 21.035 1.686 ( 3.252 -8.501 -1.749) 9.268 2.024 ( 0.831 -7.514 -16.636) 18.273 4.107 ( 12.834 -31.975 1.070) 34.471 6.537 ( 14.988 -69.948 4.668) 71.688 8.210 ( -8.515 21.700 2.880) 23.488 10.525 ( 3.809 -5.702 3.937) 7.907 11.415 ( -1.777 4.322 -3.220) 5.675 11.467 ( 0.110 3.463 -3.476) 4.908 15.714 ( -1.525 -6.094 33.439) 34.023 16.470 ( -0.080 9.438 -14.304) 17.138 18.473 ( -3.662 16.251 -11.398) 20.184======================= Grid point 636 (236/580) =======================q-point: (-0.11 -0.11 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.230 ( 0.000 -16.302 -22.418) 27.719 1.537 ( 0.000 -13.014 -1.781) 13.135 1.901 ( 0.000 -7.896 -9.838) 12.615 3.693 ( 0.000 -28.159 0.541) 28.164 5.677 ( 0.000 -74.357 3.710) 74.449 8.511 ( -0.000 20.490 2.758) 20.675 10.447 ( -0.000 -4.673 3.203) 5.665 11.463 ( 0.000 4.087 -3.201) 5.191 11.496 ( 0.000 3.801 -2.751) 4.692 15.762 ( -0.000 -10.954 49.212) 50.417 16.516 ( 0.000 13.135 -32.562) 35.111 18.630 ( 0.000 14.467 -9.008) 17.042======================= Grid point 695 (237/580) =======================q-point: ( 0.11 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 580Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.266 ( -0.000 -0.000 14.911) 14.911 0.266 ( -0.000 -0.000 14.911) 14.911 1.431 ( -0.000 -0.000 78.405) 78.405 2.788 ( 0.000 0.000 -8.525) 8.525 2.788 ( 0.000 0.000 -8.525) 8.525 9.171 ( 0.000 0.000 -17.511) 17.511 10.286 ( 0.000 0.000 -4.673) 4.673 10.286 ( 0.000 0.000 -4.673) 4.673 11.637 ( -0.000 -0.000 4.582) 4.582 11.637 ( -0.000 -0.000 4.582) 4.582 19.095 ( -0.000 -0.000 4.641) 4.641 20.312 ( 0.000 0.000 -1.998) 1.998======================= Grid point 696 (238/580) =======================q-point: ( 0.17 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.725 ( 24.537 14.167 8.105) 29.470 1.036 ( 28.137 16.245 12.103) 34.670 1.750 ( 7.388 4.266 68.328) 68.859 2.828 ( 6.674 3.853 -10.249) 12.823 3.121 ( 32.462 18.742 -8.015) 38.331 8.943 ( -8.036 -4.640 -15.196) 17.805 10.289 ( 1.351 0.780 -5.073) 5.308 11.591 ( 0.765 0.442 -0.454) 0.993 11.635 ( -1.237 -0.714 4.912) 5.116 12.522 ( 100.415 57.974 -101.546) 154.129 18.723 ( -43.039 -24.849 25.243) 55.740 19.430 ( -27.408 -15.824 40.280) 51.226======================= Grid point 697 (239/580) =======================q-point: ( 0.22 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.268 ( 18.963 10.948 7.663) 23.198 1.495 ( 10.819 6.247 17.186) 21.247 2.095 ( 6.281 3.626 52.600) 53.098 3.056 ( 16.219 9.364 -10.926) 21.683 4.215 ( 59.212 34.186 -4.404) 68.513 8.657 ( -12.782 -7.380 -17.207) 22.670 10.319 ( 2.634 1.521 -5.459) 6.249 11.554 ( -3.240 -1.871 3.211) 4.931 11.610 ( -2.199 -1.270 5.179) 5.768 13.920 ( 50.311 29.047 -78.056) 97.302 17.815 ( -37.207 -21.482 32.133) 53.651 19.175 ( -11.132 -6.427 24.152) 27.360======================= Grid point 698 (240/580) =======================q-point: ( 0.28 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.627 ( 10.366 5.985 6.443) 13.594 1.725 ( 6.371 3.678 8.619) 11.332 2.401 ( 7.255 4.189 51.725) 52.399 3.514 ( 25.310 14.613 -9.291) 30.667 5.671 ( 65.097 37.584 -3.296) 75.240 8.244 ( -18.215 -10.516 -17.479) 27.347 10.379 ( 3.938 2.274 -5.872) 7.427 11.473 ( -4.351 -2.512 3.640) 6.204 11.566 ( -2.938 -1.696 5.489) 6.453 14.605 ( 27.918 16.118 -50.358) 59.793 17.174 ( -25.374 -14.650 15.777) 33.277 18.974 ( -12.249 -7.072 20.991) 25.312======================= Grid point 699 (241/580) =======================q-point: ( 0.33 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.814 ( 5.041 2.910 4.427) 7.313 1.860 ( 4.199 2.424 1.790) 5.169 2.750 ( 9.505 5.488 49.997) 51.187 4.131 ( 28.944 16.711 -6.690) 34.085 7.120 ( 55.231 31.888 -9.073) 64.417 7.744 ( -15.639 -9.029 -11.488) 21.403 10.464 ( 4.881 2.818 -6.304) 8.456 11.387 ( -3.678 -2.124 3.721) 5.647 11.511 ( -3.205 -1.850 5.884) 6.951 14.974 ( 15.448 8.919 -32.541) 37.109 16.700 ( -18.268 -10.547 2.886) 21.291 18.734 ( -13.472 -7.778 18.872) 24.457======================= Grid point 700 (242/580) =======================q-point: ( 0.39 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.910 ( 2.571 1.484 2.829) 4.101 1.941 ( 2.811 1.623 -0.951) 3.382 3.131 ( 10.772 6.219 44.815) 46.509 4.779 ( 27.727 16.008 -4.622) 32.348 6.993 ( -26.615 -15.366 -21.748) 37.649 8.601 ( 54.477 31.452 0.989) 62.913 10.560 ( 4.946 2.855 -6.539) 8.682 11.352 ( 0.548 0.316 3.925) 3.975 11.459 ( -2.743 -1.584 6.151) 6.919 15.143 ( 6.433 3.714 -22.430) 23.628 16.334 ( -13.219 -7.632 -3.897) 15.753 18.468 ( -13.920 -8.037 16.286) 22.882======================= Grid point 701 (243/580) =======================q-point: ( 0.44 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.960 ( 1.342 0.775 1.716) 2.312 1.990 ( 1.892 1.092 -1.838) 2.855 3.512 ( 11.148 6.436 38.222) 40.332 5.365 ( 23.430 13.528 -3.132) 27.236 6.263 ( -29.889 -17.256 -21.348) 40.582 9.706 ( 37.937 21.903 0.220) 43.806 10.646 ( 3.974 2.294 -6.013) 7.563 11.425 ( -1.654 -0.955 5.676) 5.988 11.503 ( 13.399 7.736 4.195) 16.030 15.142 ( -1.224 -0.706 -18.093) 18.148 16.065 ( -8.842 -5.105 -4.587) 11.193 18.193 ( -13.466 -7.775 12.875) 20.188======================= Grid point 702 (244/580) =======================q-point: ( 0.50 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.986 ( 0.612 0.353 0.913) 1.155 2.020 ( 1.272 0.734 -2.088) 2.553 3.875 ( 11.032 6.369 30.895) 33.418 5.508 ( -28.818 -16.638 -21.790) 39.776 5.830 ( 17.082 9.862 -1.929) 19.819 10.295 ( 13.942 8.049 1.994) 16.222 10.707 ( 2.696 1.556 -4.230) 5.252 11.413 ( -0.794 -0.459 3.893) 3.999 12.040 ( 29.971 17.304 2.943) 34.733 14.984 ( -7.466 -4.311 -16.685) 18.780 15.899 ( -4.663 -2.692 -1.031) 5.482 17.929 ( -11.889 -6.864 8.440) 16.115======================= Grid point 703 (245/580) =======================q-point: ( 0.56 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.996 ( 0.096 0.055 0.308) 0.327 2.038 ( 0.832 0.480 -2.175) 2.378 4.166 ( 4.182 2.414 17.080) 17.749 4.870 ( -16.980 -9.803 -15.905) 25.247 6.135 ( 9.372 5.411 -0.819) 10.853 10.490 ( 4.065 2.347 4.666) 6.618 10.752 ( 2.104 1.215 -1.522) 2.867 11.401 ( -1.090 -0.629 1.090) 1.665 12.731 ( 25.034 14.453 0.318) 28.908 14.733 ( -8.533 -4.926 -14.576) 17.594 15.845 ( -0.365 -0.211 4.134) 4.155 17.701 ( -9.054 -5.227 2.855) 10.838======================= Grid point 704 (246/580) =======================q-point: (-0.39 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.994 ( -0.337 -0.195 -0.144) 0.415 2.047 ( 0.477 0.276 -2.300) 2.365 3.925 ( -19.617 -11.326 -15.329) 27.351 4.898 ( 15.055 8.692 9.823) 19.968 6.255 ( 0.930 0.537 0.243) 1.101 10.563 ( 1.119 0.646 6.991) 7.109 10.802 ( 2.269 1.310 1.455) 2.997 11.361 ( -2.377 -1.372 -2.063) 3.434 13.007 ( -3.854 -2.225 -4.237) 6.144 14.627 ( 5.111 2.951 -10.442) 11.994 15.913 ( 4.478 2.586 10.660) 11.848 17.533 ( -5.166 -2.983 -3.766) 7.055======================= Grid point 705 (247/580) =======================q-point: (-0.33 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.980 ( -0.786 -0.454 -0.452) 1.014 2.046 ( 0.132 0.076 -2.659) 2.663 3.410 ( -19.231 -11.103 -18.496) 28.900 5.389 ( 23.413 13.517 9.184) 28.552 6.179 ( -7.585 -4.379 1.203) 8.841 10.583 ( -1.907 -1.101 8.863) 9.133 10.866 ( 2.327 1.343 4.502) 5.242 11.280 ( -3.484 -2.012 -5.309) 6.661 12.578 ( -27.936 -16.129 -6.794) 32.965 14.853 ( 13.782 7.957 -8.859) 18.214 16.110 ( 8.255 4.766 18.196) 20.542 17.445 ( -0.326 -0.188 -10.867) 10.874======================= Grid point 706 (248/580) =======================q-point: (-0.28 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.954 ( -1.358 -0.784 -0.607) 1.681 2.035 ( -0.321 -0.185 -3.747) 3.766 2.932 ( -17.742 -10.244 -14.551) 25.129 5.915 ( -15.466 -8.929 1.960) 17.966 6.012 ( 27.972 16.150 5.612) 32.783 10.464 ( -13.614 -7.860 9.505) 18.371 10.918 ( -0.238 -0.138 6.885) 6.891 11.189 ( -1.623 -0.937 -7.841) 8.062 11.843 ( -29.521 -17.044 -6.108) 34.631 15.134 ( 12.296 7.099 -8.679) 16.640 16.363 ( 7.088 4.092 22.201) 23.662 17.466 ( 5.945 3.433 -15.778) 17.207======================= Grid point 707 (249/580) =======================q-point: (-0.22 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.911 ( -2.210 -1.276 -0.585) 2.618 2.002 ( -1.433 -0.828 -7.312) 7.497 2.496 ( -17.152 -9.903 -5.032) 20.435 5.484 ( -21.960 -12.679 2.384) 25.469 6.697 ( 29.496 17.030 2.219) 34.131 9.842 ( -42.455 -24.511 5.603) 49.342 10.860 ( -5.607 -3.237 2.692) 7.011 11.198 ( 3.527 2.036 -3.683) 5.491 11.376 ( -8.898 -5.137 -0.991) 10.322 15.375 ( 10.713 6.185 -6.544) 13.994 16.526 ( 1.541 0.890 15.640) 15.741 17.637 ( 12.354 7.132 -12.475) 18.950======================= Grid point 708 (250/580) =======================q-point: (-0.17 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.843 ( -3.639 -2.101 -0.312) 4.214 1.877 ( -8.366 -4.830 -14.991) 17.834 2.150 ( -11.640 -6.720 11.788) 17.878 4.927 ( -26.273 -15.169 2.299) 30.425 7.359 ( 26.221 15.138 -2.461) 30.377 8.672 ( -56.126 -32.405 4.396) 64.958 10.715 ( -6.492 -3.748 -0.949) 7.556 11.293 ( 4.647 2.683 0.058) 5.366 11.311 ( 0.823 0.475 2.301) 2.489 15.602 ( 10.183 5.879 -2.550) 12.031 16.530 ( -3.083 -1.780 1.858) 4.016 17.940 ( 15.153 8.749 -3.596) 17.863======================= Grid point 709 (251/580) =======================q-point: (-0.11 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.550 ( -15.436 -8.912 -0.014) 17.823 1.732 ( -6.281 -3.626 0.385) 7.263 2.009 ( -5.660 -3.268 10.828) 12.648 4.302 ( -27.479 -15.865 1.437) 31.763 7.151 ( -58.005 -33.489 -6.200) 67.265 8.063 ( 18.029 10.409 4.046) 21.208 10.568 ( -5.562 -3.211 -2.438) 6.870 11.372 ( 3.246 1.874 3.061) 4.839 11.401 ( 4.234 2.445 1.748) 5.192 15.820 ( 8.195 4.731 -4.926) 10.668 16.426 ( -3.986 -2.301 -4.103) 6.166 18.292 ( 14.714 8.495 3.817) 17.414======================= Grid point 714 (252/580) =======================q-point: ( 0.17 0.17 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.768 ( -0.000 27.389 9.463) 28.978 1.065 ( -0.000 34.169 10.939) 35.878 1.961 ( -0.000 5.941 69.897) 70.149 2.829 ( 0.000 9.521 -10.425) 14.118 3.060 ( 0.000 36.261 -9.813) 37.566 8.909 ( 0.000 -7.975 -17.849) 19.550 10.265 ( 0.000 1.166 -5.567) 5.688 11.635 ( -0.000 0.967 2.884) 3.042 11.659 ( -0.000 -1.106 5.427) 5.539 12.218 ( 0.000 114.716 -88.349) 144.794 18.778 ( -0.000 -44.103 17.697) 47.522 19.533 ( -0.000 -34.854 35.958) 50.078======================= Grid point 715 (253/580) =======================q-point: ( 0.22 0.17 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.179 ( 11.898 20.954 8.823) 25.661 1.454 ( 8.123 12.926 13.610) 20.452 2.235 ( 2.316 4.731 59.217) 59.450 2.970 ( 6.317 16.928 -11.413) 21.371 3.807 ( 33.583 52.790 -5.761) 62.831 8.691 ( -7.634 -9.816 -19.511) 23.137 10.285 ( 2.048 2.305 -5.860) 6.622 11.610 ( -3.256 -1.093 4.169) 5.402 11.641 ( -1.401 -1.779 5.522) 5.968 13.345 ( 36.512 65.957 -79.056) 109.240 18.125 ( -22.952 -43.930 27.480) 56.673 19.313 ( -6.829 -13.840 25.761) 30.031======================= Grid point 716 (254/580) =======================q-point: ( 0.28 0.17 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.560 ( 9.345 11.295 7.674) 16.546 1.685 ( 5.557 4.285 9.478) 11.793 2.507 ( 4.279 4.737 54.813) 55.183 3.342 ( 15.444 25.502 -10.302) 31.544 5.089 ( 50.450 53.001 -3.509) 73.257 8.337 ( -12.974 -12.926 -19.790) 26.964 10.341 ( 2.703 4.130 -6.158) 7.892 11.537 ( -4.380 -2.427 4.337) 6.624 11.609 ( -2.063 -2.013 5.582) 6.282 14.200 ( 27.447 35.642 -56.008) 71.838 17.425 ( -21.842 -29.958 17.940) 41.187 19.126 ( -8.628 -11.818 21.507) 26.012======================= Grid point 717 (255/580) =======================q-point: ( 0.33 0.17 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.780 ( 4.961 4.879 5.468) 8.849 1.818 ( 4.181 2.147 3.777) 6.030 2.816 ( 6.868 5.207 52.228) 52.934 3.923 ( 20.705 30.495 -7.515) 37.618 6.507 ( 54.090 45.692 -4.911) 70.977 7.876 ( -16.493 -14.010 -17.465) 27.809 10.423 ( 3.119 5.664 -6.396) 9.095 11.443 ( -4.411 -3.056 4.271) 6.858 11.565 ( -2.707 -1.593 5.650) 6.464 14.721 ( 17.306 20.302 -37.302) 45.860 16.869 ( -17.083 -20.875 5.830) 27.597 18.900 ( -10.483 -12.297 19.098) 25.017======================= Grid point 718 (256/580) =======================q-point: ( 0.39 0.17 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.887 ( 2.859 1.579 2.865) 4.345 1.906 ( 2.942 1.860 0.969) 3.613 3.157 ( 8.798 5.194 47.524) 48.610 4.584 ( 20.879 31.182 -5.145) 37.877 7.149 ( -15.385 -14.229 -24.431) 32.188 8.049 ( 46.748 37.117 2.637) 59.749 10.521 ( 3.224 6.550 -6.499) 9.775 11.365 ( -2.160 -2.514 4.157) 5.316 11.521 ( -2.978 -0.478 5.683) 6.434 15.007 ( 8.812 10.896 -25.197) 28.832 16.439 ( -12.514 -14.842 -2.365) 19.557 18.635 ( -11.533 -12.759 16.596) 23.901======================= Grid point 719 (257/580) =======================q-point: ( 0.44 0.17 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.944 ( 1.978 0.431 0.985) 2.251 1.964 ( 1.851 1.337 -0.145) 2.288 3.504 ( 9.840 4.684 41.212) 42.628 5.211 ( 17.472 28.117 -3.769) 33.317 6.513 ( -25.851 -17.468 -22.611) 38.532 9.252 ( 44.255 31.883 1.364) 54.560 10.623 ( 2.678 7.095 -6.254) 9.829 11.375 ( 4.675 -0.607 4.431) 6.469 11.496 ( -1.798 1.935 5.100) 5.744 15.102 ( 1.113 4.306 -19.027) 19.540 16.121 ( -8.065 -10.414 -4.986) 14.084 18.348 ( -11.694 -12.780 13.509) 21.967======================= Grid point 720 (258/580) =======================q-point: ( 0.50 0.17 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.975 ( 1.261 -0.077 0.289) 1.296 2.000 ( 1.251 0.917 -1.103) 1.903 3.838 ( 10.347 3.884 34.086) 35.833 5.582 ( -4.777 -6.243 -13.447) 15.576 5.946 ( -11.343 15.310 -11.732) 22.376 10.105 ( 22.718 16.572 2.424) 28.224 10.716 ( 1.143 8.096 -5.140) 9.658 11.445 ( -0.586 0.404 4.551) 4.606 11.709 ( 22.475 9.626 2.934) 24.625 15.023 ( -5.838 -0.513 -17.188) 18.159 15.921 ( -3.674 -6.795 -2.425) 8.096 18.059 ( -10.919 -12.126 9.605) 18.935======================= Grid point 721 (259/580) =======================q-point: ( 0.56 0.17 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.989 ( 0.670 -0.367 -0.072) 0.767 2.022 ( 0.870 0.632 -1.772) 2.073 4.133 ( 8.604 1.524 24.719) 26.218 5.018 ( -20.899 -16.612 -20.864) 33.883 6.208 ( 1.406 27.233 -1.646) 27.319 10.444 ( 6.739 4.859 4.595) 9.494 10.790 ( -0.896 8.471 -2.577) 8.899 11.440 ( -2.123 1.511 2.336) 3.500 12.348 ( 32.501 11.055 0.602) 34.335 14.808 ( -9.900 -3.019 -16.119) 19.155 15.841 ( 0.259 -3.352 2.573) 4.233 17.791 ( -9.066 -10.695 4.707) 14.790======================= Grid point 722 (260/580) =======================q-point: ( 0.61 0.17 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.991 ( 0.173 -0.537 -0.352) 0.664 2.033 ( 0.558 0.431 -2.268) 2.375 4.083 ( -15.554 -12.309 -8.208) 21.467 4.765 ( 8.473 2.332 4.849) 10.037 6.421 ( -5.925 22.715 -0.327) 23.478 10.561 ( 2.522 1.322 6.508) 7.104 10.847 ( -1.417 8.148 0.190) 8.272 11.411 ( -3.597 1.597 -0.250) 3.943 12.868 ( 16.300 -1.047 -2.686) 16.553 14.598 ( -4.078 0.486 -13.473) 14.085 15.883 ( 4.479 0.493 8.562) 9.675 17.565 ( -6.103 -8.722 -1.236) 10.717======================= Grid point 723 (261/580) =======================q-point: (-0.33 0.17 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.983 ( -0.307 -0.649 -0.558) 0.910 2.036 ( 0.219 0.287 -2.834) 2.857 3.580 ( -19.528 -11.872 -16.766) 28.344 5.126 ( 20.930 7.268 9.102) 23.953 6.450 ( -14.327 18.118 0.623) 23.106 10.614 ( 0.403 -0.299 8.163) 8.178 10.912 ( -0.797 7.821 2.563) 8.268 11.342 ( -5.505 1.339 -2.774) 6.308 12.765 ( -14.172 -17.499 -6.012) 23.307 14.673 ( 10.927 6.898 -10.900) 16.905 16.061 ( 8.776 4.336 15.779) 18.568 17.401 ( -2.015 -6.584 -8.094) 10.627======================= Grid point 724 (262/580) =======================q-point: (-0.28 0.17 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.964 ( -0.863 -0.765 -0.672) 1.335 2.028 ( -0.279 0.183 -3.873) 3.888 3.103 ( -17.861 -9.227 -12.998) 23.939 5.640 ( 25.768 6.851 5.336) 27.192 6.302 ( -20.897 15.105 1.332) 25.819 10.596 ( -5.067 -3.253 9.174) 10.973 10.990 ( -0.749 7.486 5.145) 9.114 11.232 ( -6.646 0.534 -5.552) 8.677 12.138 ( -28.027 -22.482 -6.304) 36.478 14.941 ( 13.917 6.423 -10.573) 18.620 16.339 ( 9.203 5.744 22.031) 24.557 17.327 ( 4.152 -3.868 -14.730) 15.785======================= Grid point 725 (263/580) =======================q-point: (-0.22 0.17 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.932 ( -1.624 -0.968 -0.735) 2.028 2.002 ( -1.350 0.087 -6.185) 6.331 2.691 ( -16.889 -7.644 -3.834) 18.931 5.839 ( -19.193 0.920 2.018) 19.320 6.377 ( 21.168 16.277 1.201) 26.729 10.291 ( -28.495 -14.568 7.402) 32.848 10.993 ( -9.738 2.104 2.939) 10.387 11.148 ( 1.952 1.025 -4.100) 4.656 11.515 ( -16.012 -10.592 -2.746) 19.393 15.202 ( 12.889 5.342 -9.459) 16.857 16.557 ( 2.495 2.001 18.486) 18.760 17.416 ( 13.301 1.143 -13.388) 18.906======================= Grid point 726 (264/580) =======================q-point: (-0.17 0.17 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.879 ( -3.023 -1.574 -1.616) 3.772 1.932 ( -4.630 -0.127 -9.272) 10.364 2.349 ( -14.769 -6.364 10.420) 19.163 5.370 ( -32.132 -0.610 1.645) 32.180 6.992 ( 29.581 11.973 -2.377) 32.000 9.349 ( -53.082 -26.006 3.626) 59.222 10.822 ( -8.546 -1.164 -2.154) 8.890 11.229 ( 4.073 1.899 1.539) 4.750 11.347 ( -2.199 1.363 1.540) 3.011 15.448 ( 12.246 5.216 -7.012) 15.044 16.572 ( -3.254 -2.593 3.835) 5.659 17.712 ( 18.162 5.234 -2.170) 19.025======================= Grid point 727 (265/580) =======================q-point: (-0.11 0.17 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.727 ( -11.316 -2.826 -3.661) 12.225 1.816 ( -5.703 -0.659 -0.150) 5.743 2.137 ( -8.872 -4.147 17.893) 20.398 4.761 ( -35.307 -3.319 0.791) 35.471 7.520 ( 10.739 3.865 -11.058) 15.891 8.134 ( -45.909 -22.567 7.722) 51.735 10.664 ( -7.911 -0.232 -3.313) 8.579 11.321 ( 4.327 0.764 2.806) 5.213 11.386 ( 1.951 3.168 2.868) 4.697 15.681 ( 10.517 4.062 -7.593) 13.593 16.459 ( -4.366 -3.194 -4.802) 7.233 18.095 ( 17.911 5.961 6.206) 19.871======================= Grid point 733 (266/580) =======================q-point: ( 0.22 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.316 ( -0.000 20.127 8.971) 22.036 1.556 ( -0.000 10.270 12.517) 16.191 2.441 ( -0.000 4.483 57.396) 57.570 3.070 ( 0.000 21.522 -10.988) 24.165 4.120 ( -0.000 68.374 -4.932) 68.552 8.591 ( 0.000 -11.986 -21.352) 24.486 10.269 ( 0.000 2.740 -5.949) 6.550 11.631 ( -0.000 -2.911 5.590) 6.302 11.656 ( -0.000 -2.572 5.636) 6.195 13.531 ( 0.000 69.483 -70.434) 98.938 17.909 ( -0.000 -48.799 23.901) 54.337 19.291 ( -0.000 -15.449 23.282) 27.941======================= Grid point 734 (267/580) =======================q-point: ( 0.28 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.573 ( 5.658 12.533 7.799) 15.808 1.688 ( 2.437 4.331 9.538) 10.754 2.669 ( 1.709 4.669 54.713) 54.938 3.375 ( 9.738 29.389 -9.850) 32.490 5.034 ( 24.075 68.504 -3.473) 72.694 8.323 ( -7.892 -14.079 -21.511) 26.893 10.312 ( 3.007 3.996 -6.181) 7.951 11.590 ( -2.921 -3.609 5.305) 7.050 11.630 ( -1.187 -2.642 5.507) 6.222 14.094 ( 13.924 48.757 -54.856) 74.701 17.409 ( -10.751 -39.734 16.835) 44.473 19.165 ( -4.206 -15.272 20.765) 26.118======================= Grid point 735 (268/580) =======================q-point: ( 0.33 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.773 ( 4.107 5.873 5.727) 9.174 1.786 ( 3.083 1.804 5.263) 6.361 2.928 ( 4.125 4.645 52.106) 52.475 3.921 ( 17.009 35.957 -7.403) 40.460 6.211 ( 36.517 58.032 -4.387) 68.706 7.931 ( -12.515 -13.988 -19.150) 26.814 10.405 ( 3.864 5.801 -6.413) 9.472 11.500 ( -4.360 -3.939 4.720) 7.536 11.600 ( -1.427 -2.076 5.328) 5.894 14.591 ( 13.059 30.530 -39.012) 51.231 16.893 ( -12.184 -29.313 7.052) 32.518 18.968 ( -7.141 -15.890 18.781) 25.617======================= Grid point 736 (269/580) =======================q-point: ( 0.39 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.857 ( 2.694 0.724 2.420) 3.692 1.889 ( 2.634 2.797 3.163) 4.977 3.216 ( 6.389 4.014 48.062) 48.650 4.595 ( 18.339 38.665 -5.260) 43.115 7.082 ( 4.982 0.476 -22.009) 22.571 7.814 ( 20.678 32.009 -0.295) 38.108 10.517 ( 3.602 7.234 -6.375) 10.293 11.401 ( -3.828 -3.519 4.081) 6.610 11.574 ( -1.696 -0.785 5.167) 5.494 14.920 ( 8.369 17.623 -26.616) 33.000 16.452 ( -10.342 -20.903 -1.363) 23.362 18.716 ( -9.059 -16.541 16.680) 25.177======================= Grid point 737 (270/580) =======================q-point: ( 0.44 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.909 ( 2.341 0.140 0.338) 2.369 1.952 ( 1.599 1.508 1.681) 2.767 3.513 ( 7.973 2.869 42.443) 43.280 5.257 ( 14.549 35.968 -4.395) 39.047 6.660 ( -18.417 -16.841 -23.214) 34.084 8.873 ( 40.422 41.424 2.372) 57.927 10.634 ( 3.194 7.921 -6.067) 10.476 11.340 ( -0.606 -2.071 3.589) 4.187 11.560 ( -1.656 1.116 4.897) 5.289 15.080 ( 2.615 8.765 -18.568) 20.699 16.108 ( -7.215 -14.683 -6.002) 17.426 18.428 ( -9.917 -16.806 14.091) 24.070======================= Grid point 738 (271/580) =======================q-point: ( 0.50 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.944 ( 1.851 -0.258 -0.706) 1.997 1.990 ( 1.019 0.909 0.558) 1.476 3.801 ( 8.956 1.397 35.784) 36.914 5.604 ( -5.394 0.151 -13.341) 14.391 6.269 ( -8.324 19.399 -12.579) 24.573 9.871 ( 29.672 27.825 2.833) 40.776 10.759 ( 3.461 9.638 -5.809) 11.773 11.392 ( 7.148 0.195 3.662) 8.034 11.583 ( 1.577 3.664 3.821) 5.524 15.076 ( -4.062 3.128 -15.192) 16.033 15.876 ( -2.812 -10.312 -5.414) 11.982 18.126 ( -9.769 -16.394 10.768) 21.912======================= Grid point 739 (272/580) =======================q-point: ( 0.56 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.964 ( 1.337 -0.542 -1.146) 1.842 2.012 ( 0.667 0.612 -0.353) 0.971 4.060 ( 8.911 -0.917 27.901) 29.304 5.132 ( -19.611 -17.857 -21.043) 33.856 6.564 ( -1.647 40.604 -2.990) 40.747 10.392 ( 8.977 10.081 4.261) 14.155 10.901 ( 0.573 12.525 -4.110) 13.195 11.501 ( -0.103 2.779 3.560) 4.518 11.887 ( 27.750 5.925 0.821) 28.388 14.919 ( -9.861 0.047 -14.842) 17.819 15.775 ( 1.911 -6.546 -0.515) 6.839 17.831 ( -8.675 -15.148 6.517) 18.633======================= Grid point 740 (273/580) =======================q-point: ( 0.61 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.973 ( 0.843 -0.702 -1.303) 1.703 2.024 ( 0.416 0.460 -1.130) 1.289 4.147 ( -5.566 -11.013 4.992) 13.310 4.703 ( -2.979 -4.220 -5.594) 7.614 6.874 ( -9.085 39.093 -1.077) 40.149 10.549 ( 2.768 2.723 4.982) 6.317 10.992 ( -2.835 12.039 -1.198) 12.426 11.508 ( -3.562 4.009 2.042) 5.739 12.445 ( 28.136 -1.999 -1.840) 28.266 14.689 ( -10.017 0.747 -13.975) 17.211 15.807 ( 5.980 -2.236 5.599) 8.491 17.565 ( -6.716 -13.307 1.289) 14.962======================= Grid point 741 (274/580) =======================q-point: (-0.33 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.972 ( 0.354 -0.747 -1.348) 1.581 2.029 ( 0.160 0.395 -1.853) 1.901 3.740 ( -18.023 -12.653 -13.490) 25.825 4.881 ( 16.053 3.304 8.254) 18.350 7.010 ( -18.080 34.978 0.011) 39.374 10.615 ( 1.612 0.239 5.707) 5.935 11.052 ( -3.271 11.076 0.656) 11.568 11.473 ( -5.976 4.569 0.718) 7.556 12.652 ( 5.393 -17.489 -4.436) 18.832 14.589 ( 1.119 5.770 -12.175) 13.519 15.976 ( 10.217 2.641 12.222) 16.148 17.341 ( -3.959 -11.498 -4.857) 13.095======================= Grid point 742 (275/580) =======================q-point: (-0.28 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.962 ( -0.189 -0.721 -1.353) 1.545 2.026 ( -0.229 0.415 -2.702) 2.743 3.286 ( -17.299 -8.398 -11.210) 22.259 5.285 ( 22.922 4.125 5.319) 23.890 6.946 ( -26.278 29.422 0.597) 39.453 10.643 ( -0.446 -1.117 6.337) 6.450 11.109 ( -2.297 9.329 1.253) 9.689 11.393 ( -8.840 4.717 0.078) 10.020 12.286 ( -17.470 -25.534 -5.355) 31.399 14.744 ( 11.254 6.556 -11.124) 17.128 16.277 ( 12.690 6.526 19.142) 23.876 17.172 ( 0.329 -10.082 -12.071) 15.732======================= Grid point 743 (276/580) =======================q-point: (-0.22 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.942 ( -0.892 -0.675 -1.411) 1.801 2.011 ( -0.969 0.555 -3.944) 4.099 2.904 ( -16.219 -5.395 -3.043) 17.362 5.757 ( 23.549 3.307 1.579) 23.833 6.717 ( -28.607 23.325 0.372) 36.913 10.565 ( -11.467 -4.360 6.826) 14.039 11.145 ( -2.870 0.028 -3.921) 4.859 11.245 ( -12.636 5.455 3.491) 14.199 11.675 ( -18.632 -17.409 -3.481) 25.736 14.990 ( 13.420 5.074 -10.052) 17.518 16.586 ( 5.290 4.779 20.889) 22.072 17.127 ( 11.566 -5.889 -15.557) 20.260======================= Grid point 744 (277/580) =======================q-point: (-0.17 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.907 ( -2.024 -0.590 -1.806) 2.775 1.976 ( -2.500 0.880 -5.283) 5.911 2.592 ( -15.418 -3.751 9.047) 18.266 5.922 ( -18.182 4.878 0.563) 18.833 6.672 ( 11.000 13.375 -2.744) 17.533 9.990 ( -43.695 -17.443 3.559) 47.182 10.926 ( -6.468 -4.983 -4.712) 9.427 11.245 ( -1.776 6.165 3.598) 7.356 11.416 ( -4.590 -0.568 1.016) 4.735 15.247 ( 13.543 4.705 -8.250) 16.541 16.614 ( -3.996 -3.419 1.918) 5.598 17.404 ( 21.302 2.696 0.768) 21.485======================= Grid point 745 (278/580) =======================q-point: (-0.11 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.841 ( -4.800 0.038 -2.568) 5.444 1.908 ( -4.722 1.095 -3.367) 5.902 2.354 ( -13.175 -2.869 21.374) 25.272 5.422 ( -38.363 3.531 -0.129) 38.525 7.145 ( 27.498 6.273 -7.206) 29.110 8.901 ( -57.810 -18.763 2.531) 60.832 10.787 ( -6.649 -0.245 -3.927) 7.726 11.285 ( 1.261 1.703 2.371) 3.180 11.404 ( 0.145 2.104 3.448) 4.041 15.497 ( 12.262 3.871 -7.750) 15.013 16.478 ( -4.324 -4.491 -8.083) 10.208 17.831 ( 20.785 4.365 9.541) 23.283======================= Grid point 752 (279/580) =======================q-point: ( 0.28 0.28 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.663 ( -0.000 9.970 7.032) 12.200 1.731 ( -0.000 2.606 8.162) 8.568 2.864 ( -0.000 4.377 53.201) 53.381 3.559 ( 0.000 32.146 -8.878) 33.349 5.552 ( -0.000 73.321 -3.309) 73.396 8.183 ( 0.000 -14.642 -22.143) 26.546 10.304 ( 0.000 4.410 -6.016) 7.460 11.592 ( -0.000 -4.214 5.413) 6.860 11.624 ( -0.000 -3.899 5.499) 6.741 14.314 ( 0.000 45.489 -47.482) 65.756 17.139 ( -0.000 -38.900 12.655) 40.907 19.098 ( -0.000 -17.051 19.483) 25.890======================= Grid point 753 (280/580) =======================q-point: ( 0.33 0.28 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.781 ( 1.411 1.885 5.556) 6.035 1.790 ( 2.303 5.018 5.578) 7.849 3.076 ( 1.690 3.810 50.672) 50.843 3.990 ( 12.830 35.560 -6.968) 38.440 6.378 ( 14.213 62.553 -5.420) 64.376 7.920 ( -6.807 -9.807 -19.059) 22.489 10.370 ( 3.751 5.449 -6.131) 9.020 11.535 ( -2.889 -4.756 4.861) 7.389 11.602 ( 0.020 -3.365 5.201) 6.195 14.642 ( 5.447 33.030 -36.980) 49.881 16.756 ( -5.516 -31.384 6.018) 32.429 18.945 ( -3.600 -18.232 18.099) 25.941======================= Grid point 754 (281/580) =======================q-point: ( 0.39 0.28 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.830 ( 1.840 0.410 3.242) 3.750 1.886 ( 2.157 2.906 3.528) 5.054 3.304 ( 3.806 2.673 47.020) 47.250 4.637 ( 19.712 37.797 -5.096) 42.932 6.961 ( 3.670 4.835 -20.264) 21.154 7.914 ( 8.223 37.405 -2.660) 38.390 10.492 ( 4.969 6.521 -6.097) 10.217 11.441 ( -3.695 -4.337 3.942) 6.928 11.590 ( 0.032 -1.887 4.802) 5.159 14.910 ( 5.491 19.562 -26.466) 33.366 16.381 ( -7.187 -22.048 -1.143) 23.218 18.721 ( -6.404 -19.118 16.504) 26.056======================= Grid point 755 (282/580) =======================q-point: ( 0.44 0.28 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.873 ( 2.009 -0.024 1.150) 2.315 1.947 ( 1.463 1.534 2.126) 3.002 3.541 ( 5.702 0.988 42.146) 42.542 5.339 ( 17.360 35.813 -4.576) 40.061 6.669 ( -10.271 -16.840 -23.398) 30.604 8.755 ( 26.219 51.042 2.558) 57.439 10.624 ( 4.331 6.642 -5.475) 9.636 11.359 ( -2.527 -2.479 2.690) 4.446 11.596 ( 0.038 0.076 4.483) 4.484 15.063 ( 3.631 8.556 -17.508) 19.822 16.064 ( -7.128 -13.784 -6.936) 16.998 18.445 ( -8.148 -19.585 14.495) 25.692======================= Grid point 756 (283/580) =======================q-point: ( 0.50 0.28 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.906 ( 1.871 -0.331 -0.295) 1.923 1.984 ( 0.959 0.862 1.128) 1.714 3.771 ( 7.086 -1.066 36.180) 36.883 5.665 ( -6.870 -1.976 -14.517) 16.181 6.496 ( 4.246 23.054 -11.770) 26.231 9.704 ( 27.191 39.131 3.019) 47.746 10.743 ( 4.623 5.569 -4.605) 8.578 11.336 ( 0.873 0.494 1.456) 1.768 11.621 ( 0.125 2.137 4.082) 4.609 15.107 ( 0.273 2.198 -11.361) 11.575 15.815 ( -5.346 -8.750 -9.443) 13.939 18.140 ( -8.724 -19.366 11.831) 24.313======================= Grid point 757 (284/580) =======================q-point: ( 0.56 0.28 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.929 ( 1.578 -0.551 -1.165) 2.037 2.007 ( 0.621 0.518 0.368) 0.888 3.978 ( 7.721 -3.720 29.078) 30.315 5.220 ( -17.844 -17.155 -20.228) 31.967 6.974 ( 5.367 44.758 -3.973) 45.253 10.377 ( 10.818 19.669 4.236) 22.844 10.923 ( 10.099 9.543 -4.760) 14.688 11.433 ( 8.938 2.337 1.274) 9.326 11.676 ( 2.878 3.260 2.988) 5.277 15.041 ( -6.265 1.037 -9.988) 11.836 15.663 ( 0.318 -6.971 -6.162) 9.310 17.832 ( -8.250 -18.226 8.277) 21.651======================= Grid point 758 (285/580) =======================q-point: ( 0.61 0.28 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.943 ( 1.227 -0.651 -1.629) 2.141 2.020 ( 0.380 0.355 -0.261) 0.582 4.095 ( 2.375 -9.870 15.394) 18.440 4.742 ( -11.498 -8.659 -13.391) 19.660 7.445 ( -4.644 47.656 -1.821) 47.916 10.568 ( 0.530 5.186 3.770) 6.433 11.139 ( 1.127 12.292 -2.422) 12.579 11.598 ( 1.130 4.750 2.821) 5.639 11.917 ( 24.573 -3.717 -0.926) 24.870 14.862 ( -11.568 2.618 -11.377) 16.435 15.663 ( 7.234 -4.630 1.100) 8.659 17.543 ( -7.042 -16.302 3.792) 18.158======================= Grid point 759 (286/580) =======================q-point: ( 0.67 0.28 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.950 ( 0.843 -0.614 -1.821) 2.099 2.026 ( 0.171 0.316 -0.830) 0.905 3.858 ( -13.511 -13.080 -7.547) 20.263 4.697 ( 9.110 0.388 4.993) 10.396 7.732 ( -16.589 45.916 -0.453) 48.823 10.611 ( 0.599 0.964 3.269) 3.461 11.225 ( -3.118 10.866 -0.415) 11.312 11.626 ( -4.200 6.111 2.519) 7.831 12.229 ( 19.806 -17.696 -3.052) 26.735 14.681 ( -8.440 5.986 -11.253) 15.287 15.823 ( 12.331 -0.288 7.641) 14.509 17.284 ( -5.476 -14.197 -1.351) 15.276======================= Grid point 760 (287/580) =======================q-point: (-0.28 0.28 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.950 ( 0.384 -0.462 -1.818) 1.914 2.027 ( -0.095 0.380 -1.419) 1.472 3.463 ( -15.577 -7.700 -8.764) 19.461 4.968 ( 18.066 1.207 4.878) 18.752 7.776 ( -27.905 39.674 0.237) 48.505 10.640 ( 1.232 -0.062 2.990) 3.234 11.260 ( -4.045 8.308 0.518) 9.255 11.599 ( -7.044 6.616 2.008) 9.871 12.164 ( 0.024 -27.033 -3.775) 27.295 14.661 ( 1.834 7.660 -10.063) 12.780 16.128 ( 16.565 4.268 12.889) 21.418 17.057 ( -3.750 -12.635 -6.939) 14.895======================= Grid point 761 (288/580) =======================q-point: (-0.22 0.28 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.942 ( -0.220 -0.241 -1.693) 1.724 2.021 ( -0.540 0.556 -2.135) 2.271 3.125 ( -14.968 -3.294 -2.137) 15.475 5.358 ( 23.813 1.306 1.019) 23.871 7.564 ( -36.003 29.603 0.024) 46.611 10.664 ( -0.971 1.042 3.350) 3.640 11.227 ( -7.022 -0.351 -1.262) 7.143 11.520 ( -10.384 5.955 2.445) 12.218 11.753 ( -12.607 -21.325 -2.569) 24.905 14.809 ( 9.501 6.179 -8.452) 14.138 16.541 ( 17.217 7.755 18.803) 26.648 16.860 ( -0.083 -12.427 -14.668) 19.224======================= Grid point 762 (289/580) =======================q-point: (-0.17 0.28 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.926 ( -1.047 0.070 -1.503) 1.833 2.005 ( -1.323 0.872 -2.952) 3.350 2.858 ( -14.626 -0.683 8.185) 16.775 5.796 ( 23.694 0.798 -2.374) 23.826 7.153 ( -36.445 17.961 -1.268) 40.651 10.512 ( -26.505 -4.420 3.834) 27.143 10.927 ( -6.872 -11.754 -5.228) 14.585 11.417 ( -7.734 6.226 3.329) 10.472 11.493 ( -5.656 -2.363 0.412) 6.143 15.040 ( 12.633 5.177 -6.556) 15.145 16.638 ( -4.585 -7.179 -7.905) 11.621 17.051 ( 23.446 3.946 9.490) 25.599======================= Grid point 763 (290/580) =======================q-point: (-0.11 0.28 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.897 ( -2.213 0.621 -1.097) 2.547 1.973 ( -2.566 1.316 -3.279) 4.366 2.649 ( -14.328 0.621 20.110) 24.700 5.985 ( -12.294 1.102 -2.554) 12.605 6.853 ( -0.492 5.946 -5.774) 8.303 9.712 ( -50.108 -9.504 1.010) 51.012 10.838 ( -1.180 -0.848 -2.886) 3.232 11.342 ( -5.252 1.201 0.054) 5.388 11.443 ( -1.525 1.124 4.412) 4.802 15.297 ( 12.811 4.377 -5.488) 14.609 16.458 ( -3.283 -6.895 -14.462) 16.354 17.533 ( 22.180 4.635 14.231) 26.757======================= Grid point 771 (291/580) =======================q-point: ( 0.33 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.798 ( -0.000 0.578 5.102) 5.135 1.833 ( -0.000 4.379 4.526) 6.298 3.245 ( -0.000 2.606 48.539) 48.609 4.203 ( 0.000 35.270 -6.258) 35.821 6.799 ( 0.000 39.925 -11.811) 41.635 7.908 ( 0.000 12.276 -12.794) 17.731 10.373 ( 0.000 5.929 -5.889) 8.357 11.533 ( -0.000 -4.340 4.290) 6.102 11.569 ( -0.000 -4.767 5.325) 7.147 14.799 ( 0.000 25.985 -31.623) 40.930 16.521 ( 0.000 -26.057 2.605) 26.187 18.838 ( -0.000 -19.735 17.215) 26.188======================= Grid point 772 (292/580) =======================q-point: ( 0.39 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.822 ( 0.730 0.161 3.702) 3.777 1.894 ( 1.254 2.648 3.340) 4.443 3.417 ( 1.473 1.015 45.221) 45.256 4.672 ( 14.649 34.933 -4.947) 38.202 6.884 ( -2.451 -8.649 -22.569) 24.294 8.262 ( 4.242 54.274 -1.032) 54.450 10.456 ( 4.021 6.558 -5.800) 9.634 11.465 ( -3.040 -4.489 3.812) 6.628 11.562 ( 1.761 -3.391 4.722) 6.074 14.938 ( 2.317 13.407 -24.132) 27.704 16.274 ( -3.697 -15.934 -2.530) 16.552 18.655 ( -3.370 -20.745 16.106) 26.478======================= Grid point 773 (293/580) =======================q-point: ( 0.44 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.848 ( 1.246 -0.163 2.093) 2.441 1.945 ( 1.235 1.469 2.213) 2.929 3.588 ( 3.253 -1.081 40.852) 40.995 5.331 ( 20.806 32.639 -4.245) 38.939 6.556 ( -6.319 -19.527 -23.492) 31.194 8.993 ( 11.563 58.051 1.796) 59.219 10.590 ( 5.065 6.609 -5.203) 9.818 11.383 ( -2.636 -3.155 2.596) 4.862 11.585 ( 1.985 -1.219 4.218) 4.818 15.000 ( 3.641 1.149 -15.955) 16.406 16.061 ( -6.629 -5.755 -7.980) 11.864 18.407 ( -6.024 -21.302 14.655) 26.548======================= Grid point 774 (294/580) =======================q-point: ( 0.50 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.873 ( 1.477 -0.420 0.652) 1.668 1.980 ( 0.910 0.814 1.339) 1.812 3.752 ( 4.890 -3.613 35.536) 36.052 5.700 ( -5.443 -3.884 -14.676) 16.128 6.477 ( 17.758 18.549 -11.415) 28.101 9.776 ( 15.544 47.616 2.376) 50.145 10.711 ( 3.219 4.777 -3.466) 6.723 11.343 ( -0.321 0.149 0.478) 0.595 11.631 ( 1.938 0.990 3.794) 4.374 15.009 ( 4.998 -6.015 -8.670) 11.676 15.869 ( -9.132 0.269 -11.904) 15.006 18.114 ( -7.525 -21.188 12.659) 25.803======================= Grid point 775 (295/580) =======================q-point: ( 0.56 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.894 ( 1.474 -0.582 -0.439) 1.644 2.002 ( 0.616 0.456 0.684) 1.027 3.894 ( 5.948 -6.612 29.021) 30.353 5.286 ( -15.781 -16.235 -19.257) 29.722 7.164 ( 21.586 39.241 -4.493) 45.011 10.456 ( 12.150 33.202 3.478) 35.525 10.784 ( 5.366 0.482 -2.283) 5.851 11.382 ( 2.451 3.977 -1.589) 4.934 11.690 ( 1.483 2.403 3.300) 4.343 15.013 ( 4.898 -6.751 -3.517) 9.052 15.676 ( -9.343 1.582 -12.776) 15.907 17.806 ( -7.761 -20.074 9.832) 23.662======================= Grid point 776 (296/580) =======================q-point: ( 0.61 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.910 ( 1.331 -0.595 -1.156) 1.861 2.016 ( 0.399 0.277 0.174) 0.516 3.980 ( 4.440 -10.781 19.030) 22.318 4.828 ( -13.600 -9.630 -15.038) 22.446 7.880 ( 11.266 46.237 -2.570) 47.659 10.683 ( -5.182 8.279 2.986) 10.213 11.075 ( 17.644 6.901 -1.171) 18.982 11.492 ( 6.591 3.401 -2.007) 7.684 11.744 ( 0.988 1.865 2.611) 3.357 15.002 ( -1.784 -0.685 -3.439) 3.935 15.538 ( -1.442 -1.106 -7.646) 7.859 17.508 ( -7.087 -17.891 6.064) 20.176======================= Grid point 777 (297/580) =======================q-point: ( 0.67 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.922 ( 1.103 -0.432 -1.531) 1.936 2.024 ( 0.233 0.225 -0.242) 0.405 3.886 ( -5.555 -12.934 1.242) 14.131 4.617 ( -0.281 -1.599 -1.374) 2.127 8.426 ( -4.818 50.103 -0.933) 50.342 10.655 ( -3.682 2.026 1.745) 4.551 11.326 ( 4.808 5.087 -0.380) 7.010 11.658 ( 13.507 -7.127 -1.294) 15.327 11.773 ( 1.576 -1.846 1.406) 2.806 14.899 ( -10.562 6.649 -7.428) 14.524 15.602 ( 11.613 -2.551 1.852) 12.033 17.240 ( -6.133 -15.009 1.784) 16.312======================= Grid point 778 (298/580) =======================q-point: (-0.28 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.931 ( 0.780 -0.142 -1.599) 1.785 2.028 ( 0.063 0.282 -0.619) 0.683 3.609 ( -11.762 -7.119 -5.262) 14.721 4.722 ( 11.409 -0.729 3.371) 11.919 8.670 ( -23.614 46.141 0.188) 51.833 10.632 ( -0.021 0.150 0.699) 0.715 11.390 ( -1.555 3.345 0.482) 3.720 11.745 ( 11.047 -19.703 -0.803) 22.602 11.763 ( -1.528 -0.407 0.199) 1.594 14.780 ( -8.268 8.865 -7.337) 14.169 15.869 ( 18.331 -0.112 6.166) 19.341 17.004 ( -5.438 -11.725 -1.872) 13.059======================= Grid point 779 (299/580) =======================q-point: (-0.22 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.936 ( 0.318 0.179 -1.427) 1.473 2.028 ( -0.193 0.439 -1.037) 1.142 3.340 ( -12.767 -1.385 -1.056) 12.886 4.987 ( 18.863 -0.914 0.552) 18.893 8.520 ( -37.806 31.211 -0.096) 49.025 10.670 ( 2.386 2.755 0.542) 3.685 11.327 ( -5.723 -6.493 -0.372) 8.664 11.645 ( 1.466 -16.266 0.619) 16.344 11.722 ( -6.370 3.930 -0.131) 7.486 14.771 ( 0.017 7.787 -5.162) 9.343 16.242 ( 21.966 -0.679 3.418) 22.240 16.811 ( -4.972 -6.450 -1.243) 8.239======================= Grid point 780 (300/580) =======================q-point: (-0.17 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.936 ( -0.285 0.485 -1.095) 1.231 2.023 ( -0.628 0.694 -1.565) 1.823 3.131 ( -12.994 2.195 7.505) 15.166 5.351 ( 24.319 -1.182 -3.405) 24.584 8.021 ( -43.346 13.141 -1.371) 45.314 10.756 ( 1.558 6.135 0.920) 6.396 11.000 ( -19.011 -14.185 -2.013) 23.805 11.547 ( -3.213 -2.071 3.528) 5.202 11.618 ( -8.262 1.853 -1.155) 8.546 14.899 ( 7.652 6.156 -2.905) 10.241 16.471 ( 8.663 -12.898 -18.964) 24.516 16.845 ( 10.608 8.236 18.290) 22.691======================= Grid point 781 (301/580) =======================q-point: (-0.11 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.929 ( -0.991 0.816 -0.595) 1.414 2.009 ( -1.300 1.039 -2.103) 2.682 2.972 ( -13.349 4.020 17.903) 22.691 5.759 ( 24.250 -1.850 -6.604) 25.201 7.329 ( -40.210 -0.741 -3.100) 40.336 10.412 ( -35.735 -5.139 -1.201) 36.123 10.838 ( 0.258 5.715 -0.011) 5.721 11.444 ( -6.666 -3.492 -1.161) 7.614 11.520 ( -4.495 1.819 4.011) 6.294 15.120 ( 11.294 4.898 -1.717) 12.429 16.345 ( 0.791 -10.101 -20.875) 23.204 17.269 ( 19.418 6.819 17.989) 27.334======================= Grid point 790 (302/580) =======================q-point: ( 0.39 0.39 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.827 ( -0.000 -0.116 3.499) 3.500 1.916 ( -0.000 2.035 2.783) 3.448 3.539 ( -0.000 -1.087 42.735) 42.749 4.859 ( 0.000 32.620 -4.618) 32.946 6.693 ( 0.000 -20.047 -24.000) 31.271 8.821 ( -0.000 62.352 0.360) 62.353 10.469 ( 0.000 7.033 -5.587) 8.982 11.482 ( -0.000 -2.423 2.930) 3.802 11.501 ( -0.000 -5.076 5.247) 7.300 14.932 ( 0.000 2.080 -19.495) 19.606 16.186 ( 0.000 -5.466 -5.698) 7.896 18.518 ( -0.000 -21.749 15.476) 26.693======================= Grid point 791 (303/580) =======================q-point: ( 0.44 0.39 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.838 ( 0.445 -0.370 2.734) 2.794 1.948 ( 0.743 1.283 2.059) 2.537 3.649 ( 1.149 -3.577 39.022) 39.203 5.302 ( 15.097 29.690 -3.937) 33.540 6.359 ( -3.691 -23.145 -23.551) 33.226 9.471 ( 3.230 59.205 0.826) 59.299 10.563 ( 3.971 7.448 -5.216) 9.922 11.410 ( -3.220 -2.921 3.406) 5.522 11.533 ( 3.429 -1.552 3.921) 5.435 14.870 ( 2.148 -7.167 -13.806) 15.703 16.118 ( -4.066 2.707 -9.286) 10.492 18.313 ( -3.264 -22.263 14.553) 26.797======================= Grid point 792 (304/580) =======================q-point: ( 0.50 0.39 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.851 ( 0.835 -0.601 1.704) 1.990 1.977 ( 0.810 0.722 1.374) 1.751 3.742 ( 2.620 -6.476 34.168) 34.875 5.688 ( -2.632 -3.451 -13.862) 14.526 6.228 ( 21.781 10.435 -11.485) 26.743 10.090 ( 5.406 46.779 0.581) 47.094 10.709 ( 4.150 9.473 -3.586) 10.946 11.356 ( -1.503 -0.642 1.992) 2.577 11.603 ( 3.318 1.232 3.525) 4.995 14.799 ( 4.887 -11.656 -8.174) 15.052 16.028 ( -8.239 6.500 -12.007) 15.947 18.051 ( -5.743 -22.152 13.187) 26.412======================= Grid point 793 (305/580) =======================q-point: ( 0.56 0.39 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.865 ( 1.106 -0.717 0.690) 1.488 1.998 ( 0.630 0.384 0.816) 1.100 3.813 ( 3.952 -9.636 27.990) 29.865 5.324 ( -13.031 -14.945 -18.164) 26.890 6.983 ( 35.044 28.418 -4.230) 45.316 10.556 ( 8.294 19.326 -1.021) 21.055 10.871 ( -2.137 21.089 1.107) 21.226 11.370 ( 2.003 2.634 -0.933) 3.438 11.686 ( 2.451 2.804 2.965) 4.760 14.774 ( 8.359 -12.282 -2.965) 15.150 15.886 ( -11.863 7.722 -13.294) 19.419 17.758 ( -6.898 -21.045 11.077) 24.763======================= Grid point 794 (306/580) =======================q-point: ( 0.61 0.39 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.880 ( 1.220 -0.619 -0.121) 1.374 2.012 ( 0.441 0.205 0.387) 0.621 3.846 ( 4.108 -12.505 19.447) 23.482 4.923 ( -12.725 -8.603 -14.212) 20.927 7.889 ( 33.192 33.838 -2.889) 47.487 10.741 ( 6.041 -3.235 -0.833) 6.903 11.062 ( -5.196 24.254 3.648) 25.071 11.460 ( 3.875 4.779 -3.321) 6.992 11.750 ( 1.278 1.673 2.284) 3.106 14.836 ( 11.470 -9.065 0.981) 14.653 15.699 ( -13.488 7.588 -12.360) 19.806 17.467 ( -6.760 -18.633 7.939) 21.352======================= Grid point 795 (307/580) =======================q-point: ( 0.67 0.39 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.895 ( 1.191 -0.295 -0.637) 1.383 2.021 ( 0.303 0.144 0.066) 0.342 3.807 ( 0.867 -12.614 7.728) 14.818 4.658 ( -7.259 -2.159 -6.026) 9.678 8.758 ( 22.770 41.254 -1.678) 47.150 10.757 ( -0.931 -1.531 0.603) 1.891 11.138 ( -0.368 -1.702 1.309) 2.178 11.545 ( 1.401 3.633 -2.068) 4.408 11.790 ( 1.352 1.562 1.417) 2.505 14.976 ( 8.609 -1.385 1.313) 8.818 15.529 ( -7.815 4.784 -7.589) 11.898 17.204 ( -5.966 -14.965 4.075) 16.618======================= Grid point 796 (308/580) =======================q-point: ( 0.72 0.39 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.911 ( 1.021 0.143 -0.845) 1.333 2.027 ( 0.197 0.186 -0.175) 0.322 3.678 ( -4.844 -6.952 -0.696) 8.502 4.596 ( 2.360 -0.840 0.421) 2.540 9.421 ( -2.145 48.596 -0.030) 48.644 10.678 ( -6.486 -0.023 -0.414) 6.500 11.071 ( 13.272 -29.063 -0.653) 31.956 11.576 ( -1.077 2.927 1.302) 3.380 11.830 ( 0.083 2.401 -0.242) 2.415 15.020 ( -7.633 7.556 -3.012) 11.154 15.573 ( 12.524 -1.250 0.636) 12.602 16.988 ( -5.115 -10.138 0.848) 11.387======================= Grid point 797 (309/580) =======================q-point: (-0.22 0.39 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.927 ( 0.696 0.518 -0.813) 1.189 2.030 ( 0.062 0.320 -0.400) 0.516 3.522 ( -8.462 0.074 -0.038) 8.462 4.705 ( 11.274 -1.892 0.017) 11.432 9.475 ( -37.082 27.841 0.144) 46.370 10.653 ( 3.110 3.506 -0.887) 4.770 11.069 ( 17.155 -23.704 -1.289) 29.289 11.581 ( -1.678 1.616 3.796) 4.454 11.820 ( -2.871 0.575 -2.044) 3.571 14.926 ( -8.894 7.652 -1.440) 11.820 15.850 ( 19.600 -3.940 -1.105) 20.022 16.841 ( -3.581 -3.340 1.232) 5.049======================= Grid point 798 (310/580) =======================q-point: (-0.17 0.39 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.940 ( 0.247 0.753 -0.642) 1.020 2.032 ( -0.184 0.529 -0.719) 0.911 3.393 ( -10.296 4.761 6.418) 13.033 4.940 ( 18.774 -2.735 -3.715) 19.333 8.857 ( -44.509 -0.944 -1.487) 44.544 10.723 ( 2.202 -2.645 -0.798) 3.533 11.138 ( -0.050 4.845 -0.146) 4.847 11.580 ( -1.156 -0.137 4.977) 5.111 11.729 ( -5.336 -2.055 -3.461) 6.684 14.899 ( -1.198 5.584 1.310) 5.859 16.082 ( 15.181 -9.790 -12.294) 21.851 16.852 ( 3.221 5.790 9.208) 11.344======================= Grid point 799 (311/580) =======================q-point: (-0.11 0.39 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.947 ( -0.251 0.905 -0.349) 1.002 2.029 ( -0.590 0.786 -1.174) 1.531 3.296 ( -11.505 7.000 15.278) 20.366 5.271 ( 24.396 -3.474 -7.814) 25.851 7.994 ( -43.548 -14.327 -2.651) 45.921 10.642 ( -4.976 -8.827 -2.468) 10.429 11.138 ( -13.729 19.448 1.581) 23.858 11.503 ( -6.148 -6.096 0.770) 8.692 11.633 ( -4.430 2.416 1.248) 5.198 15.005 ( 6.763 3.698 2.287) 8.040 16.106 ( 6.750 -10.528 -20.430) 23.954 17.116 ( 12.902 8.276 15.017) 21.458======================= Grid point 809 (312/580) =======================q-point: ( 0.44 0.44 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.839 ( -0.000 -0.658 2.902) 2.976 1.958 ( -0.000 0.950 1.698) 1.945 3.703 ( -0.000 -6.596 36.355) 36.948 5.435 ( 0.000 26.729 -3.576) 26.967 6.078 ( 0.000 -24.257 -22.958) 33.399 10.022 ( -0.000 53.315 -0.322) 53.316 10.584 ( 0.000 7.506 -5.134) 9.094 11.431 ( -0.000 -5.014 5.195) 7.220 11.507 ( -0.000 4.950 2.851) 5.713 14.716 ( 0.000 -11.691 -10.971) 16.033 16.177 ( 0.000 7.000 -10.704) 12.790 18.159 ( -0.000 -22.651 14.159) 26.712======================= Grid point 810 (313/580) =======================q-point: ( 0.50 0.44 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.841 ( 0.267 -0.928 2.595) 2.769 1.975 ( 0.524 0.565 1.251) 1.469 3.731 ( 0.850 -9.874 32.093) 33.589 5.654 ( -4.593 -7.438 -15.013) 17.373 5.927 ( 18.630 9.934 -9.068) 22.979 10.462 ( -1.612 31.656 -2.129) 31.769 10.724 ( 7.158 15.102 -4.366) 17.274 11.388 ( -1.012 -2.318 4.853) 5.472 11.617 ( 0.806 11.581 3.783) 12.210 14.581 ( 2.556 -13.504 -7.326) 15.574 16.183 ( -4.507 8.627 -12.111) 15.538 17.946 ( -3.157 -22.433 13.385) 26.313======================= Grid point 811 (314/580) =======================q-point: ( 0.56 0.44 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.846 ( 0.622 -1.021 1.981) 2.314 1.993 ( 0.619 0.271 0.825) 1.067 3.730 ( 2.088 -12.821 26.023) 29.085 5.327 ( -9.417 -12.949 -16.816) 23.220 6.580 ( 34.922 19.819 -3.339) 40.293 10.612 ( -0.100 8.423 -2.413) 8.763 11.055 ( 8.503 19.504 -4.638) 21.776 11.397 ( 0.381 2.456 4.931) 5.522 11.761 ( -2.986 16.775 3.713) 17.438 14.502 ( 6.225 -13.604 -3.089) 15.277 16.120 ( -8.878 9.543 -13.008) 18.415 17.688 ( -5.352 -21.321 11.974) 25.032======================= Grid point 812 (315/580) =======================q-point: ( 0.61 0.44 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.855 ( 0.969 -0.790 1.288) 1.795 2.007 ( 0.513 0.101 0.472) 0.704 3.705 ( 3.148 -14.194 18.203) 23.297 5.010 ( -10.444 -6.276 -12.418) 17.398 7.460 ( 43.145 20.147 -2.343) 47.675 10.656 ( 1.040 0.490 -0.975) 1.507 11.333 ( 6.994 11.556 -6.024) 14.790 11.471 ( -0.526 8.146 5.760) 9.990 11.830 ( -7.906 12.212 2.298) 14.728 14.525 ( 11.501 -11.099 0.817) 16.004 15.992 ( -12.747 10.331 -12.320) 20.518 17.416 ( -6.014 -18.883 9.452) 21.956======================= Grid point 813 (316/580) =======================q-point: ( 0.67 0.44 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.872 ( 1.163 -0.263 0.694) 1.380 2.016 ( 0.396 0.036 0.216) 0.452 3.668 ( 3.243 -12.485 9.540) 16.044 4.772 ( -9.391 -0.805 -6.722) 11.577 8.441 ( 45.596 21.288 -1.647) 50.348 10.662 ( 1.879 -3.807 0.278) 4.254 11.446 ( -12.250 10.791 -1.572) 16.401 11.536 ( 0.521 5.468 1.290) 5.642 11.777 ( -1.601 -0.040 0.910) 1.842 14.689 ( 16.407 -6.202 2.774) 17.758 15.817 ( -15.304 10.291 -9.040) 20.539 17.168 ( -5.341 -14.767 5.638) 16.684======================= Grid point 814 (317/580) =======================q-point: ( 0.72 0.44 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.894 ( 1.148 0.331 0.282) 1.227 2.023 ( 0.323 0.065 0.065) 0.336 3.630 ( 1.953 -7.293 2.484) 7.948 4.629 ( -5.764 1.249 -1.781) 6.161 9.436 ( 42.742 23.218 -1.019) 48.652 10.648 ( 2.419 -7.739 1.139) 8.188 11.070 ( -30.244 -3.091 -0.179) 30.402 11.610 ( 1.502 2.875 -0.008) 3.244 11.813 ( 2.917 -0.064 -0.027) 2.918 14.952 ( 16.095 -2.139 1.760) 16.332 15.631 ( -13.493 8.226 -3.486) 16.182 16.976 ( -4.054 -8.923 1.641) 9.938======================= Grid point 815 (318/580) =======================q-point: (-0.22 0.44 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.918 ( 0.930 0.742 0.019) 1.190 2.030 ( 0.264 0.185 -0.024) 0.323 3.607 ( -0.686 -0.279 0.011) 0.741 4.587 ( 0.514 0.245 -0.001) 0.570 10.322 ( -32.892 -18.631 0.606) 37.807 10.358 ( 36.736 20.955 -0.471) 42.295 10.680 ( -2.387 -1.447 -0.560) 2.847 11.639 ( -0.983 1.296 2.502) 2.985 11.829 ( -0.006 -1.984 -2.112) 2.898 15.112 ( -0.318 1.043 0.103) 1.095 15.574 ( 3.954 2.114 -0.075) 4.484 16.868 ( -2.174 -1.746 0.004) 2.788======================= Grid point 816 (319/580) =======================q-point: (-0.17 0.44 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.940 ( 0.582 0.901 -0.145) 1.083 2.036 ( 0.137 0.374 -0.175) 0.435 3.598 ( -4.254 5.824 3.404) 7.975 4.655 ( 8.736 -2.002 -2.320) 9.258 9.454 ( -37.408 -28.248 -0.910) 46.884 10.645 ( 1.240 -4.912 -0.334) 5.077 11.111 ( 19.362 28.021 0.139) 34.060 11.625 ( -2.074 -0.294 5.109) 5.521 11.753 ( -3.294 -5.084 -4.601) 7.608 15.031 ( -7.103 1.067 3.252) 7.884 15.729 ( 12.154 -3.781 -6.392) 14.244 16.883 ( 1.861 5.312 2.865) 6.316======================= Grid point 817 (320/580) =======================q-point: (-0.11 0.44 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.955 ( 0.210 0.927 -0.167) 0.965 2.040 ( -0.129 0.588 -0.516) 0.793 3.592 ( -7.767 9.216 10.920) 16.263 4.837 ( 17.165 -4.035 -7.128) 19.019 8.485 ( -38.561 -30.930 -1.752) 49.464 10.603 ( -0.463 -4.714 -0.944) 4.830 11.477 ( -4.133 12.466 1.241) 13.192 11.545 ( -6.895 -8.236 -0.662) 10.761 11.735 ( 2.927 15.228 1.063) 15.544 14.974 ( -0.115 -0.932 4.143) 4.248 15.828 ( 8.195 -5.606 -13.359) 16.645 17.058 ( 7.917 8.423 7.682) 13.880======================= Grid point 828 (321/580) =======================q-point: ( 0.50 0.50 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.837 ( -0.000 -1.307 3.137) 3.398 1.979 ( -0.000 0.347 1.002) 1.060 3.699 ( -0.000 -13.419 28.541) 31.538 5.523 ( 0.000 -16.812 -18.899) 25.295 5.878 ( 0.000 19.026 -2.562) 19.197 10.704 ( 0.000 7.261 -4.589) 8.589 10.785 ( 0.000 21.448 -4.351) 21.885 11.362 ( -0.000 -4.928 5.007) 7.025 11.844 ( -0.000 27.856 5.746) 28.442 14.402 ( 0.000 -13.938 -5.221) 14.884 16.276 ( 0.000 9.330 -12.761) 15.808 17.790 ( -0.000 -22.049 13.202) 25.699======================= Grid point 829 (322/580) =======================q-point: ( 0.56 0.50 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.834 ( 0.240 -1.448 3.210) 3.529 1.988 ( 0.438 0.120 0.716) 0.848 3.636 ( 0.819 -15.646 22.807) 27.670 5.289 ( -4.788 -9.581 -14.728) 18.211 6.235 ( 21.572 14.684 -2.192) 26.187 10.714 ( -3.647 6.425 -3.275) 8.081 11.010 ( 8.374 9.089 -6.244) 13.846 11.359 ( 3.470 -3.444 4.911) 6.930 12.129 ( -5.327 31.215 5.824) 32.198 14.277 ( 3.069 -13.462 -1.933) 13.942 16.295 ( -4.381 10.263 -13.459) 17.483 17.586 ( -2.972 -20.868 12.468) 24.490======================= Grid point 830 (323/580) =======================q-point: ( 0.61 0.50 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.838 ( 0.673 -1.101 2.869) 3.146 1.999 ( 0.562 -0.046 0.456) 0.725 3.562 ( 2.184 -15.169 15.672) 21.920 5.085 ( -7.295 -2.721 -9.910) 12.603 6.885 ( 37.895 11.449 -1.476) 39.614 10.692 ( -3.187 2.664 -1.445) 4.398 11.217 ( 9.831 4.622 -7.295) 13.085 11.447 ( 6.926 -0.802 4.662) 8.387 12.262 ( -13.720 22.771 4.323) 26.934 14.248 ( 7.977 -10.180 1.784) 13.056 16.252 ( -8.590 11.722 -12.982) 19.486 17.352 ( -4.746 -18.610 10.673) 21.972======================= Grid point 831 (324/580) =======================q-point: ( 0.67 0.50 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.853 ( 1.068 -0.370 2.293) 2.557 2.009 ( 0.519 -0.123 0.263) 0.595 3.510 ( 3.585 -12.082 8.512) 15.208 4.920 ( -8.815 2.260 -5.304) 10.533 7.739 ( 48.203 8.214 -0.796) 48.905 10.654 ( -2.308 0.035 -0.027) 2.309 11.395 ( 8.624 2.532 -6.885) 11.322 11.588 ( 7.271 0.471 4.137) 8.379 12.110 ( -22.700 8.439 2.521) 24.348 14.373 ( 13.671 -4.337 3.940) 14.874 16.154 ( -12.887 12.408 -9.577) 20.292 17.126 ( -4.599 -14.587 6.898) 16.778======================= Grid point 832 (325/580) =======================q-point: (-0.28 -0.50 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.880 ( 1.207 0.360 1.647) 2.074 2.017 ( 0.472 -0.111 0.183) 0.518 3.500 ( 4.747 -7.535 2.378) 9.218 4.790 ( -9.189 5.023 -1.459) 10.573 8.676 ( 52.169 1.804 -0.216) 52.201 10.620 ( -1.359 -0.145 0.767) 1.567 11.480 ( -3.770 -1.343 -4.839) 6.279 11.679 ( -9.504 2.644 4.789) 10.966 11.756 ( -5.665 -2.262 -0.615) 6.131 14.633 ( 16.876 -0.879 3.096) 17.180 15.994 ( -16.436 10.528 -2.735) 19.709 16.957 ( -2.908 -7.945 1.290) 8.559======================= Grid point 833 (326/580) =======================q-point: (-0.22 -0.50 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.910 ( 1.077 0.794 0.997) 1.668 2.025 ( 0.460 -0.003 0.213) 0.507 3.540 ( 5.621 -2.649 -1.868) 6.489 4.693 ( -8.153 5.798 1.279) 10.086 9.471 ( 42.531 -19.981 0.562) 46.994 10.637 ( 1.501 6.165 0.630) 6.376 11.057 ( -28.321 2.212 -0.015) 28.407 11.645 ( 1.194 0.940 -1.323) 2.015 11.780 ( 2.106 -3.438 0.723) 4.096 14.916 ( 14.905 -1.537 -0.174) 14.985 15.796 ( -15.878 7.348 4.457) 18.054 16.881 ( -0.881 -0.031 -2.902) 3.033======================= Grid point 834 (327/580) =======================q-point: (-0.17 -0.50 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.937 ( 0.789 0.906 0.397) 1.265 2.034 ( 0.414 0.188 0.224) 0.507 3.628 ( 5.673 1.924 -3.167) 6.776 4.634 ( -5.144 4.717 2.245) 7.332 9.445 ( -5.191 -46.964 0.994) 47.260 10.646 ( -5.113 -1.616 -0.600) 5.396 11.109 ( 15.030 30.947 0.600) 34.409 11.655 ( -0.210 -0.257 0.383) 0.507 11.728 ( -2.208 -6.843 -0.901) 7.246 15.056 ( 3.869 -4.494 -2.176) 6.317 15.671 ( -6.187 5.160 6.070) 10.087 16.910 ( 1.682 6.264 -2.969) 7.133======================= Grid point 835 (328/580) =======================q-point: (-0.11 0.50 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1467Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.958 ( 0.495 0.857 -0.000) 0.989 2.043 ( 0.232 0.401 0.000) 0.463 3.746 ( 3.454 5.983 -0.000) 6.909 4.631 ( 0.988 1.712 0.000) 1.977 8.668 ( -25.764 -44.624 -0.000) 51.527 10.579 ( -1.193 -2.067 -0.000) 2.386 11.562 ( -6.131 -10.619 -0.000) 12.261 11.563 ( 1.094 1.895 0.000) 2.188 11.804 ( 14.673 25.414 -0.000) 29.346 14.985 ( -3.244 -5.619 -0.000) 6.489 15.695 ( 1.467 2.541 0.000) 2.934 17.044 ( 5.198 9.004 -0.000) 10.397======================= Grid point 848 (329/580) =======================q-point: ( 0.56 0.56 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.827 ( -0.000 -1.694 4.090) 4.427 1.986 ( -0.000 -0.050 0.527) 0.529 3.526 ( -0.000 -16.560 17.929) 24.407 5.221 ( 0.000 -3.974 -11.049) 11.742 6.162 ( 0.000 10.320 -1.398) 10.414 10.816 ( 0.000 6.418 -3.885) 7.502 10.971 ( 0.000 4.701 -5.984) 7.610 11.291 ( -0.000 -5.068 4.480) 6.764 12.506 ( -0.000 27.901 5.791) 28.495 14.119 ( 0.000 -11.640 0.783) 11.666 16.399 ( 0.000 11.437 -14.240) 18.265 17.446 ( -0.000 -19.623 12.446) 23.237======================= Grid point 849 (330/580) =======================q-point: ( 0.61 0.56 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.827 ( 0.387 -1.363 4.326) 4.552 1.990 ( 0.423 -0.213 0.340) 0.583 3.423 ( 1.272 -14.575 11.884) 18.849 5.152 ( -3.733 2.115 -6.648) 7.913 6.435 ( 21.961 5.873 -0.773) 22.746 10.797 ( -5.410 3.743 -2.236) 6.949 11.077 ( 7.860 3.394 -7.121) 11.136 11.311 ( 6.267 -4.020 3.946) 8.426 12.669 ( -8.373 13.884 4.092) 16.722 14.071 ( 3.955 -5.054 4.696) 7.952 16.446 ( -3.941 13.460 -14.297) 20.027 17.269 ( -2.747 -17.621 11.554) 21.249======================= Grid point 850 (331/580) =======================q-point: (-0.33 -0.44 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.841 ( 0.902 -0.570 3.915) 4.057 1.997 ( 0.602 -0.325 0.211) 0.716 3.357 ( 3.006 -10.973 5.718) 12.733 5.091 ( -6.948 6.851 -2.836) 10.161 7.011 ( 39.093 1.394 -0.049) 39.118 10.724 ( -4.820 1.244 -0.492) 5.002 11.236 ( 9.231 2.217 -7.430) 12.055 11.434 ( 9.600 -2.650 3.192) 10.458 12.507 ( -16.696 -3.124 2.392) 17.154 14.188 ( 7.942 3.147 7.162) 11.148 16.445 ( -8.362 14.981 -11.392) 20.594 17.077 ( -3.814 -14.358 8.369) 17.051======================= Grid point 851 (332/580) =======================q-point: (-0.28 -0.44 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.869 ( 1.213 0.178 3.102) 3.336 2.005 ( 0.643 -0.352 0.200) 0.759 3.342 ( 4.884 -7.447 0.035) 8.905 5.029 ( -9.519 10.080 0.288) 13.868 7.771 ( 48.391 -5.112 0.609) 48.664 10.665 ( -2.839 1.005 0.416) 3.041 11.376 ( 7.388 -0.580 -6.446) 9.822 11.584 ( 8.939 -2.644 2.826) 9.741 12.089 ( -21.536 -11.748 1.450) 24.575 14.425 ( 10.717 6.176 6.334) 13.897 16.369 ( -14.183 11.893 -2.134) 18.632 16.926 ( -1.901 -6.844 0.122) 7.105======================= Grid point 852 (333/580) =======================q-point: (-0.22 -0.44 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.902 ( 1.196 0.605 2.078) 2.473 2.014 ( 0.683 -0.270 0.362) 0.819 3.377 ( 6.995 -4.735 -4.843) 9.737 4.964 ( -11.250 12.075 2.952) 16.766 8.507 ( 45.791 -18.290 1.309) 49.326 10.667 ( 0.675 3.949 0.499) 4.037 11.344 ( -8.223 -11.104 -1.813) 13.936 11.681 ( -6.391 -3.587 -3.236) 8.011 11.688 ( 3.001 -3.636 3.557) 5.906 14.697 ( 11.443 5.359 2.923) 12.969 16.182 ( -17.598 5.623 8.471) 20.324 16.885 ( 0.197 3.307 -7.887) 8.555======================= Grid point 853 (334/580) =======================q-point: (-0.17 -0.44 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.932 ( 0.953 0.714 0.993) 1.551 2.026 ( 0.704 -0.069 0.586) 0.918 3.461 ( 9.411 -2.976 -8.611) 13.098 4.899 ( -12.113 13.010 5.281) 18.544 8.841 ( 21.385 -39.568 2.072) 45.025 10.720 ( -3.548 0.081 -0.033) 3.550 11.135 ( 4.705 3.212 0.621) 5.731 11.630 ( 0.751 -1.009 -5.914) 6.046 11.693 ( 0.156 -5.712 4.347) 7.179 14.913 ( 7.637 2.450 -1.707) 8.200 15.962 ( -15.543 3.556 13.831) 21.107 16.938 ( 1.500 9.223 -9.617) 13.408======================= Grid point 867 (335/580) =======================q-point: (-0.39 -0.39 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.824 ( -0.000 -1.244 5.196) 5.342 1.984 ( -0.000 -0.385 0.175) 0.422 3.304 ( -0.000 -12.177 7.019) 14.055 5.220 ( 0.000 7.773 -2.954) 8.315 6.272 ( 0.000 1.060 -0.320) 1.107 10.913 ( 0.000 5.093 -2.455) 5.654 10.986 ( 0.000 1.182 -6.730) 6.833 11.210 ( -0.000 -5.210 3.117) 6.071 12.801 ( -0.000 -5.078 2.292) 5.571 14.060 ( -0.000 5.842 8.945) 10.683 16.581 ( 0.000 15.847 -15.417) 22.109 17.161 ( -0.000 -15.954 11.910) 19.909======================= Grid point 868 (336/580) =======================q-point: (-0.33 -0.39 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.835 ( 0.576 -0.738 5.176) 5.260 1.984 ( 0.463 -0.547 0.060) 0.719 3.225 ( 1.746 -9.261 1.661) 9.569 5.283 ( -4.340 12.708 0.190) 13.430 6.457 ( 22.278 -3.486 0.278) 22.551 10.835 ( -6.760 0.843 -1.284) 6.932 11.091 ( 7.499 2.559 -7.042) 10.601 11.245 ( 8.088 -4.463 2.278) 9.514 12.602 ( -7.367 -20.482 1.388) 21.811 14.213 ( 2.216 12.694 11.138) 17.032 16.676 ( -3.537 18.222 -14.566) 23.595 17.020 ( -2.646 -13.905 10.728) 17.761======================= Grid point 869 (337/580) =======================q-point: (-0.28 -0.39 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.860 ( 1.093 -0.228 4.451) 4.589 1.988 ( 0.745 -0.649 0.092) 0.992 3.187 ( 3.738 -7.239 -3.569) 8.894 5.320 ( -8.392 15.910 2.467) 18.156 6.940 ( 38.309 -8.612 1.024) 39.279 10.733 ( -4.359 -0.481 -0.155) 4.388 11.220 ( 7.417 0.048 -6.557) 9.900 11.380 ( 10.844 -4.137 1.670) 11.726 12.189 ( -12.024 -26.421 1.113) 29.049 14.431 ( 3.539 13.563 10.426) 17.470 16.705 ( -10.725 11.887 0.487) 16.017 16.888 ( -0.721 -3.893 -3.625) 5.368======================= Grid point 870 (338/580) =======================q-point: (-0.22 -0.39 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.892 ( 1.294 0.110 3.247) 3.497 1.997 ( 0.921 -0.634 0.397) 1.186 3.186 ( 6.052 -6.333 -8.292) 12.062 5.327 ( -11.484 17.870 4.341) 21.681 7.549 ( 43.445 -17.224 1.681) 46.765 10.690 ( -0.091 0.694 0.096) 0.707 11.251 ( 1.232 -11.855 -3.335) 12.377 11.523 ( 9.290 -4.711 1.839) 10.577 11.744 ( -9.121 -17.883 -1.308) 20.118 14.663 ( 4.756 12.400 7.350) 15.179 16.533 ( -14.771 -2.042 15.863) 21.772 16.915 ( -0.155 12.816 -16.979) 21.273======================= Grid point 871 (339/580) =======================q-point: (-0.17 -0.39 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.923 ( 1.147 0.261 1.693) 2.062 2.011 ( 1.054 -0.442 0.956) 1.490 3.221 ( 8.793 -6.174 -12.259) 16.301 5.308 ( -13.688 18.996 6.102) 24.196 8.004 ( 32.876 -31.530 2.359) 45.612 10.759 ( 3.031 4.493 0.141) 5.422 10.989 ( -1.374 -23.754 0.494) 23.799 11.577 ( 0.994 -5.248 -1.876) 5.661 11.610 ( 4.174 -4.440 -0.523) 6.117 14.875 ( 4.122 10.322 2.532) 11.399 16.298 ( -15.005 -2.250 19.086) 24.382 17.005 ( -0.264 15.626 -16.944) 23.051======================= Grid point 886 (340/580) =======================q-point: (-0.33 -0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.838 ( -0.000 -0.802 5.703) 5.759 1.972 ( 0.000 -0.781 -0.110) 0.789 3.122 ( 0.000 -7.775 -3.062) 8.356 5.490 ( -0.000 18.890 3.098) 19.142 6.198 ( 0.000 -8.399 0.301) 8.404 10.937 ( 0.000 -2.397 -7.513) 7.886 10.984 ( -0.000 1.227 2.642) 2.913 11.127 ( 0.000 -2.694 -1.868) 3.278 12.398 ( 0.000 -31.355 1.234) 31.380 14.387 ( -0.000 16.256 13.277) 20.989 16.845 ( 0.000 18.690 -19.760) 27.198 16.955 ( -0.000 -10.691 15.373) 18.725======================= Grid point 887 (341/580) =======================q-point: (-0.28 -0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.853 ( 0.715 -0.814 5.449) 5.555 1.968 ( 0.580 -0.995 -0.138) 1.160 3.048 ( 1.946 -7.322 -7.737) 10.829 5.649 ( -6.578 21.163 4.457) 22.605 6.305 ( 22.754 -11.290 1.074) 25.423 10.791 ( -5.297 -5.578 -2.495) 8.087 11.083 ( 6.859 -3.184 -0.434) 7.575 11.170 ( 7.149 -1.105 -3.470) 8.024 12.024 ( -4.630 -33.478 1.206) 33.819 14.594 ( 0.199 16.154 13.210) 20.869 16.832 ( -1.943 -10.136 6.831) 12.377 16.997 ( -4.036 20.838 -10.925) 23.872======================= Grid point 888 (342/580) =======================q-point: (-0.22 -0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.878 ( 1.273 -0.734 4.475) 4.710 1.972 ( 1.065 -1.110 0.228) 1.555 2.995 ( 4.182 -7.823 -11.917) 14.856 5.727 ( -9.563 20.286 4.880) 22.952 6.700 ( 34.529 -14.649 2.141) 37.569 10.652 ( -0.177 -10.953 -2.286) 11.190 11.092 ( 1.543 -13.670 1.093) 13.800 11.303 ( 10.084 -2.184 -2.208) 10.551 11.649 ( -3.914 -20.577 -0.833) 20.962 14.795 ( 0.396 15.372 11.028) 18.923 16.688 ( -5.978 -10.368 13.700) 18.191 17.098 ( -4.934 22.747 -16.393) 28.469======================= Grid point 889 (343/580) =======================q-point: (-0.17 -0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.907 ( 1.386 -0.545 2.615) 3.010 1.985 ( 1.468 -1.009 1.256) 2.179 2.967 ( 6.939 -8.720 -15.390) 19.001 5.760 ( -11.794 20.247 5.650) 24.103 7.135 ( 33.848 -23.507 2.719) 41.300 10.540 ( 8.818 -26.422 -2.445) 27.962 10.887 ( -6.073 -11.042 3.595) 13.104 11.431 ( 7.987 -4.631 0.214) 9.234 11.516 ( 1.307 -4.495 -4.304) 6.359 14.979 ( 0.367 14.223 6.891) 15.808 16.510 ( -8.746 -8.180 17.675) 21.350 17.186 ( -4.764 22.053 -17.875) 28.784======================= Grid point 905 (344/580) =======================q-point: (-0.28 -0.28 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.853 ( -0.000 -1.453 5.905) 6.081 1.950 ( 0.000 -1.373 -0.349) 1.417 2.925 ( 0.000 -8.037 -11.797) 14.275 5.939 ( 0.000 -17.477 0.300) 17.480 5.997 ( -0.000 27.944 6.458) 28.680 10.716 ( 0.000 -19.562 -7.427) 20.924 10.946 ( -0.000 -7.512 7.818) 10.842 11.132 ( 0.000 5.275 -6.846) 8.642 11.738 ( 0.000 -29.418 0.897) 29.432 14.799 ( -0.000 16.073 14.023) 21.331 16.771 ( -0.000 -8.838 5.093) 10.201 17.215 ( 0.000 21.252 -9.383) 23.231======================= Grid point 906 (345/580) =======================q-point: (-0.22 -0.28 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.861 ( 0.918 -1.908 5.633) 6.018 1.941 ( 0.850 -1.701 -0.178) 1.910 2.814 ( 2.008 -9.317 -15.316) 18.040 5.853 ( 9.782 -15.604 0.574) 18.426 6.326 ( 3.756 23.400 6.750) 24.642 10.408 ( 0.352 -35.752 -5.061) 36.110 10.930 ( 3.628 -10.408 6.784) 12.943 11.190 ( 2.733 4.439 -5.715) 7.735 11.501 ( -0.330 -14.177 -1.232) 14.235 14.994 ( -0.665 15.601 12.829) 20.209 16.683 ( -1.959 -8.999 7.274) 11.736 17.368 ( -3.788 22.157 -10.760) 24.921======================= Grid point 907 (346/580) =======================q-point: (-0.17 -0.28 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.879 ( 1.577 -1.908 3.961) 4.670 1.946 ( 1.773 -1.861 1.162) 2.820 2.718 ( 4.460 -10.789 -18.170) 21.597 5.919 ( 12.159 -12.637 1.248) 17.581 6.630 ( 6.841 14.208 6.499) 17.056 10.019 ( 6.080 -47.770 -2.922) 48.244 10.880 ( -0.493 -7.124 5.376) 8.938 11.277 ( 5.387 0.681 -3.243) 6.325 11.436 ( 2.030 -3.034 -3.415) 4.999 15.165 ( -1.355 14.915 9.784) 17.889 16.570 ( -3.800 -8.595 10.747) 14.277 17.469 ( -6.157 22.363 -12.581) 26.388======================= Grid point 924 (347/580) =======================q-point: (-0.22 -0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.844 ( -0.000 -3.240 6.364) 7.141 1.911 ( 0.000 -2.343 -0.531) 2.403 2.646 ( 0.000 -10.736 -18.084) 21.031 5.508 ( 0.000 -25.225 -0.163) 25.226 6.649 ( -0.000 31.726 7.370) 32.570 9.933 ( 0.000 -52.310 -4.378) 52.493 10.824 ( -0.000 -8.345 5.902) 10.221 11.214 ( 0.000 5.991 -4.788) 7.669 11.391 ( 0.000 -6.354 -2.445) 6.809 15.194 ( -0.000 15.127 12.531) 19.643 16.632 ( -0.000 -8.258 5.873) 10.134 17.592 ( 0.000 21.436 -9.067) 23.275======================= Grid point 925 (348/580) =======================q-point: (-0.17 -0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.837 ( 1.383 -4.240 5.721) 7.254 1.895 ( 1.455 -2.948 0.221) 3.295 2.490 ( 1.870 -11.919 -20.073) 23.420 5.379 ( 15.362 -28.239 -0.322) 32.149 6.948 ( -4.423 30.195 7.449) 31.414 9.381 ( 3.598 -59.295 -3.415) 59.502 10.788 ( 2.982 -7.932 5.164) 9.923 11.254 ( -0.105 4.548 -3.857) 5.964 11.370 ( 2.179 -0.465 -3.436) 4.095 15.367 ( -1.206 14.322 10.504) 17.802 16.557 ( -1.460 -7.759 6.805) 10.424 17.744 ( -3.750 20.926 -8.990) 23.082======================= Grid point 943 (349/580) =======================q-point: (-0.17 -0.17 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.782 ( -0.000 -7.726 6.225) 9.922 1.845 ( 0.000 -4.045 -0.593) 4.088 2.295 ( 0.000 -11.599 -20.184) 23.279 4.941 ( 0.000 -30.427 -0.777) 30.437 7.310 ( -0.000 27.375 8.194) 28.576 8.713 ( 0.000 -63.173 -4.595) 63.340 10.691 ( -0.000 -7.730 4.179) 8.788 11.308 ( 0.000 5.692 -3.155) 6.508 11.338 ( 0.000 1.356 -3.640) 3.884 15.548 ( -0.000 13.155 9.235) 16.073 16.513 ( -0.000 -6.977 5.698) 9.008 17.957 ( 0.000 19.637 -7.170) 20.905======================= Grid point 1040 (350/580) =======================q-point: ( 0.17 0.17 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 570Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.402 ( -0.000 -0.000 15.295) 15.295 0.402 ( -0.000 -0.000 15.295) 15.295 2.134 ( -0.000 -0.000 76.968) 76.968 2.694 ( 0.000 0.000 -12.229) 12.229 2.694 ( 0.000 0.000 -12.229) 12.229 8.977 ( 0.000 0.000 -25.459) 25.459 10.238 ( 0.000 0.000 -5.819) 5.819 10.238 ( 0.000 0.000 -5.819) 5.819 11.685 ( -0.000 -0.000 5.714) 5.714 11.685 ( -0.000 -0.000 5.714) 5.714 19.145 ( -0.000 -0.000 6.352) 6.352 20.290 ( 0.000 0.000 -2.850) 2.850======================= Grid point 1041 (351/580) =======================q-point: ( 0.22 0.17 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.812 ( 23.431 13.528 11.018) 29.214 1.136 ( 30.057 17.353 11.102) 36.439 2.374 ( 1.302 0.752 66.333) 66.350 2.720 ( 6.621 3.823 -13.578) 15.582 3.046 ( 34.439 19.884 -6.549) 40.303 8.769 ( -7.719 -4.457 -23.321) 24.967 10.238 ( 1.366 0.788 -6.019) 6.222 11.511 ( 32.816 18.946 -24.354) 45.044 11.684 ( -1.295 -0.748 5.825) 6.014 11.895 ( 54.766 31.619 -34.022) 71.810 18.864 ( -29.928 -17.279 10.512) 36.121 19.730 ( -27.592 -15.930 25.222) 40.636======================= Grid point 1042 (352/580) =======================q-point: ( 0.28 0.17 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.349 ( 18.329 10.582 10.286) 23.532 1.607 ( 10.296 5.944 9.862) 15.446 2.612 ( 3.520 2.032 58.188) 58.330 2.945 ( 16.959 9.791 -13.540) 23.808 4.180 ( 59.857 34.558 -2.581) 69.165 8.471 ( -12.131 -7.004 -23.906) 27.707 10.266 ( 2.625 1.515 -6.166) 6.871 11.586 ( -2.775 -1.602 3.840) 5.002 11.661 ( -2.239 -1.293 5.807) 6.356 13.289 ( 57.208 33.029 -61.256) 90.089 18.034 ( -38.489 -22.222 17.934) 47.926 19.391 ( -13.005 -7.508 22.721) 27.235======================= Grid point 1043 (353/580) =======================q-point: ( 0.33 0.17 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.692 ( 9.179 5.300 7.812) 13.167 1.785 ( 4.433 2.560 5.467) 7.490 2.893 ( 5.874 3.391 55.453) 55.866 3.425 ( 26.739 15.438 -10.278) 32.542 5.642 ( 64.746 37.381 -2.650) 74.809 8.061 ( -16.929 -9.774 -23.007) 30.190 10.323 ( 3.891 2.246 -6.278) 7.720 11.512 ( -4.412 -2.548 4.703) 6.934 11.618 ( -2.916 -1.683 5.749) 6.662 14.177 ( 34.736 20.055 -43.755) 59.357 17.287 ( -29.480 -17.020 9.671) 35.388 19.159 ( -13.068 -7.545 19.407) 24.583======================= Grid point 1044 (354/580) =======================q-point: ( 0.39 0.17 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.856 ( 4.127 2.383 4.788) 6.756 1.877 ( 2.836 1.637 1.905) 3.788 3.211 ( 7.483 4.320 51.154) 51.879 4.071 ( 30.019 17.331 -6.449) 35.258 7.020 ( 42.253 24.395 -12.952) 50.480 7.638 ( -1.907 -1.101 -11.674) 11.880 10.406 ( 4.821 2.783 -6.313) 8.417 11.425 ( -3.827 -2.209 4.663) 6.424 11.564 ( -3.130 -1.807 5.671) 6.725 14.692 ( 19.902 11.490 -29.480) 37.379 16.716 ( -21.266 -12.278 0.683) 24.565 18.896 ( -14.210 -8.204 16.649) 23.375======================= Grid point 1045 (355/580) =======================q-point: ( 0.44 0.17 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.935 ( 2.010 1.160 2.772) 3.615 1.936 ( 2.104 1.215 -0.301) 2.448 3.540 ( 8.217 4.744 45.103) 46.090 4.740 ( 28.361 16.374 -3.897) 32.980 6.777 ( -25.451 -14.694 -25.727) 39.058 8.616 ( 53.803 31.063 2.144) 62.163 10.503 ( 5.001 2.887 -6.055) 8.367 11.390 ( 0.470 0.271 4.329) 4.363 11.511 ( -2.751 -1.588 5.375) 6.244 14.944 ( 8.644 4.990 -21.204) 23.436 16.300 ( -14.220 -8.210 -3.805) 16.854 18.604 ( -14.810 -8.551 13.592) 21.845======================= Grid point 1046 (356/580) =======================q-point: ( 0.50 0.17 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.975 ( 1.577 0.911 -1.542) 2.387 1.975 ( 0.987 0.570 1.518) 1.898 3.858 ( 8.371 4.833 38.074) 39.282 5.340 ( 23.830 13.759 -2.317) 27.614 6.052 ( -29.457 -17.007 -25.079) 42.260 9.720 ( 38.061 21.974 2.833) 44.040 10.596 ( 4.362 2.518 -5.100) 7.168 11.471 ( -1.989 -1.148 4.427) 4.987 11.537 ( 13.117 7.573 3.332) 15.508 14.975 ( -0.564 -0.326 -18.286) 18.298 16.033 ( -8.026 -4.634 -2.730) 9.661 18.297 ( -14.626 -8.444 9.990) 19.622======================= Grid point 1047 (357/580) =======================q-point: ( 0.56 0.17 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.994 ( 0.371 0.214 0.696) 0.817 2.001 ( 1.150 0.664 -2.283) 2.641 4.153 ( 7.780 4.492 30.359) 31.660 5.296 ( -28.188 -16.274 -25.010) 41.048 5.816 ( 17.401 10.046 -1.235) 20.131 10.329 ( 14.558 8.405 5.454) 17.673 10.674 ( 3.479 2.009 -3.195) 5.133 11.442 ( -1.547 -0.893 2.521) 3.090 12.058 ( 29.306 16.920 0.905) 33.852 14.827 ( -6.912 -3.990 -17.623) 19.346 15.904 ( -3.133 -1.809 1.752) 4.020 17.993 ( -13.432 -7.755 5.670) 16.514======================= Grid point 1048 (358/580) =======================q-point: ( 0.61 0.17 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.998 ( -0.073 -0.042 0.143) 0.166 2.015 ( 0.790 0.456 -2.879) 3.020 4.274 ( -10.902 -6.294 4.754) 13.456 4.758 ( -4.270 -2.465 -6.775) 8.380 6.130 ( 9.684 5.591 -0.382) 11.189 10.546 ( 4.536 2.619 7.758) 9.361 10.743 ( 3.088 1.783 -0.636) 3.622 11.406 ( -2.079 -1.200 -0.088) 2.403 12.724 ( 24.014 13.865 -1.807) 27.788 14.593 ( -7.199 -4.156 -15.958) 17.993 15.897 ( 1.475 0.852 7.141) 7.342 17.716 ( -11.050 -6.379 0.471) 12.768======================= Grid point 1049 (359/580) =======================q-point: (-0.33 0.17 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.992 ( -0.454 -0.262 -0.201) 0.561 2.020 ( 0.439 0.253 -3.609) 3.644 3.778 ( -21.903 -12.645 -16.809) 30.367 4.988 ( 15.822 9.135 9.654) 20.664 6.257 ( 1.250 0.722 0.345) 1.485 10.637 ( 1.487 0.858 9.348) 9.504 10.818 ( 3.302 1.907 2.063) 4.335 11.338 ( -3.446 -1.990 -2.893) 4.920 12.963 ( -5.238 -3.024 -5.325) 8.058 14.520 ( 6.683 3.858 -12.988) 15.107 16.024 ( 6.900 3.984 13.490) 15.667 17.491 ( -7.578 -4.375 -5.653) 10.418======================= Grid point 1050 (360/580) =======================q-point: (-0.28 0.17 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.976 ( -0.856 -0.494 -0.354) 1.050 2.013 ( -0.024 -0.014 -4.814) 4.814 3.262 ( -18.265 -10.545 -13.813) 25.211 5.457 ( 22.276 12.861 5.900) 26.390 6.189 ( -7.278 -4.202 0.940) 8.456 10.671 ( -1.661 -0.959 10.368) 10.544 10.908 ( 3.478 2.008 4.810) 6.266 11.229 ( -4.679 -2.701 -5.781) 7.913 12.517 ( -28.033 -16.185 -6.577) 33.031 14.757 ( 14.180 8.187 -12.102) 20.361 16.286 ( 10.495 6.059 20.274) 23.620 17.340 ( -2.730 -1.576 -12.436) 12.829======================= Grid point 1051 (361/580) =======================q-point: (-0.22 0.17 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.949 ( -1.381 -0.797 -0.308) 1.624 1.986 ( -0.895 -0.517 -6.991) 7.067 2.846 ( -15.394 -8.888 -4.446) 18.323 5.930 ( -15.216 -8.785 1.327) 17.620 6.044 ( 27.013 15.596 1.444) 31.225 10.553 ( -14.434 -8.334 9.914) 19.393 10.979 ( -1.094 -0.632 6.332) 6.457 11.119 ( -0.786 -0.454 -7.422) 7.477 11.792 ( -28.404 -16.399 -4.940) 33.168 15.040 ( 13.075 7.549 -11.811) 19.168 16.563 ( 5.913 3.414 21.333) 22.399 17.325 ( 6.258 3.613 -14.975) 16.627======================= Grid point 1052 (362/580) =======================q-point: (-0.17 0.17 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.908 ( -2.173 -1.255 -0.026) 2.510 1.919 ( -2.960 -1.709 -9.686) 10.272 2.520 ( -13.222 -7.634 9.163) 17.806 5.501 ( -21.830 -12.604 1.352) 25.243 6.695 ( 28.633 16.531 -2.637) 33.167 9.890 ( -44.039 -25.426 5.127) 51.109 10.862 ( -6.934 -4.003 -2.216) 8.307 11.186 ( 4.883 2.819 1.095) 5.744 11.375 ( -7.057 -4.075 0.912) 8.200 15.298 ( 12.235 7.064 -10.220) 17.437 16.631 ( -3.073 -1.774 6.447) 7.358 17.563 ( 15.452 8.921 -2.985) 18.091======================= Grid point 1059 (363/580) =======================q-point: ( 0.22 0.22 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.865 ( -0.000 26.105 11.859) 28.672 1.166 ( -0.000 35.426 11.697) 37.307 2.565 ( -0.000 1.127 56.366) 56.377 2.718 ( 0.000 9.918 -14.014) 17.169 2.992 ( -0.000 37.432 1.546) 37.464 8.709 ( 0.000 -7.166 -26.318) 27.276 10.212 ( 0.000 1.176 -6.014) 6.128 11.521 ( 0.000 80.035 -42.926) 90.820 11.711 ( -0.000 -1.165 5.874) 5.988 11.740 ( 0.000 17.373 -6.088) 18.409 18.890 ( -0.000 -33.519 9.402) 34.813 19.787 ( -0.000 -30.493 20.791) 36.906======================= Grid point 1060 (364/580) =======================q-point: ( 0.28 0.22 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.270 ( 11.596 20.163 11.348) 25.881 1.560 ( 7.655 12.856 10.704) 18.397 2.764 ( 1.703 3.115 54.042) 54.158 2.853 ( 6.335 18.011 -14.432) 23.933 3.777 ( 33.685 52.307 1.493) 62.233 8.482 ( -7.102 -8.909 -26.899) 29.212 10.231 ( 1.983 2.287 -6.122) 6.830 11.648 ( -3.606 0.429 4.106) 5.482 11.693 ( -1.368 -1.896 5.749) 6.206 12.729 ( 38.750 66.730 -57.745) 96.378 18.309 ( -22.145 -41.219 14.987) 49.133 19.530 ( -7.656 -15.518 21.492) 27.592======================= Grid point 1061 (365/580) =======================q-point: ( 0.33 0.22 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.637 ( 8.507 9.910 9.226) 15.990 1.756 ( 4.093 3.406 6.812) 8.646 3.010 ( 3.834 3.484 54.816) 55.060 3.241 ( 16.374 27.269 -11.732) 33.902 5.067 ( 50.173 52.514 -0.768) 72.633 8.130 ( -12.112 -11.545 -26.108) 31.010 10.285 ( 2.673 4.058 -6.236) 7.905 11.579 ( -4.511 -2.263 4.989) 7.096 11.659 ( -2.040 -2.142 5.528) 6.270 13.737 ( 32.516 40.340 -46.199) 69.419 17.554 ( -24.523 -32.143 11.193) 41.950 19.311 ( -9.193 -12.526 18.925) 24.486======================= Grid point 1062 (366/580) =======================q-point: ( 0.39 0.22 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.831 ( 4.086 3.869 5.799) 8.080 1.849 ( 2.850 1.317 3.272) 4.535 3.291 ( 5.710 3.550 52.083) 52.516 3.854 ( 21.691 31.760 -7.443) 39.174 6.464 ( 51.494 43.151 -4.310) 67.322 7.699 ( -13.324 -10.391 -21.819) 27.596 10.365 ( 3.113 5.589 -6.218) 8.921 11.485 ( -4.545 -3.215 4.944) 7.445 11.615 ( -2.614 -1.726 5.262) 6.124 14.405 ( 21.565 23.850 -32.158) 45.475 16.908 ( -19.974 -23.198 2.987) 30.757 19.061 ( -11.080 -12.730 16.443) 23.563======================= Grid point 1063 (367/580) =======================q-point: ( 0.44 0.22 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.905 ( 2.238 0.500 1.161) 2.570 1.925 ( 2.087 1.838 2.937) 4.045 3.586 ( 6.943 3.254 46.909) 47.532 4.541 ( 21.533 31.721 -4.422) 38.593 6.916 ( -15.308 -13.533 -26.838) 33.731 8.071 ( 47.118 37.444 2.129) 60.222 10.464 ( 3.266 6.520 -5.990) 9.437 11.404 ( -2.240 -2.740 4.517) 5.738 11.569 ( -2.907 -0.633 4.935) 5.762 14.791 ( 11.283 13.061 -22.196) 28.117 16.414 ( -13.977 -16.234 -3.014) 21.633 18.772 ( -12.324 -13.130 13.686) 22.618======================= Grid point 1064 (368/580) =======================q-point: ( 0.50 0.22 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.944 ( 1.862 0.097 -0.494) 1.929 1.972 ( 1.077 1.065 1.460) 2.104 3.875 ( 7.569 2.644 40.352) 41.140 5.180 ( 17.781 27.687 -3.048) 33.046 6.294 ( -25.300 -16.040 -25.749) 39.502 9.273 ( 44.234 31.932 3.065) 54.641 10.570 ( 2.921 7.074 -5.375) 9.352 11.412 ( 4.729 -0.637 3.763) 6.078 11.538 ( -2.155 1.570 4.184) 4.961 14.935 ( 1.690 5.425 -17.484) 18.384 16.081 ( -7.492 -10.741 -4.033) 13.703 18.457 ( -12.754 -13.188 10.454) 21.116======================= Grid point 1065 (369/580) =======================q-point: ( 0.56 0.22 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.969 ( 1.468 -0.256 -1.342) 2.006 1.997 ( 0.503 0.775 0.307) 0.974 4.143 ( 7.808 1.767 33.222) 34.173 5.429 ( -14.357 -15.600 -20.407) 29.426 5.861 ( -1.274 25.432 -7.029) 26.416 10.140 ( 23.342 16.788 5.226) 29.223 10.675 ( 1.941 8.191 -3.943) 9.295 11.480 ( -1.124 0.295 2.977) 3.196 11.729 ( 21.705 9.149 1.392) 23.595 14.868 ( -6.078 0.168 -16.712) 17.784 15.910 ( -1.831 -6.410 -0.321) 6.674 18.133 ( -12.315 -12.677 6.618) 18.872======================= Grid point 1066 (370/580) =======================q-point: ( 0.61 0.22 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.982 ( 1.012 -0.579 -1.660) 2.029 2.009 ( 0.164 0.692 -0.794) 1.066 4.342 ( 1.315 -3.694 20.769) 21.136 4.828 ( -16.469 -12.543 -20.358) 29.034 6.196 ( 2.123 27.220 -0.962) 27.319 10.497 ( 7.366 4.452 6.849) 10.999 10.773 ( 0.106 8.977 -0.979) 9.031 11.456 ( -3.077 1.458 1.053) 3.564 12.344 ( 31.768 10.583 -1.459) 33.516 14.660 ( -9.604 -2.164 -16.193) 18.950 15.876 ( 2.307 -2.687 5.057) 6.174 17.821 ( -10.860 -11.480 2.041) 15.934======================= Grid point 1067 (371/580) =======================q-point: ( 0.67 0.22 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.983 ( 0.506 -0.787 -1.720) 1.958 2.013 ( -0.079 0.643 -1.952) 2.057 3.975 ( -21.637 -14.736 -14.655) 30.001 4.832 ( 12.587 4.182 9.214) 16.149 6.419 ( -5.541 22.753 -0.057) 23.418 10.627 ( 3.421 0.665 7.710) 8.461 10.855 ( -0.640 8.451 1.730) 8.650 11.405 ( -4.797 1.831 -1.080) 5.247 12.837 ( 15.110 -1.648 -4.075) 15.736 14.471 ( -3.025 1.496 -14.410) 14.800 15.972 ( 6.839 1.484 10.896) 12.950 17.544 ( -8.323 -9.770 -3.352) 13.265======================= Grid point 1068 (372/580) =======================q-point: (-0.28 0.22 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.974 ( -0.003 -0.893 -1.821) 2.028 2.007 ( -0.453 0.580 -3.161) 3.246 3.440 ( -19.086 -10.711 -13.980) 25.970 5.198 ( 19.842 6.394 6.716) 21.901 6.455 ( -14.020 18.178 0.450) 22.960 10.692 ( 1.353 -1.141 8.579) 8.759 10.938 ( 0.089 7.684 3.369) 8.390 11.317 ( -6.966 2.070 -2.878) 7.816 12.711 ( -14.778 -17.478 -5.902) 23.637 14.564 ( 11.425 7.339 -12.921) 18.744 16.212 ( 11.451 5.542 17.327) 21.495 17.321 ( -4.622 -7.905 -9.639) 13.295======================= Grid point 1069 (373/580) =======================q-point: (-0.22 0.22 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.954 ( -0.574 -1.005 -2.339) 2.609 1.988 ( -1.210 0.523 -4.254) 4.453 3.020 ( -15.607 -7.297 -5.443) 18.068 5.673 ( 24.597 6.153 1.950) 25.429 6.311 ( -20.663 15.019 0.540) 25.550 10.679 ( -4.417 -4.263 8.794) 10.725 11.034 ( 1.195 6.788 4.653) 8.315 11.186 ( -9.191 1.693 -4.461) 10.356 12.085 ( -27.767 -21.974 -5.230) 35.794 14.835 ( 14.191 6.957 -12.662) 20.251 16.541 ( 10.063 6.157 22.325) 25.250 17.189 ( 2.883 -4.772 -15.623) 16.588======================= Grid point 1070 (374/580) =======================q-point: (-0.17 0.22 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.915 ( -1.660 -1.120 -4.629) 5.043 1.949 ( -2.402 0.368 -3.333) 4.125 2.710 ( -13.249 -5.381 7.312) 16.061 5.852 ( -19.121 0.897 0.788) 19.159 6.369 ( 20.331 15.597 -2.860) 25.784 10.355 ( -30.008 -16.130 6.519) 34.686 10.985 ( -11.171 -1.419 -4.526) 12.137 11.146 ( 3.236 4.329 3.339) 6.353 11.499 ( -13.997 -8.977 -0.755) 16.645 15.105 ( 13.600 6.294 -11.701) 19.012 16.683 ( -2.540 -1.779 7.896) 8.483 17.333 ( 17.418 4.141 -3.467) 18.236======================= Grid point 1078 (375/580) =======================q-point: ( 0.28 0.28 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.407 ( -0.000 18.894 11.134) 21.931 1.654 ( -0.000 9.425 9.885) 13.658 2.945 ( -0.000 4.677 51.200) 51.413 2.957 ( 0.000 23.062 -14.093) 27.027 4.105 ( -0.000 66.650 3.499) 66.742 8.364 ( 0.000 -10.626 -28.791) 30.689 10.215 ( 0.000 2.735 -5.828) 6.438 11.683 ( -0.000 -2.929 5.833) 6.527 11.707 ( -0.000 -2.662 5.537) 6.144 12.968 ( 0.000 73.260 -54.141) 91.095 18.077 ( -0.000 -48.144 14.288) 50.220 19.487 ( -0.000 -16.557 19.641) 25.689======================= Grid point 1079 (376/580) =======================q-point: ( 0.33 0.28 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.650 ( 5.132 10.820 9.168) 15.082 1.762 ( 1.708 3.383 7.228) 8.161 3.159 ( 1.765 4.143 51.487) 51.684 3.278 ( 10.253 31.272 -10.879) 34.661 5.021 ( 23.769 67.212 1.235) 71.302 8.098 ( -7.137 -12.197 -28.316) 31.647 10.257 ( 2.850 3.969 -5.874) 7.641 11.639 ( -3.175 -3.703 5.426) 7.296 11.679 ( -1.218 -2.725 5.081) 5.893 13.644 ( 16.514 53.816 -44.585) 71.810 17.533 ( -12.141 -41.973 10.971) 45.050 19.341 ( -4.425 -15.862 17.885) 24.312======================= Grid point 1080 (377/580) =======================q-point: ( 0.39 0.28 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.825 ( 3.566 4.170 5.470) 7.748 1.830 ( 1.893 1.431 4.852) 5.401 3.397 ( 3.671 2.949 50.751) 50.969 3.852 ( 17.752 37.515 -7.694) 42.211 6.180 ( 35.085 55.277 -2.075) 65.504 7.733 ( -10.518 -10.050 -24.592) 28.573 10.348 ( 3.773 5.786 -5.964) 9.126 11.544 ( -4.534 -4.227 4.910) 7.908 11.646 ( -1.400 -2.197 4.637) 5.318 14.266 ( 16.313 34.623 -32.763) 50.382 16.944 ( -14.449 -31.999 4.407) 35.386 19.126 ( -7.527 -16.233 15.963) 23.979======================= Grid point 1081 (378/580) =======================q-point: ( 0.44 0.28 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.877 ( 1.863 0.147 2.027) 2.757 1.919 ( 2.020 2.102 3.405) 4.482 3.647 ( 5.237 1.849 46.806) 47.134 4.549 ( 18.872 39.341 -4.845) 43.901 6.875 ( -0.719 -4.895 -23.586) 24.099 7.805 ( 26.890 38.720 -1.559) 47.167 10.462 ( 3.595 7.315 -5.778) 9.991 11.439 ( -3.925 -4.030 4.239) 7.044 11.617 ( -1.611 -0.902 4.255) 4.638 14.696 ( 10.921 20.472 -22.640) 32.419 16.437 ( -12.129 -22.967 -1.875) 26.040 18.854 ( -9.675 -16.763 13.690) 23.707======================= Grid point 1082 (379/580) =======================q-point: ( 0.50 0.28 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.911 ( 1.758 -0.179 0.249) 1.784 1.969 ( 1.151 1.104 1.820) 2.420 3.893 ( 6.269 0.560 41.115) 41.594 5.219 ( 14.466 35.091 -4.036) 38.170 6.438 ( -17.595 -14.682 -25.510) 34.291 8.897 ( 40.474 41.503 3.032) 58.051 10.582 ( 3.195 8.106 -5.303) 10.200 11.372 ( -0.548 -2.690 3.370) 4.347 11.600 ( -1.668 0.994 3.839) 4.302 14.921 ( 3.625 10.777 -16.110) 19.718 16.059 ( -7.384 -15.977 -4.982) 18.292 18.542 ( -10.822 -16.986 10.949) 22.925======================= Grid point 1083 (380/580) =======================q-point: ( 0.56 0.28 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.936 ( 1.540 -0.407 -0.985) 1.873 1.996 ( 0.626 0.673 0.779) 1.205 4.121 ( 6.903 -0.949 34.610) 35.304 5.463 ( -10.384 -7.785 -17.922) 22.128 6.166 ( -2.863 28.341 -9.890) 30.153 9.905 ( 30.200 28.022 4.582) 41.452 10.711 ( 3.623 9.600 -4.678) 11.277 11.418 ( 7.360 -0.203 2.061) 7.646 11.614 ( 0.862 3.441 2.961) 4.621 14.941 ( -4.728 4.552 -14.075) 15.530 15.839 ( -0.958 -10.797 -3.084) 11.269 18.209 ( -11.017 -16.639 7.629) 21.364======================= Grid point 1084 (381/580) =======================q-point: ( 0.61 0.28 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.951 ( 1.240 -0.588 -1.810) 2.272 2.011 ( 0.261 0.488 -0.005) 0.553 4.308 ( 5.444 -4.453 26.728) 27.638 4.931 ( -19.036 -15.896 -23.374) 34.079 6.541 ( -0.646 41.051 -2.055) 41.107 10.438 ( 9.165 9.527 5.678) 14.387 10.873 ( 1.911 12.805 -1.875) 13.082 11.525 ( -0.325 2.918 1.668) 3.376 11.887 ( 26.605 5.488 -0.714) 27.175 14.785 ( -10.561 1.212 -14.357) 17.864 15.784 ( 4.360 -6.415 2.206) 8.064 17.877 ( -10.303 -15.564 3.628) 19.014======================= Grid point 1085 (382/580) =======================q-point: ( 0.67 0.28 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.957 ( 0.888 -0.682 -2.393) 2.642 2.016 ( -0.040 0.437 -0.697) 0.823 4.131 ( -17.670 -16.273 -8.273) 25.407 4.704 ( 6.984 0.514 5.412) 8.850 6.866 ( -8.623 39.173 -0.579) 40.115 10.596 ( 3.308 1.922 5.005) 6.300 10.993 ( -1.964 11.863 1.525) 12.121 11.521 ( -4.297 4.537 0.784) 6.297 12.422 ( 27.345 -2.314 -3.259) 27.636 14.562 ( -9.994 1.888 -13.784) 17.130 15.868 ( 8.412 -1.786 7.820) 11.624 17.566 ( -8.737 -13.920 -1.053) 16.468======================= Grid point 1086 (383/580) =======================q-point: (-0.28 0.28 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.954 ( 0.474 -0.650 -2.864) 2.974 2.014 ( -0.382 0.469 -1.385) 1.511 3.620 ( -18.683 -11.187 -12.902) 25.311 4.952 ( 15.652 2.244 7.318) 17.424 7.010 ( -17.816 35.051 0.033) 39.319 10.664 ( 2.492 -0.790 4.764) 5.434 11.068 ( -2.784 10.468 3.073) 11.259 11.476 ( -6.810 5.538 -0.009) 8.777 12.611 ( 4.663 -17.411 -4.685) 18.624 14.476 ( 1.356 6.684 -12.624) 14.348 16.092 ( 12.934 3.156 13.275) 18.801 17.291 ( -6.465 -12.279 -6.345) 15.258======================= Grid point 1087 (384/580) =======================q-point: (-0.22 0.28 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.942 ( -0.086 -0.492 -3.342) 3.379 2.003 ( -0.892 0.554 -2.014) 2.272 3.207 ( -15.504 -6.037 -6.106) 17.723 5.320 ( 21.692 3.043 2.591) 22.057 6.949 ( -26.173 29.384 0.055) 39.350 10.693 ( 0.648 -2.248 4.601) 5.162 11.128 ( -2.321 8.044 3.030) 8.904 11.394 ( -9.504 6.211 -0.030) 11.354 12.241 ( -17.614 -24.930 -4.409) 30.841 14.639 ( 11.210 7.531 -11.908) 18.004 16.450 ( 15.802 7.018 18.871) 25.595 17.059 ( -2.877 -11.261 -12.823) 17.307======================= Grid point 1088 (385/580) =======================q-point: (-0.17 0.28 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.919 ( -0.983 -0.184 -3.926) 4.051 1.981 ( -1.636 0.638 -2.141) 2.769 2.916 ( -12.989 -2.904 5.316) 14.332 5.756 ( 22.976 2.592 -1.662) 23.182 6.714 ( -29.049 23.020 -0.941) 37.076 10.619 ( -10.671 -5.176 4.953) 12.853 11.111 ( -7.741 -3.661 -3.100) 9.107 11.278 ( -9.476 7.837 3.320) 12.737 11.652 ( -17.330 -15.691 -1.428) 23.422 14.895 ( 13.462 6.511 -10.978) 18.550 16.733 ( -2.453 -1.594 7.774) 8.306 17.022 ( 18.902 -0.568 -3.725) 19.274======================= Grid point 1097 (386/580) =======================q-point: ( 0.33 0.33 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.731 ( -0.000 8.241 7.937) 11.442 1.795 ( -0.000 1.738 6.249) 6.486 3.341 ( -0.000 3.382 51.113) 51.225 3.470 ( 0.000 34.236 -10.539) 35.822 5.539 ( -0.000 71.345 0.982) 71.352 7.953 ( 0.000 -11.845 -28.802) 31.142 10.252 ( 0.000 4.353 -5.442) 6.969 11.639 ( -0.000 -4.548 4.923) 6.702 11.672 ( -0.000 -3.919 5.022) 6.370 13.921 ( 0.000 50.502 -39.082) 63.858 17.234 ( -0.000 -41.735 8.752) 42.643 19.263 ( -0.000 -17.419 16.690) 24.124======================= Grid point 1098 (387/580) =======================q-point: ( 0.39 0.33 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.827 ( 0.855 1.179 4.676) 4.898 1.840 ( 1.933 3.731 5.580) 6.985 3.530 ( 1.334 2.230 48.770) 48.839 3.924 ( 13.417 37.010 -7.415) 40.059 6.338 ( 13.136 57.265 -2.996) 58.829 7.723 ( -5.190 -3.339 -24.353) 25.123 10.318 ( 3.602 5.408 -5.389) 8.441 11.577 ( -2.922 -5.143 4.391) 7.367 11.646 ( -0.145 -3.371 4.401) 5.546 14.334 ( 7.084 37.176 -30.923) 48.872 16.802 ( -6.696 -34.347 4.366) 35.265 19.097 ( -3.791 -18.438 15.288) 24.250======================= Grid point 1099 (388/580) =======================q-point: ( 0.44 0.33 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.858 ( 1.134 -0.056 2.818) 3.038 1.918 ( 1.707 2.111 3.489) 4.421 3.725 ( 3.106 0.515 45.439) 45.548 4.590 ( 20.138 38.554 -5.046) 43.788 6.771 ( -0.045 -2.160 -21.584) 21.692 7.883 ( 12.623 45.710 -4.121) 47.600 10.440 ( 4.930 6.617 -5.277) 9.794 11.476 ( -3.859 -4.880 3.653) 7.215 11.629 ( -0.025 -1.887 3.754) 4.202 14.688 ( 7.582 22.847 -22.353) 32.850 16.371 ( -8.735 -24.714 -0.835) 26.226 18.857 ( -6.823 -19.199 13.538) 24.463======================= Grid point 1100 (389/580) =======================q-point: ( 0.50 0.33 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.883 ( 1.328 -0.333 1.179) 1.807 1.966 ( 1.116 1.107 2.000) 2.544 3.918 ( 4.510 -1.414 40.699) 40.972 5.297 ( 16.856 34.918 -4.698) 39.057 6.449 ( -9.432 -14.742 -24.904) 30.439 8.777 ( 26.752 51.313 2.243) 57.912 10.578 ( 4.402 7.062 -4.706) 9.560 11.383 ( -2.695 -3.327 2.572) 4.995 11.631 ( 0.053 0.076 3.290) 3.292 14.915 ( 5.168 11.520 -14.931) 19.554 16.010 ( -8.018 -16.216 -5.063) 18.785 18.562 ( -8.848 -19.580 11.349) 24.299======================= Grid point 1101 (390/580) =======================q-point: ( 0.56 0.33 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.904 ( 1.335 -0.496 -0.170) 1.434 1.994 ( 0.681 0.628 1.031) 1.386 4.095 ( 5.472 -3.574 35.029) 35.633 5.516 ( -10.492 -7.728 -18.497) 22.627 6.398 ( 8.341 30.046 -9.488) 32.594 9.735 ( 27.683 39.185 3.569) 48.109 10.704 ( 4.355 6.233 -3.943) 8.565 11.348 ( 0.947 -0.657 1.193) 1.659 11.652 ( 0.073 2.122 2.868) 3.569 15.008 ( 0.054 5.185 -10.239) 11.477 15.745 ( -4.229 -10.994 -6.204) 13.313 18.233 ( -9.770 -19.361 8.613) 23.335======================= Grid point 1102 (391/580) =======================q-point: ( 0.61 0.33 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.919 ( 1.203 -0.593 -1.202) 1.801 2.010 ( 0.365 0.391 0.355) 0.642 4.238 ( 5.359 -6.992 28.416) 29.750 5.025 ( -17.877 -15.618 -22.880) 32.969 6.942 ( 6.317 45.409 -2.897) 45.938 10.420 ( 10.933 19.324 5.067) 22.773 10.887 ( 10.497 10.123 -3.152) 14.920 11.436 ( 9.404 1.547 -0.497) 9.544 11.699 ( 2.101 3.247 2.120) 4.410 14.948 ( -8.340 3.509 -10.153) 13.600 15.627 ( 3.692 -8.370 -1.976) 9.359 17.893 ( -9.683 -18.331 5.222) 21.379======================= Grid point 1103 (392/580) =======================q-point: ( 0.67 0.33 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.927 ( 0.985 -0.575 -1.978) 2.283 2.018 ( 0.112 0.302 -0.167) 0.363 4.193 ( -8.591 -16.375 4.744) 19.091 4.651 ( -2.520 -2.741 -4.976) 6.215 7.432 ( -4.093 47.815 -1.053) 48.002 10.600 ( 0.527 4.317 3.271) 5.441 11.132 ( 1.963 12.294 1.021) 12.492 11.613 ( 2.075 4.832 0.370) 5.271 11.905 ( 22.871 -3.690 -1.710) 23.230 14.759 ( -12.751 4.226 -11.185) 17.480 15.688 ( 10.178 -4.955 4.164) 12.062 17.565 ( -8.827 -16.528 1.234) 18.778======================= Grid point 1104 (393/580) =======================q-point: ( 0.72 0.33 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.930 ( 0.699 -0.386 -2.545) 2.668 2.020 ( -0.142 0.324 -0.621) 0.715 3.778 ( -16.340 -11.851 -9.859) 22.464 4.750 ( 10.689 -0.522 6.486) 12.514 7.729 ( -16.314 46.075 -0.123) 48.878 10.636 ( 0.951 0.068 2.106) 2.311 11.237 ( -2.677 10.376 2.865) 11.092 11.640 ( -4.318 6.445 0.686) 7.788 12.199 ( 19.200 -17.432 -3.519) 26.170 14.581 ( -8.816 7.345 -10.654) 15.658 15.898 ( 14.789 -0.615 8.787) 17.213 17.265 ( -7.573 -14.342 -2.951) 16.485======================= Grid point 1105 (394/580) =======================q-point: (-0.22 0.33 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.928 ( 0.295 -0.040 -2.882) 2.897 2.016 ( -0.482 0.435 -1.046) 1.231 3.396 ( -14.555 -5.163 -5.951) 16.550 5.004 ( 17.084 -0.201 3.115) 17.366 7.776 ( -27.910 39.715 -0.039) 48.541 10.660 ( 1.853 -0.922 1.415) 2.507 11.278 ( -4.101 7.592 3.544) 9.328 11.609 ( -7.049 6.773 0.210) 9.778 12.132 ( -0.186 -26.223 -3.229) 26.422 14.571 ( 1.522 9.248 -9.519) 13.359 16.237 ( 19.251 2.762 11.131) 22.409 16.996 ( -6.441 -12.080 -6.370) 15.099======================= Grid point 1106 (395/580) =======================q-point: (-0.17 0.33 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.921 ( -0.318 0.397 -2.938) 2.981 2.005 ( -0.973 0.603 -1.353) 1.773 3.132 ( -12.253 -0.601 3.538) 12.768 5.354 ( 22.715 0.160 -1.729) 22.782 7.560 ( -36.222 29.368 -0.859) 46.640 10.685 ( 0.088 0.528 1.394) 1.493 11.228 ( -9.071 -2.505 1.452) 9.522 11.531 ( -9.429 6.194 0.056) 11.281 11.740 ( -12.086 -19.426 -0.464) 22.883 14.734 ( 9.111 8.244 -8.198) 14.771 16.649 ( 19.466 -4.577 -3.845) 20.363 16.783 ( -2.506 -1.515 6.442) 7.077======================= Grid point 1116 (396/580) =======================q-point: ( 0.39 0.39 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.840 ( -0.000 0.050 4.183) 4.184 1.875 ( -0.000 3.269 4.624) 5.663 3.680 ( -0.000 0.637 47.174) 47.179 4.142 ( 0.000 36.590 -6.988) 37.251 6.690 ( 0.000 27.992 -12.133) 30.508 7.779 ( 0.000 25.534 -15.463) 29.851 10.323 ( 0.000 5.822 -4.925) 7.625 11.567 ( -0.000 -4.759 3.312) 5.798 11.614 ( -0.000 -4.658 4.587) 6.538 14.534 ( 0.000 29.859 -26.681) 40.042 16.543 ( 0.000 -29.226 2.500) 29.332 18.982 ( -0.000 -19.813 14.389) 24.486======================= Grid point 1117 (397/580) =======================q-point: ( 0.44 0.39 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.853 ( 0.343 -0.221 3.239) 3.265 1.924 ( 1.025 1.903 3.244) 3.898 3.822 ( 0.928 -1.160 43.816) 43.842 4.625 ( 15.052 35.702 -5.156) 39.087 6.673 ( -3.146 -11.751 -23.897) 26.815 8.245 ( 5.484 58.684 -2.674) 59.000 10.408 ( 3.976 6.511 -4.710) 8.966 11.496 ( -3.070 -4.742 2.961) 6.378 11.601 ( 1.533 -3.387 3.757) 5.285 14.735 ( 3.418 17.114 -20.601) 26.999 16.258 ( -4.501 -19.305 -0.939) 19.845 18.788 ( -3.587 -20.700 13.168) 24.795======================= Grid point 1118 (398/580) =======================q-point: ( 0.50 0.39 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.867 ( 0.675 -0.413 2.059) 2.206 1.964 ( 0.979 1.038 2.034) 2.485 3.954 ( 2.383 -3.472 39.638) 39.861 5.291 ( 20.343 32.279 -4.571) 38.428 6.336 ( -5.542 -17.999 -24.850) 31.180 9.005 ( 12.225 58.399 0.821) 59.670 10.547 ( 5.270 6.865 -4.185) 9.614 11.405 ( -3.046 -3.585 2.181) 5.185 11.618 ( 1.882 -1.161 3.032) 3.753 14.865 ( 5.121 4.661 -13.596) 15.258 16.002 ( -7.585 -9.016 -5.061) 12.823 18.526 ( -6.501 -21.147 11.550) 24.957======================= Grid point 1119 (399/580) =======================q-point: ( 0.56 0.39 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.880 ( 0.881 -0.548 0.875) 1.357 1.992 ( 0.693 0.576 1.164) 1.472 4.071 ( 3.634 -6.258 34.786) 35.530 5.548 ( -9.081 -8.788 -18.938) 22.767 6.384 ( 21.766 25.028 -8.881) 34.337 9.796 ( 16.159 47.286 1.845) 50.005 10.682 ( 3.559 5.730 -2.817) 7.310 11.348 ( -0.945 -0.777 0.668) 1.394 11.659 ( 1.888 1.044 2.506) 3.307 14.937 ( 6.172 -2.993 -7.035) 9.826 15.777 ( -9.533 -2.327 -8.333) 12.874 18.214 ( -8.332 -20.988 9.436) 24.474======================= Grid point 1120 (400/580) =======================q-point: ( 0.61 0.39 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.892 ( 0.946 -0.595 -0.168) 1.130 2.008 ( 0.430 0.328 0.559) 0.778 4.156 ( 4.070 -10.065 28.800) 30.778 5.099 ( -15.716 -14.403 -21.963) 30.607 7.128 ( 22.261 39.914 -3.360) 45.826 10.488 ( 13.788 33.001 3.239) 35.912 10.765 ( 4.178 1.475 -1.845) 4.799 11.370 ( 2.277 2.808 -1.191) 3.806 11.714 ( 1.428 2.397 2.026) 3.449 14.983 ( 4.459 -3.811 -2.914) 6.550 15.579 ( -7.836 -0.600 -8.601) 11.651 17.880 ( -8.957 -19.950 6.694) 22.870======================= Grid point 1121 (401/580) =======================q-point: ( 0.67 0.39 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.900 ( 0.903 -0.483 -1.011) 1.439 2.017 ( 0.224 0.219 0.126) 0.337 4.138 ( -1.100 -16.159 15.033) 22.098 4.698 ( -9.719 -4.890 -13.041) 16.983 7.861 ( 11.850 46.386 -1.608) 47.903 10.706 ( -5.230 7.020 2.057) 8.993 11.074 ( 17.710 8.198 0.786) 19.531 11.471 ( 6.812 2.829 -2.459) 7.775 11.762 ( 0.776 1.894 1.460) 2.514 14.964 ( -5.627 2.583 -4.807) 7.838 15.493 ( 3.739 -3.365 -2.358) 5.555 17.551 ( -8.614 -17.895 3.343) 20.140======================= Grid point 1122 (402/580) =======================q-point: ( 0.72 0.39 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.908 ( 0.780 -0.164 -1.623) 1.808 2.022 ( 0.047 0.222 -0.205) 0.306 3.875 ( -10.939 -13.013 -3.588) 17.375 4.623 ( 3.869 -1.396 2.464) 4.795 8.420 ( -4.345 50.282 -0.262) 50.470 10.666 ( -3.751 1.307 0.683) 4.031 11.336 ( 5.107 4.486 2.527) 7.252 11.639 ( 14.334 -7.474 -2.858) 16.416 11.782 ( 0.436 -0.828 0.598) 1.110 14.831 ( -12.213 8.526 -7.321) 16.597 15.631 ( 14.655 -3.599 4.335) 15.701 17.247 ( -7.765 -14.918 -0.086) 16.818======================= Grid point 1123 (403/580) =======================q-point: (-0.22 0.39 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.915 ( 0.558 0.302 -1.947) 2.048 2.023 ( -0.162 0.323 -0.491) 0.610 3.564 ( -11.981 -4.858 -4.579) 13.715 4.751 ( 11.314 -2.182 2.877) 11.877 8.672 ( -23.637 46.285 0.252) 51.972 10.633 ( 0.214 -0.517 -0.326) 0.648 11.406 ( -0.952 1.681 2.886) 3.473 11.732 ( 12.353 -21.238 -1.546) 24.618 11.762 ( -3.406 2.803 -0.722) 4.470 14.718 ( -8.667 10.860 -6.208) 15.218 15.921 ( 19.551 -2.356 5.264) 20.384 16.987 ( -6.671 -10.694 -1.911) 12.748======================= Grid point 1124 (404/580) =======================q-point: (-0.17 0.39 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.921 ( 0.180 0.756 -1.955) 2.104 2.019 ( -0.473 0.494 -0.766) 1.027 3.345 ( -10.670 1.228 2.134) 10.950 4.983 ( 17.724 -2.322 -1.279) 17.921 8.516 ( -38.177 30.918 -0.723) 49.132 10.671 ( 2.844 2.498 -0.286) 3.796 11.331 ( -5.729 -9.434 0.992) 11.082 11.657 ( 1.106 -12.087 1.996) 12.300 11.713 ( -5.890 2.588 -1.891) 6.706 14.729 ( -0.450 10.286 -4.130) 11.093 16.240 ( 19.154 -7.227 -3.793) 20.820 16.826 ( -2.380 -1.651 4.501) 5.352======================= Grid point 1135 (405/580) =======================q-point: ( 0.44 0.44 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.858 ( -0.000 -0.382 3.175) 3.198 1.941 ( -0.000 1.436 2.650) 3.014 3.923 ( -0.000 -3.440 41.829) 41.970 4.816 ( 0.000 33.346 -4.959) 33.712 6.467 ( 0.000 -20.111 -25.679) 32.617 8.817 ( -0.000 63.671 -1.204) 63.682 10.424 ( 0.000 6.885 -4.303) 8.119 11.504 ( -0.000 -2.558 1.890) 3.181 11.544 ( -0.000 -4.855 4.309) 6.492 14.767 ( 0.000 5.924 -16.682) 17.702 16.147 ( 0.000 -9.212 -2.892) 9.655 18.645 ( -0.000 -21.583 12.507) 24.945======================= Grid point 1136 (406/580) =======================q-point: ( 0.50 0.44 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.863 ( 0.124 -0.515 2.684) 2.735 1.966 ( 0.617 0.877 1.887) 2.171 4.001 ( 0.519 -6.053 38.436) 38.913 5.265 ( 15.019 29.885 -4.200) 33.709 6.137 ( -3.184 -21.780 -25.287) 33.525 9.472 ( 3.610 59.152 -0.682) 59.266 10.521 ( 4.114 7.398 -3.919) 9.328 11.438 ( -3.597 -2.348 2.605) 5.024 11.565 ( 3.365 -1.717 2.983) 4.813 14.756 ( 2.943 -4.088 -11.186) 12.267 16.049 ( -4.543 -0.372 -5.988) 7.526 18.431 ( -3.510 -21.979 11.485) 25.046======================= Grid point 1137 (407/580) =======================q-point: ( 0.56 0.44 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.868 ( 0.328 -0.638 1.935) 2.063 1.989 ( 0.657 0.478 1.198) 1.448 4.052 ( 1.597 -9.363 34.151) 35.448 5.539 ( -7.004 -9.294 -19.059) 22.331 6.138 ( 26.594 18.365 -8.252) 33.356 10.089 ( 5.959 45.698 -0.820) 46.092 10.680 ( 4.952 10.024 -2.815) 11.530 11.375 ( -2.621 -0.140 2.216) 3.436 11.629 ( 3.222 1.283 2.360) 4.195 14.737 ( 6.072 -9.555 -5.475) 12.576 15.934 ( -8.778 4.489 -8.789) 13.208 18.157 ( -6.295 -21.794 10.017) 24.798======================= Grid point 1138 (408/580) =======================q-point: ( 0.61 0.44 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.874 ( 0.536 -0.654 1.108) 1.394 2.005 ( 0.489 0.247 0.673) 0.868 4.068 ( 2.373 -13.510 28.393) 31.533 5.147 ( -12.738 -12.522 -20.860) 27.463 6.949 ( 35.375 29.178 -3.215) 45.968 10.544 ( 8.602 17.736 -1.535) 19.772 10.877 ( -0.227 22.329 0.067) 22.330 11.369 ( 0.115 2.868 0.685) 2.951 11.707 ( 2.329 2.776 1.754) 4.026 14.758 ( 9.476 -10.854 -0.540) 14.418 15.779 ( -12.012 6.679 -10.270) 17.157 17.845 ( -7.841 -20.744 7.953) 23.560======================= Grid point 1139 (409/580) =======================q-point: ( 0.67 0.44 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.881 ( 0.676 -0.454 0.329) 0.878 2.015 ( 0.317 0.137 0.300) 0.457 4.018 ( 1.005 -17.287 18.245) 25.154 4.792 ( -10.912 -4.518 -14.518) 18.716 7.867 ( 33.461 34.082 -1.989) 47.803 10.734 ( 6.562 -2.590 -0.745) 7.094 11.089 ( -4.785 23.766 2.086) 24.333 11.438 ( 3.132 4.546 -1.478) 5.715 11.765 ( 1.240 1.532 1.146) 2.280 14.851 ( 11.713 -8.070 2.421) 14.429 15.601 ( -12.558 7.336 -9.378) 17.305 17.526 ( -8.074 -18.549 5.189) 20.884======================= Grid point 1140 (410/580) =======================q-point: ( 0.72 0.44 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.891 ( 0.729 -0.012 -0.317) 0.795 2.021 ( 0.185 0.133 0.044) 0.232 3.863 ( -3.609 -14.551 4.459) 15.641 4.613 ( -3.883 -0.378 -3.594) 5.305 8.746 ( 23.291 41.303 -0.897) 47.426 10.760 ( -0.718 -1.629 0.170) 1.788 11.148 ( -1.356 -2.171 0.962) 2.735 11.532 ( 2.278 4.385 -0.844) 5.013 11.798 ( 1.037 1.235 0.408) 1.664 14.986 ( 5.610 0.316 0.745) 5.668 15.477 ( -3.723 3.933 -4.008) 6.737 17.232 ( -7.343 -15.052 2.072) 16.876======================= Grid point 1141 (411/580) =======================q-point: ( 0.78 0.44 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.904 ( 0.674 0.536 -0.762) 1.150 2.025 ( 0.065 0.223 -0.144) 0.273 3.668 ( -6.563 -5.888 -1.507) 8.945 4.603 ( 3.583 -1.565 1.040) 4.045 9.422 ( -1.588 48.775 0.395) 48.803 10.671 ( -7.021 -0.686 -1.131) 7.144 11.068 ( 12.713 -28.778 -0.159) 31.462 11.592 ( -0.032 3.513 1.954) 4.020 11.823 ( -0.373 1.862 -1.095) 2.192 14.993 ( -9.140 9.616 -2.771) 13.553 15.584 ( 14.395 -2.914 1.699) 14.785 16.991 ( -5.834 -9.882 0.013) 11.476======================= Grid point 1142 (412/580) =======================q-point: (-0.17 0.44 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.919 ( 0.472 0.960 -0.980) 1.451 2.027 ( -0.116 0.385 -0.338) 0.525 3.527 ( -7.135 1.928 1.036) 7.464 4.702 ( 10.418 -3.088 -0.697) 10.889 9.475 ( -37.729 27.384 -0.193) 46.620 10.644 ( 3.813 3.794 -0.976) 5.467 11.060 ( 16.559 -23.363 -0.712) 28.645 11.619 ( -0.905 1.924 4.066) 4.589 11.797 ( -3.229 -0.153 -2.689) 4.205 14.917 ( -8.911 10.088 -0.537) 13.471 15.831 ( 17.506 -7.140 -3.144) 19.166 16.857 ( -1.985 -1.985 2.289) 3.622======================= Grid point 1154 (413/580) =======================q-point: ( 0.50 0.50 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.865 ( -0.000 -0.673 2.950) 3.026 1.973 ( -0.000 0.613 1.541) 1.659 4.035 ( -0.000 -9.399 36.620) 37.806 5.402 ( 0.000 27.243 -3.667) 27.489 5.860 ( 0.000 -22.612 -25.156) 33.825 10.010 ( -0.000 52.462 -2.433) 52.518 10.544 ( 0.000 7.316 -3.683) 8.191 11.473 ( -0.000 -4.753 4.132) 6.298 11.531 ( -0.000 5.998 2.475) 6.488 14.631 ( 0.000 -9.444 -7.708) 12.190 16.094 ( 0.000 4.600 -7.646) 8.923 18.274 ( -0.000 -22.252 11.091) 24.863======================= Grid point 1155 (414/580) =======================q-point: ( 0.56 0.50 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.866 ( -0.034 -0.825 2.844) 2.962 1.986 ( 0.456 0.326 1.108) 1.242 4.027 ( 0.123 -13.364 33.058) 35.657 5.489 ( -6.519 -13.301 -20.965) 25.670 5.863 ( 20.996 18.749 -5.386) 28.660 10.435 ( -1.148 30.563 -3.792) 30.819 10.686 ( 7.328 14.354 -3.985) 16.602 11.430 ( -1.118 -1.725 4.355) 4.816 11.651 ( 0.296 13.045 3.561) 13.526 14.531 ( 3.145 -11.889 -3.596) 12.813 16.086 ( -4.711 6.856 -9.443) 12.584 18.053 ( -3.444 -21.950 10.295) 24.487======================= Grid point 1156 (415/580) =======================q-point: ( 0.61 0.50 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.866 ( 0.122 -0.831 2.455) 2.595 2.000 ( 0.528 0.121 0.711) 0.894 3.971 ( 0.782 -17.350 27.141) 32.222 5.164 ( -8.887 -9.688 -19.279) 23.334 6.553 ( 35.025 20.609 -2.603) 40.722 10.590 ( 0.425 8.750 -2.468) 9.101 11.004 ( 9.222 17.208 -6.320) 20.521 11.444 ( 0.349 3.143 5.188) 6.076 11.794 ( -4.122 18.106 3.540) 18.904 14.490 ( 7.044 -12.408 0.568) 14.279 16.012 ( -8.896 8.438 -10.694) 16.270 17.782 ( -6.022 -20.871 8.959) 23.497======================= Grid point 1157 (416/580) =======================q-point: ( 0.67 0.50 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.870 ( 0.383 -0.545 1.892) 2.005 2.011 ( 0.426 0.018 0.406) 0.589 3.872 ( 1.129 -18.950 18.449) 26.472 4.893 ( -9.386 -2.333 -13.408) 16.533 7.442 ( 43.158 20.596 -1.689) 47.850 10.648 ( 1.513 0.980 -0.895) 2.013 11.271 ( 8.029 9.818 -7.177) 14.573 11.526 ( -0.414 8.556 5.932) 10.420 11.850 ( -9.300 12.907 2.119) 16.049 14.545 ( 12.001 -10.406 3.719) 16.313 15.889 ( -12.161 10.220 -10.420) 18.997 17.490 ( -7.150 -18.736 6.846) 21.191======================= Grid point 1158 (417/580) =======================q-point: ( 0.72 0.50 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.880 ( 0.593 0.020 1.238) 1.372 2.018 ( 0.320 0.011 0.211) 0.383 3.752 ( 0.705 -15.643 8.914) 18.018 4.712 ( -7.783 1.822 -6.444) 10.267 8.428 ( 45.611 21.605 -1.124) 50.482 10.665 ( 2.177 -3.441 0.361) 4.088 11.412 ( -4.057 7.520 -4.827) 9.814 11.568 ( -7.911 8.572 4.497) 12.501 11.783 ( -1.366 -0.337 0.360) 1.452 14.722 ( 16.120 -6.304 4.476) 17.878 15.741 ( -13.969 11.490 -7.680) 19.650 17.211 ( -6.724 -15.214 3.874) 17.079======================= Grid point 1159 (418/580) =======================q-point: ( 0.78 0.50 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.898 ( 0.670 0.630 0.577) 1.085 2.024 ( 0.246 0.099 0.104) 0.285 3.651 ( 0.112 -8.454 2.098) 8.711 4.614 ( -4.492 2.153 -1.491) 5.200 9.428 ( 42.890 23.290 -0.761) 48.811 10.659 ( 2.656 -7.171 1.329) 7.761 11.068 ( -30.784 -3.420 -0.194) 30.974 11.607 ( 2.496 2.724 -1.011) 3.831 11.815 ( 2.160 -0.017 0.636) 2.252 14.970 ( 14.825 -2.780 2.265) 15.253 15.603 ( -11.784 10.243 -2.610) 15.831 16.988 ( -4.905 -9.799 0.837) 10.990======================= Grid point 1160 (419/580) =======================q-point: (-0.17 0.50 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1467Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.918 ( 0.587 1.016 -0.000) 1.173 2.029 ( 0.152 0.263 0.000) 0.304 3.607 ( -0.287 -0.497 -0.000) 0.574 4.587 ( 0.235 0.406 -0.000) 0.469 10.326 ( -20.011 -34.661 -0.000) 40.023 10.356 ( 22.032 38.161 0.000) 44.065 10.677 ( -1.252 -2.169 -0.000) 2.504 11.652 ( 0.604 1.046 -0.000) 1.208 11.818 ( -1.177 -2.039 -0.000) 2.354 15.112 ( 0.502 0.869 -0.000) 1.003 15.573 ( 1.929 3.341 0.000) 3.858 16.868 ( -1.376 -2.384 -0.000) 2.753======================= Grid point 1174 (420/580) =======================q-point: ( 0.56 0.56 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.867 ( -0.000 -1.055 3.484) 3.641 1.987 ( -0.000 0.138 0.891) 0.901 3.966 ( -0.000 -17.950 30.277) 35.198 5.341 ( 0.000 -13.193 -21.239) 25.003 5.855 ( 0.000 19.526 -2.476) 19.682 10.669 ( 0.000 7.063 -3.232) 7.768 10.732 ( 0.000 20.777 -7.270) 22.013 11.403 ( -0.000 -4.727 3.993) 6.187 11.898 ( -0.000 28.783 6.125) 29.427 14.374 ( 0.000 -12.574 -0.823) 12.601 16.170 ( 0.000 7.737 -10.622) 13.141 17.896 ( -0.000 -21.478 10.202) 23.778======================= Grid point 1175 (421/580) =======================q-point: ( 0.61 0.56 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.866 ( -0.079 -1.106 3.733) 3.894 1.994 ( 0.408 -0.040 0.645) 0.764 3.851 ( 0.026 -20.924 24.556) 32.262 5.147 ( -4.304 -5.354 -16.615) 17.979 6.217 ( 21.528 15.295 -1.869) 26.474 10.686 ( -3.088 6.669 -3.006) 7.940 10.945 ( 8.149 9.002 -7.960) 14.519 11.400 ( 3.581 -3.469 3.977) 6.378 12.183 ( -5.783 31.115 6.129) 32.236 14.279 ( 3.431 -12.175 2.561) 12.906 16.181 ( -4.269 9.014 -11.785) 15.439 17.686 ( -3.330 -20.302 9.645) 22.721======================= Grid point 1176 (422/580) =======================q-point: ( 0.67 0.56 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.867 ( 0.129 -0.768 3.538) 3.623 2.003 ( 0.520 -0.152 0.447) 0.702 3.711 ( 0.909 -20.156 17.103) 26.450 4.990 ( -6.705 1.224 -11.114) 13.038 6.874 ( 37.899 11.975 -1.098) 39.761 10.679 ( -2.557 3.093 -1.580) 4.313 11.147 ( 9.935 4.793 -7.940) 13.591 11.484 ( 7.040 -1.186 3.479) 7.942 12.303 ( -14.395 22.197 4.762) 26.881 14.281 ( 8.142 -9.047 5.625) 13.408 16.140 ( -7.881 11.278 -11.914) 18.200 17.438 ( -5.645 -18.337 8.373) 20.934======================= Grid point 1177 (423/580) =======================q-point: ( 0.72 0.56 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.877 ( 0.432 -0.111 2.923) 2.956 2.011 ( 0.481 -0.171 0.335) 0.610 3.593 ( 2.112 -16.101 9.773) 18.953 4.868 ( -8.106 5.246 -6.147) 11.446 7.733 ( 48.137 8.718 -0.551) 48.923 10.653 ( -1.853 0.332 -0.171) 1.890 11.332 ( 9.127 2.750 -6.820) 11.721 11.620 ( 7.561 0.005 2.806) 8.065 12.136 ( -23.396 8.031 3.203) 24.942 14.421 ( 13.041 -3.965 6.611) 15.149 16.066 ( -11.192 13.624 -9.650) 20.100 17.184 ( -6.143 -15.328 5.855) 17.520======================= Grid point 1178 (424/580) =======================q-point: (-0.22 -0.44 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.896 ( 0.603 0.535 1.998) 2.155 2.019 ( 0.438 -0.087 0.325) 0.552 3.527 ( 3.491 -10.613 3.547) 11.722 4.774 ( -8.505 7.127 -2.198) 11.312 8.674 ( 52.045 2.394 -0.264) 52.100 10.627 ( -1.049 -0.147 0.811) 1.334 11.439 ( -0.674 -0.567 -4.208) 4.299 11.714 ( -16.992 1.872 2.886) 17.337 11.754 ( -1.026 -2.581 0.477) 2.818 14.668 ( 15.487 -1.434 4.703) 16.249 15.963 ( -14.306 13.982 -4.063) 20.413 16.971 ( -4.338 -10.275 1.712) 11.284======================= Grid point 1193 (425/580) =======================q-point: ( 0.61 0.61 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.867 ( -0.000 -1.272 4.731) 4.899 1.991 ( -0.000 -0.202 0.489) 0.529 3.699 ( -0.000 -22.143 20.112) 29.913 5.114 ( 0.000 0.492 -12.438) 12.448 6.150 ( 0.000 10.807 -1.294) 10.884 10.785 ( 0.000 6.387 -3.004) 7.058 10.904 ( 0.000 5.208 -8.667) 10.111 11.329 ( -0.000 -5.089 3.867) 6.392 12.560 ( -0.000 26.982 6.012) 27.644 14.148 ( -0.000 -9.940 5.509) 11.365 16.275 ( 0.000 10.239 -13.161) 16.675 17.547 ( -0.000 -18.997 9.936) 21.439======================= Grid point 1194 (426/580) =======================q-point: ( 0.67 0.61 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.870 ( 0.016 -1.018 5.090) 5.191 1.993 ( 0.430 -0.342 0.374) 0.665 3.542 ( 0.694 -19.847 14.428) 24.547 5.086 ( -3.568 5.974 -8.002) 10.604 6.428 ( 22.032 6.346 -0.671) 22.937 10.774 ( -4.668 4.137 -2.808) 6.841 11.007 ( 7.729 3.669 -8.118) 11.794 11.344 ( 6.048 -4.274 3.325) 8.118 12.708 ( -8.564 12.391 4.648) 15.764 14.132 ( 3.805 -3.087 8.714) 9.997 16.318 ( -3.392 12.701 -13.990) 19.198 17.366 ( -3.275 -17.116 9.719) 19.953======================= Grid point 1195 (427/580) =======================q-point: (-0.28 -0.39 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.880 ( 0.281 -0.392 4.617) 4.642 2.000 ( 0.617 -0.412 0.384) 0.835 3.422 ( 2.195 -15.751 8.535) 18.048 5.058 ( -6.736 9.961 -4.353) 12.788 7.011 ( 39.138 1.868 -0.058) 39.183 10.717 ( -4.191 1.647 -1.314) 4.690 11.168 ( 9.513 2.436 -7.281) 12.225 11.458 ( 9.494 -2.927 2.090) 10.153 12.534 ( -16.797 -4.177 3.469) 17.653 14.266 ( 6.993 4.165 9.918) 12.831 16.334 ( -6.455 15.752 -12.971) 21.402 17.154 ( -5.418 -14.903 8.467) 17.976======================= Grid point 1196 (428/580) =======================q-point: (-0.22 -0.39 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.899 ( 0.511 0.214 3.452) 3.497 2.008 ( 0.665 -0.359 0.544) 0.931 3.356 ( 4.074 -11.755 2.926) 12.781 5.024 ( -9.220 12.598 -1.359) 15.670 7.775 ( 48.379 -4.583 0.332) 48.597 10.667 ( -2.459 1.123 -0.160) 2.708 11.321 ( 8.031 -0.184 -5.629) 9.809 11.603 ( 9.193 -2.685 1.457) 9.687 12.106 ( -21.943 -12.644 2.400) 25.439 14.491 ( 8.986 6.206 8.209) 13.662 16.324 ( -10.691 17.125 -7.591) 21.568 16.947 ( -4.621 -11.335 4.205) 12.943======================= Grid point 1212 (429/580) =======================q-point: (-0.33 -0.33 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.877 ( -0.000 -1.047 6.146) 6.235 1.986 ( -0.000 -0.519 0.228) 0.567 3.384 ( -0.000 -17.599 10.513) 20.500 5.186 ( 0.000 11.327 -4.635) 12.239 6.269 ( 0.000 1.431 -0.413) 1.490 10.889 ( 0.000 5.746 -2.829) 6.405 10.913 ( 0.000 1.620 -9.118) 9.261 11.242 ( -0.000 -5.906 3.707) 6.973 12.828 ( -0.000 -6.575 3.647) 7.518 14.156 ( -0.000 7.691 11.914) 14.181 16.438 ( 0.000 14.901 -15.974) 21.845 17.264 ( -0.000 -15.132 10.839) 18.614======================= Grid point 1213 (430/580) =======================q-point: (-0.28 -0.33 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.887 ( 0.142 -0.736 6.136) 6.182 1.985 ( 0.526 -0.672 0.265) 0.894 3.258 ( 1.432 -14.604 5.824) 15.787 5.276 ( -4.439 15.721 -1.931) 16.449 6.459 ( 22.448 -3.126 0.024) 22.665 10.812 ( -5.544 1.250 -3.881) 6.881 11.028 ( 7.016 3.313 -6.671) 10.233 11.267 ( 7.789 -5.258 2.545) 9.736 12.624 ( -7.352 -21.268 3.314) 22.746 14.323 ( 1.552 13.479 12.940) 18.749 16.530 ( -2.188 17.469 -17.172) 24.593 17.125 ( -3.746 -12.969 11.745) 17.894======================= Grid point 1214 (431/580) =======================q-point: (-0.22 -0.33 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.903 ( 0.373 -0.329 4.925) 4.950 1.992 ( 0.863 -0.716 0.684) 1.314 3.175 ( 3.308 -12.283 0.991) 12.759 5.332 ( -8.372 18.300 0.027) 20.124 6.947 ( 38.430 -8.170 0.508) 39.292 10.724 ( -3.616 -0.357 -2.117) 4.205 11.165 ( 7.658 0.995 -5.239) 9.332 11.391 ( 10.860 -4.671 0.706) 11.843 12.207 ( -12.296 -27.208 2.893) 29.997 14.532 ( 2.125 13.672 11.644) 18.083 16.613 ( -4.208 20.026 -16.376) 26.209 16.946 ( -6.576 -11.483 11.725) 17.680======================= Grid point 1231 (432/580) =======================q-point: (-0.28 -0.28 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.897 ( -0.000 -0.986 7.048) 7.116 1.972 ( 0.000 -0.920 0.059) 0.922 3.117 ( -0.000 -13.300 2.159) 13.474 5.506 ( -0.000 21.614 0.345) 21.617 6.199 ( 0.000 -8.213 -0.150) 8.215 10.859 ( 0.000 -2.037 -9.618) 9.831 10.985 ( 0.000 5.447 -2.392) 5.950 11.134 ( -0.000 -6.903 3.352) 7.674 12.420 ( -0.000 -31.875 3.570) 32.075 14.512 ( -0.000 16.563 14.137) 21.775 16.662 ( 0.000 16.512 -20.702) 26.481 17.092 ( -0.000 -8.183 14.789) 16.902======================= Grid point 1232 (433/580) =======================q-point: (-0.22 -0.28 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.909 ( 0.147 -1.026 6.444) 6.527 1.969 ( 0.792 -1.128 0.522) 1.474 3.004 ( 1.804 -12.638 -1.748) 12.885 5.675 ( -6.840 22.887 1.321) 23.924 6.312 ( 23.075 -10.661 0.301) 25.421 10.749 ( -3.313 -5.855 -6.478) 9.339 11.070 ( 3.946 3.605 -2.807) 6.037 11.158 ( 8.656 -6.905 1.146) 11.131 12.045 ( -4.857 -34.323 3.437) 34.835 14.716 ( -0.512 16.080 13.499) 21.001 16.736 ( 0.294 9.806 -20.114) 22.379 17.049 ( -5.897 1.468 14.610) 15.823======================= Grid point 1250 (434/580) =======================q-point: (-0.22 -0.22 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.916 ( -0.000 -1.704 7.842) 8.025 1.948 ( 0.000 -1.526 -0.022) 1.527 2.849 ( 0.000 -13.226 -4.709) 14.039 5.938 ( 0.000 -17.437 -0.546) 17.445 6.038 ( -0.000 29.749 2.599) 29.862 10.640 ( 0.000 -18.026 -9.148) 20.215 11.006 ( -0.000 -7.844 3.323) 8.519 11.082 ( 0.000 5.642 -2.225) 6.065 11.756 ( 0.000 -31.151 3.096) 31.305 14.925 ( -0.000 15.728 13.511) 20.734 16.730 ( 0.000 0.943 -13.713) 13.745 17.212 ( -0.000 12.210 8.251) 14.737======================= Grid point 1385 (435/580) =======================q-point: ( 0.22 0.22 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 580Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.542 ( -0.000 -0.000 15.735) 15.735 0.542 ( -0.000 -0.000 15.735) 15.735 2.569 ( 0.000 0.000 -15.236) 15.236 2.569 ( 0.000 0.000 -15.236) 15.236 2.820 ( -0.000 -0.000 74.754) 74.754 8.714 ( 0.000 0.000 -32.443) 32.443 10.184 ( 0.000 0.000 -6.077) 6.077 10.184 ( 0.000 0.000 -6.077) 6.077 11.738 ( -0.000 -0.000 5.981) 5.981 11.738 ( -0.000 -0.000 5.981) 5.981 19.208 ( -0.000 -0.000 7.416) 7.416 20.261 ( 0.000 0.000 -3.512) 3.512======================= Grid point 1386 (436/580) =======================q-point: ( 0.28 0.22 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.923 ( 22.576 13.034 13.428) 29.324 1.244 ( 29.790 17.199 12.781) 36.696 2.584 ( 6.604 3.813 -16.243) 17.944 2.759 ( 15.111 8.724 4.270) 17.964 3.183 ( 19.293 11.139 51.134) 55.776 8.522 ( -6.673 -3.853 -31.146) 32.085 10.183 ( 1.348 0.778 -6.082) 6.278 11.206 ( 63.036 36.394 -33.798) 80.252 11.738 ( -1.334 -0.770 5.893) 6.091 11.795 ( 9.404 5.429 0.094) 10.859 18.945 ( -26.429 -15.259 7.807) 31.500 19.899 ( -20.740 -11.974 13.383) 27.434======================= Grid point 1387 (437/580) =======================q-point: ( 0.33 0.22 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.453 ( 17.361 10.023 12.625) 23.691 1.690 ( 8.696 5.021 8.865) 13.395 2.813 ( 18.154 10.481 -15.524) 26.085 3.097 ( 6.757 3.901 46.262) 46.916 4.196 ( 56.310 32.511 8.580) 65.585 8.224 ( -11.075 -6.394 -30.533) 33.103 10.210 ( 2.601 1.502 -6.015) 6.723 11.621 ( -1.547 -0.893 3.808) 4.206 11.713 ( -2.291 -1.323 5.638) 6.228 12.810 ( 58.377 33.704 -45.194) 81.156 18.160 ( -38.408 -22.175 10.801) 45.646 19.575 ( -13.333 -7.698 17.599) 23.383======================= Grid point 1388 (438/580) =======================q-point: ( 0.39 0.22 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.766 ( 7.521 4.342 8.479) 12.137 1.830 ( 3.099 1.789 4.643) 5.862 3.331 ( 28.705 16.573 -10.287) 34.705 3.382 ( 5.434 3.137 51.866) 52.244 5.631 ( 63.312 36.553 0.851) 73.112 7.827 ( -15.084 -8.709 -28.583) 33.472 10.268 ( 3.858 2.227 -5.884) 7.380 11.557 ( -4.400 -2.540 5.211) 7.278 11.668 ( -2.945 -1.700 5.291) 6.289 13.819 ( 39.324 22.704 -35.408) 57.581 17.355 ( -32.263 -18.627 5.720) 37.691 19.319 ( -13.601 -7.852 15.794) 22.273======================= Grid point 1389 (439/580) =======================q-point: ( 0.44 0.22 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.894 ( 1.852 1.069 1.846) 2.825 1.899 ( 3.078 1.777 4.554) 5.776 3.665 ( 5.770 3.332 48.704) 49.157 4.017 ( 31.245 18.039 -5.425) 36.485 6.888 ( 24.609 14.208 -16.023) 32.623 7.535 ( 16.594 9.580 -10.965) 22.076 10.352 ( 4.818 2.782 -5.637) 7.920 11.469 ( -4.015 -2.318 4.984) 6.807 11.612 ( -3.153 -1.821 4.863) 6.075 14.448 ( 23.224 13.408 -24.268) 36.167 16.714 ( -23.482 -13.557 -0.969) 27.132 19.032 ( -14.877 -8.589 13.256) 21.699======================= Grid point 1390 (440/580) =======================q-point: ( 0.50 0.22 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.934 ( 1.440 0.831 -0.093) 1.665 1.959 ( 1.439 0.831 2.352) 2.880 3.939 ( 5.912 3.413 42.785) 43.326 4.710 ( 28.981 16.732 -2.674) 33.571 6.532 ( -24.728 -14.277 -28.023) 40.007 8.639 ( 53.912 31.126 2.995) 62.324 10.452 ( 5.142 2.969 -5.085) 7.817 11.429 ( 0.151 0.087 4.148) 4.152 11.555 ( -2.881 -1.663 4.200) 5.358 14.767 ( 9.987 5.766 -17.576) 21.022 16.264 ( -14.568 -8.411 -4.047) 17.302 18.712 ( -15.659 -9.041 10.244) 20.782======================= Grid point 1391 (441/580) =======================q-point: ( 0.56 0.22 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.962 ( 1.154 0.666 -1.454) 1.972 1.987 ( 0.658 0.380 1.118) 1.352 4.194 ( 5.857 3.382 35.883) 36.514 5.324 ( 24.147 13.941 -1.197) 27.909 5.813 ( -29.113 -16.808 -27.423) 43.383 9.756 ( 38.740 22.366 5.039) 45.016 10.555 ( 4.791 2.766 -3.936) 6.790 11.504 ( -2.386 -1.378 3.005) 4.077 11.562 ( 12.326 7.117 2.105) 14.388 14.819 ( -0.663 -0.383 -15.841) 15.859 16.013 ( -6.628 -3.826 -1.818) 7.866 18.373 ( -15.708 -9.069 6.749) 19.353======================= Grid point 1392 (442/580) =======================q-point: ( 0.61 0.22 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.979 ( 0.859 0.496 -2.512) 2.700 1.999 ( 0.168 0.097 0.384) 0.430 4.422 ( 4.551 2.627 29.029) 29.500 5.058 ( -27.339 -15.784 -27.583) 41.922 5.809 ( 17.596 10.159 -0.373) 20.322 10.392 ( 15.239 8.798 8.206) 19.416 10.650 ( 4.212 2.432 -2.059) 5.281 11.458 ( -2.249 -1.298 1.122) 2.829 12.056 ( 28.495 16.451 -1.195) 32.924 14.673 ( -6.924 -3.997 -16.011) 17.896 15.928 ( -1.258 -0.726 3.405) 3.701 18.031 ( -14.825 -8.559 2.686) 17.327======================= Grid point 1393 (443/580) =======================q-point: ( 0.67 0.22 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.986 ( 0.531 0.307 -3.572) 3.625 1.999 ( -0.196 -0.113 -0.045) 0.231 4.231 ( -24.983 -14.424 -13.091) 31.679 4.770 ( 7.876 4.547 8.358) 12.352 6.128 ( 9.849 5.686 0.116) 11.373 10.627 ( 4.836 2.792 9.871) 11.341 10.741 ( 3.963 2.288 0.263) 4.584 11.400 ( -2.944 -1.700 -1.200) 3.605 12.699 ( 23.205 13.398 -3.575) 27.032 14.451 ( -6.534 -3.772 -15.281) 17.042 15.971 ( 3.484 2.011 9.095) 9.945 17.709 ( -12.821 -7.402 -2.045) 14.945======================= Grid point 1394 (444/580) =======================q-point: (-0.28 0.22 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.981 ( 0.124 0.072 -4.918) 4.920 1.990 ( -0.515 -0.297 -0.239) 0.640 3.628 ( -21.421 -12.368 -15.968) 29.441 5.069 ( 14.662 8.465 8.249) 18.833 6.261 ( 1.418 0.819 0.417) 1.690 10.728 ( 1.660 0.958 10.537) 10.710 10.839 ( 4.183 2.415 2.530) 5.453 11.309 ( -4.345 -2.509 -3.492) 6.113 12.914 ( -6.062 -3.500 -5.490) 8.897 14.397 ( 7.469 4.312 -13.961) 16.410 16.154 ( 9.239 5.334 15.068) 18.462 17.431 ( -9.773 -5.643 -7.512) 13.557======================= Grid point 1395 (445/580) =======================q-point: (-0.22 0.22 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.960 ( -0.487 -0.281 -6.606) 6.630 1.973 ( -0.859 -0.496 -0.219) 1.016 3.163 ( -15.558 -8.982 -8.019) 19.673 5.496 ( 20.695 11.948 2.682) 24.047 6.196 ( -7.114 -4.107 0.577) 8.235 10.766 ( -1.616 -0.933 10.616) 10.779 10.951 ( 4.558 2.632 4.527) 6.943 11.177 ( -5.795 -3.346 -5.553) 8.696 12.462 ( -27.909 -16.113 -5.448) 32.684 14.639 ( 14.368 8.296 -13.772) 21.562 16.473 ( 12.520 7.228 20.938) 25.444 17.221 ( -5.007 -2.891 -13.763) 14.928======================= Grid point 1404 (446/580) =======================q-point: ( 0.28 0.28 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.981 ( -0.000 25.177 13.798) 28.710 1.280 ( -0.000 35.069 13.744) 37.666 2.578 ( 0.000 10.127 -16.915) 19.714 2.715 ( 0.000 25.300 -10.875) 27.538 3.346 ( -0.000 11.914 64.360) 65.454 8.436 ( 0.000 -5.973 -33.834) 34.358 10.158 ( 0.000 1.215 -5.719) 5.847 11.158 ( 0.000 81.060 -33.255) 87.616 11.762 ( -0.000 -0.479 4.755) 4.779 11.763 ( -0.000 -1.253 5.594) 5.733 18.965 ( -0.000 -30.617 7.451) 31.510 19.927 ( -0.000 -22.431 11.005) 24.985======================= Grid point 1405 (447/580) =======================q-point: ( 0.33 0.28 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.383 ( 11.309 19.144 13.608) 26.068 1.656 ( 6.410 11.183 10.613) 16.696 2.711 ( 6.756 19.187 -16.829) 26.400 3.127 ( 11.099 17.594 21.960) 30.249 3.908 ( 24.643 38.103 31.477) 55.226 8.207 ( -6.263 -7.853 -33.661) 35.128 10.177 ( 1.853 2.304 -5.653) 6.379 11.679 ( -3.000 4.616 2.466) 6.032 11.743 ( -1.285 -2.102 5.283) 5.830 12.293 ( 37.593 60.653 -39.061) 81.349 18.416 ( -21.527 -39.322 9.386) 45.801 19.696 ( -7.298 -14.662 15.287) 22.404======================= Grid point 1406 (448/580) =======================q-point: ( 0.39 0.28 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.725 ( 7.254 7.993 10.064) 14.758 1.813 ( 2.837 2.439 5.891) 6.978 3.132 ( 17.994 29.380 -12.189) 36.545 3.474 ( 5.658 5.132 46.294) 46.920 5.090 ( 47.679 49.924 7.046) 69.393 7.866 ( -10.860 -10.035 -32.044) 35.291 10.231 ( 2.610 4.007 -5.593) 7.359 11.625 ( -4.460 -2.088 5.107) 7.095 11.707 ( -1.993 -2.366 4.819) 5.726 13.367 ( 35.529 42.770 -35.631) 66.039 17.635 ( -26.305 -33.382 7.021) 43.077 19.464 ( -9.455 -12.621 14.747) 21.591======================= Grid point 1407 (449/580) =======================q-point: ( 0.44 0.28 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.877 ( 1.774 0.612 2.874) 3.432 1.883 ( 3.152 2.805 5.420) 6.868 3.745 ( 5.225 2.790 47.476) 47.844 3.791 ( 22.894 32.954 -6.295) 40.617 6.435 ( 46.716 38.771 -1.596) 60.730 7.483 ( -8.225 -5.287 -25.761) 27.555 10.313 ( 3.118 5.519 -5.384) 8.317 11.530 ( -4.625 -3.421 5.020) 7.636 11.659 ( -2.535 -1.934 4.328) 5.376 14.145 ( 24.721 26.308 -25.347) 44.110 16.926 ( -22.246 -24.819 1.021) 33.345 19.194 ( -11.607 -12.939 12.753) 21.559======================= Grid point 1408 (450/580) =======================q-point: ( 0.50 0.28 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.914 ( 1.490 0.147 0.799) 1.697 1.952 ( 1.492 1.241 2.713) 3.336 3.997 ( 5.354 1.794 43.231) 43.598 4.506 ( 22.271 32.112 -3.140) 39.205 6.669 ( -16.310 -13.706 -27.584) 34.853 8.088 ( 48.758 38.597 1.829) 62.213 10.415 ( 3.366 6.484 -4.949) 8.824 11.445 ( -2.425 -3.071 4.306) 5.818 11.609 ( -2.890 -0.813 3.785) 4.831 14.612 ( 13.059 14.495 -17.270) 26.056 16.385 ( -15.049 -17.064 -3.541) 23.026 18.880 ( -13.085 -13.390 10.132) 21.287======================= Grid point 1409 (451/580) =======================q-point: ( 0.56 0.28 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.938 ( 1.338 -0.066 -0.720) 1.521 1.985 ( 0.703 0.703 1.247) 1.595 4.226 ( 5.540 1.057 36.879) 37.308 5.156 ( 17.887 26.598 -2.166) 32.126 6.054 ( -24.734 -14.311 -26.712) 39.117 9.306 ( 44.794 32.207 4.307) 55.338 10.527 ( 3.234 7.060 -4.138) 8.799 11.442 ( 4.261 -1.035 2.767) 5.185 11.571 ( -2.430 1.353 2.981) 4.078 14.793 ( 1.658 5.847 -13.812) 15.090 16.047 ( -6.557 -10.480 -3.471) 12.840 18.536 ( -13.758 -13.519 7.016) 20.525======================= Grid point 1410 (452/580) =======================q-point: ( 0.61 0.28 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.954 ( 1.137 -0.270 -1.865) 2.201 2.001 ( 0.199 0.491 0.360) 0.640 4.433 ( 5.717 0.249 30.531) 31.062 5.221 ( -20.412 -19.252 -24.723) 37.397 5.816 ( 4.931 29.432 -3.158) 30.009 10.197 ( 24.266 16.926 7.164) 30.442 10.646 ( 2.787 8.474 -2.463) 9.254 11.499 ( -1.409 0.079 1.282) 1.906 11.735 ( 20.336 8.600 -0.184) 22.081 14.727 ( -6.748 0.245 -14.042) 15.581 15.914 ( 0.200 -5.554 1.096) 5.665 18.178 ( -13.595 -13.135 3.395) 19.206======================= Grid point 1411 (453/580) =======================q-point: ( 0.67 0.28 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.961 ( 0.854 -0.479 -2.853) 3.016 2.006 ( -0.196 0.418 -0.258) 0.529 4.450 ( -20.288 -16.780 -3.896) 26.615 4.709 ( 2.704 -0.223 1.170) 2.954 6.191 ( 2.610 27.084 -0.174) 27.210 10.562 ( 7.869 3.345 7.197) 11.176 10.775 ( 1.007 9.957 1.663) 10.145 11.459 ( -3.853 1.458 -0.275) 4.129 12.322 ( 31.074 10.255 -3.300) 32.888 14.521 ( -9.752 -1.809 -14.298) 17.402 15.930 ( 4.415 -1.795 6.805) 8.309 17.827 ( -12.459 -12.115 -0.781) 17.396======================= Grid point 1412 (454/580) =======================q-point: ( 0.72 0.28 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.957 ( 0.472 -0.615 -3.940) 4.016 2.001 ( -0.564 0.388 -0.713) 0.988 3.831 ( -22.535 -14.112 -16.622) 31.357 4.920 ( 12.169 3.475 9.946) 16.097 6.420 ( -5.333 22.680 0.225) 23.300 10.694 ( 4.524 -0.457 6.686) 8.086 10.882 ( -0.427 8.882 4.409) 9.925 11.392 ( -5.773 2.222 -1.887) 6.468 12.796 ( 14.415 -1.906 -4.798) 15.312 14.343 ( -2.749 2.056 -13.764) 14.185 16.077 ( 9.108 2.377 12.364) 15.539 17.504 ( -10.292 -10.599 -5.512) 15.768======================= Grid point 1413 (455/580) =======================q-point: (-0.22 0.28 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.941 ( -0.085 -0.586 -5.316) 5.349 1.989 ( -0.956 0.307 -0.873) 1.330 3.330 ( -16.917 -8.688 -10.110) 21.538 5.248 ( 18.087 5.288 4.264) 19.321 6.458 ( -13.883 18.095 0.227) 22.808 10.763 ( 2.636 -2.579 6.925) 7.846 10.975 ( 0.113 7.689 4.925) 9.132 11.291 ( -8.047 3.089 -2.780) 9.057 12.661 ( -14.976 -17.297 -4.929) 23.404 14.444 ( 11.412 7.750 -13.550) 19.336 16.371 ( 13.973 6.419 17.740) 23.476 17.228 ( -7.106 -9.013 -10.946) 15.860======================= Grid point 1423 (456/580) =======================q-point: ( 0.33 0.33 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.516 ( -0.000 17.287 12.962) 21.607 1.740 ( -0.000 7.387 9.132) 11.746 2.818 ( 0.000 24.969 -16.491) 29.923 3.307 ( -0.000 20.559 25.932) 33.093 4.234 ( -0.000 51.171 27.648) 58.163 8.074 ( 0.000 -9.187 -35.222) 36.401 10.165 ( 0.000 2.747 -5.125) 5.815 11.734 ( -0.000 -3.115 5.388) 6.224 11.754 ( -0.000 -2.753 4.875) 5.599 12.546 ( 0.000 73.202 -39.527) 83.192 18.181 ( -0.000 -47.261 9.222) 48.153 19.642 ( -0.000 -15.954 14.570) 21.606======================= Grid point 1424 (457/580) =======================q-point: ( 0.39 0.33 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.736 ( 4.352 8.591 9.820) 13.755 1.822 ( 1.105 2.248 6.091) 6.586 3.164 ( 11.354 33.856 -12.596) 37.866 3.592 ( 3.187 8.424 41.330) 42.300 5.074 ( 21.934 61.771 11.707) 66.587 7.814 ( -6.200 -10.258 -34.248) 36.285 10.208 ( 2.666 3.960 -4.997) 6.911 11.686 ( -3.228 -3.887 4.965) 7.084 11.721 ( -1.285 -2.807 4.066) 5.105 13.289 ( 18.166 56.260 -33.746) 68.074 17.614 ( -13.120 -43.140 7.293) 45.677 19.484 ( -4.552 -15.752 13.807) 21.436======================= Grid point 1425 (458/580) =======================q-point: ( 0.44 0.33 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.864 ( 1.407 0.636 3.612) 3.929 1.880 ( 2.445 2.942 5.561) 6.750 3.773 ( 17.687 33.789 -1.129) 38.155 3.843 ( 5.007 8.163 38.721) 39.888 6.181 ( 32.370 50.488 2.876) 60.043 7.488 ( -7.690 -5.135 -29.435) 30.853 10.299 ( 3.653 5.769 -4.935) 8.424 11.587 ( -4.547 -4.585 4.545) 7.897 11.683 ( -1.362 -2.349 3.496) 4.426 14.003 ( 18.744 37.217 -25.163) 48.679 16.975 ( -16.294 -33.731 2.665) 37.555 19.254 ( -7.901 -16.262 12.241) 21.834======================= Grid point 1426 (459/580) =======================q-point: ( 0.50 0.33 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.893 ( 1.163 -0.195 1.604) 1.991 1.948 ( 1.449 1.409 2.930) 3.559 4.052 ( 4.372 0.594 42.024) 42.255 4.510 ( 19.552 39.769 -3.814) 44.480 6.660 ( -5.822 -9.659 -23.738) 26.281 7.788 ( 32.540 44.461 -1.930) 55.131 10.415 ( 3.585 7.350 -4.634) 9.400 11.476 ( -3.978 -4.566 3.854) 7.178 11.650 ( -1.526 -1.049 3.042) 3.562 14.516 ( 12.930 22.300 -17.064) 30.913 16.419 ( -13.678 -24.224 -2.096) 27.898 18.962 ( -10.299 -16.819 10.065) 22.141======================= Grid point 1427 (460/580) =======================q-point: ( 0.56 0.33 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.913 ( 1.159 -0.383 0.079) 1.224 1.984 ( 0.788 0.772 1.419) 1.797 4.248 ( 4.738 -0.945 36.751) 37.067 5.184 ( 14.075 33.178 -3.614) 36.221 6.207 ( -16.667 -12.166 -25.141) 32.525 8.926 ( 41.090 41.758 3.275) 58.675 10.539 ( 3.258 8.190 -4.054) 9.702 11.399 ( -0.731 -3.323 2.725) 4.360 11.629 ( -1.654 0.879 2.593) 3.199 14.794 ( 4.202 11.832 -11.848) 17.263 16.018 ( -7.394 -16.435 -4.128) 18.488 18.625 ( -11.707 -17.062 7.394) 21.973======================= Grid point 1428 (461/580) =======================q-point: ( 0.61 0.33 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.926 ( 1.069 -0.505 -1.146) 1.646 2.002 ( 0.357 0.500 0.526) 0.809 4.420 ( 5.172 -2.287 30.853) 31.367 5.283 ( -14.862 -13.972 -21.122) 29.364 6.094 ( 1.873 34.833 -6.043) 35.403 9.951 ( 31.191 28.232 5.459) 42.423 10.675 ( 4.013 9.594 -3.163) 10.870 11.430 ( 6.759 -0.807 0.454) 6.822 11.636 ( 0.392 3.307 1.929) 3.849 14.827 ( -5.704 4.986 -10.968) 13.330 15.819 ( 0.932 -10.433 -1.307) 10.556 18.263 ( -12.184 -16.783 4.233) 21.167======================= Grid point 1429 (462/580) =======================q-point: ( 0.67 0.33 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.933 ( 0.865 -0.597 -2.184) 2.424 2.011 ( 0.018 0.383 -0.059) 0.388 4.537 ( -2.320 -11.209 22.002) 24.801 4.717 ( -13.764 -10.085 -22.106) 27.925 6.528 ( 0.108 41.237 -0.889) 41.247 10.490 ( 8.997 8.400 5.513) 13.487 10.870 ( 3.603 13.587 1.193) 14.107 11.531 ( 0.019 2.919 -0.409) 2.948 11.875 ( 24.916 5.204 -1.979) 25.530 14.665 ( -11.392 1.645 -11.953) 16.594 15.813 ( 6.594 -5.822 4.241) 9.765 17.896 ( -11.767 -15.827 0.571) 19.730======================= Grid point 1430 (463/580) =======================q-point: ( 0.72 0.33 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.931 ( 0.555 -0.579 -3.196) 3.295 2.011 ( -0.299 0.356 -0.473) 0.663 4.018 ( -21.520 -15.674 -15.379) 30.745 4.782 ( 9.197 -0.105 10.805) 14.190 6.863 ( -8.365 39.146 -0.000) 40.029 10.635 ( 3.698 0.952 3.678) 5.302 11.022 ( -1.339 11.686 4.805) 12.706 11.522 ( -4.691 4.986 -0.655) 6.877 12.387 ( 26.768 -2.319 -4.235) 27.200 14.445 ( -10.327 2.563 -12.006) 16.042 15.946 ( 10.566 -1.379 9.392) 14.204 17.546 ( -10.497 -14.269 -3.484) 18.053======================= Grid point 1431 (464/580) =======================q-point: (-0.22 0.33 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.921 ( 0.128 -0.335 -4.233) 4.249 2.005 ( -0.651 0.374 -0.726) 1.044 3.511 ( -17.433 -8.839 -11.065) 22.460 5.012 ( 14.156 0.790 5.900) 15.356 7.010 ( -17.770 35.001 0.052) 39.253 10.698 ( 3.190 -1.883 2.877) 4.691 11.109 ( -2.649 9.946 5.723) 11.777 11.472 ( -7.223 6.287 -1.002) 9.628 12.569 ( 4.442 -17.110 -4.301) 18.193 14.365 ( 1.015 7.507 -11.799) 14.022 16.214 ( 15.246 3.105 13.488) 20.592 17.227 ( -8.632 -12.576 -7.622) 17.052======================= Grid point 1442 (465/580) =======================q-point: ( 0.39 0.39 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.804 ( -0.000 6.169 8.092) 10.175 1.846 ( -0.000 0.904 5.025) 5.106 3.371 ( 0.000 36.624 -11.112) 38.273 3.769 ( -0.000 6.003 42.713) 43.133 5.582 ( -0.000 66.350 9.039) 66.963 7.666 ( 0.000 -8.930 -34.417) 35.557 10.207 ( 0.000 4.321 -4.411) 6.175 11.679 ( -0.000 -4.932 3.795) 6.223 11.714 ( -0.000 -3.922 4.120) 5.688 13.610 ( 0.000 53.276 -29.690) 60.991 17.301 ( -0.000 -43.364 6.208) 43.806 19.397 ( -0.000 -17.318 12.922) 21.607======================= Grid point 1443 (466/580) =======================q-point: ( 0.44 0.39 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.865 ( 0.328 0.251 3.734) 3.757 1.889 ( 1.588 2.800 5.176) 6.095 3.839 ( 12.279 34.908 -3.462) 37.166 3.964 ( 3.112 6.111 38.832) 39.433 6.330 ( 11.304 48.506 1.449) 49.826 7.483 ( -2.972 5.221 -28.369) 28.999 10.274 ( 3.439 5.381 -4.199) 7.643 11.612 ( -2.722 -5.568 3.367) 7.053 11.680 ( -0.412 -3.352 3.305) 4.725 14.087 ( 8.369 39.660 -23.552) 46.879 16.837 ( -7.696 -36.158 3.378) 37.122 19.219 ( -4.002 -18.364 11.672) 22.124======================= Grid point 1444 (467/580) =======================q-point: ( 0.50 0.39 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.881 ( 0.581 -0.320 2.259) 2.354 1.947 ( 1.250 1.404 2.953) 3.501 4.114 ( 2.775 -0.104 39.653) 39.750 4.549 ( 20.485 38.819 -3.944) 44.069 6.575 ( -3.530 -8.868 -21.369) 23.404 7.843 ( 16.829 53.026 -4.487) 55.813 10.398 ( 4.842 6.679 -3.989) 9.164 11.506 ( -3.836 -5.407 2.890) 7.232 11.658 ( -0.118 -1.884 2.544) 3.168 14.510 ( 9.318 24.830 -16.755) 31.370 16.366 ( -10.145 -26.304 -0.332) 28.194 18.964 ( -7.276 -19.105 9.943) 22.733======================= Grid point 1445 (468/580) =======================q-point: ( 0.56 0.39 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.893 ( 0.735 -0.476 0.948) 1.290 1.982 ( 0.796 0.772 1.538) 1.896 4.267 ( 3.440 -2.651 35.952) 36.213 5.254 ( 15.864 32.797 -4.931) 36.764 6.227 ( -8.234 -12.345 -23.428) 27.732 8.795 ( 27.697 51.693 1.648) 58.669 10.540 ( 4.418 7.334 -3.447) 9.229 11.404 ( -2.799 -4.026 2.044) 5.312 11.655 ( 0.058 0.061 2.053) 2.054 14.798 ( 6.422 13.275 -10.726) 18.234 15.971 ( -8.873 -17.564 -3.375) 19.965 18.649 ( -9.563 -19.456 7.761) 23.026======================= Grid point 1446 (469/580) =======================q-point: ( 0.61 0.39 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.902 ( 0.778 -0.548 -0.219) 0.977 2.002 ( 0.449 0.471 0.689) 0.948 4.397 ( 4.055 -4.725 31.088) 31.705 5.335 ( -13.409 -12.574 -20.926) 27.853 6.328 ( 11.621 35.209 -6.048) 37.567 9.767 ( 28.601 39.198 3.324) 48.637 10.673 ( 4.181 6.618 -2.761) 8.301 11.357 ( 0.673 -1.527 0.702) 1.811 11.673 ( 0.072 2.099 1.663) 2.678 14.927 ( -0.494 6.855 -7.372) 10.079 15.702 ( -3.068 -12.074 -3.476) 12.934 18.295 ( -10.776 -19.250 5.116) 22.647======================= Grid point 1447 (470/580) =======================q-point: ( 0.67 0.39 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.908 ( 0.704 -0.564 -1.238) 1.531 2.013 ( 0.175 0.321 0.151) 0.396 4.490 ( 2.934 -9.919 27.128) 29.033 4.807 ( -17.538 -13.667 -25.114) 33.542 6.922 ( 7.081 45.779 -1.451) 46.346 10.465 ( 10.840 18.548 4.666) 21.984 10.867 ( 12.087 10.921 -1.120) 16.328 11.425 ( 8.613 0.921 -1.887) 8.866 11.714 ( 1.684 3.237 1.158) 3.828 14.864 ( -10.163 4.630 -8.328) 13.931 15.624 ( 6.477 -8.702 1.263) 10.922 17.926 ( -10.988 -18.283 1.997) 21.424======================= Grid point 1448 (471/580) =======================q-point: ( 0.72 0.39 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.908 ( 0.527 -0.440 -2.159) 2.266 2.016 ( -0.068 0.276 -0.208) 0.352 4.164 ( -18.299 -17.287 -10.473) 27.265 4.669 ( 5.567 -1.873 8.248) 10.125 7.427 ( -3.730 47.873 -0.132) 48.018 10.625 ( 0.417 3.353 2.091) 3.974 11.157 ( 2.780 12.270 4.383) 13.322 11.605 ( 3.815 4.654 -2.208) 6.410 11.887 ( 20.573 -3.264 -2.051) 20.931 14.665 ( -13.657 5.137 -9.349) 17.329 15.736 ( 12.364 -5.069 6.433) 14.831 17.565 ( -10.370 -16.488 -1.433) 19.531======================= Grid point 1449 (472/580) =======================q-point: ( 0.78 0.39 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.905 ( 0.271 -0.065 -2.976) 2.989 2.015 ( -0.327 0.312 -0.446) 0.635 3.685 ( -16.551 -9.327 -10.371) 21.645 4.810 ( 10.217 -2.315 6.658) 12.413 7.730 ( -16.287 46.122 0.229) 48.914 10.649 ( 1.150 -0.763 0.859) 1.626 11.275 ( -2.369 9.858 5.512) 11.540 11.638 ( -4.163 6.555 -1.161) 7.852 12.167 ( 18.822 -16.929 -3.557) 25.564 14.492 ( -9.325 8.497 -8.959) 15.473 15.980 ( 16.516 -1.460 9.383) 19.051 17.231 ( -9.203 -13.968 -4.486) 17.318======================= Grid point 1461 (473/580) =======================q-point: ( 0.44 0.44 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.874 ( -0.000 -0.250 3.297) 3.307 1.915 ( -0.000 2.187 4.160) 4.700 4.079 ( 0.000 37.843 -6.851) 38.459 4.085 ( -0.000 0.298 41.629) 41.630 6.581 ( 0.000 12.868 -11.831) 17.480 7.635 ( 0.000 40.828 -15.733) 43.754 10.285 ( 0.000 5.749 -3.607) 6.787 11.592 ( -0.000 -5.142 1.992) 5.515 11.651 ( -0.000 -4.533 3.523) 5.741 14.321 ( 0.000 32.153 -20.288) 38.019 16.567 ( 0.000 -31.149 2.676) 31.264 19.096 ( -0.000 -19.678 10.847) 22.470======================= Grid point 1462 (474/580) =======================q-point: ( 0.50 0.44 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.880 ( 0.050 -0.378 2.620) 2.648 1.951 ( 0.776 1.255 2.731) 3.104 4.197 ( 0.328 -1.428 37.939) 37.967 4.582 ( 15.584 35.852 -4.114) 39.308 6.458 ( -3.774 -15.345 -23.206) 28.075 8.216 ( 6.743 62.652 -3.567) 63.115 10.371 ( 3.898 6.469 -3.283) 8.235 11.518 ( -2.884 -4.934 1.785) 5.987 11.630 ( 1.201 -3.347 2.652) 4.436 14.571 ( 4.356 19.422 -15.457) 25.201 16.256 ( -5.246 -21.453 0.541) 22.092 18.891 ( -3.832 -20.496 9.628) 22.966======================= Grid point 1463 (475/580) =======================q-point: ( 0.56 0.44 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.884 ( 0.205 -0.463 1.754) 1.826 1.981 ( 0.727 0.708 1.573) 1.872 4.295 ( 1.597 -4.336 34.944) 35.248 5.248 ( 19.224 30.882 -5.046) 36.725 6.116 ( -4.135 -16.532 -23.044) 28.661 9.007 ( 13.101 58.701 -0.343) 60.146 10.515 ( 5.363 7.023 -2.798) 9.268 11.422 ( -3.232 -3.808 1.492) 5.212 11.640 ( 1.733 -1.107 1.852) 2.767 14.759 ( 6.364 7.171 -9.667) 13.615 15.968 ( -8.494 -11.386 -2.451) 14.415 18.614 ( -7.009 -20.867 7.991) 23.419======================= Grid point 1464 (476/580) =======================q-point: ( 0.61 0.44 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.888 ( 0.335 -0.512 0.837) 1.037 2.001 ( 0.496 0.420 0.802) 1.032 4.373 ( 2.512 -7.281 31.375) 32.306 5.362 ( -11.555 -12.680 -21.655) 27.626 6.319 ( 24.562 29.412 -5.399) 38.697 9.807 ( 17.045 46.825 0.699) 49.835 10.661 ( 3.764 6.399 -1.758) 7.629 11.355 ( -1.445 -1.270 0.652) 2.031 11.677 ( 1.826 1.081 1.334) 2.507 14.886 ( 6.930 -0.440 -4.202) 8.116 15.717 ( -9.794 -4.609 -4.956) 11.905 18.284 ( -9.134 -20.672 5.921) 23.363======================= Grid point 1465 (477/580) =======================q-point: ( 0.67 0.44 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.891 ( 0.388 -0.483 -0.042) 0.621 2.012 ( 0.276 0.264 0.310) 0.491 4.413 ( 2.205 -12.809 27.803) 30.691 4.890 ( -15.447 -12.405 -24.291) 31.346 7.104 ( 22.832 40.262 -1.795) 46.320 10.512 ( 15.887 32.417 1.957) 36.154 10.752 ( 2.981 2.380 -1.027) 3.950 11.361 ( 1.779 2.135 -0.645) 2.853 11.727 ( 1.394 2.381 0.921) 2.909 14.962 ( 2.969 -1.038 -1.672) 3.562 15.521 ( -5.626 -2.920 -4.290) 7.653 17.926 ( -10.069 -19.661 3.388) 22.348======================= Grid point 1466 (478/580) =======================q-point: ( 0.72 0.44 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.892 ( 0.364 -0.285 -0.846) 0.964 2.018 ( 0.091 0.205 -0.003) 0.225 4.225 ( -11.071 -19.865 2.013) 22.831 4.620 ( -1.183 -1.216 -2.045) 2.657 7.852 ( 12.332 46.401 -0.422) 48.013 10.720 ( -5.203 5.867 1.075) 7.916 11.086 ( 18.911 8.747 1.626) 20.899 11.450 ( 5.761 3.061 -2.231) 6.895 11.771 ( 0.692 1.816 0.499) 2.006 14.919 ( -9.030 4.923 -4.867) 11.378 15.493 ( 8.065 -5.200 2.225) 9.851 17.568 ( -9.951 -17.628 0.518) 20.250======================= Grid point 1467 (479/580) =======================q-point: ( 0.78 0.44 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.893 ( 0.288 0.163 -1.539) 1.574 2.020 ( -0.082 0.236 -0.201) 0.321 3.825 ( -13.674 -10.704 -7.067) 18.748 4.658 ( 5.713 -3.181 5.159) 8.329 8.421 ( -4.092 50.354 0.456) 50.522 10.668 ( -3.888 0.679 -0.099) 3.948 11.369 ( 6.103 2.998 4.423) 8.112 11.607 ( 13.686 -5.730 -4.045) 15.378 11.785 ( 0.230 -1.031 -0.006) 1.056 14.770 ( -13.106 9.936 -6.121) 17.549 15.678 ( 16.338 -4.858 6.149) 18.120 17.238 ( -9.008 -14.395 -1.996) 17.098======================= Grid point 1480 (480/580) =======================q-point: ( 0.50 0.50 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.884 ( -0.000 -0.417 2.637) 2.670 1.963 ( -0.000 0.935 2.183) 2.375 4.284 ( -0.000 -4.225 37.091) 37.330 4.772 ( 0.000 33.971 -4.677) 34.291 6.236 ( 0.000 -21.097 -24.850) 32.597 8.800 ( -0.000 64.792 -2.541) 64.842 10.392 ( 0.000 6.755 -2.775) 7.302 11.516 ( -0.000 -2.518 0.785) 2.638 11.578 ( -0.000 -4.619 3.119) 5.574 14.635 ( 0.000 8.735 -12.188) 14.995 16.133 ( 0.000 -12.048 -0.435) 12.056 18.743 ( -0.000 -21.276 8.995) 23.099======================= Grid point 1481 (481/580) =======================q-point: ( 0.56 0.50 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.886 ( -0.133 -0.445 2.355) 2.400 1.981 ( 0.486 0.571 1.472) 1.652 4.333 ( -0.153 -6.709 34.360) 35.010 5.226 ( 14.494 29.488 -4.346) 33.144 5.910 ( -2.151 -21.037 -24.090) 32.055 9.459 ( 4.102 58.851 -2.322) 59.039 10.492 ( 4.172 7.285 -2.396) 8.731 11.457 ( -3.677 -1.526 1.729) 4.340 11.587 ( 3.124 -1.798 1.936) 4.091 14.672 ( 3.589 -1.328 -7.200) 8.154 16.009 ( -4.981 -3.242 -2.951) 6.635 18.520 ( -3.779 -21.567 7.981) 23.305======================= Grid point 1482 (482/580) =======================q-point: ( 0.61 0.50 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.885 ( -0.107 -0.480 1.864) 1.927 1.998 ( 0.509 0.322 0.860) 1.050 4.352 ( 0.647 -10.472 31.792) 33.479 5.349 ( -9.306 -12.947 -22.565) 27.630 6.079 ( 29.326 22.989 -4.664) 37.554 10.074 ( 6.720 44.596 -2.521) 45.170 10.659 ( 5.497 9.976 -1.762) 11.525 11.395 ( -3.396 0.936 2.258) 4.184 11.645 ( 3.055 1.390 1.235) 3.577 14.703 ( 6.932 -7.379 -1.883) 10.298 15.869 ( -9.226 2.234 -5.650) 11.047 18.232 ( -6.862 -21.304 6.555) 23.322======================= Grid point 1483 (483/580) =======================q-point: ( 0.67 0.50 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.885 ( 0.001 -0.428 1.270) 1.340 2.010 ( 0.362 0.181 0.430) 0.591 4.324 ( 0.642 -16.810 27.974) 32.643 4.948 ( -12.182 -9.666 -23.280) 27.996 6.926 ( 35.675 29.545 -1.806) 46.356 10.527 ( 9.124 17.330 -2.284) 19.718 10.873 ( 1.599 21.227 -0.884) 21.306 11.382 ( -1.668 4.253 2.103) 5.029 11.718 ( 2.190 2.809 0.700) 3.630 14.766 ( 10.038 -9.309 2.362) 13.892 15.700 ( -11.968 5.193 -7.188) 14.895 17.902 ( -8.739 -20.254 4.673) 22.549======================= Grid point 1484 (484/580) =======================q-point: ( 0.72 0.50 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.885 ( 0.103 -0.177 0.636) 0.668 2.017 ( 0.212 0.127 0.158) 0.293 4.165 ( -4.116 -21.632 13.271) 25.710 4.670 ( -7.004 -0.180 -11.305) 13.300 7.854 ( 33.747 34.097 -0.833) 47.981 10.728 ( 7.008 -2.047 -0.688) 7.333 11.096 ( -3.260 22.446 -0.371) 22.684 11.435 ( 1.472 5.297 0.819) 5.559 11.772 ( 1.206 1.470 0.282) 1.922 14.879 ( 10.923 -6.853 3.864) 13.461 15.531 ( -11.028 6.304 -6.043) 14.066 17.560 ( -9.252 -18.147 2.348) 20.505======================= Grid point 1485 (485/580) =======================q-point: ( 0.78 0.50 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1467Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.889 ( 0.178 0.309 -0.000) 0.356 2.022 ( 0.091 0.158 -0.000) 0.182 3.884 ( -8.004 -13.863 -0.000) 16.007 4.596 ( -0.450 -0.779 0.000) 0.899 8.742 ( 23.761 41.154 -0.000) 47.521 10.761 ( -0.875 -1.516 -0.000) 1.750 11.153 ( -1.488 -2.577 -0.000) 2.976 11.529 ( 2.725 4.721 -0.000) 5.451 11.799 ( 0.696 1.206 -0.000) 1.392 14.989 ( 1.523 2.637 -0.000) 3.045 15.458 ( 1.007 1.744 -0.000) 2.014 17.241 ( -8.481 -14.689 -0.000) 16.961======================= Grid point 1500 (486/580) =======================q-point: ( 0.56 0.56 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.891 ( -0.000 -0.473 2.689) 2.730 1.985 ( -0.000 0.369 1.188) 1.244 4.357 ( -0.000 -10.222 33.900) 35.408 5.370 ( 0.000 27.687 -3.297) 27.882 5.630 ( 0.000 -22.141 -25.266) 33.595 9.978 ( -0.000 51.158 -4.539) 51.359 10.518 ( 0.000 7.085 -2.106) 7.392 11.505 ( -0.000 -4.447 2.883) 5.300 11.551 ( -0.000 7.499 2.049) 7.774 14.580 ( 0.000 -7.093 -3.422) 7.876 16.038 ( 0.000 1.952 -4.704) 5.093 18.359 ( -0.000 -21.717 7.648) 23.024======================= Grid point 1501 (487/580) =======================q-point: ( 0.61 0.56 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.892 ( -0.284 -0.513 2.745) 2.806 1.995 ( 0.388 0.172 0.823) 0.926 4.324 ( -0.659 -15.237 32.290) 35.711 5.283 ( -6.439 -14.240 -24.142) 28.759 5.825 ( 21.428 21.808 -3.178) 30.738 10.393 ( -0.220 30.594 -5.576) 31.099 10.654 ( 6.992 12.094 -3.011) 14.291 11.466 ( -0.724 -1.406 3.451) 3.796 11.681 ( -0.532 15.168 3.191) 15.509 14.518 ( 3.550 -10.097 0.791) 10.732 16.012 ( -4.869 4.687 -6.804) 9.590 18.131 ( -3.741 -21.310 6.938) 22.721======================= Grid point 1502 (488/580) =======================q-point: ( 0.67 0.56 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.889 ( -0.317 -0.454 2.556) 2.615 2.006 ( 0.441 0.048 0.512) 0.678 4.218 ( -0.800 -21.501 27.295) 34.755 4.979 ( -8.132 -5.728 -21.441) 23.636 6.534 ( 35.187 21.034 -1.575) 41.025 10.566 ( 1.027 9.516 -2.954) 10.017 10.945 ( 9.641 14.851 -6.347) 18.809 11.487 ( 1.064 2.870 4.235) 5.225 11.825 ( -5.542 20.057 3.298) 21.069 14.513 ( 7.465 -11.132 4.538) 14.151 15.926 ( -8.832 6.871 -8.380) 13.980 17.849 ( -6.666 -20.191 5.802) 22.040======================= Grid point 1503 (489/580) =======================q-point: ( 0.72 0.56 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.888 ( -0.175 -0.169 2.154) 2.168 2.014 ( 0.344 0.006 0.306) 0.460 4.034 ( -1.676 -23.075 16.898) 28.650 4.771 ( -7.597 1.748 -13.048) 15.200 7.430 ( 43.220 20.789 -0.824) 47.967 10.639 ( 2.044 1.483 -1.190) 2.792 11.208 ( 8.682 9.133 -6.564) 14.209 11.574 ( 0.749 7.298 4.486) 8.599 11.868 ( -11.175 14.347 2.094) 18.306 14.592 ( 11.922 -9.763 6.678) 16.795 15.804 ( -11.455 9.481 -8.452) 17.104 17.539 ( -8.177 -18.175 4.149) 20.357======================= Grid point 1520 (490/580) =======================q-point: ( 0.61 0.61 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.898 ( -0.000 -0.585 3.413) 3.463 1.994 ( -0.000 0.006 0.664) 0.664 4.244 ( -0.000 -21.680 30.961) 37.797 5.139 ( 0.000 -9.460 -23.385) 25.226 5.834 ( -0.000 19.950 -2.074) 20.057 10.646 ( 0.000 6.724 -1.843) 6.972 10.656 ( 0.000 20.006 -9.364) 22.089 11.434 ( -0.000 -4.392 2.848) 5.234 11.953 ( -0.000 29.812 5.774) 30.366 14.388 ( -0.000 -11.090 3.931) 11.766 16.084 ( 0.000 5.709 -8.468) 10.213 17.974 ( -0.000 -20.709 6.999) 21.860======================= Grid point 1521 (491/580) =======================q-point: ( 0.67 0.61 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.900 ( -0.359 -0.551 3.735) 3.793 1.999 ( 0.388 -0.125 0.503) 0.647 4.076 ( -0.983 -25.805 25.115) 36.023 4.990 ( -3.771 -0.554 -18.096) 18.493 6.202 ( 21.624 15.707 -1.327) 26.760 10.658 ( -2.800 7.015 -3.380) 8.275 10.871 ( 8.392 8.552 -8.050) 14.434 11.431 ( 3.597 -3.368 2.846) 5.691 12.238 ( -6.182 31.190 5.751) 32.312 14.323 ( 3.577 -10.911 7.048) 13.473 16.082 ( -4.130 7.283 -10.063) 13.090 17.760 ( -3.670 -19.441 6.697) 20.887======================= Grid point 1523 (492/580) =======================q-point: (-0.28 -0.39 -0.78)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.900 ( -0.372 -0.270 3.602) 3.631 2.007 ( 0.485 -0.176 0.430) 0.672 3.868 ( -0.741 -24.242 17.363) 29.828 4.886 ( -5.888 5.069 -11.742) 14.080 6.866 ( 37.965 12.280 -0.583) 39.906 10.662 ( -1.870 3.422 -2.269) 4.512 11.077 ( 10.310 4.859 -7.210) 13.487 11.509 ( 6.976 -1.468 2.116) 7.436 12.346 ( -14.962 21.921 4.736) 26.960 14.348 ( 7.912 -8.146 9.155) 14.586 16.037 ( -7.178 10.140 -10.711) 16.403 17.503 ( -6.430 -17.515 5.948) 19.583======================= Grid point 1541 (493/580) =======================q-point: (-0.33 -0.33 -0.78)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.910 ( -0.000 -0.599 4.677) 4.715 1.995 ( -0.000 -0.289 0.386) 0.482 3.886 ( -0.000 -26.932 21.114) 34.222 4.997 ( 0.000 5.015 -13.468) 14.371 6.139 ( -0.000 11.172 -1.018) 11.218 10.762 ( 0.000 6.034 -2.089) 6.386 10.817 ( 0.000 5.557 -10.331) 11.731 11.360 ( -0.000 -4.787 3.107) 5.707 12.613 ( -0.000 26.391 5.684) 26.996 14.217 ( -0.000 -8.498 9.754) 12.937 16.162 ( 0.000 8.495 -11.935) 14.649 17.625 ( -0.000 -17.961 7.313) 19.393======================= Grid point 1542 (494/580) =======================q-point: (-0.28 -0.33 -0.78)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.916 ( -0.364 -0.416 4.928) 4.959 1.997 ( 0.477 -0.394 0.425) 0.751 3.681 ( -0.059 -24.061 16.193) 29.002 5.008 ( -3.362 9.521 -9.216) 13.670 6.423 ( 22.153 6.641 -0.480) 23.132 10.743 ( -3.918 4.061 -4.294) 7.090 10.936 ( 7.963 3.975 -7.276) 11.496 11.371 ( 5.533 -4.237 2.641) 7.453 12.752 ( -8.717 11.563 4.930) 15.297 14.226 ( 3.505 -1.781 11.812) 12.449 16.194 ( -2.913 11.159 -13.343) 17.637 17.444 ( -3.696 -15.922 7.662) 18.052======================= Grid point 1561 (495/580) =======================q-point: (-0.28 -0.28 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.932 ( -0.000 -0.464 5.918) 5.936 1.988 ( -0.000 -0.592 0.249) 0.643 3.493 ( -0.000 -21.971 13.662) 25.872 5.136 ( 0.000 14.458 -6.451) 15.832 6.265 ( 0.000 1.632 -0.444) 1.692 10.824 ( 0.000 1.878 -10.446) 10.614 10.863 ( 0.000 5.545 -2.810) 6.216 11.276 ( -0.000 -5.729 3.791) 6.869 12.867 ( -0.000 -7.202 4.836) 8.675 14.272 ( -0.000 8.619 13.588) 16.091 16.294 ( 0.000 13.053 -15.828) 20.516 17.355 ( -0.000 -13.463 9.279) 16.352======================= Grid point 1734 (496/580) =======================q-point: ( 0.28 0.28 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 570Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.686 ( -0.000 -0.000 16.058) 16.058 0.686 ( -0.000 -0.000 16.058) 16.058 2.421 ( 0.000 0.000 -17.253) 17.253 2.421 ( 0.000 0.000 -17.253) 17.253 3.482 ( -0.000 -0.000 71.426) 71.426 8.394 ( 0.000 0.000 -38.042) 38.042 10.131 ( 0.000 0.000 -5.608) 5.608 10.131 ( 0.000 0.000 -5.608) 5.608 11.791 ( -0.000 -0.000 5.536) 5.536 11.791 ( -0.000 -0.000 5.536) 5.536 19.277 ( -0.000 -0.000 7.714) 7.714 20.227 ( 0.000 0.000 -3.890) 3.890======================= Grid point 1735 (497/580) =======================q-point: ( 0.33 0.28 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.053 ( 22.195 12.814 15.351) 29.874 1.368 ( 28.936 16.706 14.747) 36.522 2.429 ( 6.494 3.749 -18.064) 19.558 2.666 ( 27.322 15.774 -16.576) 35.638 3.752 ( 6.738 3.890 66.306) 66.761 8.210 ( -5.480 -3.164 -37.400) 37.931 10.131 ( 1.312 0.757 -5.438) 5.645 10.950 ( 58.572 33.817 -22.989) 71.434 11.789 ( -1.360 -0.785 5.288) 5.516 11.815 ( 2.320 1.339 3.351) 4.290 19.009 ( -25.661 -14.815 6.553) 30.347 19.988 ( -14.685 -8.478 6.820) 18.277======================= Grid point 1736 (498/580) =======================q-point: ( 0.39 0.28 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.576 ( 15.864 9.159 14.531) 23.382 1.768 ( 6.507 3.757 8.414) 11.280 2.667 ( 19.972 11.531 -16.729) 28.491 3.394 ( 24.092 13.910 18.244) 33.268 4.383 ( 39.746 22.947 33.859) 57.033 7.922 ( -9.816 -5.668 -36.073) 37.812 10.159 ( 2.569 1.483 -5.199) 5.985 11.653 ( 0.947 0.547 3.264) 3.442 11.761 ( -2.350 -1.357 4.864) 5.569 12.466 ( 55.816 32.225 -31.294) 71.647 18.239 ( -38.431 -22.188 6.878) 44.906 19.709 ( -12.583 -7.265 12.230) 18.992======================= Grid point 1737 (499/580) =======================q-point: ( 0.44 0.28 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.842 ( 5.418 3.128 8.089) 10.226 1.869 ( 1.932 1.115 3.915) 4.506 3.243 ( 31.144 17.981 -9.028) 37.077 3.813 ( 7.621 4.400 42.390) 43.294 5.670 ( 59.489 34.346 8.528) 69.219 7.546 ( -12.910 -7.454 -33.442) 36.615 10.219 ( 3.833 2.213 -4.895) 6.599 11.604 ( -4.363 -2.519 5.153) 7.207 11.712 ( -3.011 -1.738 4.322) 5.547 13.539 ( 42.261 24.400 -26.352) 55.460 17.394 ( -34.330 -19.820 3.033) 39.756 19.443 ( -13.813 -7.975 11.528) 19.680======================= Grid point 1738 (500/580) =======================q-point: ( 0.50 0.28 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.909 ( 1.066 0.616 1.458) 1.908 1.937 ( 2.030 1.172 3.667) 4.352 3.975 ( 32.466 18.745 -3.644) 37.666 4.080 ( 4.866 2.809 42.407) 42.778 6.734 ( 5.760 3.325 -17.703) 18.911 7.445 ( 35.988 20.778 -8.675) 42.452 10.306 ( 4.841 2.795 -4.476) 7.162 11.514 ( -4.238 -2.447 4.695) 6.782 11.650 ( -3.244 -1.873 3.670) 5.244 14.257 ( 25.620 14.792 -17.657) 34.453 16.700 ( -25.199 -14.549 -2.147) 29.176 19.135 ( -15.408 -8.896 9.357) 20.102======================= Grid point 1739 (501/580) =======================q-point: ( 0.56 0.28 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.933 ( 0.855 0.494 -0.251) 1.019 1.977 ( 0.940 0.543 1.604) 1.937 4.303 ( 4.110 2.373 36.880) 37.184 4.692 ( 29.501 17.033 -1.079) 34.082 6.279 ( -24.543 -14.170 -27.370) 39.398 8.669 ( 54.644 31.549 3.585) 63.200 10.412 ( 5.311 3.066 -3.779) 7.203 11.463 ( -0.352 -0.203 3.510) 3.534 11.586 ( -3.080 -1.778 2.794) 4.522 14.631 ( 10.639 6.142 -12.363) 17.429 16.227 ( -14.510 -8.378 -4.158) 17.263 18.788 ( -16.408 -9.473 6.548) 20.046======================= Grid point 1740 (502/580) =======================q-point: ( 0.61 0.28 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.948 ( 0.701 0.404 -1.587) 1.781 1.995 ( 0.398 0.230 0.566) 0.730 4.496 ( 3.994 2.306 29.784) 30.139 5.319 ( 24.338 14.052 0.093) 28.104 5.567 ( -29.144 -16.826 -26.054) 42.559 9.809 ( 39.881 23.025 6.456) 46.501 10.525 ( 5.207 3.006 -2.583) 6.543 11.525 ( -2.796 -1.614 1.500) 3.560 11.575 ( 11.130 6.426 0.762) 12.875 14.693 ( -1.369 -0.791 -11.772) 11.878 16.000 ( -4.867 -2.810 -0.956) 5.701 18.418 ( -16.674 -9.627 3.272) 19.529======================= Grid point 1741 (503/580) =======================q-point: ( 0.67 0.28 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.955 ( 0.450 0.260 -2.808) 2.856 2.001 ( 0.030 0.017 0.019) 0.039 4.673 ( 3.773 2.178 25.312) 25.684 4.802 ( -28.542 -16.479 -27.502) 42.924 5.809 ( 17.643 10.186 0.548) 20.379 10.474 ( 15.940 9.203 9.889) 20.894 10.637 ( 4.861 2.807 -0.831) 5.674 11.462 ( -2.872 -1.658 -0.263) 3.327 12.036 ( 27.616 15.944 -3.142) 32.043 14.542 ( -7.451 -4.302 -12.810) 15.431 15.965 ( 0.815 0.470 4.858) 4.949 18.041 ( -16.045 -9.264 -0.465) 18.533======================= Grid point 1742 (504/580) =======================q-point: ( 0.72 0.28 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.951 ( 0.073 0.042 -4.216) 4.216 1.997 ( -0.258 -0.149 -0.230) 0.376 4.074 ( -26.221 -15.139 -19.969) 36.270 4.874 ( 7.803 4.505 13.308) 16.071 6.132 ( 9.846 5.684 0.606) 11.385 10.721 ( 4.930 2.846 10.757) 12.171 10.747 ( 4.689 2.707 1.172) 5.540 11.384 ( -3.645 -2.105 -2.213) 4.756 12.661 ( 22.787 13.156 -4.871) 26.760 14.321 ( -6.607 -3.815 -13.108) 15.166 16.060 ( 5.506 3.179 10.602) 12.362 17.679 ( -14.334 -8.275 -4.658) 17.194======================= Grid point 1753 (505/580) =======================q-point: ( 0.33 0.33 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.113 ( -0.000 24.807 15.277) 29.133 1.414 ( -0.000 34.112 15.881) 37.627 2.415 ( 0.000 9.962 -18.873) 21.341 2.574 ( 0.000 31.491 -18.172) 36.358 3.946 ( -0.000 5.539 65.939) 66.172 8.103 ( 0.000 -4.919 -39.239) 39.546 10.110 ( 0.000 1.264 -4.871) 5.032 10.915 ( 0.000 69.899 -21.339) 73.084 11.805 ( -0.000 -1.556 4.652) 4.905 11.810 ( -0.000 -1.350 4.765) 4.952 19.027 ( -0.000 -30.051 6.203) 30.684 19.999 ( -0.000 -15.843 5.639) 16.816======================= Grid point 1754 (506/580) =======================q-point: ( 0.39 0.33 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.516 ( 10.973 17.798 15.558) 26.062 1.751 ( 4.650 8.472 10.350) 14.160 2.551 ( 7.605 20.518 -18.496) 28.652 3.188 ( 24.511 39.011 -3.365) 46.195 4.315 ( 12.116 18.613 53.294) 57.736 7.878 ( -5.363 -6.859 -38.525) 39.497 10.130 ( 1.707 2.338 -4.646) 5.474 11.682 ( 2.589 18.163 -2.744) 18.551 11.787 ( -1.197 -2.392 4.301) 5.065 12.020 ( 30.762 44.056 -20.948) 57.672 18.486 ( -21.348 -38.416 6.264) 44.393 19.809 ( -6.499 -12.834 10.006) 17.523======================= Grid point 1755 (507/580) =======================q-point: ( 0.44 0.33 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.815 ( 5.481 5.494 9.688) 12.413 1.862 ( 1.676 1.457 4.938) 5.414 3.025 ( 20.312 31.902 -11.200) 39.443 3.823 ( 12.182 12.095 30.006) 34.569 5.213 ( 40.690 42.640 20.804) 62.504 7.555 ( -9.495 -8.638 -36.400) 38.597 10.185 ( 2.534 3.971 -4.431) 6.467 11.670 ( -4.261 -1.969 4.745) 6.675 11.745 ( -1.908 -2.673 3.641) 4.903 13.092 ( 37.171 43.841 -25.272) 62.788 17.685 ( -27.666 -34.173 4.223) 44.171 19.577 ( -9.499 -12.309 10.318) 18.660======================= Grid point 1756 (508/580) =======================q-point: ( 0.50 0.33 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.900 ( 1.023 0.149 2.122) 2.361 1.928 ( 2.038 1.682 4.330) 5.073 3.740 ( 24.451 34.076 -4.543) 42.186 4.139 ( 5.726 3.243 38.552) 39.110 6.443 ( 38.090 30.942 3.710) 49.214 7.237 ( -0.138 2.274 -28.190) 28.282 10.269 ( 3.122 5.458 -4.085) 7.498 11.574 ( -4.670 -3.667 4.508) 7.455 11.692 ( -2.455 -2.183 3.064) 4.492 13.950 ( 27.006 27.913 -17.606) 42.643 16.929 ( -24.112 -25.925 -0.344) 35.406 19.291 ( -12.041 -12.970 8.689) 19.716======================= Grid point 1757 (509/580) =======================q-point: ( 0.56 0.33 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.919 ( 0.871 -0.129 0.368) 0.955 1.973 ( 0.954 0.797 1.825) 2.208 4.355 ( 4.255 1.094 35.032) 35.307 4.485 ( 22.984 32.227 -1.313) 39.605 6.427 ( -17.762 -14.404 -25.086) 33.945 8.105 ( 50.811 39.904 1.963) 64.637 10.376 ( 3.477 6.451 -3.534) 8.136 11.481 ( -2.674 -3.468 3.592) 5.664 11.637 ( -2.909 -0.982 2.440) 3.921 14.483 ( 14.281 15.326 -11.133) 23.722 16.351 ( -15.876 -17.473 -3.746) 23.903 18.954 ( -13.773 -13.545 6.265) 20.308======================= Grid point 1758 (510/580) =======================q-point: ( 0.61 0.33 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.931 ( 0.821 -0.239 -0.989) 1.307 1.994 ( 0.414 0.503 0.628) 0.905 4.526 ( 3.887 0.247 27.995) 28.265 5.141 ( 17.452 24.330 -1.097) 29.962 5.826 ( -23.891 -12.062 -22.506) 34.968 9.348 ( 45.788 32.595 4.876) 56.416 10.496 ( 3.550 7.069 -2.643) 8.340 11.462 ( 3.433 -1.694 1.587) 4.144 11.592 ( -2.645 1.277 1.680) 3.383 14.689 ( 1.126 5.710 -8.864) 10.604 16.019 ( -5.379 -9.810 -2.714) 11.512 18.583 ( -14.669 -13.765 3.349) 20.393======================= Grid point 1759 (511/580) =======================q-point: ( 0.67 0.33 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.936 ( 0.666 -0.367 -2.169) 2.298 2.003 ( 0.028 0.365 -0.003) 0.366 4.668 ( 4.179 0.356 16.592) 17.114 5.013 ( -23.367 -21.134 -16.286) 35.466 5.800 ( 7.699 30.274 -0.564) 31.242 10.265 ( 25.313 16.795 7.861) 31.379 10.631 ( 3.768 9.131 -0.695) 9.903 11.503 ( -1.386 -0.271 -0.453) 1.484 11.726 ( 18.391 8.048 -1.556) 20.135 14.618 ( -7.790 -0.146 -10.091) 12.749 15.930 ( 2.327 -4.428 2.589) 5.632 18.194 ( -14.738 -13.490 0.008) 19.980======================= Grid point 1760 (512/580) =======================q-point: ( 0.72 0.33 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.932 ( 0.335 -0.505 -3.418) 3.471 2.003 ( -0.294 0.287 -0.332) 0.528 4.298 ( -25.146 -17.203 -23.184) 38.285 4.825 ( 5.745 -0.155 17.923) 18.821 6.193 ( 2.836 26.858 0.620) 27.015 10.620 ( 7.867 1.860 5.241) 9.634 10.807 ( 2.096 11.152 5.504) 12.611 11.451 ( -4.406 1.459 -1.593) 4.908 12.286 ( 30.508 10.134 -4.771) 32.499 14.405 ( -10.336 -1.896 -11.099) 15.285 15.999 ( 6.484 -0.835 8.403) 10.647 17.807 ( -13.845 -12.591 -3.716) 19.079======================= Grid point 1772 (513/580) =======================q-point: ( 0.39 0.39 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.640 ( -0.000 15.039 14.299) 20.752 1.818 ( -0.000 4.707 8.029) 9.307 2.661 ( 0.000 27.467 -17.923) 32.797 3.425 ( -0.000 44.700 3.476) 44.835 4.590 ( -0.000 28.676 47.311) 55.323 7.735 ( 0.000 -7.967 -39.278) 40.078 10.123 ( 0.000 2.768 -4.006) 4.869 11.778 ( -0.000 -3.570 4.018) 5.375 11.794 ( -0.000 -2.828 3.809) 4.744 12.248 ( 0.000 71.787 -26.725) 76.600 18.250 ( -0.000 -46.689 6.110) 47.087 19.752 ( -0.000 -14.600 9.897) 17.638======================= Grid point 1773 (514/580) =======================q-point: ( 0.44 0.39 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.824 ( 3.201 5.797 9.284) 11.404 1.871 ( 0.635 1.148 4.868) 5.041 3.052 ( 12.998 36.759 -12.023) 40.801 3.889 ( 6.862 20.146 24.079) 32.136 5.246 ( 17.831 49.734 26.293) 59.015 7.485 ( -5.292 -8.666 -37.883) 39.220 10.168 ( 2.498 3.962 -3.720) 5.981 11.727 ( -2.973 -4.253 3.922) 6.505 11.751 ( -1.436 -2.743 2.663) 4.084 13.033 ( 19.131 57.087 -23.103) 64.488 17.668 ( -13.885 -43.727 4.782) 46.127 19.590 ( -4.633 -15.247 9.574) 18.591======================= Grid point 1774 (515/580) =======================q-point: ( 0.50 0.39 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.892 ( 0.624 -0.026 2.596) 2.670 1.926 ( 1.713 1.831 4.427) 5.088 3.721 ( 20.601 39.947 -5.612) 45.295 4.196 ( 4.651 5.585 33.719) 34.493 6.241 ( 27.811 42.426 11.003) 51.909 7.205 ( -3.970 1.014 -32.729) 32.985 10.260 ( 3.529 5.753 -3.499) 7.602 11.625 ( -4.400 -5.017 3.605) 7.585 11.708 ( -1.310 -2.460 2.168) 3.530 13.813 ( 20.512 38.660 -16.921) 46.921 16.994 ( -17.842 -34.728 1.491) 39.072 19.346 ( -8.254 -16.085 8.204) 19.854======================= Grid point 1775 (516/580) =======================q-point: ( 0.56 0.39 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.905 ( 0.588 -0.399 0.986) 1.215 1.970 ( 0.936 0.901 1.964) 2.355 4.391 ( 4.561 1.162 31.795) 32.142 4.482 ( 19.673 39.250 -1.883) 43.944 6.456 ( -10.072 -13.757 -20.472) 26.642 7.773 ( 37.178 48.690 -1.275) 61.274 10.379 ( 3.568 7.359 -3.096) 8.744 11.507 ( -3.974 -5.086 2.937) 7.091 11.671 ( -1.451 -1.174 1.780) 2.579 14.390 ( 14.498 23.285 -10.560) 29.392 16.400 ( -15.060 -24.834 -1.997) 29.112 19.035 ( -10.896 -16.745 6.139) 20.900======================= Grid point 1776 (517/580) =======================q-point: ( 0.61 0.39 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.912 ( 0.621 -0.483 -0.275) 0.833 1.994 ( 0.491 0.582 0.736) 1.059 4.539 ( 3.338 -1.127 26.102) 26.339 5.155 ( 13.196 29.679 -2.668) 32.590 6.000 ( -15.279 -9.179 -19.157) 26.166 8.955 ( 42.038 41.971 3.077) 59.483 10.510 ( 3.339 8.218 -2.459) 9.205 11.420 ( -1.059 -3.913 1.756) 4.418 11.647 ( -1.637 0.800 1.372) 2.281 14.710 ( 4.440 12.121 -6.563) 14.481 15.985 ( -7.309 -16.283 -3.074) 18.111 18.675 ( -12.534 -17.039 3.607) 21.458======================= Grid point 1777 (518/580) =======================q-point: ( 0.67 0.39 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.915 ( 0.563 -0.543 -1.369) 1.576 2.005 ( 0.163 0.431 0.085) 0.469 4.647 ( 3.116 -1.288 15.218) 15.588 5.113 ( -17.020 -18.827 -12.271) 28.191 6.057 ( 4.806 37.999 -2.231) 38.367 10.001 ( 32.479 28.339 5.283) 43.427 10.654 ( 4.585 9.671 -1.419) 10.797 11.427 ( 5.562 -1.502 -0.922) 5.834 11.649 ( 0.098 3.251 0.868) 3.366 14.746 ( -6.934 4.673 -6.821) 10.791 15.816 ( 2.821 -9.539 0.576) 9.964 18.285 ( -13.245 -16.822 0.676) 21.422======================= Grid point 1778 (519/580) =======================q-point: ( 0.72 0.39 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.912 ( 0.343 -0.582 -2.433) 2.525 2.009 ( -0.122 0.357 -0.271) 0.464 4.460 ( -21.156 -15.656 -25.853) 36.893 4.778 ( 3.176 -5.961 22.619) 23.606 6.525 ( 0.544 41.201 0.368) 41.206 10.534 ( 8.395 6.933 4.177) 11.662 10.895 ( 5.743 14.723 4.411) 16.407 11.518 ( 0.886 2.733 -2.487) 3.799 11.853 ( 22.691 5.118 -2.834) 23.433 14.572 ( -12.364 1.508 -8.482) 15.069 15.860 ( 8.616 -5.030 6.223) 11.759 17.887 ( -13.053 -15.929 -2.597) 20.757======================= Grid point 1791 (520/580) =======================q-point: ( 0.44 0.44 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.874 ( -0.000 3.893 7.182) 8.169 1.886 ( -0.000 0.192 3.708) 3.713 3.274 ( 0.000 39.124 -10.226) 40.439 4.096 ( -0.000 13.542 28.899) 31.914 5.713 ( -0.000 57.153 20.101) 60.585 7.337 ( 0.000 -6.496 -37.655) 38.212 10.173 ( 0.000 4.312 -3.063) 5.289 11.706 ( -0.000 -5.251 2.130) 5.666 11.746 ( -0.000 -3.900 2.920) 4.872 13.385 ( 0.000 54.434 -20.006) 57.994 17.349 ( 0.000 -44.155 4.427) 44.377 19.495 ( -0.000 -16.952 8.896) 19.145======================= Grid point 1792 (521/580) =======================q-point: ( 0.50 0.44 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.894 ( 0.009 -0.206 2.638) 2.646 1.932 ( 1.085 1.712 4.063) 4.540 3.782 ( 14.769 39.572 -6.320) 42.708 4.299 ( 1.712 5.434 31.582) 32.092 6.372 ( 8.263 33.916 8.167) 35.851 7.218 ( 0.128 17.388 -29.786) 34.490 10.243 ( 3.295 5.369 -2.703) 6.855 11.636 ( -2.315 -5.937 1.815) 6.626 11.705 ( -0.741 -3.301 2.135) 4.001 13.910 ( 9.340 40.839 -15.519) 44.676 16.864 ( -8.551 -37.052 2.771) 38.127 19.307 ( -4.223 -18.117 7.731) 20.146======================= Grid point 1793 (522/580) =======================q-point: ( 0.56 0.44 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.898 ( 0.139 -0.425 1.532) 1.596 1.970 ( 0.826 0.899 1.986) 2.331 4.411 ( 7.811 8.982 21.719) 24.767 4.535 ( 15.729 30.657 4.222) 34.714 6.396 ( -6.402 -14.856 -17.165) 23.586 7.805 ( 20.347 58.364 -3.713) 61.921 10.369 ( 4.744 6.713 -2.367) 8.554 11.526 ( -3.639 -5.836 1.654) 7.074 11.676 ( -0.231 -1.862 1.392) 2.336 14.387 ( 10.725 25.782 -10.299) 29.762 16.366 ( -11.428 -27.038 0.313) 29.356 19.036 ( -7.735 -18.883 6.039) 21.281======================= Grid point 1794 (523/580) =======================q-point: ( 0.61 0.44 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.900 ( 0.230 -0.473 0.525) 0.743 1.993 ( 0.523 0.584 0.834) 1.145 4.549 ( 2.424 -2.060 24.667) 24.871 5.208 ( 14.275 28.824 -4.985) 32.549 6.044 ( -6.344 -9.539 -15.830) 19.541 8.807 ( 28.798 51.869 0.869) 59.334 10.516 ( 4.400 7.483 -1.822) 8.870 11.418 ( -2.825 -4.510 1.139) 5.442 11.669 ( 0.049 0.052 0.953) 0.956 14.724 ( 7.422 14.067 -5.573) 16.853 15.948 ( -9.697 -18.093 -1.703) 20.598 18.702 ( -10.257 -19.225 3.933) 22.142======================= Grid point 1795 (524/580) =======================q-point: ( 0.67 0.44 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.900 ( 0.253 -0.481 -0.405) 0.677 2.006 ( 0.269 0.418 0.208) 0.538 4.627 ( 2.292 -2.662 16.394) 16.766 5.166 ( -14.469 -17.650 -12.947) 26.240 6.290 ( 13.558 37.845 -2.221) 40.262 9.793 ( 29.765 39.057 2.316) 49.160 10.655 ( 4.068 6.773 -1.248) 7.999 11.361 ( 0.215 -2.050 0.124) 2.065 11.683 ( 0.079 2.083 0.610) 2.172 14.878 ( -1.295 7.390 -3.549) 8.300 15.682 ( -1.899 -12.247 -0.868) 12.423 18.325 ( -11.713 -19.026 1.461) 22.390======================= Grid point 1796 (525/580) =======================q-point: ( 0.72 0.44 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.896 ( 0.159 -0.444 -1.281) 1.365 2.013 ( 0.044 0.326 -0.136) 0.355 4.572 ( -16.089 -10.444 -26.826) 32.978 4.727 ( -0.112 -13.340 25.366) 28.660 6.917 ( 7.576 45.860 0.183) 46.482 10.502 ( 10.539 17.465 3.461) 20.690 10.865 ( 14.709 11.766 0.540) 18.844 11.404 ( 6.837 0.562 -2.534) 7.313 11.720 ( 1.471 3.245 0.231) 3.570 14.801 ( -11.738 4.717 -5.478) 13.786 15.649 ( 8.715 -8.388 4.201) 12.805 17.929 ( -12.152 -18.071 -1.328) 21.818======================= Grid point 1811 (526/580) =======================q-point: ( 0.50 0.50 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.899 ( -0.000 -0.369 2.319) 2.348 1.949 ( -0.000 1.297 3.102) 3.362 4.021 ( 0.000 38.843 -5.784) 39.272 4.416 ( -0.000 1.972 30.439) 30.502 6.483 ( 0.000 -3.875 -9.360) 10.131 7.503 ( 0.000 55.930 -12.947) 57.409 10.259 ( 0.000 5.703 -2.059) 6.064 11.603 ( 0.000 -5.396 0.455) 5.415 11.677 ( -0.000 -4.390 2.230) 4.923 14.170 ( 0.000 33.220 -13.053) 35.692 16.592 ( 0.000 -32.084 2.959) 32.220 19.177 ( -0.000 -19.407 6.967) 20.619======================= Grid point 1812 (527/580) =======================q-point: ( 0.56 0.50 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.900 ( -0.173 -0.363 1.874) 1.916 1.972 ( 0.533 0.801 1.836) 2.072 4.465 ( 4.486 13.986 14.858) 20.892 4.577 ( 11.370 21.962 8.332) 26.097 6.269 ( -4.179 -19.326 -17.387) 26.330 8.183 ( 7.831 65.406 -3.679) 65.976 10.349 ( 3.824 6.424 -1.635) 7.653 11.528 ( -2.567 -4.969 0.378) 5.605 11.649 ( 0.860 -3.282 1.489) 3.705 14.458 ( 5.113 20.656 -9.300) 23.223 16.267 ( -5.919 -22.650 1.845) 23.483 18.961 ( -4.088 -20.171 5.776) 21.376======================= Grid point 1813 (528/580) =======================q-point: ( 0.61 0.50 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.898 ( -0.178 -0.351 1.288) 1.347 1.992 ( 0.504 0.528 0.889) 1.150 4.566 ( 0.998 -2.791 23.413) 23.599 5.197 ( 16.979 27.661 -6.060) 33.017 5.940 ( -1.649 -15.128 -14.118) 20.758 8.999 ( 14.010 58.687 -1.501) 60.355 10.498 ( 5.397 7.079 -1.133) 8.973 11.431 ( -3.236 -3.748 0.531) 4.980 11.652 ( 1.589 -1.063 0.769) 2.060 14.694 ( 7.334 8.780 -4.682) 12.361 15.957 ( -9.325 -12.972 -0.204) 15.977 18.669 ( -7.520 -20.474 4.189) 22.210======================= Grid point 1814 (529/580) =======================q-point: ( 0.67 0.50 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.895 ( -0.142 -0.331 0.645) 0.738 2.006 ( 0.335 0.372 0.318) 0.593 4.613 ( 1.361 -4.349 18.704) 19.251 5.181 ( -12.406 -17.438 -15.494) 26.421 6.288 ( 25.934 31.242 -1.623) 40.636 9.807 ( 18.032 46.164 -0.828) 49.568 10.651 ( 3.858 6.766 -0.344) 7.796 11.359 ( -1.782 -1.264 0.373) 2.217 11.684 ( 1.778 1.102 0.334) 2.118 14.864 ( 7.248 1.428 -0.509) 7.404 15.687 ( -9.876 -6.420 -1.898) 11.931 18.321 ( -9.901 -20.229 2.252) 22.634======================= Grid point 1815 (530/580) =======================q-point: ( 0.72 0.50 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1467Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.891 ( -0.143 -0.248 -0.000) 0.287 2.014 ( 0.160 0.277 -0.000) 0.320 4.640 ( -0.696 -1.205 -0.000) 1.392 4.678 ( -13.777 -23.862 0.000) 27.554 7.096 ( 23.242 40.257 -0.000) 46.485 10.521 ( 18.115 31.376 -0.000) 36.230 10.747 ( 1.812 3.138 -0.000) 3.624 11.358 ( 1.212 2.100 -0.000) 2.425 11.731 ( 1.372 2.377 -0.000) 2.745 14.954 ( 0.592 1.026 -0.000) 1.184 15.502 ( -2.841 -4.921 -0.000) 5.683 17.941 ( -11.083 -19.196 -0.000) 22.166======================= Grid point 1831 (531/580) =======================q-point: ( 0.56 0.56 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.905 ( -0.000 -0.283 1.981) 2.001 1.980 ( -0.000 0.609 1.415) 1.540 4.572 ( -0.000 -2.651 24.995) 25.135 4.733 ( -0.000 34.405 -3.786) 34.613 6.037 ( 0.000 -23.555 -17.632) 29.424 8.772 ( -0.000 65.316 -3.466) 65.408 10.374 ( 0.000 6.626 -1.114) 6.719 11.518 ( 0.000 -2.245 -0.347) 2.272 11.600 ( -0.000 -4.366 1.749) 4.703 14.550 ( 0.000 10.645 -6.543) 12.495 16.138 ( 0.000 -14.072 1.552) 14.157 18.807 ( -0.000 -20.849 5.198) 21.488======================= Grid point 1832 (532/580) =======================q-point: ( 0.61 0.56 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.905 ( -0.336 -0.219 1.890) 1.932 1.992 ( 0.365 0.409 0.856) 1.016 4.599 ( -0.634 -4.131 22.431) 22.817 5.184 ( 12.639 27.623 -5.009) 30.788 5.725 ( 0.089 -21.467 -14.791) 26.069 9.431 ( 4.607 58.175 -3.760) 58.478 10.478 ( 4.198 7.105 -0.729) 8.285 11.469 ( -3.566 -0.429 0.743) 3.667 11.599 ( 2.825 -1.816 0.811) 3.455 14.629 ( 4.053 0.945 -2.208) 4.712 15.995 ( -5.357 -5.743 -0.434) 7.866 18.575 ( -4.054 -21.030 4.252) 21.836======================= Grid point 1833 (533/580) =======================q-point: ( 0.67 0.56 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.901 ( -0.465 -0.182 1.636) 1.711 2.004 ( 0.381 0.277 0.408) 0.624 4.606 ( 0.043 -6.876 21.635) 22.702 5.152 ( -10.228 -17.477 -18.344) 27.323 6.053 ( 30.455 24.402 -1.251) 39.045 10.044 ( 7.554 43.478 -4.171) 44.326 10.650 ( 5.840 9.457 -0.312) 11.119 11.414 ( -3.864 2.442 1.859) 4.935 11.652 ( 2.891 1.529 0.175) 3.275 14.705 ( 7.423 -5.358 2.352) 9.452 15.831 ( -9.546 -0.081 -2.873) 9.969 18.275 ( -7.416 -20.669 2.953) 22.157======================= Grid point 1851 (534/580) =======================q-point: ( 0.61 0.61 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.914 ( -0.000 -0.131 2.295) 2.298 1.994 ( -0.000 0.253 0.674) 0.719 4.623 ( -0.000 -6.485 22.498) 23.414 5.343 ( -0.000 28.002 -2.503) 28.113 5.425 ( 0.000 -25.442 -17.454) 30.853 9.929 ( 0.000 49.509 -6.142) 49.888 10.506 ( -0.000 6.796 -0.492) 6.814 11.525 ( -0.000 -4.090 1.497) 4.355 11.567 ( -0.000 9.289 1.415) 9.396 14.571 ( -0.000 -4.878 1.569) 5.124 16.008 ( 0.000 -0.727 -2.210) 2.327 18.412 ( -0.000 -21.041 4.022) 21.422======================= Grid point 1853 (535/580) =======================q-point: (-0.33 -0.39 -0.72)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.915 ( -0.486 -0.084 2.478) 2.527 2.001 ( 0.331 0.128 0.434) 0.561 4.597 ( -1.115 -12.055 26.081) 28.754 5.066 ( -6.547 -17.189 -21.868) 28.575 5.804 ( 21.773 22.520 -1.399) 31.356 10.335 ( 0.918 30.751 -7.195) 31.595 10.634 ( 6.427 9.619 -1.269) 11.637 11.491 ( -0.099 -1.348 2.097) 2.494 11.708 ( -1.453 17.608 2.563) 17.853 14.547 ( 3.757 -8.337 5.500) 10.671 15.962 ( -4.972 2.281 -4.475) 7.067 18.178 ( -4.034 -20.498 3.466) 21.177======================= Grid point 1872 (536/580) =======================q-point: (-0.33 -0.33 -0.72)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.928 ( -0.000 -0.029 3.139) 3.139 1.999 ( -0.000 -0.031 0.347) 0.349 4.523 ( -0.000 -23.941 30.527) 38.795 4.919 ( 0.000 -6.317 -25.266) 26.044 5.818 ( -0.000 20.244 -1.402) 20.293 10.567 ( 0.000 19.211 -10.288) 21.792 10.635 ( -0.000 6.239 -0.477) 6.257 11.454 ( -0.000 -3.920 1.596) 4.232 12.001 ( -0.000 30.853 4.732) 31.214 14.445 ( -0.000 -9.695 8.625) 12.976 16.016 ( 0.000 3.387 -6.516) 7.343 18.022 ( -0.000 -19.726 3.719) 20.074======================= Grid point 2084 (537/580) =======================q-point: ( 0.33 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 580Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.831 ( -0.000 -0.000 15.880) 15.880 0.831 ( -0.000 -0.000 15.880) 15.880 2.261 ( 0.000 0.000 -17.848) 17.848 2.261 ( 0.000 0.000 -17.848) 17.848 4.106 ( -0.000 -0.000 66.172) 66.172 8.033 ( 0.000 0.000 -41.432) 41.432 10.084 ( 0.000 0.000 -4.607) 4.607 10.084 ( 0.000 0.000 -4.607) 4.607 11.837 ( -0.000 -0.000 4.563) 4.563 11.837 ( -0.000 -0.000 4.563) 4.563 19.345 ( -0.000 -0.000 7.148) 7.148 20.192 ( 0.000 0.000 -3.848) 3.848======================= Grid point 2085 (538/580) =======================q-point: ( 0.39 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.198 ( 22.519 13.002 16.601) 30.851 1.510 ( 27.673 15.977 16.606) 36.011 2.261 ( 6.019 3.475 -18.746) 19.992 2.499 ( 30.461 17.587 -19.922) 40.423 4.337 ( 4.016 2.319 62.214) 62.387 7.854 ( -4.547 -2.625 -40.669) 41.007 10.086 ( 1.271 0.734 -4.290) 4.534 10.783 ( 52.902 30.543 -14.460) 62.774 11.832 ( -1.376 -0.794 4.198) 4.488 11.846 ( 0.272 0.157 3.201) 3.216 19.063 ( -25.858 -14.929 5.202) 30.308 20.032 ( -10.284 -5.938 3.279) 12.320======================= Grid point 2086 (539/580) =======================q-point: ( 0.44 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.713 ( 13.336 7.700 15.601) 21.921 1.840 ( 3.976 2.295 7.256) 8.587 2.514 ( 22.867 13.202 -16.800) 31.296 3.462 ( 42.394 24.476 0.124) 48.952 4.767 ( 23.012 13.286 47.440) 54.375 7.581 ( -8.679 -5.011 -38.691) 39.968 10.118 ( 2.533 1.463 -3.921) 4.892 11.680 ( 5.169 2.984 2.685) 6.545 11.800 ( -2.409 -1.391 3.672) 4.607 12.236 ( 50.758 29.305 -20.006) 61.931 18.288 ( -38.702 -22.345 4.228) 44.889 19.798 ( -11.561 -6.675 7.675) 15.399======================= Grid point 2087 (540/580) =======================q-point: ( 0.50 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.900 ( 0.925 0.534 2.834) 3.029 1.908 ( 3.118 1.800 6.263) 7.224 3.173 ( 33.763 19.493 -6.205) 39.477 4.132 ( 13.608 7.856 27.544) 31.711 5.796 ( 52.426 30.268 19.359) 63.557 7.230 ( -11.015 -6.359 -35.913) 38.098 10.180 ( 3.808 2.199 -3.506) 5.624 11.648 ( -4.374 -2.525 4.550) 6.798 11.745 ( -3.097 -1.788 3.024) 4.683 13.342 ( 44.171 25.502 -17.187) 53.822 17.412 ( -35.935 -20.747 1.070) 41.508 19.527 ( -13.858 -8.001 7.241) 17.564======================= Grid point 2088 (541/580) =======================q-point: ( 0.56 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.919 ( 0.447 0.258 0.752) 0.912 1.964 ( 1.170 0.676 2.191) 2.574 3.953 ( 33.474 19.326 -1.267) 38.673 4.415 ( 5.011 2.893 30.692) 31.233 6.578 ( -9.773 -5.642 -16.203) 19.746 7.384 ( 51.359 29.652 -4.470) 59.473 10.272 ( 4.870 2.812 -2.997) 6.372 11.553 ( -4.468 -2.579 3.875) 6.452 11.677 ( -3.372 -1.947 2.253) 4.499 14.131 ( 27.287 15.754 -10.244) 33.131 16.677 ( -26.521 -15.312 -2.876) 30.759 19.201 ( -15.829 -9.139 5.277) 19.024======================= Grid point 2089 (542/580) =======================q-point: ( 0.61 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.929 ( 0.371 0.214 -0.685) 0.808 1.987 ( 0.591 0.341 0.627) 0.927 4.585 ( 2.815 1.625 23.861) 24.082 4.691 ( 29.841 17.229 0.690) 34.465 6.057 ( -24.615 -14.211 -19.994) 34.750 8.703 ( 55.608 32.105 3.913) 64.330 10.385 ( 5.474 3.160 -2.249) 6.708 11.491 ( -0.944 -0.545 2.573) 2.795 11.605 ( -3.310 -1.911 1.275) 4.029 14.546 ( 10.705 6.180 -6.233) 13.843 16.191 ( -14.120 -8.152 -3.852) 16.753 18.830 ( -17.051 -9.844 2.673) 19.869======================= Grid point 2090 (543/580) =======================q-point: ( 0.67 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.932 ( 0.267 0.154 -1.893) 1.918 1.997 ( 0.245 0.142 -0.061) 0.290 4.692 ( 1.691 0.977 9.663) 9.858 5.326 ( 24.375 14.073 1.384) 28.180 5.383 ( -28.347 -16.366 -10.519) 34.381 9.870 ( 41.328 23.861 6.841) 48.210 10.509 ( 5.576 3.219 -1.090) 6.530 11.532 ( -3.187 -1.840 -0.020) 3.680 11.576 ( 9.652 5.572 -0.466) 11.155 14.609 ( -2.590 -1.495 -6.813) 7.440 15.997 ( -2.845 -1.642 0.324) 3.301 18.431 ( -17.512 -10.110 -0.348) 20.224======================= Grid point 2103 (544/580) =======================q-point: ( 0.39 0.39 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.255 ( -0.000 25.315 16.016) 29.956 1.567 ( -0.000 32.533 17.819) 37.093 2.241 ( 0.000 9.042 -19.480) 21.476 2.400 ( 0.000 34.371 -20.017) 39.774 4.518 ( -0.000 3.615 59.643) 59.753 7.737 ( 0.000 -4.262 -40.935) 41.156 10.071 ( 0.000 1.308 -3.637) 3.865 10.761 ( 0.000 62.070 -13.187) 63.455 11.843 ( -0.000 -1.770 3.661) 4.066 11.848 ( -0.000 -1.439 3.547) 3.827 19.077 ( -0.000 -30.319 4.726) 30.685 20.036 ( -0.000 -11.123 2.744) 11.457======================= Grid point 2104 (545/580) =======================q-point: ( 0.44 0.39 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.663 ( 10.366 15.798 17.049) 25.450 1.839 ( 2.555 4.984 8.835) 10.461 2.379 ( 9.022 22.317 -19.297) 30.851 3.128 ( 30.602 49.766 -7.969) 58.963 4.803 ( 7.291 11.156 52.179) 53.854 7.523 ( -4.637 -6.210 -39.167) 39.926 10.094 ( 1.578 2.372 -3.278) 4.344 11.625 ( 17.413 41.623 -8.664) 45.943 11.820 ( -1.185 -2.734 2.977) 4.212 11.909 ( 14.955 17.888 -5.333) 23.918 18.532 ( -21.433 -38.061 3.971) 43.861 19.881 ( -5.779 -11.073 5.956) 13.837======================= Grid point 2105 (546/580) =======================q-point: ( 0.50 0.39 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.892 ( 2.538 1.845 5.979) 6.752 1.903 ( 1.399 1.462 4.965) 5.362 2.936 ( 23.217 34.511 -8.143) 42.383 4.015 ( 21.448 22.393 13.259) 33.723 5.457 ( 31.285 32.804 31.331) 55.105 7.221 ( -8.484 -7.893 -36.359) 38.161 10.152 ( 2.459 3.950 -2.932) 5.499 11.710 ( -3.998 -2.018 3.956) 5.975 11.772 ( -1.751 -3.040 2.160) 4.120 12.908 ( 38.058 44.346 -15.477) 60.453 17.713 ( -28.776 -34.668 2.132) 45.105 19.651 ( -9.504 -11.878 6.111) 16.394======================= Grid point 2106 (547/580) =======================q-point: ( 0.56 0.39 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.914 ( 0.415 -0.198 1.118) 1.209 1.959 ( 1.107 0.890 2.445) 2.827 3.711 ( 25.803 34.708 -1.830) 43.288 4.426 ( 7.528 5.138 24.006) 25.678 6.507 ( 21.692 16.092 10.438) 28.956 6.985 ( 14.676 15.582 -26.579) 34.127 10.240 ( 3.115 5.418 -2.492) 6.728 11.610 ( -4.680 -3.953 3.453) 7.032 11.714 ( -2.369 -2.416 1.661) 3.769 13.827 ( 28.649 28.869 -9.440) 41.753 16.921 ( -25.639 -26.587 -1.269) 36.957 19.351 ( -12.424 -12.908 4.545) 18.483======================= Grid point 2107 (548/580) =======================q-point: ( 0.61 0.39 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.920 ( 0.379 -0.314 -0.280) 0.566 1.984 ( 0.559 0.575 0.631) 1.020 4.479 ( 23.154 31.459 0.402) 39.064 4.610 ( 3.831 1.755 19.334) 19.788 6.236 ( -18.803 -15.219 -15.586) 28.777 8.125 ( 52.516 40.761 2.505) 66.526 10.351 ( 3.569 6.440 -1.885) 7.600 11.508 ( -2.912 -3.898 2.481) 5.461 11.653 ( -2.968 -1.085 1.058) 3.332 14.412 ( 15.053 15.633 -4.364) 22.137 16.318 ( -16.472 -17.511 -3.528) 24.299 18.993 ( -14.387 -13.622 2.261) 19.941======================= Grid point 2108 (549/580) =======================q-point: ( 0.67 0.39 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.920 ( 0.362 -0.361 -1.402) 1.492 1.996 ( 0.228 0.446 -0.119) 0.515 4.689 ( 1.410 -0.346 4.910) 5.120 5.145 ( 16.726 22.068 2.595) 27.812 5.683 ( -21.719 -9.852 -6.677) 24.766 9.392 ( 46.971 32.933 4.678) 57.556 10.479 ( 3.829 7.114 -0.986) 8.139 11.470 ( 2.425 -2.498 0.377) 3.501 11.601 ( -2.823 1.344 0.397) 3.152 14.634 ( 0.157 5.079 -3.325) 6.072 16.000 ( -3.969 -8.810 -1.454) 9.771 18.596 ( -15.479 -13.931 -0.439) 20.830======================= Grid point 2123 (550/580) =======================q-point: ( 0.44 0.44 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.772 ( -0.000 11.483 14.619) 18.590 1.882 ( -0.000 1.986 5.850) 6.178 2.498 ( 0.000 31.170 -17.842) 35.915 3.422 ( -0.000 57.703 -2.134) 57.743 5.027 ( -0.000 18.099 46.484) 49.883 7.379 ( 0.000 -7.405 -38.018) 38.733 10.093 ( 0.000 2.793 -2.600) 3.815 11.801 ( -0.000 -2.440 0.496) 2.489 11.822 ( -0.000 -2.877 2.465) 3.789 12.062 ( 0.000 68.567 -14.042) 69.991 18.294 ( 0.000 -46.320 3.790) 46.475 19.823 ( -0.000 -13.266 5.960) 14.543======================= Grid point 2124 (551/580) =======================q-point: ( 0.50 0.44 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.896 ( 1.089 1.975 5.708) 6.138 1.911 ( 0.939 1.124 4.450) 4.685 2.953 ( 15.090 39.655 -9.285) 43.433 4.037 ( 10.745 32.955 9.919) 36.054 5.524 ( 13.648 37.803 32.509) 51.693 7.146 ( -4.698 -8.339 -35.536) 36.803 10.141 ( 2.367 3.975 -2.180) 5.114 11.754 ( -1.923 -4.977 1.870) 5.654 11.769 ( -2.071 -2.270 1.575) 3.453 12.870 ( 19.569 57.024 -12.929) 61.659 17.703 ( -14.508 -43.897 2.862) 46.321 19.658 ( -4.735 -14.676 5.527) 16.382======================= Grid point 2125 (552/580) =======================q-point: ( 0.56 0.44 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.910 ( 0.114 -0.335 1.373) 1.418 1.958 ( 0.945 0.971 2.468) 2.815 3.681 ( 22.135 40.693 -3.130) 46.429 4.432 ( 6.346 9.536 18.039) 21.368 6.386 ( 21.578 31.200 21.088) 43.403 6.905 ( 0.723 8.651 -33.189) 34.305 10.236 ( 3.421 5.752 -1.809) 6.933 11.651 ( -4.065 -5.533 2.064) 7.169 11.722 ( -1.278 -2.446 0.943) 2.917 13.698 ( 21.764 39.247 -8.473) 45.670 17.003 ( -19.128 -35.092 0.662) 39.972 19.402 ( -8.611 -15.827 4.100) 18.478======================= Grid point 2126 (553/580) =======================q-point: ( 0.61 0.44 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.910 ( 0.131 -0.460 0.193) 0.515 1.982 ( 0.547 0.674 0.681) 1.104 4.467 ( 21.276 39.432 -0.532) 44.809 4.612 ( 3.318 1.695 14.515) 14.985 6.310 ( -12.707 -16.586 -10.374) 23.328 7.768 ( 40.254 50.744 0.229) 64.771 10.359 ( 3.539 7.370 -1.318) 8.281 11.528 ( -3.872 -5.551 1.563) 6.946 11.682 ( -1.408 -1.228 0.640) 1.975 14.326 ( 15.697 23.555 -3.623) 28.537 16.384 ( -16.252 -24.877 -1.603) 29.758 19.072 ( -11.461 -16.588 2.086) 20.270======================= Grid point 2127 (554/580) =======================q-point: ( 0.67 0.44 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.907 ( 0.160 -0.469 -0.761) 0.908 1.997 ( 0.288 0.558 -0.078) 0.633 4.676 ( 0.744 -0.142 1.538) 1.715 5.151 ( 13.242 26.325 2.786) 29.600 5.890 ( -13.387 -7.191 -3.818) 15.668 8.981 ( 43.030 41.918 2.460) 60.123 10.495 ( 3.406 8.224 -0.674) 8.927 11.431 ( -1.399 -4.390 0.609) 4.647 11.654 ( -1.650 0.786 0.268) 1.847 14.676 ( 4.366 11.745 -0.882) 12.561 15.963 ( -7.077 -15.642 -1.645) 17.247 18.690 ( -13.291 -16.930 -0.287) 21.526======================= Grid point 2143 (555/580) =======================q-point: ( 0.50 0.50 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.912 ( -0.000 -0.237 2.126) 2.140 1.929 ( -0.000 1.839 4.888) 5.222 3.192 ( 0.000 41.277 -7.568) 41.965 4.288 ( -0.000 22.785 13.913) 26.697 5.932 ( -0.000 48.534 26.382) 55.241 7.003 ( 0.000 -6.546 -34.556) 35.171 10.152 ( 0.000 4.320 -1.502) 4.573 11.716 ( 0.000 -5.391 0.156) 5.393 11.766 ( -0.000 -3.851 1.519) 4.140 13.248 ( 0.000 54.471 -10.406) 55.456 17.382 ( 0.000 -44.285 3.034) 44.389 19.558 ( -0.000 -16.537 4.880) 17.242======================= Grid point 2144 (556/580) =======================q-point: ( 0.56 0.50 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.912 ( -0.198 -0.343 1.399) 1.454 1.961 ( 0.597 0.937 2.219) 2.482 3.734 ( 15.826 40.493 -4.208) 43.679 4.513 ( 1.860 9.297 14.969) 17.719 6.479 ( 3.110 10.023 15.022) 18.325 6.960 ( 5.148 37.469 -25.893) 45.835 10.226 ( 3.193 5.370 -1.018) 6.330 11.644 ( -1.824 -6.138 -0.073) 6.404 11.719 ( -1.000 -3.268 0.971) 3.552 13.807 ( 10.029 41.029 -7.227) 42.851 16.887 ( -9.264 -37.174 2.334) 38.381 19.358 ( -4.457 -17.806 3.678) 18.720======================= Grid point 2145 (557/580) =======================q-point: ( 0.61 0.50 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.908 ( -0.207 -0.361 0.683) 0.800 1.982 ( 0.493 0.685 0.711) 1.104 4.468 ( 22.137 36.445 -0.181) 42.642 4.639 ( 1.580 4.870 8.325) 9.773 6.287 ( -8.067 -19.043 -5.522) 21.406 7.778 ( 22.749 60.892 -2.104) 65.037 10.356 ( 4.663 6.732 -0.551) 8.207 11.534 ( -3.298 -6.090 0.073) 6.926 11.683 ( -0.329 -1.837 0.369) 1.902 14.325 ( 11.808 25.916 -3.412) 28.683 16.372 ( -12.543 -27.069 1.000) 29.850 19.073 ( -8.191 -18.579 1.998) 20.402======================= Grid point 2146 (558/580) =======================q-point: ( 0.67 0.50 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1467Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.902 ( -0.189 -0.327 -0.000) 0.377 1.997 ( 0.331 0.574 -0.000) 0.662 4.671 ( 0.075 0.130 -0.000) 0.150 5.179 ( 14.492 25.100 -0.000) 28.983 5.967 ( -4.670 -8.089 -0.000) 9.341 8.811 ( 29.798 51.612 -0.000) 59.596 10.508 ( 4.358 7.548 -0.000) 8.716 11.424 ( -2.735 -4.737 -0.000) 5.469 11.673 ( 0.032 0.056 -0.000) 0.065 14.698 ( 8.136 14.091 -0.000) 16.271 15.941 ( -10.397 -18.008 -0.000) 20.794 18.719 ( -10.913 -18.902 -0.000) 21.826======================= Grid point 2163 (559/580) =======================q-point: ( 0.56 0.56 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.916 ( -0.000 -0.290 1.255) 1.289 1.970 ( -0.000 0.782 1.527) 1.715 3.977 ( -0.000 39.390 -3.870) 39.579 4.612 ( -0.000 4.865 11.646) 12.621 6.427 ( 0.000 -17.255 -1.941) 17.363 7.409 ( 0.000 66.427 -7.605) 66.861 10.248 ( -0.000 5.674 -0.379) 5.687 11.600 ( 0.000 -5.471 -1.145) 5.589 11.691 ( -0.000 -4.230 0.786) 4.303 14.087 ( 0.000 33.349 -5.377) 33.780 16.620 ( 0.000 -32.214 3.182) 32.371 19.222 ( -0.000 -19.065 2.937) 19.290======================= Grid point 2164 (560/580) =======================q-point: ( 0.61 0.56 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.914 ( -0.340 -0.181 1.062) 1.130 1.984 ( 0.334 0.625 0.659) 0.968 4.488 ( 14.396 34.771 -1.348) 37.658 4.680 ( 1.230 3.796 4.475) 5.995 6.173 ( -4.149 -22.928 -2.370) 23.420 8.151 ( 8.614 66.483 -3.205) 67.116 10.342 ( 3.784 6.373 0.124) 7.412 11.525 ( -2.223 -4.804 -1.104) 5.408 11.657 ( 0.623 -3.203 0.261) 3.273 14.404 ( 5.670 21.078 -2.572) 21.978 16.289 ( -6.493 -23.116 2.874) 24.182 18.995 ( -4.347 -19.758 1.779) 20.309======================= Grid point 2184 (561/580) =======================q-point: (-0.39 -0.39 -0.67)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.920 ( -0.000 0.002 1.297) 1.297 1.988 ( -0.000 0.516 0.433) 0.674 4.697 ( -0.000 0.919 0.783) 1.207 4.705 ( -0.000 34.578 -2.393) 34.660 5.954 ( 0.000 -27.044 1.089) 27.065 8.739 ( -0.000 65.078 -3.907) 65.196 10.372 ( -0.000 6.485 0.589) 6.512 11.510 ( 0.000 -1.744 -1.484) 2.290 11.609 ( 0.000 -4.098 0.263) 4.106 14.519 ( -0.000 11.819 -0.241) 11.822 16.159 ( -0.000 -15.442 2.994) 15.730 18.836 ( 0.000 -20.320 1.272) 20.360======================= Grid point 2437 (562/580) =======================q-point: ( 0.39 0.39 0.39)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 570Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.969 ( -0.000 -0.000 14.317) 14.317 0.969 ( -0.000 -0.000 14.317) 14.317 2.105 ( 0.000 0.000 -16.200) 16.200 2.105 ( 0.000 0.000 -16.200) 16.200 4.667 ( -0.000 -0.000 56.810) 56.810 7.658 ( 0.000 0.000 -40.467) 40.467 10.048 ( 0.000 0.000 -3.248) 3.248 10.048 ( 0.000 0.000 -3.248) 3.248 11.872 ( -0.000 -0.000 3.227) 3.227 11.872 ( -0.000 -0.000 3.227) 3.227 19.403 ( -0.000 -0.000 5.630) 5.630 20.159 ( 0.000 0.000 -3.218) 3.218======================= Grid point 2438 (563/580) =======================q-point: ( 0.44 0.39 0.39)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.349 ( 24.035 13.877 16.283) 32.178 1.667 ( 25.586 14.772 18.156) 34.677 2.095 ( 4.597 2.654 -17.413) 18.204 2.312 ( 33.097 19.109 -21.079) 43.645 4.857 ( 2.967 1.713 51.351) 51.465 7.493 ( -4.023 -2.322 -37.939) 38.222 10.054 ( 1.235 0.713 -2.820) 3.160 10.682 ( 49.188 28.399 -8.086) 57.370 11.864 ( -1.380 -0.797 2.788) 3.212 11.871 ( -0.626 -0.362 2.174) 2.291 19.102 ( -26.347 -15.212 3.481) 30.622 20.052 ( -7.399 -4.272 1.389) 8.655======================= Grid point 2439 (564/580) =======================q-point: ( 0.50 0.39 0.39)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.851 ( 8.442 4.874 14.219) 17.240 1.896 ( 1.568 0.905 4.919) 5.242 2.371 ( 28.104 16.226 -14.217) 35.430 3.440 ( 51.566 29.772 -3.731) 59.660 5.182 ( 15.853 9.153 41.174) 45.060 7.244 ( -8.043 -4.643 -33.857) 35.108 10.089 ( 2.499 1.443 -2.364) 3.730 11.704 ( 10.443 6.029 2.923) 12.408 11.826 ( -2.459 -1.420 2.223) 3.606 12.095 ( 44.820 25.877 -11.587) 53.034 18.317 ( -39.097 -22.572 2.082) 45.193 19.850 ( -10.774 -6.220 3.907) 13.039======================= Grid point 2440 (565/580) =======================q-point: ( 0.56 0.39 0.39)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.919 ( 0.175 0.101 1.361) 1.376 1.950 ( 1.269 0.733 2.914) 3.262 3.136 ( 35.871 20.710 -1.838) 41.461 4.309 ( 20.726 11.966 11.832) 26.698 6.001 ( 46.172 26.658 23.244) 58.162 6.920 ( -11.126 -6.424 -30.012) 32.647 10.156 ( 3.783 2.184 -1.888) 4.759 11.685 ( -4.473 -2.582 3.418) 6.193 11.766 ( -3.187 -1.840 1.543) 3.991 13.228 ( 45.533 26.288 -8.092) 53.196 17.414 ( -37.152 -21.450 -0.469) 42.902 19.574 ( -13.901 -8.026 3.107) 16.349======================= Grid point 2441 (566/580) =======================q-point: ( 0.61 0.39 0.39)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.922 ( 0.004 0.002 -0.192) 0.192 1.975 ( 0.685 0.395 0.348) 0.864 3.953 ( 34.063 19.666 1.382) 39.357 4.612 ( 5.448 3.145 11.666) 13.255 6.459 ( -17.688 -10.212 -8.997) 22.319 7.369 ( 58.955 34.038 1.281) 68.087 10.252 ( 4.894 2.825 -1.340) 5.807 11.582 ( -4.654 -2.687 2.642) 5.988 11.691 ( -3.517 -2.031 0.735) 4.127 14.073 ( 28.361 16.374 -2.466) 32.841 16.649 ( -27.443 -15.844 -3.195) 31.849 19.230 ( -16.185 -9.345 1.160) 18.725======================= Grid point 2457 (567/580) =======================q-point: ( 0.44 0.44 0.39)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.397 ( -0.000 27.506 14.734) 31.204 1.735 ( -0.000 29.232 19.259) 35.006 2.071 ( 0.000 6.498 -17.473) 18.642 2.217 ( 0.000 38.261 -20.376) 43.349 5.001 ( -0.000 2.917 45.354) 45.447 7.386 ( 0.000 -4.087 -34.756) 34.995 10.045 ( 0.000 1.342 -2.148) 2.533 10.670 ( 0.000 57.292 -7.102) 57.731 11.870 ( -0.000 -1.746 2.298) 2.886 11.874 ( -0.000 -1.509 2.073) 2.565 19.111 ( 0.000 -30.768 2.880) 30.902 20.053 ( -0.000 -8.098 1.202) 8.187======================= Grid point 2458 (568/580) =======================q-point: ( 0.50 0.44 0.39)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.820 ( 8.517 11.730 17.213) 22.504 1.905 ( 0.699 1.580 5.396) 5.665 2.206 ( 11.827 25.961 -18.507) 34.005 3.064 ( 33.463 56.046 -5.528) 65.510 5.216 ( 5.609 8.837 36.412) 37.886 7.200 ( -4.229 -6.230 -29.477) 30.423 10.071 ( 1.480 2.404 -1.691) 3.291 11.554 ( 26.281 50.678 -5.916) 57.393 11.840 ( -1.368 -2.977 1.500) 3.603 11.888 ( 5.850 6.966 -0.535) 9.112 18.558 ( -21.627 -37.925 1.946) 43.701 19.920 ( -5.377 -9.845 2.769) 11.554======================= Grid point 2459 (569/580) =======================q-point: ( 0.56 0.44 0.39)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.919 ( 0.170 -0.150 1.441) 1.459 1.947 ( 1.051 0.865 3.001) 3.295 2.885 ( 25.986 36.207 -2.657) 44.646 4.085 ( 27.303 29.265 3.440) 40.171 5.720 ( 25.813 27.714 21.930) 43.764 6.937 ( -8.339 -8.745 -22.461) 25.506 10.133 ( 2.391 3.947 -1.250) 4.781 11.740 ( -3.793 -2.324 2.727) 5.218 11.784 ( -1.468 -3.405 0.542) 3.748 12.811 ( 38.637 44.785 -6.107) 59.463 17.725 ( -29.669 -34.894 0.395) 45.804 19.688 ( -9.612 -11.534 2.162) 15.169======================= Grid point 2460 (570/580) =======================q-point: ( 0.61 0.44 0.39)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.919 ( 0.002 -0.371 -0.101) 0.385 1.970 ( 0.554 0.636 0.102) 0.850 3.708 ( 26.772 34.688 1.285) 43.836 4.559 ( 8.751 6.864 4.964) 12.179 6.587 ( -11.701 -12.119 -0.698) 16.860 6.816 ( 47.028 42.336 -2.439) 63.324 10.225 ( 3.093 5.412 -0.750) 6.278 11.635 ( -4.619 -4.284 1.928) 6.588 11.722 ( -2.304 -2.546 0.282) 3.446 13.780 ( 29.806 29.294 -1.123) 41.807 16.907 ( -26.809 -26.820 -1.886) 37.968 19.373 ( -12.801 -12.827 0.417) 18.126======================= Grid point 2477 (571/580) =======================q-point: ( 0.50 0.50 0.39)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.895 ( -0.000 5.203 11.458) 12.584 1.921 ( -0.000 0.146 2.494) 2.498 2.350 ( 0.000 37.455 -13.848) 39.933 3.406 ( -0.000 63.269 -0.918) 63.275 5.375 ( -0.000 15.191 26.947) 30.934 7.087 ( 0.000 -8.053 -23.232) 24.588 10.077 ( 0.000 2.819 -1.007) 2.994 11.780 ( 0.000 8.514 -4.544) 9.651 11.838 ( -0.000 -2.894 0.949) 3.046 11.996 ( -0.000 56.022 -1.320) 56.038 18.319 ( 0.000 -45.991 1.782) 46.025 19.862 ( -0.000 -12.367 2.563) 12.629======================= Grid point 2478 (572/580) =======================q-point: ( 0.56 0.50 0.39)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.922 ( -0.181 -0.197 0.996) 1.032 1.949 ( 0.654 0.881 2.526) 2.754 2.891 ( 17.178 41.451 -4.011) 45.049 4.089 ( 12.434 39.350 2.343) 41.334 5.761 ( 11.781 34.343 14.549) 39.114 6.896 ( -4.522 -10.632 -14.963) 18.904 10.129 ( 2.278 4.001 -0.490) 4.630 11.758 ( -0.656 -4.736 -0.934) 4.872 11.782 ( -2.592 -2.637 0.948) 3.818 12.797 ( 19.609 56.518 -3.243) 59.911 17.721 ( -15.008 -43.695 1.207) 46.216 19.691 ( -4.912 -14.257 1.661) 15.171======================= Grid point 2479 (573/580) =======================q-point: ( 0.61 0.50 0.39)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1467Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.917 ( -0.205 -0.355 -0.000) 0.410 1.969 ( 0.440 0.762 0.000) 0.880 3.666 ( 23.409 40.546 -0.000) 46.819 4.515 ( 6.878 11.913 -0.000) 13.756 6.608 ( 30.268 52.426 0.000) 60.536 6.627 ( -8.510 -14.740 -0.000) 17.020 10.228 ( 3.336 5.778 -0.000) 6.672 11.660 ( -3.481 -6.030 -0.000) 6.963 11.726 ( -1.354 -2.346 -0.000) 2.709 13.659 ( 22.612 39.165 -0.000) 45.224 17.006 ( -20.135 -34.876 -0.000) 40.271 19.421 ( -8.993 -15.577 -0.000) 17.986======================= Grid point 2497 (574/580) =======================q-point: ( 0.56 0.56 0.39)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.924 ( -0.000 -0.250 0.367) 0.444 1.958 ( -0.000 0.799 1.241) 1.476 3.142 ( -0.000 42.272 -3.231) 42.395 4.355 ( -0.000 27.151 1.154) 27.175 6.111 ( -0.000 50.942 5.917) 51.284 6.785 ( 0.000 -13.228 -6.678) 14.818 10.146 ( -0.000 4.341 0.181) 4.345 11.709 ( 0.000 -5.326 -1.796) 5.621 11.773 ( 0.000 -3.776 0.003) 3.776 13.196 ( -0.000 53.759 -1.050) 53.770 17.404 ( 0.000 -43.845 1.778) 43.881 19.584 ( 0.000 -16.219 0.903) 16.244======================= Grid point 2793 (575/580) =======================q-point: ( 0.44 0.44 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 580Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.080 ( -0.000 -0.000 9.508) 9.508 1.080 ( -0.000 -0.000 9.508) 9.508 1.980 ( 0.000 0.000 -10.635) 10.635 1.980 ( 0.000 0.000 -10.635) 10.635 5.104 ( -0.000 -0.000 37.346) 37.346 7.331 ( 0.000 0.000 -29.222) 29.222 10.026 ( 0.000 0.000 -1.674) 1.674 10.026 ( 0.000 0.000 -1.674) 1.674 11.894 ( -0.000 -0.000 1.667) 1.667 11.894 ( -0.000 -0.000 1.667) 1.667 19.444 ( -0.000 -0.000 3.152) 3.152 20.136 ( 0.000 0.000 -1.881) 1.881======================= Grid point 2794 (576/580) =======================q-point: ( 0.50 0.44 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.477 ( 27.395 15.817 10.453) 33.316 1.836 ( 19.750 11.403 18.613) 29.437 1.963 ( 1.470 0.849 -10.266) 10.405 2.122 ( 39.064 22.554 -20.406) 49.509 5.225 ( 2.652 1.531 26.813) 26.987 7.210 ( -3.881 -2.241 -21.449) 21.912 10.036 ( 1.208 0.697 -1.179) 1.826 10.633 ( 47.481 27.413 -2.854) 54.901 11.882 ( -1.372 -0.792 1.198) 1.986 11.884 ( -1.101 -0.636 0.778) 1.491 19.125 ( -26.753 -15.446 1.435) 30.925 20.060 ( -5.905 -3.409 0.366) 6.828======================= Grid point 2795 (577/580) =======================q-point: ( 0.56 0.44 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.925 ( 0.056 0.033 1.437) 1.438 1.942 ( 1.024 0.591 3.226) 3.435 2.286 ( 35.784 20.660 -1.968) 41.367 3.411 ( 55.261 31.905 -2.092) 63.844 5.446 ( 13.654 7.883 12.986) 20.426 7.024 ( -7.873 -4.546 -10.858) 14.161 10.075 ( 2.468 1.425 -0.681) 2.930 11.737 ( 13.267 7.660 4.375) 15.932 11.839 ( -2.494 -1.440 0.646) 2.952 12.019 ( 41.937 24.212 -5.610) 48.749 18.327 ( -39.493 -22.801 0.130) 45.603 19.870 ( -10.462 -6.040 0.611) 12.096======================= Grid point 2813 (578/580) =======================q-point: ( 0.50 0.50 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.500 ( -0.000 32.107 6.060) 32.674 1.906 ( -0.000 12.191 15.612) 19.808 1.947 ( 0.000 1.554 -7.627) 7.784 2.043 ( 0.000 55.617 -15.278) 57.677 5.287 ( -0.000 2.930 14.303) 14.600 7.160 ( 0.000 -4.328 -11.701) 12.475 10.033 ( 0.000 1.369 -0.511) 1.461 10.629 ( -0.000 54.985 -1.997) 55.021 11.884 ( -0.000 -1.583 0.766) 1.758 11.885 ( -0.000 -1.558 0.458) 1.624 19.128 ( 0.000 -31.019 0.760) 31.029 20.060 ( 0.000 -6.670 0.336) 6.678======================= Grid point 2814 (579/580) =======================q-point: ( 0.56 0.50 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 1467Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.924 ( 0.362 0.627 -0.000) 0.725 1.941 ( 0.327 0.566 0.000) 0.653 2.086 ( 20.729 35.904 -0.000) 41.458 3.038 ( 33.898 58.713 -0.000) 67.796 5.396 ( 5.026 8.705 -0.000) 10.052 7.053 ( -3.888 -6.734 -0.000) 7.775 10.064 ( 1.407 2.437 -0.000) 2.815 11.527 ( 29.636 51.332 -0.000) 59.273 11.847 ( -1.698 -2.941 -0.000) 3.396 11.887 ( 3.075 5.326 -0.000) 6.150 18.567 ( -21.836 -37.821 -0.000) 43.672 19.932 ( -5.388 -9.332 -0.000) 10.776======================= Grid point 3155 (580/580) =======================q-point: (-0.50 -0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.58e-05 3.36e-05 3.36e-05 Number of triplets: 290Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.126 ( -0.000 -0.000 0.000) 0.000 1.126 ( -0.000 -0.000 0.000) 0.000 1.929 ( -0.000 -0.000 0.000) 0.000 1.929 ( -0.000 -0.000 0.000) 0.000 5.285 ( -0.000 -0.000 0.000) 0.000 7.187 ( -0.000 -0.000 0.000) 0.000 10.018 ( -0.000 -0.000 0.000) 0.000 10.018 ( -0.000 -0.000 0.000) 0.000 11.902 ( -0.000 -0.000 0.000) 0.000 11.902 ( -0.000 -0.000 0.000) 0.000 19.458 ( -0.000 -0.000 0.000) 0.000 20.127 ( -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 3/69984 10.0 1428.152 1428.152 4633.048 -0.000 -0.000 0.000 3/69984 20.0 796.756 796.756 2309.192 -0.000 -0.000 0.000 3/69984 30.0 404.599 404.599 1277.613 -0.000 -0.000 0.000 3/69984 40.0 261.880 261.880 868.149 -0.000 -0.000 0.000 3/69984 50.0 194.010 194.010 647.408 -0.000 -0.000 0.000 3/69984 60.0 152.796 152.796 505.895 -0.000 -0.000 0.000 3/69984 70.0 123.937 123.937 406.568 -0.000 -0.000 0.000 3/69984 80.0 102.513 102.513 333.365 -0.000 -0.000 0.000 3/69984 90.0 86.254 86.254 277.890 -0.000 -0.000 0.000 3/69984 100.0 73.754 73.754 235.064 -0.000 -0.000 0.000 3/69984 110.0 64.022 64.022 201.522 -0.000 -0.000 0.000 3/69984 120.0 56.340 56.340 174.913 -0.000 -0.000 0.000 3/69984 130.0 50.187 50.187 153.548 -0.000 -0.000 0.000 3/69984 140.0 45.187 45.187 136.195 -0.000 -0.000 0.000 3/69984 150.0 41.067 41.067 121.943 -0.000 -0.000 0.000 3/69984 160.0 37.628 37.628 110.113 -0.000 -0.000 0.000 3/69984 170.0 34.721 34.721 100.194 -0.000 -0.000 0.000 3/69984 180.0 32.238 32.238 91.797 -0.000 -0.000 0.000 3/69984 190.0 30.093 30.093 84.623 -0.000 -0.000 0.000 3/69984 200.0 28.225 28.225 78.443 -0.000 -0.000 0.000 3/69984 210.0 26.583 26.583 73.076 -0.000 -0.000 0.000 3/69984 220.0 25.129 25.129 68.380 -0.000 -0.000 0.000 3/69984 230.0 23.832 23.832 64.244 -0.000 -0.000 0.000 3/69984 240.0 22.669 22.669 60.578 -0.000 -0.000 0.000 3/69984 250.0 21.619 21.619 57.308 -0.000 -0.000 0.000 3/69984 260.0 20.667 20.667 54.376 -0.000 -0.000 0.000 3/69984 270.0 19.799 19.799 51.733 -0.000 -0.000 0.000 3/69984 280.0 19.004 19.004 49.340 -0.000 -0.000 0.000 3/69984 290.0 18.273 18.273 47.163 -0.000 -0.000 0.000 3/69984 300.0 17.599 17.599 45.176 -0.000 -0.000 0.000 3/69984 310.0 16.975 16.975 43.353 -0.000 -0.000 0.000 3/69984 320.0 16.396 16.396 41.677 -0.000 -0.000 0.000 3/69984 330.0 15.856 15.856 40.129 -0.000 -0.000 0.000 3/69984 340.0 15.352 15.352 38.696 -0.000 -0.000 0.000 3/69984 350.0 14.881 14.881 37.366 -0.000 -0.000 0.000 3/69984 360.0 14.438 14.438 36.127 -0.000 -0.000 0.000 3/69984 370.0 14.022 14.022 34.971 -0.000 -0.000 0.000 3/69984 380.0 13.630 13.630 33.890 -0.000 -0.000 0.000 3/69984 390.0 13.261 13.261 32.876 -0.000 -0.000 0.000 3/69984 400.0 12.911 12.911 31.923 -0.000 -0.000 0.000 3/69984 410.0 12.580 12.580 31.026 -0.000 -0.000 0.000 3/69984 420.0 12.266 12.266 30.179 -0.000 -0.000 0.000 3/69984 430.0 11.967 11.967 29.380 -0.000 -0.000 0.000 3/69984 440.0 11.683 11.683 28.623 -0.000 -0.000 0.000 3/69984 450.0 11.413 11.413 27.906 -0.000 -0.000 0.000 3/69984 460.0 11.155 11.155 27.226 -0.000 -0.000 0.000 3/69984 470.0 10.909 10.909 26.578 -0.000 -0.000 0.000 3/69984 480.0 10.674 10.674 25.962 -0.000 -0.000 0.000 3/69984 490.0 10.448 10.448 25.375 -0.000 -0.000 0.000 3/69984 500.0 10.233 10.233 24.815 -0.000 -0.000 0.000 3/69984 510.0 10.026 10.026 24.280 -0.000 -0.000 0.000 3/69984 520.0 9.828 9.828 23.769 -0.000 -0.000 0.000 3/69984 530.0 9.637 9.637 23.279 -0.000 -0.000 0.000 3/69984 540.0 9.454 9.454 22.809 -0.000 -0.000 0.000 3/69984 550.0 9.278 9.278 22.359 -0.000 -0.000 0.000 3/69984 560.0 9.108 9.108 21.927 -0.000 -0.000 0.000 3/69984 570.0 8.944 8.944 21.511 -0.000 -0.000 0.000 3/69984 580.0 8.787 8.787 21.112 -0.000 -0.000 0.000 3/69984 590.0 8.635 8.635 20.728 -0.000 -0.000 0.000 3/69984 600.0 8.488 8.488 20.357 -0.000 -0.000 0.000 3/69984 610.0 8.346 8.346 20.001 -0.000 -0.000 0.000 3/69984 620.0 8.209 8.209 19.656 -0.000 -0.000 0.000 3/69984 630.0 8.076 8.076 19.324 -0.000 -0.000 0.000 3/69984 640.0 7.948 7.948 19.003 -0.000 -0.000 0.000 3/69984 650.0 7.823 7.823 18.693 -0.000 -0.000 0.000 3/69984 660.0 7.703 7.703 18.393 -0.000 -0.000 0.000 3/69984 670.0 7.586 7.586 18.103 -0.000 -0.000 0.000 3/69984 680.0 7.473 7.473 17.822 -0.000 -0.000 0.000 3/69984 690.0 7.363 7.363 17.550 -0.000 -0.000 0.000 3/69984 700.0 7.256 7.256 17.286 -0.000 -0.000 0.000 3/69984 710.0 7.153 7.153 17.031 -0.000 -0.000 0.000 3/69984 720.0 7.052 7.052 16.782 -0.000 -0.000 0.000 3/69984 730.0 6.954 6.954 16.542 -0.000 -0.000 0.000 3/69984 740.0 6.859 6.859 16.308 -0.000 -0.000 0.000 3/69984 750.0 6.767 6.767 16.081 -0.000 -0.000 0.000 3/69984 760.0 6.677 6.677 15.860 -0.000 -0.000 0.000 3/69984 770.0 6.589 6.589 15.645 -0.000 -0.000 0.000 3/69984 780.0 6.504 6.504 15.436 -0.000 -0.000 0.000 3/69984 790.0 6.421 6.421 15.233 -0.000 -0.000 0.000 3/69984 800.0 6.340 6.340 15.035 -0.000 -0.000 0.000 3/69984 810.0 6.261 6.261 14.842 -0.000 -0.000 0.000 3/69984 820.0 6.184 6.184 14.655 -0.000 -0.000 0.000 3/69984 830.0 6.108 6.108 14.472 -0.000 -0.000 0.000 3/69984 840.0 6.035 6.035 14.293 -0.000 -0.000 0.000 3/69984 850.0 5.963 5.963 14.120 -0.000 -0.000 0.000 3/69984 860.0 5.894 5.894 13.950 -0.000 -0.000 0.000 3/69984 870.0 5.825 5.825 13.784 -0.000 -0.000 0.000 3/69984 880.0 5.759 5.759 13.623 -0.000 -0.000 0.000 3/69984 890.0 5.693 5.693 13.465 -0.000 -0.000 0.000 3/69984 900.0 5.630 5.630 13.311 -0.000 -0.000 0.000 3/69984 910.0 5.567 5.567 13.160 -0.000 -0.000 0.000 3/69984 920.0 5.506 5.506 13.013 -0.000 -0.000 0.000 3/69984 930.0 5.447 5.447 12.869 -0.000 -0.000 0.000 3/69984 940.0 5.389 5.389 12.729 -0.000 -0.000 0.000 3/69984 950.0 5.331 5.331 12.591 -0.000 -0.000 0.000 3/69984 960.0 5.276 5.276 12.456 -0.000 -0.000 0.000 3/69984 970.0 5.221 5.221 12.325 -0.000 -0.000 0.000 3/69984 980.0 5.167 5.167 12.196 -0.000 -0.000 0.000 3/69984 990.0 5.115 5.115 12.070 -0.000 -0.000 0.000 3/69984 1000.0 5.063 5.063 11.946 -0.000 -0.000 0.000 3/69984Thermal conductivity related properties were written into "kappa-m181818.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-09 04:35:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|