# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/6e9bdbd3-f6a5-4112-95bd-1faa477cb138/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 KErS2 / R-3m (166) / materials id 4326](https://mdr.nims.go.jp/datasets/5dfbce4e-d437-445f-978a-a0f869d1707d) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-07 20:07:04]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)Number of symmetry operations in supercell: 324------------------------------ primitive cell ------------------------------Lattice vectors: a 1.980612084092477 1.143506919911015 7.282442626666660 b -1.980612084092473 1.143506919911015 7.282442626666660 c 0.000000000000002 -2.287013839822033 7.282442626666660Atomic positions (fractional): *1 S 0.73337231298614 0.73337231298614 0.73337231298614 32.065 2 S 0.26662768701386 0.26662768701387 0.26662768701386 32.065 *3 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 *4 Er 0.00000000000000 0.00000000000000 0.00000000000000 167.259-------------------------------- unit cell ---------------------------------Lattice vectors: a 3.961224168184949 0.000000000000000 0.000000000000000 b -1.980612084092475 3.430520759733048 0.000000000000000 c 0.000000000000000 0.000000000000000 21.847327880000002Atomic positions (fractional): *1 S 0.00000000000000 0.00000000000000 0.73337231298614 32.065 > 1 2 S 0.33333333333333 0.66666666666667 0.93329435368053 32.065 > 2 3 S 0.66666666666667 0.33333333333333 0.06670564631947 32.065 > 1 4 S 0.00000000000000 0.00000000000000 0.26662768701386 32.065 > 2 5 S 0.33333333333333 0.66666666666667 0.40003897965280 32.065 > 1 6 S 0.66666666666667 0.33333333333333 0.59996102034720 32.065 > 2 *7 K 0.66666666666667 0.33333333333333 0.83333333333333 39.098 > 3 8 K 0.33333333333333 0.66666666666667 0.16666666666667 39.098 > 3 9 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 3 *10 Er 0.00000000000000 0.00000000000000 0.00000000000000 167.259 > 4 11 Er 0.66666666666667 0.33333333333333 0.33333333333333 167.259 > 4 12 Er 0.33333333333333 0.66666666666667 0.66666666666667 167.259 > 4-------------------------------- super cell --------------------------------Lattice vectors: a 11.883672504554848 0.000000000000000 0.000000000000000 b -5.941836252277425 10.291562279199145 0.000000000000000 c 0.000000000000000 0.000000000000000 21.847327880000002Atomic positions (fractional): *1 S 0.00000000000000 0.00000000000000 0.73337231298614 32.065 > 1 2 S 0.33333333333333 0.00000000000000 0.73337231298614 32.065 > 1 3 S 0.66666666666667 0.00000000000000 0.73337231298614 32.065 > 1 4 S 0.00000000000000 0.33333333333333 0.73337231298614 32.065 > 1 5 S 0.33333333333333 0.33333333333333 0.73337231298614 32.065 > 1 6 S 0.66666666666667 0.33333333333333 0.73337231298614 32.065 > 1 7 S 0.00000000000000 0.66666666666667 0.73337231298614 32.065 > 1 8 S 0.33333333333333 0.66666666666667 0.73337231298614 32.065 > 1 9 S 0.66666666666667 0.66666666666667 0.73337231298614 32.065 > 1 10 S 0.11111111111111 0.22222222222222 0.93329435368053 32.065 > 2 11 S 0.44444444444444 0.22222222222222 0.93329435368053 32.065 > 2 12 S 0.77777777777778 0.22222222222222 0.93329435368053 32.065 > 2 13 S 0.11111111111111 0.55555555555556 0.93329435368053 32.065 > 2 14 S 0.44444444444444 0.55555555555556 0.93329435368053 32.065 > 2 15 S 0.77777777777778 0.55555555555556 0.93329435368053 32.065 > 2 16 S 0.11111111111111 0.88888888888889 0.93329435368053 32.065 > 2 17 S 0.44444444444444 0.88888888888889 0.93329435368053 32.065 > 2 18 S 0.77777777777778 0.88888888888889 0.93329435368053 32.065 > 2 19 S 0.22222222222222 0.11111111111111 0.06670564631947 32.065 > 1 20 S 0.55555555555556 0.11111111111111 0.06670564631947 32.065 > 1 21 S 0.88888888888889 0.11111111111111 0.06670564631947 32.065 > 1 22 S 0.22222222222222 0.44444444444444 0.06670564631947 32.065 > 1 23 S 0.55555555555556 0.44444444444444 0.06670564631947 32.065 > 1 24 S 0.88888888888889 0.44444444444444 0.06670564631947 32.065 > 1 25 S 0.22222222222222 0.77777777777778 0.06670564631947 32.065 > 1 26 S 0.55555555555556 0.77777777777778 0.06670564631947 32.065 > 1 27 S 0.88888888888889 0.77777777777778 0.06670564631947 32.065 > 1 28 S 0.00000000000000 0.00000000000000 0.26662768701386 32.065 > 2 29 S 0.33333333333333 0.00000000000000 0.26662768701386 32.065 > 2 30 S 0.66666666666667 0.00000000000000 0.26662768701386 32.065 > 2 31 S 0.00000000000000 0.33333333333333 0.26662768701386 32.065 > 2 32 S 0.33333333333333 0.33333333333333 0.26662768701386 32.065 > 2 33 S 0.66666666666667 0.33333333333333 0.26662768701386 32.065 > 2 34 S 0.00000000000000 0.66666666666667 0.26662768701386 32.065 > 2 35 S 0.33333333333333 0.66666666666667 0.26662768701386 32.065 > 2 36 S 0.66666666666667 0.66666666666667 0.26662768701386 32.065 > 2 37 S 0.11111111111111 0.22222222222222 0.40003897965280 32.065 > 1 38 S 0.44444444444444 0.22222222222222 0.40003897965280 32.065 > 1 39 S 0.77777777777778 0.22222222222222 0.40003897965280 32.065 > 1 40 S 0.11111111111111 0.55555555555556 0.40003897965280 32.065 > 1 41 S 0.44444444444444 0.55555555555556 0.40003897965280 32.065 > 1 42 S 0.77777777777778 0.55555555555556 0.40003897965280 32.065 > 1 43 S 0.11111111111111 0.88888888888889 0.40003897965280 32.065 > 1 44 S 0.44444444444444 0.88888888888889 0.40003897965280 32.065 > 1 45 S 0.77777777777778 0.88888888888889 0.40003897965280 32.065 > 1 46 S 0.22222222222222 0.11111111111111 0.59996102034720 32.065 > 2 47 S 0.55555555555556 0.11111111111111 0.59996102034720 32.065 > 2 48 S 0.88888888888889 0.11111111111111 0.59996102034720 32.065 > 2 49 S 0.22222222222222 0.44444444444444 0.59996102034720 32.065 > 2 50 S 0.55555555555556 0.44444444444444 0.59996102034720 32.065 > 2 51 S 0.88888888888889 0.44444444444444 0.59996102034720 32.065 > 2 52 S 0.22222222222222 0.77777777777778 0.59996102034720 32.065 > 2 53 S 0.55555555555556 0.77777777777778 0.59996102034720 32.065 > 2 54 S 0.88888888888889 0.77777777777778 0.59996102034720 32.065 > 2 *55 K 0.22222222222222 0.11111111111111 0.83333333333333 39.098 > 3 56 K 0.55555555555556 0.11111111111111 0.83333333333333 39.098 > 3 57 K 0.88888888888889 0.11111111111111 0.83333333333333 39.098 > 3 58 K 0.22222222222222 0.44444444444444 0.83333333333333 39.098 > 3 59 K 0.55555555555556 0.44444444444444 0.83333333333333 39.098 > 3 60 K 0.88888888888889 0.44444444444444 0.83333333333333 39.098 > 3 61 K 0.22222222222222 0.77777777777778 0.83333333333333 39.098 > 3 62 K 0.55555555555556 0.77777777777778 0.83333333333333 39.098 > 3 63 K 0.88888888888889 0.77777777777778 0.83333333333333 39.098 > 3 64 K 0.11111111111111 0.22222222222222 0.16666666666667 39.098 > 3 65 K 0.44444444444444 0.22222222222222 0.16666666666667 39.098 > 3 66 K 0.77777777777778 0.22222222222222 0.16666666666667 39.098 > 3 67 K 0.11111111111111 0.55555555555556 0.16666666666667 39.098 > 3 68 K 0.44444444444444 0.55555555555556 0.16666666666667 39.098 > 3 69 K 0.77777777777778 0.55555555555556 0.16666666666667 39.098 > 3 70 K 0.11111111111111 0.88888888888889 0.16666666666667 39.098 > 3 71 K 0.44444444444444 0.88888888888889 0.16666666666667 39.098 > 3 72 K 0.77777777777778 0.88888888888889 0.16666666666667 39.098 > 3 73 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 3 74 K 0.33333333333333 0.00000000000000 0.50000000000000 39.098 > 3 75 K 0.66666666666667 0.00000000000000 0.50000000000000 39.098 > 3 76 K 0.00000000000000 0.33333333333333 0.50000000000000 39.098 > 3 77 K 0.33333333333333 0.33333333333333 0.50000000000000 39.098 > 3 78 K 0.66666666666667 0.33333333333333 0.50000000000000 39.098 > 3 79 K 0.00000000000000 0.66666666666667 0.50000000000000 39.098 > 3 80 K 0.33333333333333 0.66666666666667 0.50000000000000 39.098 > 3 81 K 0.66666666666667 0.66666666666667 0.50000000000000 39.098 > 3 *82 Er 0.00000000000000 0.00000000000000 0.00000000000000 167.259 > 4 83 Er 0.33333333333333 0.00000000000000 0.00000000000000 167.259 > 4 84 Er 0.66666666666667 0.00000000000000 0.00000000000000 167.259 > 4 85 Er 0.00000000000000 0.33333333333333 0.00000000000000 167.259 > 4 86 Er 0.33333333333333 0.33333333333333 0.00000000000000 167.259 > 4 87 Er 0.66666666666667 0.33333333333333 0.00000000000000 167.259 > 4 88 Er 0.00000000000000 0.66666666666667 0.00000000000000 167.259 > 4 89 Er 0.33333333333333 0.66666666666667 0.00000000000000 167.259 > 4 90 Er 0.66666666666667 0.66666666666667 0.00000000000000 167.259 > 4 91 Er 0.22222222222222 0.11111111111111 0.33333333333333 167.259 > 4 92 Er 0.55555555555556 0.11111111111111 0.33333333333333 167.259 > 4 93 Er 0.88888888888889 0.11111111111111 0.33333333333333 167.259 > 4 94 Er 0.22222222222222 0.44444444444444 0.33333333333333 167.259 > 4 95 Er 0.55555555555556 0.44444444444444 0.33333333333333 167.259 > 4 96 Er 0.88888888888889 0.44444444444444 0.33333333333333 167.259 > 4 97 Er 0.22222222222222 0.77777777777778 0.33333333333333 167.259 > 4 98 Er 0.55555555555556 0.77777777777778 0.33333333333333 167.259 > 4 99 Er 0.88888888888889 0.77777777777778 0.33333333333333 167.259 > 4 100 Er 0.11111111111111 0.22222222222222 0.66666666666667 167.259 > 4 101 Er 0.44444444444444 0.22222222222222 0.66666666666667 167.259 > 4 102 Er 0.77777777777778 0.22222222222222 0.66666666666667 167.259 > 4 103 Er 0.11111111111111 0.55555555555556 0.66666666666667 167.259 > 4 104 Er 0.44444444444444 0.55555555555556 0.66666666666667 167.259 > 4 105 Er 0.77777777777778 0.55555555555556 0.66666666666667 167.259 > 4 106 Er 0.11111111111111 0.88888888888889 0.66666666666667 167.259 > 4 107 Er 0.44444444444444 0.88888888888889 0.66666666666667 167.259 > 4 108 Er 0.77777777777778 0.88888888888889 0.66666666666667 167.259 > 4----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 5.6322422 0.0000000 0.0000000 -0.0000000 5.6322422 0.0000000 0.0000000 0.0000000 4.1549190-------------------------- Born effective charges -------------------------- 1 S -2.7082437 -0.0000000 0.0000000 -0.0000000 -2.7082437 0.0000000 0.0000000 0.0000000 -1.7914947 2 S -2.7082437 -0.0000000 0.0000000 -0.0000000 -2.7082437 0.0000000 0.0000000 0.0000000 -1.7914947 3 K 1.0326047 0.0000000 0.0000000 -0.0000000 1.0326047 0.0000000 0.0000000 0.0000000 1.7785900 4 Er 4.3838827 0.0000000 0.0000000 0.0000000 4.3838827 0.0000000 0.0000000 0.0000000 1.8043995----------------------------------------------------------------------------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): 0.005Solver_block: 80 / 80 - Time: 0.125Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.132--------------------------------- 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 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-07 20:07:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 20:07:08]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [3 3 1]Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)------------------------------ primitive cell ------------------------------Lattice vectors: a 1.980612084092477 1.143506919911015 7.282442626666660 b -1.980612084092473 1.143506919911015 7.282442626666660 c 0.000000000000002 -2.287013839822033 7.282442626666660Atomic positions (fractional): 1 S 0.73337231298614 0.73337231298614 0.73337231298614 32.065 2 S 0.26662768701386 0.26662768701387 0.26662768701386 32.065 3 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 4 Er 0.00000000000000 0.00000000000000 0.00000000000000 167.259-------------------------------- supercell ---------------------------------Lattice vectors: a 11.883672504554848 0.000000000000000 0.000000000000000 b -5.941836252277425 10.291562279199145 0.000000000000000 c 0.000000000000000 0.000000000000000 21.847327880000002Atomic positions (fractional): 1 S 0.00000000000000 0.00000000000000 0.73337231298614 32.065 > 1 2 S 0.33333333333333 0.00000000000000 0.73337231298614 32.065 > 1 3 S 0.66666666666667 0.00000000000000 0.73337231298614 32.065 > 1 4 S 0.00000000000000 0.33333333333333 0.73337231298614 32.065 > 1 5 S 0.33333333333333 0.33333333333333 0.73337231298614 32.065 > 1 6 S 0.66666666666667 0.33333333333333 0.73337231298614 32.065 > 1 7 S 0.00000000000000 0.66666666666667 0.73337231298614 32.065 > 1 8 S 0.33333333333333 0.66666666666667 0.73337231298614 32.065 > 1 9 S 0.66666666666667 0.66666666666667 0.73337231298614 32.065 > 1 10 S 0.11111111111111 0.22222222222222 0.93329435368053 32.065 > 10 11 S 0.44444444444444 0.22222222222222 0.93329435368053 32.065 > 10 12 S 0.77777777777778 0.22222222222222 0.93329435368053 32.065 > 10 13 S 0.11111111111111 0.55555555555556 0.93329435368053 32.065 > 10 14 S 0.44444444444444 0.55555555555556 0.93329435368053 32.065 > 10 15 S 0.77777777777778 0.55555555555556 0.93329435368053 32.065 > 10 16 S 0.11111111111111 0.88888888888889 0.93329435368053 32.065 > 10 17 S 0.44444444444444 0.88888888888889 0.93329435368053 32.065 > 10 18 S 0.77777777777778 0.88888888888889 0.93329435368053 32.065 > 10 19 S 0.22222222222222 0.11111111111111 0.06670564631947 32.065 > 1 20 S 0.55555555555556 0.11111111111111 0.06670564631947 32.065 > 1 21 S 0.88888888888889 0.11111111111111 0.06670564631947 32.065 > 1 22 S 0.22222222222222 0.44444444444444 0.06670564631947 32.065 > 1 23 S 0.55555555555556 0.44444444444444 0.06670564631947 32.065 > 1 24 S 0.88888888888889 0.44444444444444 0.06670564631947 32.065 > 1 25 S 0.22222222222222 0.77777777777778 0.06670564631947 32.065 > 1 26 S 0.55555555555556 0.77777777777778 0.06670564631947 32.065 > 1 27 S 0.88888888888889 0.77777777777778 0.06670564631947 32.065 > 1 28 S 0.00000000000000 0.00000000000000 0.26662768701386 32.065 > 10 29 S 0.33333333333333 0.00000000000000 0.26662768701386 32.065 > 10 30 S 0.66666666666667 0.00000000000000 0.26662768701386 32.065 > 10 31 S 0.00000000000000 0.33333333333333 0.26662768701386 32.065 > 10 32 S 0.33333333333333 0.33333333333333 0.26662768701386 32.065 > 10 33 S 0.66666666666667 0.33333333333333 0.26662768701386 32.065 > 10 34 S 0.00000000000000 0.66666666666667 0.26662768701386 32.065 > 10 35 S 0.33333333333333 0.66666666666667 0.26662768701386 32.065 > 10 36 S 0.66666666666667 0.66666666666667 0.26662768701386 32.065 > 10 37 S 0.11111111111111 0.22222222222222 0.40003897965280 32.065 > 1 38 S 0.44444444444444 0.22222222222222 0.40003897965280 32.065 > 1 39 S 0.77777777777778 0.22222222222222 0.40003897965280 32.065 > 1 40 S 0.11111111111111 0.55555555555556 0.40003897965280 32.065 > 1 41 S 0.44444444444444 0.55555555555556 0.40003897965280 32.065 > 1 42 S 0.77777777777778 0.55555555555556 0.40003897965280 32.065 > 1 43 S 0.11111111111111 0.88888888888889 0.40003897965280 32.065 > 1 44 S 0.44444444444444 0.88888888888889 0.40003897965280 32.065 > 1 45 S 0.77777777777778 0.88888888888889 0.40003897965280 32.065 > 1 46 S 0.22222222222222 0.11111111111111 0.59996102034720 32.065 > 10 47 S 0.55555555555556 0.11111111111111 0.59996102034720 32.065 > 10 48 S 0.88888888888889 0.11111111111111 0.59996102034720 32.065 > 10 49 S 0.22222222222222 0.44444444444444 0.59996102034720 32.065 > 10 50 S 0.55555555555556 0.44444444444444 0.59996102034720 32.065 > 10 51 S 0.88888888888889 0.44444444444444 0.59996102034720 32.065 > 10 52 S 0.22222222222222 0.77777777777778 0.59996102034720 32.065 > 10 53 S 0.55555555555556 0.77777777777778 0.59996102034720 32.065 > 10 54 S 0.88888888888889 0.77777777777778 0.59996102034720 32.065 > 10 55 K 0.22222222222222 0.11111111111111 0.83333333333333 39.098 > 55 56 K 0.55555555555556 0.11111111111111 0.83333333333333 39.098 > 55 57 K 0.88888888888889 0.11111111111111 0.83333333333333 39.098 > 55 58 K 0.22222222222222 0.44444444444444 0.83333333333333 39.098 > 55 59 K 0.55555555555556 0.44444444444444 0.83333333333333 39.098 > 55 60 K 0.88888888888889 0.44444444444444 0.83333333333333 39.098 > 55 61 K 0.22222222222222 0.77777777777778 0.83333333333333 39.098 > 55 62 K 0.55555555555556 0.77777777777778 0.83333333333333 39.098 > 55 63 K 0.88888888888889 0.77777777777778 0.83333333333333 39.098 > 55 64 K 0.11111111111111 0.22222222222222 0.16666666666667 39.098 > 55 65 K 0.44444444444444 0.22222222222222 0.16666666666667 39.098 > 55 66 K 0.77777777777778 0.22222222222222 0.16666666666667 39.098 > 55 67 K 0.11111111111111 0.55555555555556 0.16666666666667 39.098 > 55 68 K 0.44444444444444 0.55555555555556 0.16666666666667 39.098 > 55 69 K 0.77777777777778 0.55555555555556 0.16666666666667 39.098 > 55 70 K 0.11111111111111 0.88888888888889 0.16666666666667 39.098 > 55 71 K 0.44444444444444 0.88888888888889 0.16666666666667 39.098 > 55 72 K 0.77777777777778 0.88888888888889 0.16666666666667 39.098 > 55 73 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 55 74 K 0.33333333333333 0.00000000000000 0.50000000000000 39.098 > 55 75 K 0.66666666666667 0.00000000000000 0.50000000000000 39.098 > 55 76 K 0.00000000000000 0.33333333333333 0.50000000000000 39.098 > 55 77 K 0.33333333333333 0.33333333333333 0.50000000000000 39.098 > 55 78 K 0.66666666666667 0.33333333333333 0.50000000000000 39.098 > 55 79 K 0.00000000000000 0.66666666666667 0.50000000000000 39.098 > 55 80 K 0.33333333333333 0.66666666666667 0.50000000000000 39.098 > 55 81 K 0.66666666666667 0.66666666666667 0.50000000000000 39.098 > 55 82 Er 0.00000000000000 0.00000000000000 0.00000000000000 167.259 > 82 83 Er 0.33333333333333 0.00000000000000 0.00000000000000 167.259 > 82 84 Er 0.66666666666667 0.00000000000000 0.00000000000000 167.259 > 82 85 Er 0.00000000000000 0.33333333333333 0.00000000000000 167.259 > 82 86 Er 0.33333333333333 0.33333333333333 0.00000000000000 167.259 > 82 87 Er 0.66666666666667 0.33333333333333 0.00000000000000 167.259 > 82 88 Er 0.00000000000000 0.66666666666667 0.00000000000000 167.259 > 82 89 Er 0.33333333333333 0.66666666666667 0.00000000000000 167.259 > 82 90 Er 0.66666666666667 0.66666666666667 0.00000000000000 167.259 > 82 91 Er 0.22222222222222 0.11111111111111 0.33333333333333 167.259 > 82 92 Er 0.55555555555556 0.11111111111111 0.33333333333333 167.259 > 82 93 Er 0.88888888888889 0.11111111111111 0.33333333333333 167.259 > 82 94 Er 0.22222222222222 0.44444444444444 0.33333333333333 167.259 > 82 95 Er 0.55555555555556 0.44444444444444 0.33333333333333 167.259 > 82 96 Er 0.88888888888889 0.44444444444444 0.33333333333333 167.259 > 82 97 Er 0.22222222222222 0.77777777777778 0.33333333333333 167.259 > 82 98 Er 0.55555555555556 0.77777777777778 0.33333333333333 167.259 > 82 99 Er 0.88888888888889 0.77777777777778 0.33333333333333 167.259 > 82 100 Er 0.11111111111111 0.22222222222222 0.66666666666667 167.259 > 82 101 Er 0.44444444444444 0.22222222222222 0.66666666666667 167.259 > 82 102 Er 0.77777777777778 0.22222222222222 0.66666666666667 167.259 > 82 103 Er 0.11111111111111 0.55555555555556 0.66666666666667 167.259 > 82 104 Er 0.44444444444444 0.55555555555556 0.66666666666667 167.259 > 82 105 Er 0.77777777777778 0.55555555555556 0.66666666666667 167.259 > 82 106 Er 0.11111111111111 0.88888888888889 0.66666666666667 167.259 > 82 107 Er 0.44444444444444 0.88888888888889 0.66666666666667 167.259 > 82 108 Er 0.77777777777778 0.88888888888889 0.66666666666667 167.259 > 82----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 5.6322422 0.0000000 0.0000000 -0.0000000 5.6322422 0.0000000 0.0000000 0.0000000 4.1549190-------------------------- Born effective charges -------------------------- 1 S -2.7082437 -0.0000000 0.0000000 -0.0000000 -2.7082437 0.0000000 0.0000000 0.0000000 -1.7914947 2 S -2.7082437 -0.0000000 0.0000000 -0.0000000 -2.7082437 0.0000000 0.0000000 0.0000000 -1.7914947 3 K 1.0326047 0.0000000 0.0000000 -0.0000000 1.0326047 0.0000000 0.0000000 0.0000000 1.7785900 4 Er 4.3838827 0.0000000 0.0000000 0.0000000 4.3838827 0.0000000 0.0000000 0.0000000 1.8043995----------------------------------------------------------------------------Sets of supercell forces were read from "FORCES_FC3.xz".Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".----------------------------- Force constants ------------------------------Computing fc3[ 1, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 55, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 82, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy)fc3 was written into "fc3.hdf5".Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 20:07:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 20:07:13]-------------------------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 1.980612084092477 1.143506919911015 7.282442626666660 b -1.980612084092473 1.143506919911015 7.282442626666660 c 0.000000000000002 -2.287013839822033 7.282442626666660Atomic positions (fractional): 1 S 0.73337231298614 0.73337231298614 0.73337231298614 32.065 2 S 0.26662768701386 0.26662768701387 0.26662768701386 32.065 3 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 4 Er 0.00000000000000 0.00000000000000 0.00000000000000 167.259-------------------------------- supercell ---------------------------------Lattice vectors: a 11.883672504554848 0.000000000000000 0.000000000000000 b -5.941836252277425 10.291562279199145 0.000000000000000 c 0.000000000000000 0.000000000000000 21.847327880000002Atomic positions (fractional): 1 S 0.00000000000000 0.00000000000000 0.73337231298614 32.065 > 1 2 S 0.33333333333333 0.00000000000000 0.73337231298614 32.065 > 1 3 S 0.66666666666667 0.00000000000000 0.73337231298614 32.065 > 1 4 S 0.00000000000000 0.33333333333333 0.73337231298614 32.065 > 1 5 S 0.33333333333333 0.33333333333333 0.73337231298614 32.065 > 1 6 S 0.66666666666667 0.33333333333333 0.73337231298614 32.065 > 1 7 S 0.00000000000000 0.66666666666667 0.73337231298614 32.065 > 1 8 S 0.33333333333333 0.66666666666667 0.73337231298614 32.065 > 1 9 S 0.66666666666667 0.66666666666667 0.73337231298614 32.065 > 1 10 S 0.11111111111111 0.22222222222222 0.93329435368053 32.065 > 10 11 S 0.44444444444444 0.22222222222222 0.93329435368053 32.065 > 10 12 S 0.77777777777778 0.22222222222222 0.93329435368053 32.065 > 10 13 S 0.11111111111111 0.55555555555556 0.93329435368053 32.065 > 10 14 S 0.44444444444444 0.55555555555556 0.93329435368053 32.065 > 10 15 S 0.77777777777778 0.55555555555556 0.93329435368053 32.065 > 10 16 S 0.11111111111111 0.88888888888889 0.93329435368053 32.065 > 10 17 S 0.44444444444444 0.88888888888889 0.93329435368053 32.065 > 10 18 S 0.77777777777778 0.88888888888889 0.93329435368053 32.065 > 10 19 S 0.22222222222222 0.11111111111111 0.06670564631947 32.065 > 1 20 S 0.55555555555556 0.11111111111111 0.06670564631947 32.065 > 1 21 S 0.88888888888889 0.11111111111111 0.06670564631947 32.065 > 1 22 S 0.22222222222222 0.44444444444444 0.06670564631947 32.065 > 1 23 S 0.55555555555556 0.44444444444444 0.06670564631947 32.065 > 1 24 S 0.88888888888889 0.44444444444444 0.06670564631947 32.065 > 1 25 S 0.22222222222222 0.77777777777778 0.06670564631947 32.065 > 1 26 S 0.55555555555556 0.77777777777778 0.06670564631947 32.065 > 1 27 S 0.88888888888889 0.77777777777778 0.06670564631947 32.065 > 1 28 S 0.00000000000000 0.00000000000000 0.26662768701386 32.065 > 10 29 S 0.33333333333333 0.00000000000000 0.26662768701386 32.065 > 10 30 S 0.66666666666667 0.00000000000000 0.26662768701386 32.065 > 10 31 S 0.00000000000000 0.33333333333333 0.26662768701386 32.065 > 10 32 S 0.33333333333333 0.33333333333333 0.26662768701386 32.065 > 10 33 S 0.66666666666667 0.33333333333333 0.26662768701386 32.065 > 10 34 S 0.00000000000000 0.66666666666667 0.26662768701386 32.065 > 10 35 S 0.33333333333333 0.66666666666667 0.26662768701386 32.065 > 10 36 S 0.66666666666667 0.66666666666667 0.26662768701386 32.065 > 10 37 S 0.11111111111111 0.22222222222222 0.40003897965280 32.065 > 1 38 S 0.44444444444444 0.22222222222222 0.40003897965280 32.065 > 1 39 S 0.77777777777778 0.22222222222222 0.40003897965280 32.065 > 1 40 S 0.11111111111111 0.55555555555556 0.40003897965280 32.065 > 1 41 S 0.44444444444444 0.55555555555556 0.40003897965280 32.065 > 1 42 S 0.77777777777778 0.55555555555556 0.40003897965280 32.065 > 1 43 S 0.11111111111111 0.88888888888889 0.40003897965280 32.065 > 1 44 S 0.44444444444444 0.88888888888889 0.40003897965280 32.065 > 1 45 S 0.77777777777778 0.88888888888889 0.40003897965280 32.065 > 1 46 S 0.22222222222222 0.11111111111111 0.59996102034720 32.065 > 10 47 S 0.55555555555556 0.11111111111111 0.59996102034720 32.065 > 10 48 S 0.88888888888889 0.11111111111111 0.59996102034720 32.065 > 10 49 S 0.22222222222222 0.44444444444444 0.59996102034720 32.065 > 10 50 S 0.55555555555556 0.44444444444444 0.59996102034720 32.065 > 10 51 S 0.88888888888889 0.44444444444444 0.59996102034720 32.065 > 10 52 S 0.22222222222222 0.77777777777778 0.59996102034720 32.065 > 10 53 S 0.55555555555556 0.77777777777778 0.59996102034720 32.065 > 10 54 S 0.88888888888889 0.77777777777778 0.59996102034720 32.065 > 10 55 K 0.22222222222222 0.11111111111111 0.83333333333333 39.098 > 55 56 K 0.55555555555556 0.11111111111111 0.83333333333333 39.098 > 55 57 K 0.88888888888889 0.11111111111111 0.83333333333333 39.098 > 55 58 K 0.22222222222222 0.44444444444444 0.83333333333333 39.098 > 55 59 K 0.55555555555556 0.44444444444444 0.83333333333333 39.098 > 55 60 K 0.88888888888889 0.44444444444444 0.83333333333333 39.098 > 55 61 K 0.22222222222222 0.77777777777778 0.83333333333333 39.098 > 55 62 K 0.55555555555556 0.77777777777778 0.83333333333333 39.098 > 55 63 K 0.88888888888889 0.77777777777778 0.83333333333333 39.098 > 55 64 K 0.11111111111111 0.22222222222222 0.16666666666667 39.098 > 55 65 K 0.44444444444444 0.22222222222222 0.16666666666667 39.098 > 55 66 K 0.77777777777778 0.22222222222222 0.16666666666667 39.098 > 55 67 K 0.11111111111111 0.55555555555556 0.16666666666667 39.098 > 55 68 K 0.44444444444444 0.55555555555556 0.16666666666667 39.098 > 55 69 K 0.77777777777778 0.55555555555556 0.16666666666667 39.098 > 55 70 K 0.11111111111111 0.88888888888889 0.16666666666667 39.098 > 55 71 K 0.44444444444444 0.88888888888889 0.16666666666667 39.098 > 55 72 K 0.77777777777778 0.88888888888889 0.16666666666667 39.098 > 55 73 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 55 74 K 0.33333333333333 0.00000000000000 0.50000000000000 39.098 > 55 75 K 0.66666666666667 0.00000000000000 0.50000000000000 39.098 > 55 76 K 0.00000000000000 0.33333333333333 0.50000000000000 39.098 > 55 77 K 0.33333333333333 0.33333333333333 0.50000000000000 39.098 > 55 78 K 0.66666666666667 0.33333333333333 0.50000000000000 39.098 > 55 79 K 0.00000000000000 0.66666666666667 0.50000000000000 39.098 > 55 80 K 0.33333333333333 0.66666666666667 0.50000000000000 39.098 > 55 81 K 0.66666666666667 0.66666666666667 0.50000000000000 39.098 > 55 82 Er 0.00000000000000 0.00000000000000 0.00000000000000 167.259 > 82 83 Er 0.33333333333333 0.00000000000000 0.00000000000000 167.259 > 82 84 Er 0.66666666666667 0.00000000000000 0.00000000000000 167.259 > 82 85 Er 0.00000000000000 0.33333333333333 0.00000000000000 167.259 > 82 86 Er 0.33333333333333 0.33333333333333 0.00000000000000 167.259 > 82 87 Er 0.66666666666667 0.33333333333333 0.00000000000000 167.259 > 82 88 Er 0.00000000000000 0.66666666666667 0.00000000000000 167.259 > 82 89 Er 0.33333333333333 0.66666666666667 0.00000000000000 167.259 > 82 90 Er 0.66666666666667 0.66666666666667 0.00000000000000 167.259 > 82 91 Er 0.22222222222222 0.11111111111111 0.33333333333333 167.259 > 82 92 Er 0.55555555555556 0.11111111111111 0.33333333333333 167.259 > 82 93 Er 0.88888888888889 0.11111111111111 0.33333333333333 167.259 > 82 94 Er 0.22222222222222 0.44444444444444 0.33333333333333 167.259 > 82 95 Er 0.55555555555556 0.44444444444444 0.33333333333333 167.259 > 82 96 Er 0.88888888888889 0.44444444444444 0.33333333333333 167.259 > 82 97 Er 0.22222222222222 0.77777777777778 0.33333333333333 167.259 > 82 98 Er 0.55555555555556 0.77777777777778 0.33333333333333 167.259 > 82 99 Er 0.88888888888889 0.77777777777778 0.33333333333333 167.259 > 82 100 Er 0.11111111111111 0.22222222222222 0.66666666666667 167.259 > 82 101 Er 0.44444444444444 0.22222222222222 0.66666666666667 167.259 > 82 102 Er 0.77777777777778 0.22222222222222 0.66666666666667 167.259 > 82 103 Er 0.11111111111111 0.55555555555556 0.66666666666667 167.259 > 82 104 Er 0.44444444444444 0.55555555555556 0.66666666666667 167.259 > 82 105 Er 0.77777777777778 0.55555555555556 0.66666666666667 167.259 > 82 106 Er 0.11111111111111 0.88888888888889 0.66666666666667 167.259 > 82 107 Er 0.44444444444444 0.88888888888889 0.66666666666667 167.259 > 82 108 Er 0.77777777777778 0.88888888888889 0.66666666666667 167.259 > 82----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 5.6322422 0.0000000 0.0000000 -0.0000000 5.6322422 0.0000000 0.0000000 0.0000000 4.1549190-------------------------- Born effective charges -------------------------- 1 S -2.7082437 -0.0000000 0.0000000 -0.0000000 -2.7082437 0.0000000 0.0000000 0.0000000 -1.7914947 2 S -2.7082437 -0.0000000 0.0000000 -0.0000000 -2.7082437 0.0000000 0.0000000 0.0000000 -1.7914947 3 K 1.0326047 0.0000000 0.0000000 -0.0000000 1.0326047 0.0000000 0.0000000 0.0000000 1.7785900 4 Er 4.3838827 0.0000000 0.0000000 0.0000000 4.3838827 0.0000000 0.0000000 0.0000000 1.8043995----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy)Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 15 15 15 ]fc3-r2q-transformation over three atoms: True--------------------------- Phonon calculations ----------------------------Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.90, Number of G-points: 313, Lambda: 0.21Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/344) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.980 ( 0.000 0.000 0.000) 0.000 2.980 ( 0.000 0.000 0.000) 0.000 4.921 ( 0.000 0.000 0.000) 0.000 5.436 ( 0.000 0.000 0.000) 0.000 5.436 ( 0.000 0.000 0.000) 0.000 6.538 ( 0.000 0.000 0.000) 0.000 6.538 ( 0.000 0.000 0.000) 0.000 7.216 ( 0.000 0.000 0.000) 0.000 8.283 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/344) =======================q-point: ( 0.07 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.447 ( 20.505 11.838 -3.968) 24.007 0.473 ( 21.519 12.424 -2.984) 25.026 0.930 ( 38.982 22.506 12.035) 46.594 2.987 ( 0.536 0.310 0.308) 0.692 3.051 ( 5.322 3.072 -1.480) 6.321 4.886 ( -3.363 -1.941 0.690) 3.944 5.463 ( 2.269 1.310 1.050) 2.822 6.522 ( -1.204 -0.695 -0.520) 1.484 6.529 ( -1.051 -0.607 0.580) 1.345 7.198 ( 2.871 1.657 -15.697) 16.043 8.223 ( -5.256 -3.035 1.258) 6.199 8.770 ( -1.299 -0.750 0.170) 1.509======================= Grid point 2 (3/344) =======================q-point: ( 0.13 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.895 ( 20.448 11.806 -3.939) 23.938 0.945 ( 21.416 12.365 -4.494) 25.134 1.801 ( 35.285 20.372 7.948) 41.512 3.005 ( 0.962 0.555 0.609) 1.267 3.213 ( 9.305 5.372 -1.466) 10.844 4.782 ( -5.912 -3.413 0.558) 6.850 5.543 ( 4.347 2.509 1.954) 5.386 6.483 ( -3.371 -1.946 0.940) 4.004 6.486 ( -1.667 -0.962 -1.052) 2.193 7.235 ( 3.524 2.035 -6.454) 7.630 8.072 ( -8.314 -4.800 2.130) 9.833 8.712 ( -3.526 -2.036 -3.643) 5.463======================= Grid point 3 (4/344) =======================q-point: ( 0.20 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.334 ( 19.550 11.287 -3.927) 22.913 1.397 ( 20.039 11.570 -6.301) 23.982 2.527 ( 27.516 15.886 0.271) 31.774 3.032 ( 1.202 0.694 0.915) 1.662 3.459 ( 12.736 7.353 1.731) 14.807 4.635 ( -7.393 -4.268 2.863) 9.004 5.665 ( 5.821 3.361 2.628) 7.218 6.393 ( -4.465 -2.578 0.946) 5.242 6.450 ( -0.979 -0.565 -1.590) 1.951 7.306 ( 3.341 1.929 -1.238) 4.052 7.873 ( -9.842 -5.682 2.117) 11.560 8.593 ( -5.236 -3.023 -7.157) 9.369======================= Grid point 4 (5/344) =======================q-point: ( 0.27 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.738 ( 17.279 9.976 -3.871) 20.324 1.791 ( 16.630 9.602 -7.648) 20.670 3.019 ( 17.718 10.230 -6.839) 21.572 3.063 ( 1.205 0.696 1.219) 1.851 3.787 ( 14.711 8.493 5.056) 17.723 4.479 ( -7.633 -4.407 6.860) 11.169 5.810 ( 6.069 3.504 2.985) 7.617 6.313 ( -2.323 -1.341 0.868) 2.819 6.440 ( 0.732 0.423 -2.023) 2.192 7.350 ( -0.131 -0.075 1.545) 1.552 7.646 ( -10.839 -6.258 0.621) 12.532 8.460 ( -3.738 -2.158 -8.412) 9.455======================= Grid point 5 (6/344) =======================q-point: ( 0.33 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.075 ( 13.577 7.839 -3.563) 16.077 2.083 ( 11.301 6.525 -7.483) 15.043 3.091 ( 0.950 0.549 1.417) 1.792 3.332 ( 13.206 7.625 -7.195) 16.862 4.092 ( 10.290 5.941 2.483) 12.138 4.340 ( -6.986 -4.033 10.719) 13.416 5.944 ( 4.804 2.774 2.773) 6.202 6.310 ( 1.970 1.137 0.548) 2.340 6.472 ( 2.593 1.497 -2.025) 3.615 7.289 ( -6.662 -3.846 3.906) 8.627 7.401 ( -9.401 -5.428 -4.467) 11.738 8.398 ( 0.197 0.114 -5.602) 5.607======================= Grid point 6 (7/344) =======================q-point: ( 0.40 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.252 ( 5.690 3.285 -5.174) 8.363 2.318 ( 8.716 5.032 -2.685) 10.416 3.112 ( 0.524 0.303 1.264) 1.402 3.598 ( 12.521 7.229 -6.047) 15.671 4.199 ( -5.494 -3.172 12.632) 14.135 4.274 ( 2.475 1.429 -1.386) 3.176 6.037 ( 2.808 1.621 1.863) 3.739 6.398 ( 5.541 3.199 -0.330) 6.407 6.534 ( 3.003 1.734 -1.397) 3.739 7.062 ( -12.227 -7.059 2.307) 14.305 7.248 ( -3.989 -2.303 -4.548) 6.473 8.418 ( 1.987 1.147 -2.103) 3.113======================= Grid point 7 (8/344) =======================q-point: ( 0.47 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.320 ( 1.573 0.908 -1.755) 2.526 2.445 ( 3.022 1.745 -1.033) 3.639 3.123 ( 0.143 0.082 0.533) 0.558 3.851 ( 11.555 6.671 -7.817) 15.464 4.064 ( -9.267 -5.350 12.387) 16.369 4.309 ( 0.901 0.520 -2.514) 2.721 6.082 ( 0.904 0.522 0.632) 1.220 6.536 ( 5.960 3.441 -0.996) 6.954 6.583 ( 1.305 0.753 -0.475) 1.580 6.822 ( -8.409 -4.855 1.216) 9.785 7.176 ( -1.495 -0.863 -1.690) 2.416 8.452 ( 0.991 0.572 -0.407) 1.215======================= Grid point 16 (9/344) =======================q-point: ( 0.07 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.532 ( 0.000 22.809 13.706) 26.610 0.549 ( 0.000 24.958 10.420) 27.046 0.892 ( 0.000 43.645 5.553) 43.997 2.978 ( -0.000 0.310 -1.479) 1.512 3.056 ( 0.000 6.527 -0.336) 6.536 4.883 ( -0.000 -4.715 0.033) 4.715 5.448 ( -0.000 2.009 -2.099) 2.906 6.525 ( -0.000 -1.444 -0.159) 1.453 6.531 ( 0.000 -1.044 1.250) 1.628 7.122 ( -0.000 9.289 -29.650) 31.071 8.228 ( 0.000 -6.126 2.175) 6.500 8.787 ( 0.000 -1.480 3.243) 3.565======================= Grid point 17 (10/344) =======================q-point: ( 0.13 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.745 ( 4.846 20.464 10.174) 23.362 0.951 ( 8.634 25.972 0.086) 27.370 1.568 ( 24.408 33.629 8.163) 42.348 2.996 ( 1.710 0.950 -1.024) 2.208 3.158 ( 3.767 8.351 -1.106) 9.228 4.805 ( -2.557 -6.091 -1.169) 6.708 5.503 ( 3.762 2.845 -0.941) 4.810 6.492 ( -1.282 -2.507 -0.526) 2.865 6.511 ( -1.525 -1.476 1.433) 2.561 7.164 ( 3.959 4.638 -15.511) 16.666 8.127 ( -4.395 -7.844 2.932) 9.457 8.747 ( -3.399 -1.728 -0.237) 3.820======================= Grid point 18 (11/344) =======================q-point: ( 0.20 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.116 ( 14.054 16.498 3.603) 21.970 1.341 ( 9.914 22.617 -3.122) 24.891 2.291 ( 23.790 25.177 2.367) 34.720 3.040 ( 1.213 2.955 0.141) 3.197 3.346 ( 9.318 8.601 0.405) 12.687 4.681 ( -4.123 -7.100 0.292) 8.215 5.615 ( 5.412 4.099 0.668) 6.822 6.425 ( -2.801 -3.976 -0.252) 4.869 6.473 ( -2.002 -0.049 0.501) 2.065 7.243 ( 5.007 2.806 -7.087) 9.120 7.958 ( -7.138 -8.370 3.213) 11.460 8.638 ( -5.853 -2.941 -4.356) 7.867======================= Grid point 19 (12/344) =======================q-point: ( 0.27 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.529 ( 16.154 14.085 -0.671) 21.443 1.695 ( 10.214 17.413 -4.575) 20.700 2.832 ( 17.009 16.476 -5.896) 24.404 3.088 ( -0.150 4.579 0.544) 4.614 3.646 ( 14.102 9.660 4.887) 17.778 4.541 ( -4.592 -7.359 3.814) 9.475 5.762 ( 5.939 5.093 1.928) 8.057 6.338 ( -2.636 -3.073 0.043) 4.049 6.453 ( -1.226 1.853 -0.675) 2.322 7.323 ( 3.445 0.523 -2.422) 4.243 7.750 ( -9.052 -8.375 2.826) 12.652 8.484 ( -5.727 -3.345 -7.353) 9.902======================= Grid point 20 (13/344) =======================q-point: ( 0.33 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.905 ( 13.975 11.197 -4.162) 18.385 1.991 ( 9.285 12.826 -3.997) 16.330 3.121 ( -0.568 4.415 0.310) 4.462 3.186 ( 12.023 11.516 -7.355) 18.201 3.981 ( 11.983 8.117 4.189) 15.067 4.413 ( -4.352 -6.884 8.004) 11.420 5.915 ( 4.943 5.461 2.760) 7.866 6.298 ( 0.285 -0.441 -0.132) 0.541 6.467 ( 0.171 3.534 -1.429) 3.816 7.333 ( -1.032 -1.892 -1.207) 2.470 7.506 ( -11.100 -8.242 1.069) 13.867 8.371 ( -1.192 -2.284 -6.557) 7.045======================= Grid point 21 (14/344) =======================q-point: ( 0.40 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.156 ( 8.155 5.497 -5.731) 11.382 2.252 ( 8.016 12.032 -2.305) 14.641 3.141 ( -1.390 3.309 0.921) 3.705 3.465 ( 11.086 10.209 -6.153) 16.279 4.194 ( 5.535 2.927 1.643) 6.473 4.310 ( -4.191 -5.397 9.644) 11.820 6.041 ( 2.506 5.602 2.733) 6.718 6.341 ( 3.926 1.879 -0.785) 4.423 6.515 ( 1.510 3.960 -1.490) 4.493 7.219 ( -12.782 -6.409 2.915) 14.592 7.270 ( -3.310 -3.411 -5.287) 7.110 8.360 ( 3.179 -1.534 -3.109) 4.704======================= Grid point 22 (15/344) =======================q-point: ( 0.47 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.279 ( 3.991 2.349 -3.347) 5.714 2.449 ( 2.983 9.887 -1.875) 10.496 3.147 ( -1.448 2.236 0.964) 2.833 3.719 ( 10.076 9.079 -7.350) 15.426 4.187 ( -6.691 -5.930 12.074) 15.024 4.279 ( 2.188 0.157 -1.561) 2.692 6.120 ( -0.586 5.740 1.747) 6.029 6.446 ( 6.093 1.927 -1.533) 6.572 6.577 ( 1.810 3.340 -0.710) 3.865 6.950 ( -11.585 -5.108 0.358) 12.666 7.192 ( -2.143 -1.024 -1.997) 3.103 8.400 ( 3.722 -2.101 -0.967) 4.382======================= Grid point 23 (16/344) =======================q-point: (-0.47 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.324 ( 0.731 0.253 -0.599) 0.979 2.525 ( -3.264 6.730 -0.133) 7.481 3.144 ( -1.379 1.813 0.202) 2.287 3.921 ( 7.669 6.429 -12.327) 15.878 4.011 ( -9.691 -5.918 6.399) 13.034 4.311 ( 1.339 -1.009 5.462) 5.713 6.142 ( -3.324 4.956 0.342) 5.977 6.527 ( 2.117 -2.257 -0.055) 3.095 6.630 ( -0.874 1.757 -0.080) 1.964 6.786 ( -1.609 1.989 -0.814) 2.685 7.172 ( 0.216 0.765 0.851) 1.165 8.423 ( 2.103 -3.292 -0.209) 3.912======================= Grid point 24 (17/344) =======================q-point: (-0.40 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.305 ( -2.432 -2.012 2.254) 3.879 2.466 ( -9.424 2.597 1.973) 9.973 3.139 ( -1.506 2.299 -0.797) 2.862 3.765 ( -12.210 -5.349 1.909) 13.467 4.069 ( 7.493 3.011 -11.811) 14.307 4.319 ( -2.170 -1.196 6.062) 6.549 6.107 ( -5.215 2.852 -1.069) 6.039 6.458 ( -5.036 -4.105 1.015) 6.575 6.582 ( -3.216 0.230 0.412) 3.251 6.939 ( 9.891 7.699 -1.807) 12.664 7.218 ( 2.973 1.510 3.415) 4.773 8.409 ( 0.654 -4.039 0.813) 4.171======================= Grid point 25 (18/344) =======================q-point: (-0.33 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.207 ( -7.240 -4.597 5.218) 10.039 2.275 ( -14.322 -1.513 2.821) 14.676 3.131 ( -2.264 3.200 -1.211) 4.103 3.512 ( -12.731 -4.973 3.950) 14.227 4.167 ( 1.767 -0.381 -5.282) 5.583 4.240 ( -2.414 -1.133 -3.987) 4.796 6.018 ( -6.410 0.313 -2.179) 6.778 6.345 ( -4.124 -2.096 0.126) 4.627 6.529 ( -3.831 0.594 1.386) 4.117 7.184 ( 9.962 7.045 -4.180) 12.897 7.320 ( 6.134 1.634 5.319) 8.282 8.390 ( 1.219 -3.098 3.367) 4.735======================= Grid point 26 (19/344) =======================q-point: (-0.27 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.949 ( -17.641 -7.743 5.224) 19.961 2.030 ( -13.944 -2.818 4.279) 14.855 3.113 ( -3.436 3.328 -1.411) 4.988 3.252 ( -15.293 -5.047 6.548) 17.385 3.949 ( -14.963 -6.545 -2.867) 16.582 4.338 ( 9.369 1.890 -8.147) 12.559 5.889 ( -7.231 -1.341 -2.630) 7.810 6.297 ( -0.125 0.012 -0.341) 0.364 6.482 ( -3.064 1.148 1.671) 3.674 7.321 ( 2.956 1.613 -3.507) 4.862 7.511 ( 10.951 3.710 1.942) 11.724 8.430 ( 4.022 -0.288 6.274) 7.458======================= Grid point 27 (20/344) =======================q-point: (-0.20 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.551 ( -20.659 -9.593 4.027) 23.131 1.739 ( -19.667 -1.584 4.774) 20.300 2.875 ( -25.198 -7.195 3.357) 26.419 3.080 ( -3.951 2.593 -1.020) 4.835 3.611 ( -14.507 -6.549 -2.690) 16.142 4.503 ( 10.034 1.799 -4.214) 11.030 5.742 ( -7.289 -1.811 -2.342) 7.867 6.336 ( 3.777 1.253 -0.441) 4.004 6.463 ( -1.068 1.181 1.343) 2.084 7.326 ( -1.021 -1.050 -1.724) 2.262 7.734 ( 11.074 3.191 -0.519) 11.536 8.547 ( 5.917 1.733 6.119) 8.687======================= Grid point 28 (21/344) =======================q-point: (-0.13 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.111 ( -21.874 -8.311 2.519) 23.535 1.374 ( -24.367 0.481 3.845) 24.673 2.269 ( -37.080 -7.832 -2.047) 37.954 3.036 ( -2.916 0.949 -0.747) 3.156 3.347 ( -11.053 -3.362 0.303) 11.557 4.673 ( 9.023 1.178 -1.238) 9.184 5.605 ( -6.177 -1.281 -1.450) 6.473 6.425 ( 4.861 1.050 -0.339) 4.985 6.474 ( 0.811 0.652 0.692) 1.250 7.279 ( -2.487 -1.063 0.481) 2.747 7.939 ( 10.459 1.980 -0.826) 10.677 8.673 ( 4.916 1.408 3.158) 6.011======================= Grid point 29 (22/344) =======================q-point: (-0.07 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.696 ( -21.789 0.000 0.000) 21.789 0.953 ( -27.079 0.000 0.000) 27.079 1.528 ( -43.484 0.000 0.000) 43.484 3.001 ( -1.552 0.000 0.000) 1.552 3.163 ( -8.972 0.000 0.000) 8.972 4.810 ( 6.514 -0.000 -0.000) 6.514 5.507 ( -4.278 0.000 0.000) 4.278 6.499 ( 3.101 -0.000 -0.000) 3.101 6.501 ( 1.654 -0.000 -0.000) 1.654 7.238 ( -1.726 0.000 0.000) 1.726 8.113 ( 8.855 -0.000 -0.000) 8.855 8.748 ( 2.563 -0.000 -0.000) 2.563======================= Grid point 32 (23/344) =======================q-point: ( 0.13 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.047 ( 0.000 22.036 11.308) 24.768 1.093 ( 0.000 24.764 8.756) 26.267 1.752 ( 0.000 41.310 4.445) 41.548 2.975 ( -0.000 0.668 -2.561) 2.647 3.224 ( 0.000 10.527 -0.546) 10.541 4.750 ( -0.000 -7.966 -2.543) 8.362 5.492 ( -0.000 4.297 -3.171) 5.340 6.470 ( -0.000 -4.133 -0.439) 4.156 6.515 ( 0.000 -1.428 1.940) 2.409 7.132 ( -0.000 5.906 -15.688) 16.763 8.086 ( 0.000 -9.799 3.197) 10.308 8.763 ( 0.000 -2.501 1.119) 2.740======================= Grid point 33 (24/344) =======================q-point: ( 0.20 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.247 ( -0.942 23.050 11.166) 25.630 1.430 ( 5.931 22.184 2.114) 23.060 2.270 ( 12.686 34.056 2.004) 36.397 3.015 ( 4.120 1.908 -1.475) 4.774 3.346 ( 2.421 11.253 -0.304) 11.514 4.644 ( -1.550 -9.244 -1.793) 9.543 5.571 ( 4.376 5.246 -2.084) 7.143 6.413 ( -1.207 -4.828 -0.555) 5.007 6.500 ( -0.924 -0.701 1.736) 2.088 7.172 ( 3.437 3.984 -10.788) 12.003 7.966 ( -3.467 -10.363 3.266) 11.405 8.696 ( -4.706 -3.185 -0.939) 5.759======================= Grid point 34 (25/344) =======================q-point: ( 0.27 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.535 ( 5.244 21.658 7.475) 23.504 1.724 ( 6.065 17.831 -1.835) 18.924 2.754 ( 11.808 22.070 -5.660) 25.663 3.121 ( 3.318 5.220 0.069) 6.186 3.557 ( 9.400 12.338 3.310) 15.860 4.519 ( -2.007 -9.694 1.053) 9.956 5.716 ( 6.256 6.234 -0.036) 8.832 6.340 ( -1.819 -4.034 -0.691) 4.478 6.492 ( -0.757 1.498 0.865) 1.888 7.242 ( 4.625 0.904 -6.371) 7.924 7.797 ( -5.924 -9.996 3.270) 12.071 8.548 ( -7.460 -3.621 -3.932) 9.178======================= Grid point 35 (26/344) =======================q-point: ( 0.33 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.854 ( 7.213 16.892 1.679) 18.444 1.983 ( 7.161 15.096 -1.730) 16.797 3.083 ( 10.297 13.493 -7.549) 18.576 3.200 ( -0.148 6.423 -0.744) 6.467 3.884 ( 11.711 11.596 4.142) 16.993 4.403 ( -1.656 -9.178 4.830) 10.503 5.890 ( 6.083 6.885 1.991) 9.400 6.286 ( -0.414 -1.606 -1.196) 2.045 6.511 ( -0.392 4.151 -0.248) 4.177 7.285 ( 2.726 -2.364 -4.613) 5.856 7.596 ( -8.194 -8.937 3.347) 12.578 8.380 ( -5.671 -3.321 -5.258) 8.416======================= Grid point 36 (27/344) =======================q-point: ( 0.40 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.085 ( 6.119 8.764 -3.118) 11.134 2.263 ( 7.119 16.670 0.167) 18.128 3.213 ( -1.687 4.977 -1.170) 5.384 3.379 ( 10.149 11.508 -4.109) 15.884 4.133 ( 6.276 5.138 0.703) 8.141 4.320 ( -1.140 -6.829 7.368) 10.110 6.055 ( 4.395 6.809 3.339) 8.765 6.297 ( 2.534 1.236 -2.055) 3.489 6.553 ( -0.306 5.650 -1.038) 5.752 7.252 ( -0.881 -4.376 -5.797) 7.316 7.369 ( -10.660 -6.431 3.496) 12.931 8.290 ( 0.359 -3.042 -3.339) 4.531======================= Grid point 37 (28/344) =======================q-point: ( 0.47 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.228 ( 4.401 4.692 -2.848) 7.035 2.515 ( 3.682 15.546 -0.555) 15.986 3.216 ( -2.684 3.743 0.345) 4.618 3.640 ( 9.084 10.440 -3.881) 14.373 4.209 ( 2.109 -4.768 8.275) 9.781 4.264 ( -2.531 -1.458 -1.512) 3.289 6.185 ( 1.944 6.816 2.938) 7.672 6.372 ( 4.444 2.534 -2.274) 5.598 6.596 ( -0.182 4.492 -1.052) 4.617 7.091 ( -10.122 -4.997 -2.508) 11.564 7.219 ( -3.148 -1.080 0.004) 3.328 8.295 ( 4.209 -3.890 -1.080) 5.832======================= Grid point 38 (29/344) =======================q-point: ( 0.53 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.307 ( 1.864 2.109 -1.540) 3.208 2.670 ( -2.041 13.112 -0.319) 13.274 3.203 ( -2.656 2.865 0.781) 3.984 3.842 ( 6.017 7.718 -7.426) 12.285 4.114 ( -7.621 -5.781 1.143) 9.634 4.272 ( 3.955 -1.985 6.632) 7.973 6.259 ( -2.157 6.713 1.123) 7.140 6.461 ( 3.924 0.897 -1.109) 4.175 6.631 ( 1.274 1.326 -0.289) 1.862 6.895 ( -8.536 1.169 -1.126) 8.688 7.188 ( -0.786 0.939 0.279) 1.256 8.323 ( 4.237 -5.321 -0.373) 6.812======================= Grid point 39 (30/344) =======================q-point: (-0.40 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.322 ( -0.890 -0.186 -0.014) 0.909 2.686 ( -9.075 8.617 1.340) 12.586 3.195 ( -1.868 3.507 0.029) 3.973 3.891 ( -8.908 -4.160 -7.496) 12.363 3.965 ( 3.881 1.615 -4.290) 6.007 4.345 ( 1.630 -0.264 9.273) 9.419 6.241 ( -6.158 4.049 -0.703) 7.403 6.481 ( -1.200 -2.478 0.847) 2.880 6.638 ( -1.530 0.599 0.444) 1.702 6.890 ( 3.170 8.289 -1.508) 9.001 7.206 ( 1.036 1.427 2.012) 2.675 8.326 ( 3.041 -6.287 -0.075) 6.984======================= Grid point 40 (31/344) =======================q-point: (-0.33 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.273 ( -3.908 -2.236 1.705) 4.815 2.542 ( -15.042 3.101 2.425) 15.549 3.208 ( -1.913 5.247 -0.403) 5.599 3.659 ( -10.020 -5.522 -2.525) 11.716 4.050 ( 6.167 1.207 -6.807) 9.264 4.337 ( -5.585 -0.544 5.207) 7.655 6.141 ( -7.613 0.885 -1.596) 7.829 6.402 ( -4.548 -2.165 0.749) 5.093 6.616 ( -3.700 3.005 1.070) 4.886 7.081 ( 9.048 7.874 -2.720) 12.300 7.262 ( 3.449 0.445 3.629) 5.026 8.317 ( 3.111 -5.485 1.199) 6.419======================= Grid point 41 (32/344) =======================q-point: (-0.27 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.148 ( -9.396 -3.732 3.372) 10.658 2.277 ( -17.679 -0.084 1.630) 17.754 3.218 ( -3.612 5.865 -0.591) 6.914 3.437 ( -10.290 -4.860 1.597) 11.491 4.136 ( -5.410 -1.148 0.791) 5.586 4.189 ( -0.411 -0.762 -5.747) 5.812 6.006 ( -7.976 -0.363 -1.705) 8.165 6.320 ( -3.052 -0.774 0.237) 3.157 6.573 ( -4.912 2.645 1.103) 5.687 7.268 ( 5.116 4.103 -4.551) 7.983 7.370 ( 8.888 0.456 4.062) 9.783 8.352 ( 5.228 -2.536 3.046) 6.561======================= Grid point 42 (33/344) =======================q-point: (-0.20 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.857 ( -20.755 -3.496 2.373) 21.181 2.017 ( -14.250 -0.531 1.311) 14.320 3.169 ( -10.115 2.105 -1.374) 10.423 3.218 ( -11.004 -1.408 3.665) 11.683 3.831 ( -18.650 -3.343 -1.358) 18.996 4.324 ( 10.578 0.469 -3.087) 11.029 5.859 ( -8.320 -0.541 -1.142) 8.416 6.299 ( 1.003 0.170 -0.019) 1.018 6.519 ( -3.792 1.268 0.671) 4.054 7.317 ( 0.776 0.052 -1.625) 1.801 7.566 ( 11.294 1.244 0.488) 11.373 8.458 ( 7.158 0.002 2.828) 7.696======================= Grid point 43 (34/344) =======================q-point: (-0.13 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.463 ( -23.219 0.000 0.000) 23.219 1.744 ( -18.754 0.000 0.000) 18.754 2.810 ( -29.313 0.000 0.000) 29.313 3.112 ( -5.365 0.000 0.000) 5.365 3.531 ( -13.704 0.000 0.000) 13.704 4.506 ( 10.831 -0.000 -0.000) 10.831 5.716 ( -7.792 0.000 0.000) 7.792 6.348 ( 4.254 -0.000 -0.000) 4.254 6.482 ( -1.361 0.000 0.000) 1.361 7.307 ( -1.338 0.000 0.000) 1.338 7.764 ( 11.228 -0.000 -0.000) 11.228 8.585 ( 6.779 -0.000 -0.000) 6.779======================= Grid point 48 (35/344) =======================q-point: ( 0.20 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.516 ( 0.000 20.017 7.574) 21.402 1.603 ( 0.000 22.454 6.229) 23.302 2.524 ( 0.000 35.166 1.213) 35.187 2.976 ( -0.000 1.166 -2.786) 3.020 3.447 ( 0.000 12.775 -0.057) 12.775 4.552 ( -0.000 -10.604 -1.920) 10.776 5.581 ( -0.000 6.752 -2.665) 7.259 6.373 ( -0.000 -4.969 -0.227) 4.975 6.503 ( 0.000 -0.951 1.727) 1.972 7.148 ( -0.000 3.456 -10.193) 10.762 7.899 ( 0.000 -11.079 2.875) 11.446 8.703 ( -0.000 -3.866 -0.275) 3.875======================= Grid point 49 (36/344) =======================q-point: ( 0.27 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.738 ( 1.512 20.624 7.565) 22.019 1.828 ( 0.910 17.585 1.576) 17.679 2.839 ( 2.143 22.356 -5.146) 23.041 3.069 ( 7.817 5.570 -0.995) 9.650 3.604 ( 2.865 15.600 2.448) 16.048 4.438 ( -0.501 -10.990 0.244) 11.004 5.686 ( 4.522 7.666 -1.220) 8.983 6.321 ( -0.853 -3.828 -0.208) 3.928 6.505 ( 0.469 0.237 1.163) 1.276 7.166 ( 2.532 0.836 -7.858) 8.298 7.776 ( -2.715 -10.673 2.551) 11.305 8.616 ( -5.235 -4.076 -1.641) 6.835======================= Grid point 50 (37/344) =======================q-point: ( 0.33 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.976 ( -0.245 14.890 1.634) 14.981 2.026 ( 6.257 17.749 3.095) 19.072 3.046 ( 6.635 12.039 -5.968) 14.986 3.229 ( 3.391 6.193 -3.538) 7.898 3.869 ( 7.146 16.704 3.719) 18.545 4.334 ( -0.131 -10.043 3.501) 10.636 5.860 ( 6.465 8.171 1.082) 10.475 6.277 ( -0.776 -1.517 -0.954) 1.953 6.537 ( 1.467 2.566 0.221) 2.964 7.188 ( 3.267 -2.722 -6.065) 7.408 7.623 ( -4.668 -9.377 2.624) 10.798 8.455 ( -7.838 -3.625 -3.057) 9.161======================= Grid point 51 (38/344) =======================q-point: ( 0.40 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.100 ( 2.120 8.918 -1.683) 9.320 2.330 ( 6.434 18.884 3.724) 20.294 3.254 ( 4.361 7.463 -4.320) 9.663 3.319 ( 5.819 6.686 -1.763) 9.037 4.100 ( 3.950 5.945 -0.316) 7.145 4.281 ( 1.091 -3.535 5.869) 6.937 6.049 ( 5.596 7.560 3.394) 9.999 6.271 ( 1.093 1.381 -2.425) 2.997 6.599 ( 1.344 4.782 -0.864) 5.042 7.177 ( 2.002 -5.172 -5.675) 7.935 7.457 ( -6.438 -7.125 2.813) 10.006 8.294 ( -5.488 -3.013 -2.691) 6.814======================= Grid point 52 (39/344) =======================q-point: ( 0.47 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.213 ( 2.984 6.054 -1.480) 6.910 2.613 ( 4.552 17.780 2.219) 18.487 3.295 ( -1.780 4.212 -1.672) 4.869 3.564 ( 10.992 8.406 0.154) 13.839 4.130 ( 2.446 -6.215 3.524) 7.551 4.299 ( -2.273 2.352 -1.319) 3.527 6.203 ( 3.695 5.670 3.627) 7.678 6.330 ( 3.501 3.779 -2.671) 5.802 6.649 ( -0.716 4.181 -1.500) 4.500 7.127 ( -0.694 -3.517 -5.203) 6.319 7.295 ( -6.798 -3.445 2.290) 7.958 8.211 ( 0.008 -3.735 -0.864) 3.834======================= Grid point 53 (40/344) =======================q-point: ( 0.53 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.300 ( 1.911 3.703 -0.931) 4.270 2.829 ( 0.550 16.032 1.087) 16.079 3.286 ( -3.128 3.106 0.340) 4.421 3.803 ( 6.970 7.508 -1.460) 10.348 4.140 ( 2.999 -6.480 7.758) 10.544 4.215 ( -4.186 -1.496 -6.059) 7.515 6.313 ( 2.575 4.739 0.592) 5.426 6.423 ( 3.140 3.422 -0.062) 4.645 6.637 ( -1.966 -0.456 -1.172) 2.334 7.050 ( -6.372 3.257 -2.515) 7.585 7.213 ( -1.444 0.091 0.655) 1.588 8.197 ( 3.341 -5.683 0.039) 6.592======================= Grid point 54 (41/344) =======================q-point: (-0.40 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.338 ( -0.266 1.490 -0.443) 1.577 2.928 ( -6.526 12.200 1.225) 13.890 3.265 ( -2.317 3.038 0.880) 3.921 3.917 ( 2.079 3.827 -4.771) 6.460 3.981 ( -9.212 -6.167 -5.624) 12.431 4.292 ( 7.720 -0.904 8.410) 11.452 6.357 ( -2.982 3.049 -1.332) 4.467 6.474 ( 0.115 0.258 0.749) 0.800 6.618 ( 2.620 -1.399 0.765) 3.067 7.002 ( -5.050 9.167 -1.358) 10.553 7.218 ( 0.036 1.334 0.832) 1.573 8.198 ( 3.908 -7.053 -0.106) 8.064======================= Grid point 55 (42/344) =======================q-point: (-0.33 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.318 ( -2.631 -0.270 0.151) 2.649 2.839 ( -14.085 5.334 1.775) 15.165 3.287 ( -0.827 5.635 0.677) 5.735 3.739 ( -9.034 -6.337 -6.261) 12.688 3.969 ( 3.101 1.010 -2.985) 4.421 4.399 ( 1.225 0.610 5.977) 6.132 6.269 ( -7.404 -0.035 -1.215) 7.503 6.449 ( -2.547 -1.187 0.467) 2.849 6.677 ( 1.641 2.041 1.386) 2.963 7.058 ( 1.460 9.191 -1.773) 9.474 7.236 ( 0.978 -0.092 1.893) 2.133 8.198 ( 4.174 -6.130 0.052) 7.416======================= Grid point 56 (43/344) =======================q-point: (-0.27 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.247 ( -5.165 -0.985 0.650) 5.298 2.597 ( -18.251 1.136 1.091) 18.319 3.329 ( -1.868 6.255 0.960) 6.598 3.524 ( -7.794 -5.978 -2.768) 10.205 4.038 ( 5.557 0.387 -2.135) 5.966 4.355 ( -8.546 -0.051 2.073) 8.794 6.132 ( -7.858 -0.409 -0.779) 7.907 6.379 ( -4.287 -0.629 0.258) 4.341 6.684 ( -3.848 2.209 0.754) 4.501 7.199 ( 6.716 5.882 -3.398) 9.552 7.267 ( 3.378 -2.375 3.335) 5.308 8.236 ( 5.680 -2.789 0.697) 6.366======================= Grid point 57 (44/344) =======================q-point: (-0.20 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.120 ( -10.506 0.000 0.000) 10.506 2.282 ( -18.625 0.000 0.000) 18.625 3.325 ( -4.883 0.000 0.000) 4.883 3.346 ( -7.820 0.000 0.000) 7.820 4.133 ( -17.263 0.000 0.000) 17.263 4.156 ( 8.654 -0.000 -0.000) 8.654 5.994 ( -8.144 0.000 0.000) 8.144 6.314 ( -2.635 0.000 0.000) 2.635 6.610 ( -5.594 0.000 0.000) 5.594 7.292 ( 2.071 -0.000 -0.000) 2.071 7.387 ( 10.587 -0.000 -0.000) 10.587 8.336 ( 7.242 -0.000 -0.000) 7.242======================= Grid point 64 (45/344) =======================q-point: ( 0.27 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.904 ( 0.000 16.223 2.994) 16.497 2.015 ( 0.000 16.435 2.410) 16.611 2.991 ( -0.000 1.980 -1.752) 2.644 3.058 ( -0.000 19.802 -6.877) 20.962 3.760 ( 0.000 19.183 4.254) 19.649 4.336 ( 0.000 -10.851 1.927) 11.020 5.721 ( 0.000 8.645 -0.845) 8.686 6.298 ( 0.000 -2.360 0.408) 2.395 6.501 ( 0.000 0.000 0.651) 0.651 7.124 ( -0.000 -0.741 -7.240) 7.278 7.702 ( 0.000 -10.282 1.755) 10.430 8.616 ( -0.000 -4.364 -1.426) 4.591======================= Grid point 65 (46/344) =======================q-point: ( 0.33 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.073 ( 1.360 11.424 -1.495) 11.601 2.163 ( 1.485 14.987 3.149) 15.386 3.036 ( 3.434 4.904 -1.829) 6.260 3.217 ( 3.318 8.876 -8.731) 12.885 3.986 ( 1.829 18.579 4.194) 19.134 4.254 ( 0.313 -7.498 5.305) 9.191 5.849 ( 4.645 8.971 0.729) 10.128 6.280 ( -0.705 -0.078 0.031) 0.710 6.521 ( 1.947 1.012 -0.035) 2.195 7.099 ( 1.525 -3.480 -6.008) 7.109 7.594 ( -2.034 -9.047 1.339) 9.369 8.525 ( -5.073 -3.925 -2.033) 6.729======================= Grid point 66 (47/344) =======================q-point: ( 0.40 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.151 ( 0.360 6.743 -2.929) 7.360 2.408 ( 6.972 15.799 3.793) 17.681 3.185 ( 8.532 4.880 -0.285) 9.833 3.298 ( 2.310 4.462 -7.482) 9.013 4.092 ( 0.060 -2.525 1.121) 2.763 4.305 ( 1.050 10.511 6.236) 12.266 6.036 ( 6.192 8.389 2.804) 10.798 6.277 ( -0.429 2.376 -1.565) 2.878 6.587 ( 3.707 2.570 -0.719) 4.568 7.067 ( 2.177 -5.955 -5.041) 8.100 7.473 ( -3.342 -7.223 1.253) 8.057 8.375 ( -7.351 -2.815 -2.004) 8.123======================= Grid point 67 (48/344) =======================q-point: ( 0.47 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.224 ( 2.101 5.208 -1.551) 5.826 2.695 ( 7.113 15.513 3.203) 17.364 3.333 ( 1.041 3.608 -3.140) 4.895 3.422 ( 12.579 3.674 0.662) 13.121 4.048 ( 0.489 -6.456 2.102) 6.807 4.397 ( -3.703 8.202 0.106) 9.000 6.208 ( 3.856 5.982 4.004) 8.166 6.313 ( 1.935 4.496 -2.850) 5.664 6.669 ( 2.170 2.759 -1.499) 3.817 7.040 ( 3.649 -5.053 -4.100) 7.461 7.353 ( -4.161 -4.734 1.008) 6.383 8.232 ( -5.793 -2.190 -0.816) 6.246======================= Grid point 68 (49/344) =======================q-point: ( 0.53 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.303 ( 2.103 3.767 -0.498) 4.343 2.950 ( 4.281 14.690 2.307) 15.474 3.354 ( -1.322 2.572 -1.056) 3.079 3.698 ( 13.713 4.264 2.981) 14.667 4.014 ( 2.925 -6.760 2.608) 7.814 4.327 ( -9.351 2.076 -4.838) 10.731 6.309 ( 2.360 4.528 -0.090) 5.107 6.402 ( 3.434 3.358 0.918) 4.890 6.668 ( -2.584 -1.105 -1.619) 3.244 7.088 ( 4.530 1.762 -2.965) 5.694 7.256 ( -3.743 -1.458 0.672) 4.073 8.138 ( -2.209 -3.423 0.356) 4.090======================= Grid point 69 (50/344) =======================q-point: ( 0.60 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.354 ( 0.508 2.004 -0.152) 2.073 3.123 ( -0.961 12.586 1.395) 12.700 3.331 ( -2.800 0.807 0.831) 3.030 3.896 ( 3.087 1.946 0.246) 3.657 4.073 ( 1.612 -2.271 0.788) 2.894 4.142 ( -0.915 -2.830 -2.444) 3.850 6.383 ( 1.659 3.398 -2.478) 4.521 6.484 ( 2.460 1.473 2.924) 4.095 6.584 ( -2.889 -3.177 -0.714) 4.353 7.155 ( -2.155 6.848 -1.653) 7.368 7.223 ( 0.598 0.403 0.400) 0.825 8.088 ( 1.001 -5.187 0.395) 5.298======================= Grid point 70 (51/344) =======================q-point: (-0.33 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.356 ( -1.560 0.516 -0.052) 1.644 3.111 ( -11.245 4.772 0.925) 12.250 3.334 ( 0.956 2.937 1.018) 3.252 3.836 ( -10.458 -4.350 -3.468) 11.845 3.942 ( -0.139 1.101 -1.779) 2.096 4.323 ( 10.015 0.019 3.292) 10.543 6.375 ( -4.923 0.279 -1.153) 5.063 6.475 ( -2.052 -0.196 0.324) 2.086 6.613 ( 6.068 -0.101 0.989) 6.149 7.167 ( -2.952 6.995 -0.975) 7.654 7.233 ( -0.567 -0.795 0.737) 1.223 8.078 ( 3.406 -4.053 0.003) 5.294======================= Grid point 71 (52/344) =======================q-point: (-0.27 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.316 ( -3.365 0.000 0.000) 3.365 2.897 ( -16.003 0.000 0.000) 16.003 3.373 ( 0.661 -0.000 -0.000) 0.661 3.629 ( -9.662 0.000 0.000) 9.662 3.969 ( 2.688 -0.000 -0.000) 2.688 4.426 ( 0.996 -0.000 -0.000) 0.996 6.259 ( -7.624 0.000 0.000) 7.624 6.439 ( -2.846 0.000 0.000) 2.846 6.704 ( 3.178 -0.000 -0.000) 3.178 7.175 ( -0.599 0.000 0.000) 0.599 7.219 ( 1.200 -0.000 -0.000) 1.200 8.129 ( 4.983 -0.000 -0.000) 4.983======================= Grid point 80 (53/344) =======================q-point: ( 0.33 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.174 ( 0.000 10.877 -1.166) 10.939 2.242 ( -0.000 6.736 -2.937) 7.349 3.035 ( 0.000 3.020 0.142) 3.023 3.241 ( -0.000 6.926 -9.950) 12.124 4.099 ( 0.000 -0.242 2.554) 2.566 4.282 ( 0.000 13.352 9.514) 16.394 5.897 ( 0.000 8.905 1.304) 9.000 6.298 ( 0.000 2.181 0.524) 2.243 6.508 ( -0.000 0.732 -0.837) 1.112 7.029 ( -0.000 -5.075 -5.047) 7.157 7.530 ( -0.000 -7.984 0.470) 7.998 8.524 ( -0.000 -3.830 -1.992) 4.317======================= Grid point 81 (54/344) =======================q-point: ( 0.40 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.204 ( -1.801 4.336 -4.142) 6.261 2.392 ( 9.022 7.753 -1.369) 11.975 3.106 ( 4.612 3.073 0.848) 5.606 3.281 ( 1.616 3.984 -7.875) 8.972 4.061 ( -0.607 -5.462 3.258) 6.389 4.468 ( -0.937 16.642 7.182) 18.150 6.029 ( 4.740 8.146 2.401) 9.726 6.321 ( -1.103 4.232 -0.470) 4.399 6.540 ( 3.088 1.189 -1.119) 3.493 6.965 ( 0.908 -6.792 -3.962) 7.915 7.447 ( -1.473 -6.455 0.093) 6.622 8.445 ( -4.403 -2.914 -1.856) 5.597======================= Grid point 82 (55/344) =======================q-point: ( 0.47 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.226 ( 1.635 2.998 -2.599) 4.291 2.653 ( 12.631 8.089 -0.043) 14.999 3.250 ( 9.163 1.795 2.060) 9.561 3.326 ( 2.264 2.620 -5.399) 6.414 4.007 ( -0.978 -4.611 2.588) 5.378 4.574 ( -4.986 11.032 2.975) 12.467 6.202 ( 5.422 6.289 3.459) 8.995 6.344 ( -0.866 5.303 -2.271) 5.833 6.623 ( 4.898 1.693 -1.009) 5.279 6.911 ( 2.692 -7.139 -2.944) 8.178 7.361 ( -2.260 -4.547 -0.052) 5.078 8.323 ( -6.514 -1.591 -1.042) 6.786======================= Grid point 83 (56/344) =======================q-point: ( 0.53 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.291 ( 2.906 2.483 -0.782) 3.901 2.947 ( 11.395 8.750 0.951) 14.398 3.367 ( 1.478 1.323 -1.466) 2.467 3.469 ( 14.643 0.751 1.705) 14.761 3.957 ( -0.856 -3.607 1.412) 3.967 4.523 ( -10.420 4.719 -1.025) 11.485 6.324 ( 1.954 4.518 1.071) 5.037 6.389 ( 1.499 3.265 -0.283) 3.603 6.679 ( 0.061 -0.536 -1.369) 1.471 6.950 ( 9.215 -2.385 -1.624) 9.656 7.289 ( -2.214 -2.082 -0.166) 3.043 8.198 ( -6.435 -1.078 -0.016) 6.524======================= Grid point 84 (57/344) =======================q-point: ( 0.60 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.351 ( 1.882 1.275 -0.095) 2.275 3.181 ( 6.467 7.055 0.766) 9.601 3.374 ( -1.505 -0.086 -0.026) 1.508 3.767 ( 18.041 1.265 2.208) 18.219 3.921 ( 0.485 -3.078 0.266) 3.128 4.327 ( -14.409 0.526 -2.510) 14.636 6.387 ( 1.014 4.032 -2.553) 4.879 6.439 ( 3.019 -1.043 3.007) 4.386 6.628 ( -3.727 -1.266 -0.766) 4.010 7.114 ( 9.322 1.188 -0.761) 9.428 7.248 ( -1.631 0.210 -0.187) 1.655 8.090 ( -4.741 -1.490 0.330) 4.980======================= Grid point 85 (58/344) =======================q-point: (-0.33 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.373 ( 0.053 -0.000 -0.000) 0.053 3.298 ( -7.066 0.000 0.000) 7.066 3.307 ( 3.656 -0.000 -0.000) 3.656 3.899 ( -0.562 0.000 0.000) 0.562 4.073 ( -13.990 0.000 0.000) 13.990 4.093 ( 17.128 -0.000 -0.000) 17.128 6.412 ( 0.046 -0.000 -0.000) 0.046 6.511 ( 5.432 -0.000 -0.000) 5.432 6.541 ( -5.166 0.000 0.000) 5.166 7.228 ( 2.621 -0.000 -0.000) 2.621 7.229 ( -1.154 0.000 0.000) 1.154 8.031 ( -0.659 0.000 0.000) 0.659======================= Grid point 96 (59/344) =======================q-point: ( 0.40 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.256 ( -0.000 -1.247 -6.129) 6.255 2.318 ( -0.000 5.586 -2.746) 6.225 3.102 ( 0.000 3.091 1.167) 3.304 3.278 ( -0.000 2.558 -5.655) 6.207 4.029 ( 0.000 -4.308 3.351) 5.458 4.660 ( 0.000 14.792 6.704) 16.241 6.067 ( 0.000 6.880 2.501) 7.321 6.384 ( 0.000 6.255 -0.027) 6.255 6.515 ( -0.000 0.737 -1.871) 2.011 6.877 ( -0.000 -7.811 -2.689) 8.261 7.402 ( -0.000 -5.121 -0.409) 5.137 8.449 ( -0.000 -2.549 -1.702) 3.065======================= Grid point 97 (60/344) =======================q-point: ( 0.47 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.213 ( 0.490 -0.114 -3.654) 3.689 2.470 ( 12.004 2.513 -2.565) 12.529 3.167 ( 4.087 2.259 1.252) 4.835 3.297 ( 1.598 1.377 -3.411) 4.011 3.996 ( -0.869 -2.779 2.304) 3.713 4.768 ( -3.806 9.715 4.062) 11.197 6.176 ( 4.738 4.988 2.480) 7.313 6.423 ( -2.311 6.166 -1.415) 6.735 6.557 ( 3.998 1.591 -0.787) 4.375 6.799 ( 1.062 -8.212 -1.751) 8.464 7.349 ( -1.112 -3.432 -0.440) 3.635 8.393 ( -3.626 -1.492 -1.096) 4.071======================= Grid point 98 (61/344) =======================q-point: ( 0.53 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.248 ( 3.478 0.715 -1.019) 3.694 2.740 ( 17.407 1.944 -0.866) 17.537 3.289 ( 8.176 0.843 1.554) 8.365 3.335 ( 2.510 0.688 -1.972) 3.265 3.960 ( -1.545 -1.417 1.022) 2.332 4.735 ( -8.857 3.976 1.017) 9.761 6.307 ( 4.726 2.441 1.663) 5.573 6.429 ( -1.994 3.556 -1.419) 4.317 6.649 ( 3.334 1.700 -0.190) 3.747 6.770 ( 6.081 -5.327 -0.961) 8.141 7.300 ( -1.518 -1.519 -0.251) 2.162 8.299 ( -5.887 -0.478 -0.307) 5.914======================= Grid point 99 (62/344) =======================q-point: (-0.40 -0.60 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.312 ( 3.331 -0.000 -0.000) 3.331 3.037 ( 14.674 -0.000 -0.000) 14.674 3.372 ( 1.563 -0.000 -0.000) 1.563 3.481 ( 14.509 -0.000 -0.000) 14.509 3.927 ( -1.605 0.000 0.000) 1.605 4.566 ( -13.078 0.000 0.000) 13.078 6.383 ( 2.961 -0.000 -0.000) 2.961 6.415 ( -1.189 0.000 0.000) 1.189 6.662 ( -1.173 0.000 0.000) 1.173 6.923 ( 12.407 -0.000 -0.000) 12.407 7.269 ( -1.290 0.000 0.000) 1.290 8.188 ( -6.771 0.000 0.000) 6.771======================= Grid point 113 (63/344) =======================q-point: ( 0.47 0.47 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.184 ( -0.000 -1.725 -3.051) 3.505 2.373 ( -0.000 1.638 -1.302) 2.092 3.153 ( 0.000 1.309 0.593) 1.437 3.284 ( -0.000 0.544 -1.565) 1.657 3.990 ( 0.000 -1.306 1.246) 1.805 4.888 ( 0.000 5.337 2.500) 5.894 6.176 ( 0.000 2.669 1.435) 3.031 6.514 ( -0.000 0.226 -1.155) 1.177 6.529 ( 0.000 8.444 -0.267) 8.448 6.703 ( -0.000 -8.858 -0.655) 8.882 7.331 ( -0.000 -1.798 -0.330) 1.828 8.408 ( -0.000 -0.885 -0.663) 1.106======================= Grid point 114 (64/344) =======================q-point: (-0.47 -0.53 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.194 ( 2.613 -0.000 -0.000) 2.613 2.484 ( 11.953 -0.000 -0.000) 11.953 3.195 ( 4.041 -0.000 -0.000) 4.041 3.299 ( 1.608 -0.000 -0.000) 1.608 3.977 ( -0.954 0.000 0.000) 0.954 4.877 ( -4.857 0.000 0.000) 4.857 6.235 ( 4.725 -0.000 -0.000) 4.725 6.487 ( -2.477 0.000 0.000) 2.477 6.629 ( 2.220 -0.000 -0.000) 2.220 6.646 ( 2.883 -0.000 -0.000) 2.883 7.313 ( -0.969 0.000 0.000) 0.969 8.375 ( -3.277 0.000 0.000) 3.277======================= Grid point 245 (65/344) =======================q-point: ( 0.07 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.233 ( 0.000 -0.000 25.215) 25.215 0.233 ( 0.000 -0.000 25.215) 25.215 0.389 ( 0.000 -0.000 42.191) 42.191 2.974 ( -0.000 0.000 -1.219) 1.219 2.974 ( -0.000 0.000 -1.219) 1.219 5.423 ( -0.000 0.000 -5.833) 5.833 5.430 ( -0.000 0.000 -1.166) 1.166 5.430 ( -0.000 0.000 -1.166) 1.166 6.541 ( 0.000 -0.000 0.801) 0.801 6.541 ( 0.000 -0.000 0.801) 0.801 8.295 ( 0.000 -0.000 2.602) 2.602 8.880 ( -0.000 0.000 -0.725) 0.725======================= Grid point 246 (66/344) =======================q-point: ( 0.13 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.469 ( 16.152 9.326 8.486) 20.491 0.527 ( 15.206 8.779 14.261) 22.620 1.081 ( 34.595 19.974 19.689) 44.536 2.984 ( 0.835 0.482 -0.889) 1.312 3.032 ( 5.313 3.068 -2.547) 6.643 4.891 ( -5.014 -2.895 0.065) 5.790 5.467 ( 2.839 1.639 -0.211) 3.285 6.522 ( -1.530 -0.883 0.333) 1.798 6.535 ( -0.673 -0.389 0.530) 0.940 6.902 ( 22.765 13.143 -41.858) 49.428 8.247 ( -5.130 -2.962 3.733) 7.002 8.783 ( -4.096 -2.365 1.740) 5.039======================= Grid point 247 (67/344) =======================q-point: ( 0.20 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.885 ( 18.883 10.902 1.847) 21.882 0.940 ( 18.394 10.620 3.867) 21.589 1.880 ( 31.701 18.303 8.744) 37.635 3.006 ( 1.261 0.728 -0.500) 1.539 3.201 ( 10.239 5.912 -0.807) 11.851 4.778 ( -5.169 -2.984 -1.425) 6.136 5.555 ( 4.863 2.808 0.671) 5.655 6.480 ( -2.015 -1.163 -0.185) 2.334 6.492 ( -3.383 -1.953 1.051) 4.045 7.126 ( 9.410 5.433 -16.431) 19.699 8.103 ( -8.486 -4.899 4.449) 10.761 8.679 ( -5.350 -3.089 -3.453) 7.077======================= Grid point 248 (68/344) =======================q-point: ( 0.27 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.312 ( 18.743 10.821 -0.817) 21.658 1.357 ( 18.155 10.482 -2.132) 21.072 2.519 ( 23.922 13.811 -2.223) 27.712 3.036 ( 1.497 0.864 -0.045) 1.729 3.486 ( 14.483 8.362 4.380) 17.288 4.654 ( -5.700 -3.291 1.234) 6.696 5.685 ( 6.259 3.614 1.501) 7.381 6.401 ( -4.492 -2.593 0.879) 5.261 6.439 ( -1.338 -0.773 -0.815) 1.747 7.270 ( 6.248 3.607 -6.421) 9.658 7.904 ( -10.380 -5.993 4.387) 12.764 8.525 ( -6.412 -3.702 -7.592) 10.604======================= Grid point 249 (69/344) =======================q-point: ( 0.33 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.710 ( 16.876 9.744 -2.239) 19.615 1.728 ( 15.720 9.076 -5.864) 19.076 2.951 ( 16.775 9.685 -7.930) 20.931 3.071 ( 1.472 0.850 0.464) 1.762 3.841 ( 14.321 8.268 6.543) 17.784 4.536 ( -5.640 -3.256 5.547) 8.555 5.835 ( 6.336 3.658 2.298) 7.669 6.321 ( -2.379 -1.374 0.750) 2.848 6.424 ( 0.463 0.267 -1.543) 1.633 7.343 ( 1.016 0.586 -2.961) 3.185 7.663 ( -12.183 -7.034 3.163) 14.419 8.383 ( -3.172 -1.832 -8.316) 9.087======================= Grid point 250 (70/344) =======================q-point: ( 0.40 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.016 ( 11.566 6.678 -7.012) 15.084 2.045 ( 13.541 7.818 -2.885) 15.900 3.102 ( 1.111 0.642 0.931) 1.586 3.263 ( 13.740 7.933 -7.670) 17.623 4.120 ( 8.674 5.008 3.581) 10.637 4.434 ( -5.663 -3.269 9.564) 11.585 5.969 ( 4.696 2.711 2.750) 6.080 6.314 ( 1.717 0.991 0.248) 1.998 6.453 ( 2.635 1.521 -2.029) 3.657 7.301 ( -3.347 -1.933 -2.575) 4.644 7.376 ( -13.615 -7.860 0.299) 15.724 8.350 ( 1.729 0.998 -4.749) 5.152======================= Grid point 251 (71/344) =======================q-point: ( 0.47 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.203 ( 6.885 3.975 -5.567) 9.706 2.293 ( 9.107 5.258 -2.724) 10.863 3.124 ( 0.450 0.260 1.133) 1.246 3.531 ( 12.283 7.092 -8.163) 16.365 4.256 ( 2.943 1.699 -0.308) 3.412 4.329 ( -6.556 -3.785 12.997) 15.040 6.056 ( 2.340 1.351 2.373) 3.596 6.393 ( 5.172 2.986 -0.766) 6.021 6.519 ( 3.356 1.937 -1.773) 4.261 7.075 ( -12.698 -7.331 -0.083) 14.662 7.214 ( -3.066 -1.770 -2.441) 4.300 8.400 ( 2.869 1.656 -1.814) 3.777======================= Grid point 252 (72/344) =======================q-point: ( 0.53 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.299 ( 3.076 1.776 -2.743) 4.488 2.432 ( 3.835 2.214 -1.638) 4.722 3.129 ( -0.241 -0.139 0.780) 0.829 3.756 ( 10.246 5.916 -12.014) 16.862 4.144 ( -9.447 -5.454 3.611) 11.490 4.339 ( 0.876 0.506 9.582) 9.635 6.091 ( 0.310 0.179 1.400) 1.445 6.527 ( 6.301 3.638 -0.934) 7.335 6.576 ( 1.751 1.011 -1.007) 2.258 6.826 ( -8.684 -5.014 -0.550) 10.043 7.169 ( -0.434 -0.251 0.344) 0.608 8.446 ( 1.363 0.787 -0.756) 1.746======================= Grid point 253 (73/344) =======================q-point: (-0.40 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.331 ( 0.036 0.021 0.581) 0.583 2.451 ( -2.075 -1.198 0.226) 2.406 3.119 ( -0.629 -0.363 -0.169) 0.746 3.854 ( -4.206 -2.428 -9.899) 11.026 3.984 ( 1.188 0.686 -1.598) 2.106 4.365 ( -1.602 -0.925 8.848) 9.039 6.080 ( -1.539 -0.889 0.207) 1.790 6.544 ( -5.966 -3.444 0.739) 6.928 6.584 ( -0.837 -0.483 -0.101) 0.972 6.806 ( 8.346 4.819 -2.271) 9.902 7.198 ( 2.442 1.410 3.060) 4.161 8.453 ( -0.488 -0.282 -0.007) 0.564======================= Grid point 254 (74/344) =======================q-point: (-0.33 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.296 ( -4.208 -2.429 4.137) 6.381 2.340 ( -8.025 -4.633 2.178) 9.519 3.101 ( -0.790 -0.456 -1.169) 1.483 3.633 ( -10.945 -6.319 1.011) 12.678 4.091 ( 7.064 4.078 -10.327) 13.160 4.299 ( -6.366 -3.675 4.157) 8.444 6.023 ( -3.424 -1.977 -1.120) 4.110 6.399 ( -5.865 -3.386 -0.154) 6.774 6.544 ( -2.557 -1.476 0.871) 3.078 7.037 ( 11.412 6.589 -3.058) 13.528 7.291 ( 4.710 2.719 4.635) 7.146 8.437 ( -0.827 -0.477 2.022) 2.236======================= Grid point 255 (75/344) =======================q-point: (-0.27 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.109 ( -13.218 -7.631 3.670) 15.698 2.149 ( -10.567 -6.101 6.796) 13.967 3.077 ( -0.954 -0.551 -1.707) 2.031 3.389 ( -12.038 -6.950 5.023) 14.779 4.077 ( -12.312 -7.108 -0.487) 14.225 4.243 ( 7.944 4.587 -10.177) 13.701 5.920 ( -5.201 -3.003 -2.357) 6.451 6.304 ( -2.126 -1.227 -0.670) 2.544 6.490 ( -2.346 -1.354 1.713) 3.205 7.245 ( 7.189 4.150 -5.450) 9.930 7.442 ( 7.710 4.451 4.318) 9.894 8.449 ( 1.310 0.756 5.339) 5.549======================= Grid point 256 (76/344) =======================q-point: (-0.20 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.779 ( -17.134 -9.893 4.874) 20.377 1.863 ( -16.702 -9.643 7.831) 20.815 3.049 ( -1.064 -0.614 -1.837) 2.210 3.073 ( -19.075 -11.013 4.763) 22.536 3.750 ( -14.677 -8.474 -3.011) 17.213 4.415 ( 9.269 5.351 -6.697) 12.626 5.782 ( -6.117 -3.532 -3.092) 7.710 6.305 ( 2.273 1.313 -0.798) 2.744 6.459 ( -0.775 -0.447 2.088) 2.271 7.317 ( 1.187 0.686 -5.171) 5.349 7.650 ( 9.508 5.489 1.376) 11.065 8.532 ( 4.084 2.358 7.049) 8.481======================= Grid point 257 (77/344) =======================q-point: (-0.13 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.382 ( -19.504 -11.261 6.293) 23.384 1.465 ( -20.525 -11.850 8.123) 25.054 2.520 ( -30.389 -17.545 -0.895) 35.101 3.020 ( -0.999 -0.577 -1.786) 2.127 3.451 ( -11.419 -6.593 -0.321) 13.190 4.605 ( 8.693 5.019 -3.444) 10.612 5.638 ( -5.600 -3.233 -3.211) 7.220 6.384 ( 4.438 2.562 -0.862) 5.197 6.467 ( 0.766 0.442 1.998) 2.185 7.292 ( -1.631 -0.941 -4.199) 4.602 7.865 ( 9.349 5.397 0.280) 10.798 8.652 ( 4.351 2.512 5.518) 7.462======================= Grid point 258 (78/344) =======================q-point: (-0.07 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.954 ( -20.384 -11.769 8.621) 25.067 1.010 ( -21.940 -12.667 8.852) 26.836 1.747 ( -36.959 -21.339 -3.153) 42.793 2.995 ( -0.725 -0.418 -1.665) 1.863 3.223 ( -9.017 -5.206 0.735) 10.437 4.770 ( 6.518 3.763 -1.800) 7.739 5.520 ( -3.941 -2.275 -2.836) 5.362 6.475 ( 3.443 1.988 -0.738) 4.044 6.499 ( 1.390 0.802 1.669) 2.315 7.236 ( -1.868 -1.078 -6.217) 6.581 8.066 ( 8.246 4.761 0.887) 9.563 8.743 ( 2.454 1.417 3.020) 4.142======================= Grid point 261 (79/344) =======================q-point: ( 0.13 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.638 ( 0.000 24.522 9.968) 26.471 0.679 ( 0.000 19.498 17.527) 26.218 1.032 ( 0.000 33.040 22.921) 40.212 2.960 ( -0.000 0.066 -2.528) 2.529 3.046 ( -0.000 7.050 -1.783) 7.272 4.883 ( -0.000 -7.641 -0.459) 7.655 5.426 ( -0.000 1.565 -2.731) 3.148 6.526 ( 0.000 -1.706 0.313) 1.734 6.545 ( 0.000 -0.803 1.710) 1.889 6.768 ( -0.000 31.750 -41.975) 52.630 8.258 ( 0.000 -6.065 4.199) 7.377 8.811 ( 0.000 -2.851 1.473) 3.209======================= Grid point 262 (80/344) =======================q-point: ( 0.20 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.869 ( 0.294 19.489 15.957) 25.190 0.965 ( 5.905 25.118 3.714) 26.069 1.664 ( 22.860 28.571 11.925) 38.484 2.983 ( 2.681 0.816 -1.839) 3.352 3.145 ( 3.698 8.958 -1.467) 9.802 4.787 ( -2.182 -6.292 -2.780) 7.217 5.491 ( 5.134 2.274 -1.662) 5.856 6.490 ( -1.458 -2.880 0.063) 3.229 6.526 ( -1.733 -1.197 1.627) 2.661 6.979 ( 8.683 12.241 -23.367) 27.771 8.163 ( -4.320 -8.117 4.712) 10.332 8.741 ( -5.098 -2.225 -1.187) 5.688======================= Grid point 263 (81/344) =======================q-point: ( 0.27 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.175 ( 9.285 17.254 9.085) 21.598 1.322 ( 8.399 21.822 -0.554) 23.389 2.304 ( 20.691 21.559 0.220) 29.882 3.038 ( 1.618 3.191 -0.713) 3.648 3.359 ( 11.209 9.462 2.598) 14.896 4.676 ( -2.749 -6.349 -1.282) 7.037 5.617 ( 6.496 3.838 -0.221) 7.548 6.422 ( -2.505 -4.194 -0.205) 4.889 6.481 ( -2.790 -0.016 1.075) 2.990 7.156 ( 8.420 5.594 -11.488) 15.303 7.996 ( -7.185 -8.834 4.865) 12.383 8.595 ( -7.848 -2.940 -5.036) 9.777======================= Grid point 264 (82/344) =======================q-point: ( 0.33 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.540 ( 12.566 14.733 3.093) 19.609 1.658 ( 9.359 17.497 -3.296) 20.115 2.770 ( 15.653 14.987 -7.513) 22.937 3.089 ( 0.124 4.539 -0.495) 4.567 3.699 ( 14.853 9.586 6.709) 18.908 4.570 ( -2.635 -6.346 2.427) 7.287 5.776 ( 6.709 5.171 1.103) 8.542 6.338 ( -2.316 -3.567 -0.153) 4.255 6.450 ( -2.006 1.999 0.002) 2.832 7.284 ( 5.210 1.187 -5.842) 7.917 7.784 ( -9.504 -8.843 4.602) 13.774 8.415 ( -6.678 -2.658 -7.503) 10.390======================= Grid point 265 (83/344) =======================q-point: ( 0.40 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.873 ( 11.275 10.984 -2.785) 15.985 1.960 ( 9.422 14.399 -2.544) 17.394 3.102 ( 9.007 8.643 -5.902) 13.808 3.137 ( 3.281 7.717 -1.891) 8.596 4.023 ( 10.888 6.529 4.760) 13.559 4.481 ( -2.436 -6.173 6.581) 9.346 5.938 ( 5.298 5.707 2.326) 8.127 6.295 ( 0.499 -1.188 -0.506) 1.384 6.456 ( -0.383 3.732 -0.951) 3.870 7.301 ( -0.344 -2.317 -5.203) 5.706 7.527 ( -12.458 -8.384 3.237) 15.361 8.314 ( -0.259 -1.059 -5.566) 5.672======================= Grid point 266 (84/344) =======================q-point: ( 0.47 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.106 ( 7.921 6.561 -5.096) 11.479 2.233 ( 7.501 12.709 -1.707) 14.856 3.148 ( -0.890 3.139 0.471) 3.297 3.405 ( 10.631 11.121 -6.817) 16.827 4.208 ( 5.180 2.267 1.501) 5.850 4.399 ( -3.333 -6.277 9.534) 11.892 6.067 ( 2.239 5.692 2.859) 6.751 6.331 ( 4.018 1.089 -1.316) 4.366 6.502 ( 1.394 4.330 -1.377) 4.753 7.199 ( -7.909 -6.048 -6.306) 11.785 7.263 ( -8.214 -3.730 3.058) 9.525 8.335 ( 4.068 -0.715 -2.278) 4.717======================= Grid point 267 (85/344) =======================q-point: ( 0.53 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.245 ( 4.694 3.470 -3.832) 6.983 2.432 ( 3.051 10.498 -1.642) 11.055 3.156 ( -1.463 2.141 0.952) 2.763 3.640 ( 8.205 9.356 -9.367) 15.576 4.221 ( -4.724 -4.073 -2.201) 6.615 4.348 ( 1.166 -2.970 13.630) 13.998 6.138 ( -1.179 5.499 2.206) 6.041 6.431 ( 6.316 1.640 -1.701) 6.743 6.569 ( 2.016 3.865 -0.925) 4.456 6.944 ( -11.018 -5.255 -1.857) 12.347 7.184 ( -1.726 -0.481 0.367) 1.829 8.391 ( 4.009 -1.757 -0.971) 4.483======================= Grid point 268 (86/344) =======================q-point: (-0.40 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.313 ( 1.908 1.015 -1.704) 2.752 2.523 ( -2.589 7.578 -0.404) 8.018 3.147 ( -1.839 1.592 0.574) 2.499 3.796 ( 4.937 6.008 -14.456) 16.415 4.043 ( -7.681 -5.985 1.154) 9.806 4.397 ( 0.753 -1.396 12.008) 12.112 6.148 ( -3.892 4.437 1.004) 5.987 6.526 ( 3.210 -1.621 -0.206) 3.602 6.628 ( -0.733 1.907 -0.198) 2.052 6.772 ( -2.166 1.840 -2.173) 3.578 7.187 ( 1.121 1.060 2.269) 2.744 8.419 ( 2.359 -3.088 -0.602) 3.932======================= Grid point 269 (87/344) =======================q-point: (-0.33 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.319 ( -0.865 -1.684 0.764) 2.041 2.484 ( -8.724 3.391 1.830) 9.537 3.133 ( -1.970 2.136 -0.433) 2.938 3.739 ( -7.900 -3.695 -7.614) 11.577 3.991 ( 4.484 1.950 -4.826) 6.870 4.386 ( -4.461 -2.173 8.459) 9.807 6.101 ( -5.726 2.282 -0.232) 6.168 6.464 ( -5.445 -4.018 0.300) 6.774 6.584 ( -2.675 0.557 0.077) 2.734 6.920 ( 9.501 7.636 -2.446) 12.433 7.252 ( 3.749 1.586 3.772) 5.549 8.415 ( 1.488 -3.686 0.510) 4.007======================= Grid point 270 (88/344) =======================q-point: (-0.27 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.246 ( -5.353 -4.323 2.985) 7.500 2.306 ( -14.228 -1.924 3.861) 14.868 3.120 ( -2.568 3.341 -1.257) 4.397 3.531 ( -9.867 -4.626 -0.106) 10.898 4.104 ( 7.519 2.933 -7.131) 10.770 4.238 ( -11.335 -4.417 2.415) 12.403 6.002 ( -6.895 0.039 -1.307) 7.018 6.344 ( -4.451 -1.924 -0.408) 4.867 6.540 ( -3.462 0.723 1.065) 3.693 7.144 ( 8.852 6.396 -4.667) 11.876 7.365 ( 6.440 1.730 4.390) 7.983 8.420 ( 2.717 -2.706 2.983) 4.858======================= Grid point 271 (89/344) =======================q-point: (-0.20 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.999 ( -18.046 -7.546 5.600) 20.346 2.067 ( -12.023 -4.657 3.706) 13.415 3.097 ( -3.695 3.292 -2.049) 5.357 3.300 ( -14.065 -4.976 3.735) 15.380 3.931 ( -16.833 -6.880 -0.950) 18.210 4.270 ( 10.092 3.493 -6.462) 12.483 5.868 ( -7.641 -1.101 -2.057) 7.990 6.292 ( -0.274 0.219 -0.628) 0.719 6.497 ( -2.845 0.910 1.584) 3.381 7.276 ( 3.428 2.662 -5.839) 7.275 7.534 ( 9.558 2.663 2.816) 10.314 8.482 ( 5.172 -0.720 4.904) 7.164======================= Grid point 272 (90/344) =======================q-point: (-0.13 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.600 ( -20.367 -10.978 6.508) 24.035 1.779 ( -18.531 -3.512 3.962) 19.273 2.891 ( -25.877 -8.037 0.076) 27.097 3.073 ( -5.155 2.941 -0.449) 5.952 3.595 ( -13.724 -5.899 -0.994) 14.971 4.468 ( 10.746 3.371 -3.385) 11.760 5.720 ( -7.572 -1.024 -2.321) 7.986 6.331 ( 3.671 1.483 -0.668) 4.015 6.477 ( -0.965 0.618 1.667) 2.023 7.293 ( -0.553 0.494 -5.154) 5.207 7.738 ( 10.520 2.757 1.263) 10.949 8.594 ( 6.093 0.113 3.959) 7.267======================= Grid point 273 (91/344) =======================q-point: (-0.07 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.159 ( -21.092 -11.343 7.744) 25.170 1.406 ( -23.387 -2.722 3.077) 23.745 2.259 ( -37.985 -6.850 0.125) 38.598 3.027 ( -3.083 1.714 -1.200) 3.726 3.348 ( -10.669 -3.473 -0.049) 11.220 4.660 ( 9.225 2.401 -1.602) 9.666 5.589 ( -6.350 0.069 -1.960) 6.646 6.419 ( 4.768 1.365 -0.701) 5.009 6.485 ( 0.904 -0.106 1.539) 1.788 7.252 ( -2.656 0.416 -6.186) 6.745 7.943 ( 10.409 1.967 1.591) 10.712 8.694 ( 4.848 -0.767 1.318) 5.083======================= Grid point 277 (92/344) =======================q-point: ( 0.20 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.155 ( 0.000 19.779 11.925) 23.096 1.168 ( 0.000 24.073 7.893) 25.334 1.823 ( 0.000 36.546 10.485) 38.021 2.949 ( -0.000 0.646 -3.161) 3.226 3.215 ( -0.000 10.925 -1.259) 10.997 4.724 ( -0.000 -7.920 -3.322) 8.589 5.464 ( -0.000 4.285 -2.944) 5.199 6.467 ( -0.000 -4.334 -0.020) 4.334 6.533 ( 0.000 -1.408 1.865) 2.337 6.966 ( -0.000 12.354 -19.579) 23.150 8.122 ( 0.000 -10.288 4.556) 11.252 8.762 ( -0.000 -2.678 -1.315) 2.983======================= Grid point 278 (93/344) =======================q-point: ( 0.27 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.357 ( -0.911 20.973 12.441) 24.403 1.449 ( 3.085 21.968 2.326) 22.305 2.289 ( 10.167 30.091 1.598) 31.803 3.000 ( 5.257 2.214 -1.728) 5.961 3.347 ( 3.314 12.009 0.754) 12.480 4.626 ( -0.820 -8.424 -2.194) 8.744 5.552 ( 5.228 5.345 -1.823) 7.695 6.410 ( -1.332 -4.878 -0.114) 5.058 6.515 ( -1.125 -0.814 1.512) 2.053 7.063 ( 5.062 7.356 -12.727) 15.547 8.001 ( -3.349 -11.023 4.282) 12.290 8.677 ( -5.828 -3.040 -3.183) 7.304======================= Grid point 279 (94/344) =======================q-point: ( 0.33 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.616 ( 2.777 20.743 9.828) 23.121 1.707 ( 4.920 17.781 -1.763) 18.533 2.694 ( 10.251 20.217 -7.272) 23.805 3.115 ( 3.262 4.975 -1.632) 6.169 3.598 ( 10.869 12.642 5.555) 17.573 4.527 ( -0.707 -8.527 0.745) 8.589 5.715 ( 7.164 6.557 -0.076) 9.712 6.334 ( -1.969 -4.196 -0.354) 4.649 6.500 ( -1.172 1.295 0.731) 1.894 7.177 ( 6.049 2.087 -7.668) 9.987 7.831 ( -5.696 -10.635 4.150) 12.758 8.505 ( -8.752 -2.944 -5.368) 10.680======================= Grid point 280 (95/344) =======================q-point: ( 0.40 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.869 ( 4.184 14.640 1.253) 15.278 1.977 ( 7.056 17.824 1.033) 19.197 3.013 ( 10.681 14.574 -7.602) 19.602 3.188 ( 0.453 6.001 -1.807) 6.283 3.924 ( 10.982 9.665 4.472) 15.297 4.446 ( -0.173 -8.232 4.292) 9.285 5.907 ( 6.790 7.485 1.710) 10.250 6.276 ( -0.624 -2.150 -1.004) 2.453 6.509 ( -0.791 3.909 -0.218) 3.994 7.235 ( 3.057 -2.439 -6.051) 7.205 7.630 ( -8.213 -9.338 3.940) 13.045 8.331 ( -5.779 -2.061 -5.362) 8.148======================= Grid point 281 (96/344) =======================q-point: ( 0.47 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.059 ( 5.091 9.167 -2.426) 10.762 2.270 ( 5.956 17.707 1.476) 18.740 3.198 ( 0.154 5.062 -2.158) 5.504 3.341 ( 9.178 13.076 -3.970) 16.462 4.142 ( 6.116 3.631 1.133) 7.202 4.383 ( -0.442 -7.612 6.373) 9.937 6.085 ( 4.516 7.393 3.266) 9.258 6.277 ( 2.476 0.489 -2.251) 3.382 6.544 ( -0.462 5.473 -0.879) 5.563 7.195 ( -1.305 -4.502 -6.546) 8.051 7.400 ( -10.552 -6.463 3.207) 12.783 8.262 ( 1.147 -1.962 -2.548) 3.414======================= Grid point 282 (97/344) =======================q-point: ( 0.53 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.203 ( 4.153 5.747 -2.552) 7.536 2.514 ( 2.788 16.169 0.397) 16.412 3.218 ( -1.937 3.727 0.119) 4.202 3.597 ( 7.238 11.922 -5.459) 14.978 4.222 ( 0.675 -0.622 -2.403) 2.572 4.314 ( 0.386 -7.991 9.456) 12.386 6.212 ( 1.304 6.503 2.961) 7.263 6.350 ( 4.785 2.669 -2.415) 5.988 6.587 ( 0.051 4.457 -0.832) 4.535 7.056 ( -7.961 -4.180 -4.721) 10.156 7.229 ( -4.711 -1.515 1.933) 5.312 8.287 ( 4.453 -3.364 -0.741) 5.630======================= Grid point 283 (98/344) =======================q-point: ( 0.60 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.291 ( 2.055 2.978 -1.894) 4.084 2.670 ( -2.079 13.822 0.249) 13.980 3.211 ( -2.696 2.835 1.000) 4.038 3.763 ( 3.103 8.719 -9.635) 13.360 4.098 ( -6.652 -6.465 -3.102) 9.781 4.365 ( 5.117 -3.228 11.806) 13.266 6.269 ( -2.663 5.789 1.090) 6.464 6.452 ( 4.452 1.744 -0.903) 4.866 6.629 ( 1.586 1.513 -0.102) 2.194 6.879 ( -8.181 1.430 -2.393) 8.642 7.197 ( -0.365 0.913 1.490) 1.785 8.319 ( 4.180 -5.094 -0.533) 6.611======================= Grid point 284 (99/344) =======================q-point: (-0.33 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.318 ( -0.255 0.349 -0.855) 0.958 2.699 ( -8.517 9.292 1.622) 12.709 3.198 ( -2.379 3.402 0.597) 4.194 3.783 ( -4.072 0.632 -13.392) 14.012 3.957 ( -0.780 -2.286 0.150) 2.420 4.434 ( 0.701 -1.638 9.987) 10.145 6.237 ( -6.386 3.278 -0.088) 7.179 6.486 ( -0.901 -2.363 0.254) 2.542 6.642 ( -1.627 1.329 0.415) 2.141 6.873 ( 3.012 8.371 -2.241) 9.175 7.227 ( 1.805 1.257 2.475) 3.311 8.325 ( 3.335 -6.089 -0.316) 6.950======================= Grid point 285 (100/344) =======================q-point: (-0.27 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.284 ( -2.900 -2.107 0.455) 3.613 2.568 ( -14.730 2.824 3.100) 15.315 3.205 ( -2.335 5.606 -0.070) 6.073 3.618 ( -7.117 -4.487 -6.284) 10.501 4.002 ( 4.946 1.958 -3.707) 6.484 4.388 ( -7.506 -2.099 5.840) 9.739 6.132 ( -7.832 0.649 -0.410) 7.870 6.404 ( -4.734 -2.118 -0.263) 5.193 6.625 ( -3.674 3.300 0.836) 5.008 7.052 ( 8.104 7.564 -3.593) 11.653 7.295 ( 4.248 0.341 3.404) 5.454 8.327 ( 4.044 -5.357 0.909) 6.773======================= Grid point 286 (101/344) =======================q-point: (-0.20 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.174 ( -7.600 -4.357 2.031) 8.992 2.297 ( -18.359 -1.222 2.849) 18.619 3.210 ( -4.388 6.173 -1.052) 7.646 3.440 ( -7.658 -4.628 -1.215) 9.030 4.125 ( 8.323 2.529 -3.471) 9.366 4.170 ( -16.213 -3.454 2.020) 16.699 5.996 ( -8.287 -0.103 -0.379) 8.296 6.317 ( -3.154 -0.597 -0.735) 3.293 6.583 ( -4.804 2.391 0.889) 5.439 7.221 ( 5.375 4.839 -5.519) 9.098 7.406 ( 7.989 -0.131 3.661) 8.789 8.376 ( 6.194 -3.195 2.037) 7.262======================= Grid point 287 (102/344) =======================q-point: (-0.13 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.888 ( -20.377 -6.049 4.444) 21.715 2.024 ( -13.754 -1.412 0.193) 13.828 3.142 ( -10.055 2.364 -4.083) 11.107 3.247 ( -10.674 -2.377 1.984) 11.114 3.827 ( -19.230 -2.799 0.572) 19.441 4.306 ( 10.619 2.621 -0.846) 10.971 5.852 ( -8.647 0.239 -0.332) 8.657 6.296 ( 1.017 0.382 -0.750) 1.320 6.526 ( -3.660 0.657 0.782) 3.800 7.289 ( 1.036 2.212 -4.287) 4.934 7.578 ( 10.731 0.377 1.976) 10.918 8.475 ( 7.460 -1.905 0.897) 7.752======================= Grid point 288 (103/344) =======================q-point: (-0.07 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.482 ( -22.731 -3.481 4.041) 23.349 1.739 ( -18.715 -2.021 -1.167) 18.860 2.795 ( -27.890 -0.398 -3.195) 28.075 3.117 ( -5.790 0.234 0.750) 5.843 3.537 ( -14.202 0.839 1.289) 14.285 4.510 ( 10.464 1.804 0.766) 10.646 5.716 ( -7.990 1.264 -0.018) 8.089 6.346 ( 4.283 0.317 -0.557) 4.331 6.485 ( -1.232 -0.834 0.614) 1.610 7.289 ( -1.813 2.093 -3.700) 4.621 7.772 ( 11.331 -0.258 1.892) 11.491 8.576 ( 6.804 -2.519 -2.079) 7.547======================= Grid point 293 (104/344) =======================q-point: ( 0.27 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.581 ( 0.000 18.036 6.351) 19.122 1.654 ( 0.000 21.262 5.042) 21.852 2.531 ( 0.000 31.420 -0.132) 31.420 2.950 ( -0.000 1.486 -2.637) 3.027 3.453 ( 0.000 13.962 1.649) 14.059 4.539 ( -0.000 -9.346 -1.053) 9.405 5.561 ( -0.000 7.189 -1.730) 7.394 6.373 ( -0.000 -4.844 0.295) 4.853 6.516 ( 0.000 -1.196 1.200) 1.694 7.053 ( -0.000 5.944 -10.433) 12.007 7.928 ( 0.000 -11.853 3.424) 12.338 8.687 ( -0.000 -3.596 -3.267) 4.858======================= Grid point 294 (105/344) =======================q-point: ( 0.33 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.793 ( 3.316 17.119 3.320) 17.751 1.848 ( -1.207 18.160 3.722) 18.576 2.785 ( 0.827 20.960 -6.777) 22.044 3.052 ( 7.766 4.472 -2.676) 9.353 3.639 ( 3.609 16.776 5.221) 17.936 4.447 ( -0.044 -9.405 1.536) 9.530 5.679 ( 5.060 8.239 -0.375) 9.676 6.322 ( -1.162 -3.777 0.301) 3.963 6.513 ( 0.355 -0.096 0.560) 0.670 7.096 ( 3.097 2.091 -7.446) 8.331 7.801 ( -2.478 -11.429 2.786) 12.022 8.588 ( -5.812 -3.520 -4.233) 8.006======================= Grid point 295 (106/344) =======================q-point: ( 0.40 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.966 ( 0.888 11.572 -2.575) 11.888 2.076 ( 4.621 19.409 6.500) 20.984 2.990 ( 6.407 14.508 -6.177) 17.020 3.191 ( 4.409 4.425 -4.633) 7.777 3.907 ( 6.116 15.005 4.289) 16.761 4.371 ( 0.475 -8.437 4.513) 9.580 5.871 ( 7.173 8.884 1.367) 11.500 6.271 ( -1.327 -1.829 -0.421) 2.299 6.536 ( 1.205 2.227 -0.286) 2.549 7.134 ( 3.509 -2.343 -5.685) 7.080 7.647 ( -4.202 -10.067 2.618) 11.218 8.419 ( -8.203 -2.609 -4.534) 9.729======================= Grid point 296 (107/344) =======================q-point: ( 0.47 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.083 ( 2.383 8.788 -2.062) 9.336 2.369 ( 5.440 18.842 4.574) 20.138 3.213 ( 4.520 8.566 -4.667) 10.751 3.303 ( 7.337 7.548 -1.785) 10.677 4.100 ( 3.612 5.001 0.092) 6.169 4.333 ( 0.460 -4.414 5.496) 7.064 6.080 ( 6.239 8.400 3.251) 10.957 6.250 ( 0.426 0.657 -1.989) 2.138 6.589 ( 1.139 4.452 -1.097) 4.725 7.125 ( 1.743 -4.789 -5.435) 7.451 7.481 ( -6.140 -7.809 2.343) 10.206 8.268 ( -5.038 -1.852 -2.854) 6.079======================= Grid point 297 (108/344) =======================q-point: ( 0.53 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.200 ( 2.975 6.571 -1.271) 7.324 2.638 ( 3.572 17.859 3.010) 18.459 3.278 ( -0.445 4.412 -1.856) 4.807 3.562 ( 9.984 10.494 -0.713) 14.502 4.157 ( 4.120 -3.978 2.096) 6.098 4.293 ( -3.687 -2.508 0.214) 4.464 6.234 ( 2.710 4.322 2.878) 5.857 6.307 ( 4.270 5.115 -1.901) 6.929 6.636 ( -0.603 3.902 -1.349) 4.172 7.080 ( -0.614 -2.565 -5.085) 5.729 7.314 ( -6.708 -4.098 1.860) 8.077 8.204 ( 0.441 -3.035 -0.601) 3.125======================= Grid point 298 (109/344) =======================q-point: ( 0.60 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.292 ( 1.781 4.260 -0.850) 4.695 2.843 ( -0.085 16.258 1.939) 16.374 3.289 ( -2.380 3.296 0.416) 4.087 3.780 ( 4.137 9.295 -3.481) 10.753 4.147 ( -7.976 -4.204 -5.491) 10.557 4.228 ( 8.898 -6.252 7.953) 13.473 6.312 ( 2.373 3.191 -0.682) 4.035 6.428 ( 2.983 4.963 1.049) 5.884 6.628 ( -1.388 -0.490 -0.670) 1.617 7.023 ( -5.356 4.019 -3.234) 7.436 7.222 ( -1.827 -0.309 1.260) 2.241 8.198 ( 3.200 -5.386 0.048) 6.265======================= Grid point 299 (110/344) =======================q-point: (-0.33 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.333 ( -0.267 1.921 -0.620) 2.037 2.942 ( -6.402 12.456 1.942) 14.138 3.276 ( -2.466 3.068 1.407) 4.180 3.844 ( -4.328 4.887 -9.885) 11.846 3.954 ( -3.873 -5.671 -1.330) 6.995 4.368 ( 8.242 -2.809 7.986) 11.815 6.346 ( -2.538 2.313 -1.044) 3.589 6.478 ( -0.444 0.417 0.173) 0.633 6.627 ( 3.081 -0.798 1.136) 3.380 6.986 ( -5.029 9.532 -1.891) 10.942 7.227 ( 0.500 1.087 1.167) 1.671 8.196 ( 3.741 -6.899 -0.174) 7.850======================= Grid point 300 (111/344) =======================q-point: (-0.27 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.317 ( -2.390 -0.060 -0.279) 2.407 2.859 ( -13.901 4.792 2.483) 14.912 3.296 ( -1.070 5.940 1.386) 6.193 3.675 ( -8.114 -3.734 -7.561) 11.703 3.950 ( 2.442 1.163 -1.324) 3.012 4.449 ( 0.741 -1.717 4.855) 5.203 6.262 ( -7.268 0.007 -0.082) 7.268 6.448 ( -2.506 -1.211 -0.541) 2.835 6.688 ( 1.507 1.883 0.996) 2.609 7.038 ( 0.830 9.410 -2.426) 9.754 7.253 ( 1.664 -0.323 1.867) 2.521 8.198 ( 4.425 -6.044 0.050) 7.491======================= Grid point 301 (112/344) =======================q-point: (-0.20 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.250 ( -4.836 -1.258 -0.054) 4.998 2.612 ( -18.205 -0.118 2.153) 18.332 3.338 ( -2.345 6.386 0.951) 6.869 3.495 ( -6.779 -4.078 -3.506) 8.653 4.025 ( 5.302 1.821 -0.833) 5.667 4.372 ( -8.961 -1.919 1.669) 9.315 6.132 ( -7.882 -0.184 0.810) 7.925 6.376 ( -4.332 -0.511 -0.987) 4.473 6.688 ( -3.882 1.733 0.214) 4.256 7.163 ( 5.339 6.153 -4.301) 9.212 7.297 ( 4.553 -2.349 3.102) 5.989 8.240 ( 6.002 -3.240 0.320) 6.829======================= Grid point 302 (113/344) =======================q-point: (-0.13 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.118 ( -10.095 -1.528 -0.326) 10.215 2.287 ( -18.942 -1.141 1.035) 19.005 3.316 ( -5.839 1.476 -2.033) 6.357 3.343 ( -7.482 -0.958 -0.633) 7.569 4.118 ( -10.075 -0.346 -1.761) 10.234 4.183 ( 2.013 1.774 4.325) 5.090 6.001 ( -8.269 0.434 1.482) 8.412 6.308 ( -2.561 0.218 -1.201) 2.837 6.609 ( -5.486 -0.559 -0.246) 5.520 7.271 ( 2.903 3.303 -3.957) 5.916 7.402 ( 9.770 -2.355 2.774) 10.426 8.331 ( 7.016 -1.368 -1.131) 7.237======================= Grid point 303 (114/344) =======================q-point: (-0.07 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.845 ( -20.137 0.573 -0.069) 20.145 2.002 ( -15.164 -0.413 -2.050) 15.307 3.147 ( -15.324 1.990 -5.879) 16.533 3.202 ( -6.267 -3.180 -0.017) 7.027 3.851 ( -17.541 3.888 3.032) 18.221 4.360 ( 9.937 1.611 4.484) 11.021 5.872 ( -8.445 1.265 1.757) 8.718 6.296 ( 1.198 0.172 -0.770) 1.435 6.514 ( -3.697 -1.918 -0.424) 4.187 7.316 ( 0.636 2.222 -1.865) 2.970 7.572 ( 11.676 -2.288 1.734) 12.023 8.425 ( 6.558 -1.823 -4.358) 8.082======================= Grid point 309 (115/344) =======================q-point: ( 0.33 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.922 ( 0.000 14.584 0.953) 14.615 2.027 ( 0.000 14.635 0.174) 14.636 2.979 ( -0.000 2.611 -0.897) 2.761 2.979 ( -0.000 17.599 -10.147) 20.315 3.811 ( 0.000 19.957 6.724) 21.059 4.365 ( 0.000 -8.888 4.100) 9.788 5.719 ( 0.000 9.307 0.304) 9.312 6.303 ( 0.000 -2.304 0.823) 2.446 6.504 ( -0.000 -0.444 -0.075) 0.450 7.063 ( -0.000 0.180 -6.052) 6.055 7.717 ( 0.000 -10.996 1.553) 11.105 8.590 ( -0.000 -3.777 -4.161) 5.619======================= Grid point 310 (116/344) =======================q-point: ( 0.40 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.050 ( -0.093 10.166 -3.306) 10.691 2.183 ( 4.369 13.432 1.108) 14.168 3.020 ( 2.484 7.557 -1.723) 8.139 3.134 ( 4.522 7.266 -8.706) 12.208 4.027 ( 0.697 16.054 4.594) 16.713 4.312 ( 0.341 -4.501 7.258) 8.547 5.859 ( 5.014 9.613 1.521) 10.948 6.282 ( -1.209 -0.289 0.373) 1.297 6.518 ( 1.964 0.628 -0.712) 2.181 7.049 ( 1.584 -2.927 -4.651) 5.719 7.604 ( -1.750 -9.673 0.856) 9.867 8.496 ( -5.162 -3.129 -4.051) 7.270======================= Grid point 311 (117/344) =======================q-point: ( 0.47 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.122 ( 1.116 6.857 -3.412) 7.740 2.436 ( 8.180 14.205 2.192) 16.537 3.185 ( 8.185 7.254 0.172) 10.938 3.232 ( 3.930 4.005 -6.679) 8.724 4.106 ( -0.498 -0.917 1.830) 2.107 4.361 ( -0.672 8.014 5.996) 10.031 6.063 ( 6.847 9.007 2.829) 11.662 6.265 ( -1.261 1.775 -1.048) 2.417 6.578 ( 3.540 2.399 -1.230) 4.449 7.026 ( 2.046 -5.425 -3.843) 6.956 7.481 ( -2.933 -7.859 0.589) 8.409 8.353 ( -7.079 -1.855 -2.919) 7.878======================= Grid point 312 (118/344) =======================q-point: ( 0.53 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.209 ( 2.733 5.570 -1.507) 6.384 2.721 ( 7.578 14.567 2.404) 16.595 3.300 ( 1.881 4.178 -3.835) 5.975 3.436 ( 13.362 4.852 2.283) 14.398 4.069 ( 0.478 -6.144 2.541) 6.666 4.396 ( -5.910 6.548 -0.520) 8.836 6.243 ( 2.649 4.713 3.256) 6.311 6.290 ( 3.007 5.615 -1.903) 6.647 6.654 ( 1.993 2.670 -1.699) 3.740 7.006 ( 3.448 -4.120 -3.264) 6.286 7.360 ( -3.835 -5.357 0.387) 6.600 8.224 ( -5.251 -1.480 -0.952) 5.538======================= Grid point 313 (119/344) =======================q-point: ( 0.60 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.299 ( 2.270 4.036 -0.420) 4.649 2.970 ( 4.264 14.083 2.121) 14.866 3.344 ( -0.201 3.061 -1.087) 3.254 3.724 ( 12.605 5.323 2.657) 13.939 4.042 ( 4.402 -8.090 3.477) 9.845 4.280 ( -11.147 1.985 -5.400) 12.544 6.301 ( 1.636 3.585 -1.551) 4.235 6.420 ( 3.988 4.210 2.522) 6.324 6.654 ( -2.334 -1.009 -1.543) 2.974 7.062 ( 4.323 2.810 -2.574) 5.763 7.261 ( -3.365 -2.013 0.408) 3.942 8.141 ( -2.016 -3.174 0.313) 3.773======================= Grid point 314 (120/344) =======================q-point: ( 0.67 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.352 ( 0.473 2.170 -0.147) 2.226 3.137 ( -0.951 11.931 1.657) 12.082 3.340 ( -2.205 0.945 1.069) 2.627 3.896 ( 2.005 2.904 -0.337) 3.545 4.043 ( -12.112 -0.978 -5.597) 13.379 4.157 ( 12.945 -4.873 3.898) 14.371 6.362 ( 1.820 3.198 -1.928) 4.154 6.508 ( 1.274 1.929 2.053) 3.092 6.579 ( -1.653 -3.343 -0.266) 3.739 7.139 ( -1.733 7.533 -1.693) 7.913 7.227 ( 0.522 0.122 0.499) 0.732 8.091 ( 0.811 -5.175 0.332) 5.248======================= Grid point 315 (121/344) =======================q-point: (-0.27 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.355 ( -1.580 0.624 -0.107) 1.702 3.122 ( -11.011 3.819 1.483) 11.748 3.345 ( 0.981 2.190 1.265) 2.712 3.803 ( -11.685 -0.745 -3.447) 12.205 3.931 ( 0.711 1.785 -0.918) 2.130 4.347 ( 10.009 -2.625 1.898) 10.520 6.369 ( -4.389 0.935 -0.027) 4.488 6.472 ( -2.234 -0.219 -0.972) 2.446 6.622 ( 5.792 -0.833 0.976) 5.932 7.157 ( -3.303 7.341 -1.211) 8.141 7.240 ( -0.092 -0.865 0.609) 1.062 8.079 ( 3.332 -4.045 0.151) 5.243======================= Grid point 316 (122/344) =======================q-point: (-0.20 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.315 ( -3.443 -0.029 -0.221) 3.450 2.901 ( -15.928 -1.326 0.852) 16.005 3.372 ( 0.515 -1.502 -0.248) 1.607 3.634 ( -9.727 4.237 1.089) 10.666 3.972 ( 2.827 1.257 0.571) 3.146 4.419 ( 1.118 -2.506 -1.479) 3.117 6.265 ( -7.537 0.278 1.251) 7.645 6.434 ( -2.862 0.179 -1.094) 3.070 6.702 ( 3.093 -0.696 -0.565) 3.221 7.164 ( -1.045 2.956 -2.016) 3.727 7.226 ( 1.554 -2.696 1.231) 3.346 8.130 ( 4.909 -0.104 0.142) 4.912======================= Grid point 317 (123/344) =======================q-point: (-0.13 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.239 ( -5.666 0.517 -1.185) 5.811 2.592 ( -18.160 -2.467 0.064) 18.327 3.320 ( -1.784 -5.613 -1.102) 5.992 3.545 ( -9.349 6.772 1.909) 11.700 4.063 ( 5.809 1.440 3.222) 6.797 4.335 ( -7.176 -1.551 -2.255) 7.680 6.146 ( -7.720 0.540 2.202) 8.046 6.371 ( -4.315 0.804 -1.460) 4.625 6.675 ( -3.705 -2.571 -1.164) 4.658 7.210 ( 7.035 -1.384 -2.319) 7.535 7.251 ( 3.103 -1.874 1.210) 3.822 8.228 ( 5.027 2.359 -0.933) 5.631======================= Grid point 318 (124/344) =======================q-point: (-0.07 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.116 ( -10.431 2.372 -3.555) 11.273 2.266 ( -17.595 -0.941 -0.795) 17.638 3.220 ( -3.257 -5.135 -0.187) 6.084 3.414 ( -12.981 4.264 -3.409) 14.082 4.130 ( -8.382 2.241 -0.157) 8.678 4.251 ( 5.014 1.272 7.405) 9.033 6.026 ( -7.898 0.465 2.756) 8.378 6.313 ( -2.775 1.150 -1.273) 3.262 6.563 ( -4.890 -2.905 -1.128) 5.799 7.291 ( 2.944 -0.030 -1.236) 3.193 7.345 ( 11.678 -4.484 0.278) 12.512 8.322 ( 3.913 2.042 -3.515) 5.642======================= Grid point 325 (125/344) =======================q-point: ( 0.40 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.156 ( -0.000 10.092 -2.597) 10.421 2.202 ( -0.000 5.243 -5.769) 7.796 3.040 ( 0.000 3.498 0.908) 3.614 3.156 ( -0.000 8.420 -8.455) 11.932 4.128 ( 0.000 0.039 3.629) 3.629 4.370 ( 0.000 12.560 9.437) 15.710 5.913 ( 0.000 9.414 2.113) 9.649 6.303 ( 0.000 1.933 0.599) 2.024 6.498 ( -0.000 0.305 -1.445) 1.477 6.990 ( -0.000 -4.496 -3.397) 5.635 7.530 ( -0.000 -8.408 -0.359) 8.416 8.498 ( -0.000 -3.065 -3.668) 4.780======================= Grid point 326 (126/344) =======================q-point: ( 0.47 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.163 ( -1.247 4.286 -4.794) 6.551 2.370 ( 10.647 6.966 -3.315) 13.148 3.116 ( 4.584 3.361 1.190) 5.807 3.221 ( 1.872 5.715 -5.171) 7.932 4.095 ( -0.954 -5.321 4.055) 6.757 4.529 ( -2.052 15.110 5.915) 16.356 6.052 ( 4.989 8.424 2.678) 10.150 6.317 ( -1.753 3.749 -0.431) 4.161 6.528 ( 3.334 1.115 -1.505) 3.824 6.936 ( 0.808 -6.227 -2.366) 6.710 7.443 ( -1.277 -6.705 -0.903) 6.885 8.424 ( -4.218 -2.117 -2.727) 5.450======================= Grid point 327 (127/344) =======================q-point: ( 0.53 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.203 ( 2.555 3.573 -2.356) 4.984 2.645 ( 14.131 7.406 -1.735) 16.049 3.253 ( 7.155 2.487 -1.977) 7.829 3.306 ( 4.938 3.311 1.604) 6.158 4.034 ( -1.360 -5.205 3.326) 6.325 4.593 ( -6.723 10.275 1.136) 12.332 6.234 ( 5.852 6.013 3.224) 8.989 6.324 ( -1.411 5.131 -2.031) 5.696 6.612 ( 4.681 1.987 -1.288) 5.246 6.890 ( 2.643 -6.514 -1.555) 7.200 7.356 ( -2.026 -4.671 -0.967) 5.182 8.313 ( -6.117 -0.969 -1.216) 6.312======================= Grid point 328 (128/344) =======================q-point: ( 0.60 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.284 ( 3.298 2.822 -0.576) 4.379 2.949 ( 12.318 8.206 -0.558) 14.811 3.344 ( 2.636 2.408 -2.771) 4.520 3.505 ( 14.362 -0.103 5.425) 15.353 3.972 ( -1.190 -4.510 2.030) 5.087 4.506 ( -11.961 5.254 -2.622) 13.325 6.322 ( 0.115 4.004 -1.239) 4.193 6.399 ( 3.404 3.478 2.187) 5.336 6.665 ( -0.090 -0.146 -1.587) 1.596 6.939 ( 9.080 -1.664 -0.724) 9.260 7.285 ( -2.031 -2.101 -0.729) 3.012 8.198 ( -6.113 -0.896 -0.000) 6.179======================= Grid point 329 (129/344) =======================q-point: ( 0.67 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.350 ( 1.940 1.365 -0.046) 2.373 3.184 ( 6.811 6.429 -0.140) 9.367 3.372 ( -0.756 0.179 -0.391) 0.870 3.794 ( 17.596 -0.343 3.574) 17.958 3.925 ( 0.433 -4.055 0.627) 4.126 4.301 ( -15.120 2.887 -3.135) 15.709 6.365 ( 1.090 4.028 -2.020) 4.636 6.467 ( 2.964 -1.487 2.919) 4.418 6.619 ( -3.654 -0.579 -1.125) 3.867 7.109 ( 9.210 1.875 -0.316) 9.404 7.245 ( -1.518 0.274 -0.353) 1.583 8.093 ( -4.680 -1.709 0.245) 4.988======================= Grid point 330 (130/344) =======================q-point: (-0.27 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.373 ( 0.049 0.022 0.000) 0.053 3.298 ( -5.658 2.605 0.069) 6.229 3.307 ( 2.497 -4.209 -0.070) 4.895 3.899 ( -0.488 -0.105 0.002) 0.499 4.073 ( -11.191 2.076 0.009) 11.382 4.093 ( 14.071 -0.739 -0.010) 14.091 6.412 ( 0.485 2.131 0.082) 2.187 6.509 ( 3.367 -3.223 -0.364) 4.675 6.543 ( -3.575 1.183 0.285) 3.777 7.227 ( 1.482 0.725 -0.110) 1.653 7.230 ( -0.122 -0.035 0.107) 0.166 8.031 ( -0.605 -0.286 0.000) 0.670======================= Grid point 331 (131/344) =======================q-point: (-0.20 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.356 ( -1.605 -0.446 -0.015) 1.666 3.105 ( -11.318 -5.706 -0.272) 12.678 3.326 ( 1.017 -3.292 -0.584) 3.495 3.864 ( -8.031 5.519 2.549) 10.072 3.965 ( -1.915 1.379 3.199) 3.975 4.287 ( 9.720 -2.506 -4.569) 11.029 6.390 ( -5.457 0.206 1.982) 5.810 6.467 ( -1.504 0.380 -1.466) 2.134 6.604 ( 5.837 -0.609 -0.820) 5.926 7.174 ( -2.844 -6.702 0.502) 7.298 7.226 ( -1.002 0.860 -0.709) 1.499 8.079 ( 3.535 3.975 0.155) 5.322======================= Grid point 332 (132/344) =======================q-point: (-0.13 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.315 ( -3.079 0.296 -0.554) 3.143 2.827 ( -14.194 -6.024 -0.865) 15.444 3.283 ( -0.708 -5.240 -0.151) 5.290 3.786 ( -9.775 6.942 3.659) 12.535 4.007 ( 3.557 0.622 5.476) 6.559 4.341 ( 2.026 -2.503 -6.757) 7.485 6.283 ( -7.286 -0.063 1.913) 7.533 6.441 ( -2.742 1.255 -1.182) 3.239 6.663 ( 1.663 -2.033 -1.539) 3.044 7.069 ( 1.732 -8.767 0.583) 8.955 7.220 ( 0.391 -0.227 -1.403) 1.474 8.197 ( 3.856 6.099 -0.029) 7.215======================= Grid point 333 (133/344) =======================q-point: (-0.07 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.253 ( -5.138 2.017 -2.574) 6.091 2.524 ( -15.199 -3.718 -1.509) 15.720 3.212 ( -1.771 -4.775 0.474) 5.115 3.664 ( -12.307 4.681 -1.203) 13.222 4.124 ( 6.229 0.976 9.081) 11.055 4.294 ( -2.757 -0.505 -4.160) 5.016 6.160 ( -7.304 -1.270 2.473) 7.815 6.391 ( -4.399 2.340 -1.669) 5.255 6.606 ( -3.743 -2.693 -1.135) 4.748 7.099 ( 9.891 -7.678 0.815) 12.548 7.232 ( 2.444 -0.844 -2.662) 3.711 8.306 ( 2.124 5.569 -1.251) 6.090======================= Grid point 341 (134/344) =======================q-point: ( 0.47 0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.196 ( -0.000 -0.417 -6.588) 6.601 2.292 ( -0.000 5.960 -2.791) 6.581 3.113 ( 0.000 2.980 1.240) 3.228 3.240 ( -0.000 3.975 -2.624) 4.762 4.064 ( 0.000 -5.197 4.197) 6.680 4.710 ( 0.000 13.471 4.197) 14.109 6.090 ( 0.000 6.765 2.481) 7.206 6.383 ( 0.000 6.001 -0.138) 6.002 6.497 ( -0.000 0.759 -1.940) 2.084 6.859 ( -0.000 -7.261 -1.166) 7.354 7.393 ( -0.000 -4.999 -1.600) 5.249 8.432 ( -0.000 -1.810 -2.048) 2.734======================= Grid point 342 (135/344) =======================q-point: ( 0.53 0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.182 ( 1.556 1.056 -2.921) 3.474 2.446 ( 12.067 3.477 -2.521) 12.809 3.176 ( 4.036 2.014 0.616) 4.553 3.282 ( 1.939 2.185 0.176) 2.926 4.021 ( -1.032 -4.004 3.167) 5.209 4.791 ( -4.463 8.679 0.965) 9.807 6.196 ( 4.925 4.364 1.856) 6.837 6.411 ( -2.852 5.915 -1.296) 6.693 6.550 ( 4.333 2.364 -0.589) 4.971 6.789 ( 0.924 -7.815 -0.443) 7.882 7.339 ( -1.011 -3.061 -1.599) 3.598 8.383 ( -3.460 -0.892 -0.931) 3.693======================= Grid point 343 (136/344) =======================q-point: ( 0.60 0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.242 ( 3.805 1.487 -0.401) 4.105 2.729 ( 17.605 2.876 -1.533) 17.904 3.279 ( 5.934 1.114 -2.374) 6.487 3.356 ( 5.169 0.042 5.154) 7.300 3.973 ( -1.738 -2.595 1.704) 3.558 4.732 ( -9.388 3.808 -1.815) 10.292 6.316 ( 4.384 1.284 0.258) 4.576 6.421 ( -1.376 4.410 -0.239) 4.626 6.646 ( 2.715 2.150 -0.428) 3.489 6.767 ( 6.316 -4.925 0.302) 8.015 7.294 ( -1.400 -1.054 -1.146) 2.094 8.298 ( -5.758 -0.211 -0.009) 5.761======================= Grid point 344 (137/344) =======================q-point: (-0.33 -0.53 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.313 ( 3.255 0.284 0.224) 3.275 3.030 ( 14.654 0.402 -1.506) 14.737 3.357 ( 2.939 0.935 -2.619) 4.046 3.510 ( 12.830 -2.531 5.686) 14.260 3.928 ( -1.690 -0.778 0.327) 1.889 4.557 ( -12.754 1.221 -1.830) 12.943 6.370 ( 2.180 0.828 -1.979) 3.058 6.429 ( -0.311 -1.352 2.223) 2.620 6.661 ( -1.197 0.929 -0.329) 1.550 6.926 ( 12.305 0.361 0.711) 12.331 7.267 ( -1.184 0.402 -0.514) 1.352 8.189 ( -6.834 -0.100 0.119) 6.836======================= Grid point 345 (138/344) =======================q-point: (-0.27 -0.53 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.352 ( 1.776 -1.184 0.131) 2.139 3.170 ( 6.598 -7.497 -1.500) 10.099 3.373 ( -1.546 0.521 -0.436) 1.689 3.754 ( 16.604 -3.570 -0.520) 16.992 3.920 ( 0.668 2.496 -0.001) 2.584 4.346 ( -13.148 1.749 1.707) 13.373 6.408 ( 3.060 -4.679 0.075) 5.591 6.416 ( 0.995 1.192 -0.053) 1.554 6.633 ( -3.818 2.049 0.332) 4.346 7.123 ( 9.235 -0.496 1.065) 9.309 7.248 ( -1.574 -0.158 -0.016) 1.582 8.087 ( -4.843 1.256 -0.362) 5.016======================= Grid point 346 (139/344) =======================q-point: (-0.20 -0.53 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.355 ( 0.512 -1.834 0.129) 1.909 3.112 ( -0.622 -12.935 -0.955) 12.986 3.325 ( -3.216 -0.735 -0.429) 3.327 3.892 ( 4.448 -1.816 -0.735) 4.860 4.042 ( 8.760 0.988 -4.552) 9.921 4.187 ( -8.928 3.855 5.892) 11.371 6.405 ( 2.015 -4.378 1.927) 5.191 6.459 ( 2.362 -0.546 -2.310) 3.348 6.591 ( -3.404 3.423 0.742) 4.884 7.168 ( -2.966 -6.283 1.186) 7.048 7.220 ( 0.932 -0.556 -0.133) 1.094 8.084 ( 1.232 5.166 -0.381) 5.324======================= Grid point 347 (140/344) =======================q-point: (-0.13 0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.340 ( -0.444 -1.141 0.161) 1.235 2.920 ( -6.737 -11.980 -0.418) 13.751 3.260 ( -2.028 -3.142 -0.300) 3.751 3.936 ( 1.827 0.442 0.620) 1.979 4.042 ( -5.963 1.612 5.525) 8.287 4.223 ( 5.348 0.807 -5.477) 7.697 6.367 ( -2.904 -4.054 0.669) 5.032 6.467 ( 0.407 0.306 -0.472) 0.694 6.613 ( 1.804 2.012 -0.261) 2.715 7.010 ( -5.098 -8.949 0.498) 10.312 7.213 ( -0.472 -1.329 -0.305) 1.443 8.198 ( 4.046 7.109 0.035) 8.180======================= Grid point 348 (141/344) =======================q-point: (-0.07 0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.319 ( -1.786 0.517 -0.853) 2.046 2.675 ( -9.706 -8.291 -0.875) 12.795 3.197 ( -1.425 -3.640 0.440) 3.934 3.895 ( -9.792 4.259 -3.825) 11.342 4.052 ( 5.536 -2.624 10.897) 12.501 4.273 ( 1.918 0.764 -5.548) 5.920 6.249 ( -5.606 -4.777 1.040) 7.438 6.472 ( -1.830 2.726 -1.135) 3.474 6.634 ( -1.583 0.020 -0.404) 1.634 6.899 ( 3.316 -8.149 0.325) 8.804 7.192 ( 0.198 -1.388 -1.034) 1.742 8.326 ( 2.743 6.372 -0.163) 6.939======================= Grid point 357 (142/344) =======================q-point: ( 0.53 0.53 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.164 ( -0.000 0.613 -1.276) 1.416 2.364 ( -0.000 2.625 -0.558) 2.684 3.157 ( 0.000 0.856 0.277) 0.900 3.284 ( 0.000 1.166 1.433) 1.847 4.006 ( 0.000 -2.760 2.214) 3.538 4.894 ( -0.000 4.098 -1.285) 4.295 6.184 ( 0.000 1.682 0.311) 1.710 6.507 ( -0.000 1.029 -0.287) 1.068 6.527 ( 0.000 8.609 -0.253) 8.613 6.701 ( -0.000 -8.543 0.328) 8.549 7.322 ( -0.000 -1.149 -1.559) 1.936 8.404 ( -0.000 -0.334 -0.173) 0.376======================= Grid point 358 (143/344) =======================q-point: (-0.40 -0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.200 ( 2.398 1.605 1.291) 3.161 2.486 ( 11.766 1.262 0.517) 11.845 3.191 ( 3.712 -0.459 -0.761) 3.817 3.316 ( 2.028 0.315 3.693) 4.225 3.981 ( -1.002 -1.411 0.881) 1.942 4.860 ( -4.724 -0.859 -3.611) 6.008 6.230 ( 4.724 -1.099 -1.159) 4.987 6.490 ( -2.483 1.377 0.722) 2.930 6.628 ( 2.132 -2.041 -0.260) 2.964 6.652 ( 2.995 2.219 1.333) 3.959 7.308 ( -0.922 0.671 -1.139) 1.612 8.377 ( -3.307 0.368 0.499) 3.365======================= Grid point 359 (144/344) =======================q-point: (-0.33 -0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.260 ( 2.912 -0.031 1.512) 3.281 2.744 ( 16.526 -1.281 -0.033) 16.576 3.264 ( 6.345 -0.682 -2.958) 7.034 3.379 ( 4.045 -1.307 6.761) 7.987 3.954 ( -1.491 0.296 -0.373) 1.565 4.714 ( -7.855 -3.916 -3.690) 9.521 6.288 ( 4.742 -3.330 -2.289) 6.230 6.445 ( -2.058 -2.948 1.945) 4.088 6.650 ( 3.704 -1.203 0.016) 3.894 6.784 ( 5.857 5.782 1.863) 8.439 7.298 ( -1.459 1.959 -0.666) 2.531 8.303 ( -6.101 0.623 0.544) 6.157======================= Grid point 360 (145/344) =======================q-point: (-0.27 -0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.298 ( 2.417 -2.182 0.883) 3.374 2.933 ( 10.797 -9.178 -2.140) 14.332 3.361 ( 3.892 0.891 -2.326) 4.620 3.483 ( 10.530 -3.354 4.418) 11.902 3.947 ( -0.578 2.892 -0.817) 3.061 4.525 ( -8.455 -3.937 -0.543) 9.343 6.306 ( 3.255 -5.030 -2.563) 6.516 6.402 ( 0.252 -3.109 2.101) 3.761 6.689 ( 0.267 1.007 0.905) 1.380 6.968 ( 9.070 3.201 2.258) 9.879 7.288 ( -2.187 2.032 -0.448) 3.019 8.199 ( -6.791 1.169 0.020) 6.891======================= Grid point 361 (146/344) =======================q-point: (-0.20 -0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.308 ( 1.931 -3.470 0.492) 4.001 2.929 ( 4.806 -14.938 -2.105) 15.833 3.362 ( -2.102 -1.957 0.834) 2.990 3.671 ( 13.371 -4.051 -2.747) 14.239 3.994 ( 1.689 5.351 -1.836) 5.904 4.368 ( -7.254 -1.791 3.970) 8.461 6.300 ( 3.486 -5.546 -1.894) 6.819 6.405 ( 2.385 -2.571 1.307) 3.742 6.683 ( -2.661 1.412 1.444) 3.341 7.115 ( 4.478 -0.734 3.011) 5.445 7.248 ( -3.924 0.866 -0.980) 4.136 8.135 ( -2.386 3.708 -0.337) 4.422======================= Grid point 362 (147/344) =======================q-point: (-0.13 -0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.308 ( 1.923 -3.081 0.832) 3.726 2.824 ( 1.232 -15.704 -0.123) 15.753 3.283 ( -3.739 -3.080 -0.175) 4.848 3.806 ( 9.437 -6.003 -0.846) 11.216 4.068 ( 1.534 4.864 -7.559) 9.119 4.277 ( -4.707 0.807 7.032) 8.501 6.301 ( 3.150 -5.917 -1.790) 6.938 6.429 ( 2.795 -2.215 1.147) 3.746 6.649 ( -2.380 0.436 1.464) 2.828 7.067 ( -7.608 -2.824 1.068) 8.185 7.212 ( -0.794 -0.158 0.370) 0.890 8.197 ( 3.396 6.036 -0.008) 6.925======================= Grid point 373 (148/344) =======================q-point: (-0.40 -0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.217 ( 0.000 3.535 4.103) 5.416 2.387 ( 0.000 -0.820 1.836) 2.011 3.147 ( -0.000 -1.680 -0.824) 1.872 3.314 ( 0.000 0.058 4.837) 4.837 3.983 ( -0.000 -0.160 -0.294) 0.335 4.849 ( -0.000 -6.288 -6.032) 8.713 6.159 ( -0.000 -3.323 -2.155) 3.961 6.527 ( 0.000 0.281 1.669) 1.692 6.532 ( -0.000 -8.427 0.465) 8.440 6.712 ( 0.000 9.465 1.271) 9.550 7.328 ( -0.000 2.434 -0.910) 2.599 8.416 ( 0.000 1.231 1.020) 1.599======================= Grid point 374 (149/344) =======================q-point: (-0.33 -0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.247 ( -0.506 0.783 3.747) 3.861 2.491 ( 11.374 -2.120 1.943) 11.731 3.154 ( 3.730 -2.298 -1.387) 4.595 3.344 ( 1.750 -0.745 6.927) 7.184 3.979 ( -0.771 1.559 -1.403) 2.235 4.718 ( -2.927 -10.215 -6.715) 12.570 6.153 ( 4.567 -5.259 -2.573) 7.425 6.436 ( -1.654 -6.581 1.356) 6.920 6.564 ( 3.486 -1.059 0.897) 3.752 6.819 ( 1.231 8.943 2.525) 9.374 7.347 ( -1.131 3.811 -0.742) 4.044 8.403 ( -3.788 1.753 1.044) 4.303======================= Grid point 375 (150/344) =======================q-point: (-0.27 -0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.249 ( 0.772 -2.636 2.439) 3.673 2.646 ( 11.205 -9.035 -1.593) 14.482 3.230 ( 8.090 -1.043 -2.010) 8.401 3.389 ( 2.241 -2.500 7.973) 8.652 3.987 ( -0.658 4.043 -1.638) 4.412 4.540 ( -3.020 -11.165 -4.431) 12.386 6.172 ( 5.014 -6.495 -3.062) 8.758 6.365 ( -0.282 -5.403 2.208) 5.844 6.630 ( 5.019 -1.482 0.563) 5.264 6.942 ( 2.652 7.927 3.791) 9.178 7.357 ( -2.351 4.471 -0.917) 5.134 8.331 ( -6.805 1.921 0.660) 7.102======================= Grid point 376 (151/344) =======================q-point: (-0.20 -0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.237 ( 1.575 -4.925 1.296) 5.331 2.665 ( 7.308 -16.042 -3.361) 17.946 3.350 ( 3.650 -1.729 0.399) 4.059 3.430 ( 7.661 -4.511 2.533) 9.244 4.031 ( 0.306 6.334 -1.396) 6.493 4.394 ( -1.359 -9.137 -0.655) 9.261 6.173 ( 4.033 -6.438 -3.461) 8.348 6.339 ( 1.807 -4.196 2.709) 5.312 6.681 ( 2.517 -2.766 1.026) 3.878 7.080 ( 3.543 5.964 4.525) 8.283 7.341 ( -4.361 4.124 -1.701) 6.238 8.238 ( -6.099 2.844 0.522) 6.750======================= Grid point 377 (152/344) =======================q-point: (-0.13 -0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.227 ( 3.102 -5.386 1.464) 6.385 2.598 ( 5.718 -17.449 -1.198) 18.401 3.309 ( -3.011 -4.174 1.372) 5.327 3.559 ( 11.195 -6.369 -1.033) 12.921 4.096 ( 0.224 6.555 -3.790) 7.575 4.315 ( -0.005 -5.435 2.066) 5.814 6.171 ( 4.163 -6.157 -3.230) 8.103 6.353 ( 3.105 -3.397 2.354) 5.169 6.663 ( -0.635 -4.397 1.424) 4.666 7.174 ( -1.314 4.504 4.804) 6.716 7.272 ( -6.372 2.632 -2.648) 7.386 8.219 ( -0.318 4.619 0.988) 4.734======================= Grid point 389 (153/344) =======================q-point: (-0.33 -0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.305 ( 0.000 1.087 4.390) 4.522 2.341 ( 0.000 -5.672 2.189) 6.080 3.092 ( -0.000 -2.957 -0.856) 3.078 3.344 ( 0.000 -1.478 8.639) 8.764 4.003 ( -0.000 3.420 -2.223) 4.079 4.589 ( -0.000 -15.305 -8.497) 17.506 6.045 ( -0.000 -6.658 -2.134) 6.991 6.385 ( -0.000 -6.552 0.143) 6.553 6.531 ( 0.000 -0.960 1.523) 1.800 6.906 ( 0.000 8.699 3.546) 9.394 7.400 ( -0.000 5.328 -0.813) 5.390 8.462 ( 0.000 2.788 1.029) 2.971======================= Grid point 390 (154/344) =======================q-point: (-0.27 -0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.237 ( -1.850 -4.710 2.950) 5.858 2.394 ( 7.244 -9.058 -0.897) 11.633 3.101 ( 4.570 -2.449 -0.204) 5.189 3.361 ( 1.212 -3.307 9.261) 9.908 4.037 ( -0.338 5.635 -1.783) 5.920 4.400 ( 0.226 -17.250 -7.628) 18.863 6.010 ( 4.354 -7.708 -1.755) 9.025 6.326 ( -0.392 -4.602 0.616) 4.660 6.548 ( 2.836 -1.426 0.592) 3.229 7.006 ( 0.962 7.580 4.857) 9.054 7.441 ( -1.609 6.377 -1.158) 6.678 8.457 ( -4.443 3.226 0.633) 5.527======================= Grid point 391 (155/344) =======================q-point: (-0.20 -0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.174 ( -0.173 -6.876 1.824) 7.116 2.370 ( 6.680 -16.931 -4.493) 18.748 3.190 ( 8.387 -3.135 0.841) 8.993 3.364 ( 0.837 -5.202 6.583) 8.432 4.087 ( 0.183 4.325 0.195) 4.333 4.250 ( 2.725 -12.754 -5.735) 14.247 6.013 ( 5.395 -7.871 -2.137) 9.779 6.293 ( 0.373 -2.768 1.711) 3.275 6.591 ( 3.936 -2.744 0.106) 4.799 7.116 ( 2.083 6.443 5.672) 8.833 7.458 ( -3.685 6.828 -2.010) 8.015 8.388 ( -7.226 3.509 0.734) 8.066======================= Grid point 392 (156/344) =======================q-point: (-0.13 -0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.113 ( 2.523 -9.259 0.962) 9.645 2.302 ( 7.575 -18.128 -2.366) 19.789 3.290 ( 4.475 -5.887 3.442) 8.157 3.334 ( 3.994 -6.547 1.350) 7.787 4.106 ( 4.193 -7.034 0.956) 8.244 4.228 ( 1.305 2.594 -5.483) 6.204 6.021 ( 5.024 -7.094 -2.703) 9.103 6.292 ( 1.429 -1.830 2.094) 3.127 6.605 ( 1.739 -4.999 0.544) 5.320 7.227 ( 1.958 5.123 5.307) 7.632 7.430 ( -6.801 6.781 -3.119) 10.098 8.316 ( -5.357 4.252 2.080) 7.149======================= Grid point 405 (157/344) =======================q-point: (-0.27 -0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.177 ( -0.000 -12.029 -0.499) 12.039 2.256 ( -0.000 -8.296 -0.067) 8.296 3.037 ( 0.000 -2.394 0.685) 2.490 3.330 ( 0.000 -6.938 8.985) 11.352 4.084 ( -0.000 -0.184 -0.347) 0.393 4.200 ( -0.000 -12.233 -8.196) 14.725 5.889 ( -0.000 -8.225 -0.333) 8.232 6.295 ( -0.000 -2.367 -0.192) 2.374 6.513 ( 0.000 -1.234 0.150) 1.243 7.080 ( 0.000 5.819 5.943) 8.317 7.522 ( -0.000 7.826 -1.401) 7.950 8.533 ( 0.000 4.090 -0.065) 4.090======================= Grid point 406 (158/344) =======================q-point: (-0.20 -0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.075 ( 3.674 -13.993 -1.267) 14.522 2.129 ( -1.271 -14.894 -3.813) 15.427 3.055 ( 4.104 -3.304 2.251) 5.730 3.284 ( 2.521 -10.711 5.663) 12.375 3.952 ( 2.626 -19.949 -3.080) 20.356 4.221 ( -0.124 9.997 -1.650) 10.133 5.846 ( 4.074 -8.282 0.216) 9.232 6.282 ( -0.177 -0.052 0.363) 0.407 6.518 ( 1.965 -1.406 -0.636) 2.498 7.157 ( 1.328 3.985 6.650) 7.866 7.579 ( -2.260 8.771 -1.924) 9.260 8.533 ( -4.698 4.392 -0.355) 6.442======================= Grid point 407 (159/344) =======================q-point: (-0.13 -0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.935 ( 2.469 -20.196 -5.575) 21.096 2.022 ( 5.332 -13.217 0.604) 14.265 3.098 ( 6.927 -9.554 5.329) 12.948 3.251 ( 2.919 -8.436 1.057) 8.989 3.841 ( 7.503 -17.747 -2.400) 19.417 4.310 ( -1.334 10.783 -1.592) 10.981 5.852 ( 5.515 -7.623 -0.473) 9.421 6.287 ( -0.333 1.259 1.097) 1.703 6.533 ( 1.870 -2.795 -0.622) 3.420 7.242 ( 2.580 2.675 5.659) 6.770 7.599 ( -5.008 9.134 -2.513) 10.715 8.474 ( -6.860 4.619 1.159) 8.351======================= Grid point 421 (160/344) =======================q-point: (-0.20 -0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.869 ( -0.000 -17.784 -4.440) 18.330 1.982 ( -0.000 -17.732 -4.666) 18.336 3.009 ( 0.000 -1.504 2.199) 2.664 3.101 ( -0.000 -22.196 2.376) 22.323 3.734 ( -0.000 -17.798 -1.441) 17.856 4.333 ( 0.000 11.931 1.369) 12.009 5.734 ( 0.000 -7.983 1.892) 8.204 6.296 ( 0.000 2.460 0.095) 2.461 6.492 ( -0.000 -0.408 -1.307) 1.369 7.193 ( 0.000 1.467 7.578) 7.719 7.685 ( -0.000 9.957 -1.988) 10.154 8.615 ( -0.000 4.743 -1.636) 5.017======================= Grid point 422 (161/344) =======================q-point: (-0.13 -0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.666 ( 0.411 -22.432 -7.820) 23.759 1.810 ( 3.649 -17.671 -2.600) 18.230 2.877 ( 4.182 -24.699 3.004) 25.230 3.072 ( 6.770 -4.920 -0.032) 8.369 3.592 ( 2.118 -14.725 -0.381) 14.881 4.444 ( -1.356 11.537 1.634) 11.730 5.700 ( 3.761 -7.242 1.914) 8.382 6.325 ( -0.607 3.888 0.576) 3.977 6.492 ( 0.672 -0.468 -1.574) 1.774 7.236 ( 1.722 -0.099 7.159) 7.364 7.755 ( -2.857 10.318 -2.160) 10.922 8.618 ( -4.259 4.691 -1.225) 6.453======================= Grid point 437 (162/344) =======================q-point: (-0.13 -0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.446 ( -0.000 -21.595 -7.557) 22.879 1.539 ( -0.000 -23.276 -7.726) 24.524 2.516 ( -0.000 -36.430 -0.210) 36.430 3.000 ( 0.000 -1.066 2.455) 2.676 3.449 ( -0.000 -12.534 0.198) 12.536 4.575 ( 0.000 10.811 2.955) 11.208 5.608 ( 0.000 -6.488 3.202) 7.235 6.377 ( 0.000 5.068 0.625) 5.106 6.485 ( -0.000 0.833 -2.022) 2.187 7.234 ( 0.000 -1.858 8.184) 8.392 7.876 ( -0.000 10.680 -1.950) 10.857 8.691 ( -0.000 4.332 -2.854) 5.187======================= Grid point 486 (163/344) =======================q-point: ( 0.13 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.459 ( 0.000 -0.000 24.042) 24.042 0.459 ( 0.000 -0.000 24.042) 24.042 0.770 ( 0.000 -0.000 40.805) 40.805 2.958 ( -0.000 0.000 -2.346) 2.346 2.958 ( -0.000 0.000 -2.346) 2.346 5.346 ( -0.000 0.000 -10.922) 10.922 5.415 ( -0.000 0.000 -2.089) 2.089 5.415 ( -0.000 0.000 -2.089) 2.089 6.552 ( 0.000 -0.000 1.425) 1.425 6.552 ( 0.000 -0.000 1.425) 1.425 8.330 ( 0.000 -0.000 4.792) 4.792 8.870 ( -0.000 0.000 -1.474) 1.474======================= Grid point 487 (164/344) =======================q-point: ( 0.20 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.585 ( 10.185 5.880 15.826) 19.717 0.703 ( 9.121 5.266 22.488) 24.832 1.275 ( 27.897 16.106 22.095) 39.063 2.970 ( 1.143 0.660 -2.022) 2.414 3.007 ( 5.635 3.254 -2.651) 7.026 4.881 ( -7.068 -4.081 -2.493) 8.534 5.459 ( 3.332 1.924 -1.416) 4.100 6.487 ( 25.397 14.663 -26.865) 39.771 6.528 ( -1.805 -1.042 1.114) 2.364 6.577 ( 9.009 5.201 -10.544) 14.812 8.289 ( -4.975 -2.873 5.316) 7.827 8.791 ( -5.186 -2.994 -0.047) 5.988======================= Grid point 488 (165/344) =======================q-point: ( 0.27 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.927 ( 16.052 9.267 7.138) 19.862 1.017 ( 13.459 7.771 12.582) 19.996 1.950 ( 26.826 15.488 6.074) 31.566 2.996 ( 1.597 0.922 -1.570) 2.422 3.202 ( 11.992 6.924 1.315) 13.910 4.754 ( -4.313 -2.490 -3.822) 6.278 5.554 ( 5.377 3.104 -0.747) 6.253 6.483 ( -2.350 -1.357 0.735) 2.812 6.502 ( -3.505 -2.023 1.018) 4.173 6.953 ( 16.212 9.360 -20.504) 27.764 8.151 ( -8.539 -4.930 5.804) 11.441 8.648 ( -7.233 -4.176 -3.447) 9.035======================= Grid point 489 (166/344) =======================q-point: ( 0.33 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.320 ( 17.183 9.921 2.471) 19.995 1.362 ( 14.788 8.538 3.489) 17.428 2.485 ( 20.828 12.025 -5.279) 24.623 3.031 ( 1.856 1.071 -0.997) 2.364 3.539 ( 15.954 9.211 6.890) 19.668 4.655 ( -3.820 -2.205 -0.959) 4.514 5.692 ( 6.818 3.936 0.040) 7.873 6.408 ( -4.523 -2.611 0.657) 5.263 6.436 ( -1.763 -1.018 0.181) 2.044 7.194 ( 9.433 5.446 -9.790) 14.646 7.951 ( -10.746 -6.204 5.852) 13.719 8.457 ( -7.613 -4.395 -7.082) 11.288======================= Grid point 490 (167/344) =======================q-point: ( 0.40 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.688 ( 13.863 8.004 -2.638) 16.223 1.698 ( 15.970 9.220 -0.233) 18.442 2.877 ( 16.548 9.554 -8.046) 20.733 3.071 ( 1.829 1.056 -0.329) 2.137 3.904 ( 13.479 7.782 7.012) 17.071 4.577 ( -3.505 -2.024 3.373) 5.268 5.851 ( 6.895 3.981 1.088) 8.036 6.326 ( -2.451 -1.415 0.498) 2.874 6.413 ( -0.009 -0.005 -0.668) 0.668 7.299 ( 1.828 1.055 -6.298) 6.642 7.699 ( -13.258 -7.654 4.299) 15.901 8.313 ( -2.341 -1.352 -6.571) 7.105======================= Grid point 491 (168/344) =======================q-point: ( 0.47 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.959 ( 11.176 6.452 -5.301) 13.951 2.024 ( 13.121 7.575 -1.759) 15.253 3.108 ( 1.398 0.807 0.343) 1.651 3.194 ( 13.909 8.030 -7.129) 17.572 4.154 ( 7.251 4.186 3.791) 9.191 4.512 ( -3.994 -2.306 7.365) 8.690 5.993 ( 4.963 2.865 2.196) 6.137 6.314 ( 1.407 0.812 -0.082) 1.627 6.436 ( 2.396 1.384 -1.625) 3.209 7.253 ( -3.653 -2.109 -6.866) 8.058 7.396 ( -13.681 -7.899 3.103) 16.100 8.314 ( 2.921 1.686 -2.933) 4.470======================= Grid point 492 (169/344) =======================q-point: ( 0.53 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.153 ( 7.557 4.363 -5.190) 10.152 2.269 ( 9.157 5.287 -2.326) 10.826 3.133 ( 0.551 0.318 0.837) 1.052 3.454 ( 11.218 6.477 -8.371) 15.423 4.250 ( 0.210 0.121 -0.880) 0.913 4.447 ( -3.522 -2.034 12.442) 13.090 6.079 ( 2.116 1.222 2.545) 3.528 6.385 ( 4.878 2.816 -0.927) 5.709 6.502 ( 3.541 2.045 -1.916) 4.516 7.055 ( -11.289 -6.517 -3.974) 13.627 7.210 ( -3.588 -2.072 1.515) 4.412 8.386 ( 3.305 1.908 -1.239) 4.012======================= Grid point 493 (170/344) =======================q-point: ( 0.60 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.271 ( 4.289 2.476 -3.466) 6.045 2.416 ( 4.374 2.526 -1.952) 5.415 3.136 ( -0.455 -0.263 0.880) 1.025 3.642 ( 8.230 4.752 -12.562) 15.751 4.146 ( -7.474 -4.315 -1.801) 8.816 4.458 ( -0.459 -0.265 14.618) 14.628 6.107 ( -0.169 -0.098 2.003) 2.013 6.519 ( 6.822 3.939 -0.606) 7.901 6.564 ( 2.127 1.228 -1.443) 2.848 6.813 ( -8.756 -5.055 -2.258) 10.359 7.182 ( 0.276 0.160 2.273) 2.295 8.438 ( 1.544 0.892 -0.999) 2.044======================= Grid point 494 (171/344) =======================q-point: (-0.33 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.330 ( 1.591 0.919 -0.744) 1.982 2.449 ( -1.178 -0.680 -0.642) 1.504 3.120 ( -1.112 -0.642 0.244) 1.307 3.725 ( 1.632 0.942 -15.673) 15.786 3.991 ( -3.909 -2.257 1.028) 4.630 4.462 ( -3.531 -2.039 11.920) 12.598 6.086 ( -2.146 -1.239 1.025) 2.682 6.548 ( -6.327 -3.653 0.238) 7.310 6.581 ( -0.388 -0.224 -0.673) 0.809 6.783 ( 8.639 4.988 -2.520) 10.289 7.229 ( 2.987 1.725 3.599) 4.985 8.451 ( 0.067 0.038 -0.438) 0.445======================= Grid point 495 (172/344) =======================q-point: (-0.27 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.327 ( -2.643 -1.526 2.547) 3.975 2.356 ( -7.131 -4.117 1.246) 8.328 3.092 ( -1.222 -0.706 -0.823) 1.634 3.610 ( -6.925 -3.998 -5.989) 9.990 4.018 ( 5.387 3.110 -5.277) 8.157 4.350 ( -9.292 -5.365 6.896) 12.754 6.017 ( -4.105 -2.370 -0.247) 4.747 6.396 ( -6.046 -3.491 -0.473) 6.998 6.549 ( -2.074 -1.197 0.258) 2.408 7.007 ( 10.525 6.077 -3.429) 12.628 7.331 ( 4.979 2.875 4.003) 7.005 8.454 ( 0.389 0.224 1.555) 1.619======================= Grid point 496 (173/344) =======================q-point: (-0.20 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.141 ( -12.501 -7.217 3.149) 14.774 2.205 ( -9.567 -5.523 5.166) 12.195 3.061 ( -1.153 -0.666 -1.704) 2.163 3.417 ( -10.017 -5.783 0.602) 11.583 4.084 ( -15.088 -8.711 1.896) 17.525 4.162 ( 8.714 5.031 -6.987) 12.249 5.902 ( -5.783 -3.339 -1.620) 6.871 6.298 ( -2.181 -1.259 -0.552) 2.578 6.503 ( -1.970 -1.138 1.193) 2.569 7.192 ( 6.596 3.808 -6.047) 9.725 7.478 ( 7.107 4.103 3.409) 8.886 8.493 ( 2.519 1.454 4.101) 5.028======================= Grid point 497 (174/344) =======================q-point: (-0.13 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.825 ( -16.478 -9.513 5.084) 19.694 1.930 ( -16.198 -9.352 6.660) 19.855 3.030 ( -1.086 -0.627 -2.202) 2.535 3.103 ( -19.921 -11.502 1.708) 23.067 3.732 ( -14.710 -8.493 -0.890) 17.009 4.362 ( 10.269 5.929 -4.703) 12.756 5.755 ( -6.426 -3.710 -2.687) 7.892 6.299 ( 2.212 1.277 -0.528) 2.609 6.477 ( -0.630 -0.364 1.816) 1.956 7.260 ( 1.541 0.890 -7.010) 7.232 7.666 ( 8.772 5.064 2.032) 10.331 8.586 ( 4.212 2.432 4.624) 6.711======================= Grid point 502 (175/344) =======================q-point: ( 0.20 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.748 ( 0.000 19.924 14.290) 24.518 0.842 ( 0.000 16.251 17.694) 24.025 1.270 ( 0.000 23.690 27.585) 36.361 2.933 ( -0.000 -0.074 -3.322) 3.323 3.026 ( -0.000 7.452 -2.432) 7.839 4.868 ( -0.000 -9.941 -2.944) 10.368 5.400 ( -0.000 1.360 -2.854) 3.162 6.411 ( -0.000 40.997 -34.057) 53.298 6.534 ( 0.000 -2.135 0.676) 2.240 6.561 ( 0.000 -0.703 1.842) 1.972 8.303 ( 0.000 -6.122 5.638) 8.323 8.813 ( -0.000 -3.149 -0.976) 3.297======================= Grid point 503 (176/344) =======================q-point: ( 0.27 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.996 ( 0.092 22.265 9.519) 24.215 1.052 ( 3.043 16.235 16.983) 23.691 1.772 ( 18.010 23.559 11.227) 31.708 2.963 ( 3.535 0.926 -2.409) 4.377 3.134 ( 4.652 9.668 -0.619) 10.747 4.753 ( -2.097 -5.991 -4.737) 7.920 5.474 ( 6.010 2.101 -2.051) 6.689 6.494 ( -1.521 -3.349 0.645) 3.734 6.540 ( -1.920 -1.029 1.576) 2.688 6.759 ( 12.380 19.365 -23.803) 33.089 8.211 ( -4.216 -8.429 5.802) 11.067 8.724 ( -6.015 -3.072 -2.547) 7.218======================= Grid point 504 (177/344) =======================q-point: ( 0.33 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.271 ( 5.678 18.373 10.588) 21.952 1.339 ( 6.473 17.539 5.339) 19.443 2.291 ( 17.148 18.364 -3.305) 25.342 3.027 ( 1.858 3.377 -1.818) 4.262 3.395 ( 13.484 10.300 5.343) 17.789 4.656 ( -1.560 -5.064 -3.077) 6.127 5.611 ( 7.213 3.982 -1.060) 8.307 6.422 ( -2.501 -4.490 0.256) 5.146 6.491 ( -3.177 -0.073 1.096) 3.361 7.042 ( 11.434 8.948 -13.037) 19.514 8.045 ( -7.063 -9.343 5.876) 13.104 8.547 ( -9.279 -3.426 -5.426) 11.282======================= Grid point 505 (178/344) =======================q-point: ( 0.40 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.585 ( 8.381 14.498 6.555) 17.983 1.637 ( 8.756 16.672 -1.153) 18.867 2.698 ( 15.138 14.341 -8.117) 22.377 3.079 ( 0.608 4.402 -1.497) 4.689 3.765 ( 14.913 9.003 7.293) 18.885 4.584 ( -0.881 -4.878 0.589) 4.992 5.781 ( 7.344 5.613 0.009) 9.244 6.337 ( -2.218 -3.964 0.036) 4.542 6.453 ( -2.525 1.885 0.442) 3.182 7.220 ( 6.423 2.214 -7.787) 10.334 7.831 ( -9.882 -9.415 5.321) 14.650 8.350 ( -6.916 -2.263 -6.534) 9.780======================= Grid point 506 (179/344) =======================q-point: ( 0.47 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.855 ( 8.439 10.482 -1.298) 13.519 1.948 ( 9.105 15.343 -0.063) 17.842 3.040 ( 12.647 11.396 -6.806) 18.334 3.128 ( 0.646 5.318 -0.885) 5.430 4.066 ( 9.931 5.041 4.520) 12.020 4.532 ( -0.725 -5.119 4.388) 6.781 5.955 ( 5.823 6.282 1.319) 8.666 6.290 ( 0.494 -1.901 -0.488) 2.024 6.450 ( -0.928 3.706 -0.386) 3.839 7.244 ( -0.339 -2.384 -6.996) 7.399 7.558 ( -13.144 -8.524 3.282) 16.006 8.273 ( 0.909 -0.255 -3.401) 3.530======================= Grid point 507 (180/344) =======================q-point: ( 0.53 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.065 ( 7.153 7.189 -3.685) 10.790 2.222 ( 6.690 13.351 -0.743) 14.952 3.150 ( -0.171 3.065 -0.045) 3.070 3.343 ( 9.693 11.384 -6.469) 16.291 4.220 ( 3.831 0.862 1.059) 4.067 4.480 ( -1.069 -5.675 7.993) 9.860 6.092 ( 2.263 6.012 2.461) 6.879 6.318 ( 4.072 0.297 -1.432) 4.327 6.491 ( 1.076 4.619 -1.059) 4.859 7.136 ( -6.211 -4.918 -7.125) 10.655 7.294 ( -9.414 -4.547 3.496) 11.023 8.320 ( 4.546 -0.319 -1.072) 4.682======================= Grid point 508 (181/344) =======================q-point: ( 0.60 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.211 ( 4.851 4.348 -3.653) 7.468 2.419 ( 2.734 11.180 -1.264) 11.578 3.164 ( -1.301 2.177 0.811) 2.663 3.553 ( 6.161 8.988 -9.539) 14.483 4.194 ( -4.259 -4.221 -3.193) 6.793 4.474 ( 2.017 -3.416 13.392) 13.967 6.159 ( -1.545 5.266 2.390) 5.985 6.416 ( 6.684 1.421 -1.513) 6.999 6.560 ( 2.030 4.434 -0.976) 4.974 6.918 ( -9.942 -4.902 -3.643) 11.668 7.198 ( -1.710 -0.509 2.438) 3.021 8.383 ( 3.984 -1.608 -0.838) 4.377======================= Grid point 509 (182/344) =======================q-point: (-0.33 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.294 ( 2.718 1.722 -2.540) 4.099 2.518 ( -2.256 8.598 -0.676) 8.914 3.154 ( -2.173 1.499 0.864) 2.778 3.664 ( 2.701 5.437 -14.013) 15.272 4.041 ( -5.571 -5.106 -1.058) 7.630 4.515 ( -0.061 -2.558 13.238) 13.483 6.160 ( -4.275 3.891 1.587) 5.994 6.523 ( 3.946 -1.148 -0.454) 4.134 6.626 ( -0.727 1.992 -0.212) 2.131 6.748 ( -2.286 2.013 -2.949) 4.239 7.212 ( 1.692 1.035 3.062) 3.648 8.412 ( 2.525 -2.887 -0.917) 3.943======================= Grid point 510 (183/344) =======================q-point: (-0.27 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.319 ( 0.394 -1.363 -0.809) 1.633 2.499 ( -8.006 4.673 1.293) 9.360 3.131 ( -2.525 1.945 0.083) 3.189 3.642 ( -3.263 -0.622 -12.497) 12.931 3.969 ( 1.178 -0.021 -0.816) 1.433 4.470 ( -6.408 -3.720 9.811) 12.295 6.103 ( -6.174 1.771 0.674) 6.458 6.464 ( -5.749 -4.034 -0.386) 7.034 6.583 ( -2.273 1.028 -0.274) 2.509 6.896 ( 9.066 7.322 -2.720) 11.967 7.285 ( 4.151 1.524 3.472) 5.622 8.418 ( 2.312 -3.278 0.093) 4.012======================= Grid point 511 (184/344) =======================q-point: (-0.20 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.261 ( -4.516 -4.028 0.499) 6.072 2.343 ( -13.083 -1.593 4.092) 13.800 3.109 ( -3.073 3.278 -1.006) 4.604 3.508 ( -6.474 -3.252 -5.035) 8.823 4.051 ( 6.752 3.321 -3.993) 8.518 4.274 ( -14.065 -5.950 5.322) 16.173 5.995 ( -7.504 -0.127 -0.252) 7.509 6.338 ( -4.509 -1.977 -0.695) 4.972 6.548 ( -3.124 1.004 0.577) 3.332 7.099 ( 7.844 5.756 -5.030) 10.952 7.400 ( 6.463 1.734 3.340) 7.479 8.443 ( 3.959 -2.411 2.041) 5.065======================= Grid point 512 (185/344) =======================q-point: (-0.13 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.047 ( -17.489 -5.573 4.559) 18.913 2.098 ( -10.709 -7.270 3.177) 13.328 3.076 ( -4.179 2.814 -2.353) 5.560 3.315 ( -12.342 -4.402 -0.818) 13.129 3.932 ( -18.330 -7.334 1.230) 19.781 4.226 ( 10.006 4.679 -2.844) 11.407 5.853 ( -8.342 -0.846 -1.197) 8.470 6.286 ( -0.207 0.128 -0.625) 0.670 6.510 ( -2.543 0.885 1.208) 2.951 7.218 ( 3.249 3.055 -6.637) 7.996 7.559 ( 8.915 2.353 2.515) 9.557 8.518 ( 5.900 -1.280 2.795) 6.653======================= Grid point 518 (186/344) =======================q-point: ( 0.27 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.244 ( 0.000 22.378 9.062) 24.143 1.259 ( 0.000 17.230 10.711) 20.288 1.927 ( 0.000 30.066 11.262) 32.106 2.919 ( -0.000 0.813 -3.289) 3.388 3.206 ( 0.000 11.743 -0.510) 11.754 4.689 ( -0.000 -7.176 -4.370) 8.402 5.440 ( -0.000 4.495 -2.239) 5.022 6.469 ( -0.000 -4.530 0.487) 4.557 6.549 ( 0.000 -1.526 1.504) 2.143 6.787 ( -0.000 18.519 -19.028) 26.552 8.168 ( 0.000 -10.906 5.409) 12.173 8.740 ( -0.000 -3.193 -3.493) 4.732======================= Grid point 519 (187/344) =======================q-point: ( 0.33 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.454 ( 0.928 19.283 5.927) 20.195 1.491 ( 0.643 19.378 9.590) 21.630 2.292 ( 6.442 25.677 -1.241) 26.502 2.982 ( 5.838 2.434 -2.265) 6.719 3.365 ( 4.924 13.255 3.439) 14.552 4.603 ( -0.418 -6.796 -2.807) 7.364 5.538 ( 5.671 5.716 -1.276) 8.152 6.412 ( -1.473 -4.939 0.446) 5.173 6.527 ( -1.230 -1.030 1.021) 1.901 6.946 ( 6.319 11.080 -12.342) 17.749 8.044 ( -3.167 -11.848 4.955) 13.227 8.638 ( -6.426 -3.307 -5.066) 8.826======================= Grid point 520 (188/344) =======================q-point: ( 0.40 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.691 ( 2.685 15.902 -0.350) 16.131 1.714 ( 2.820 19.803 10.075) 22.397 2.623 ( 9.392 19.388 -8.031) 22.991 3.093 ( 3.373 4.454 -3.056) 6.368 3.656 ( 11.398 12.442 6.803) 18.194 4.531 ( 0.154 -6.625 0.103) 6.627 5.714 ( 7.630 7.161 -0.155) 10.465 6.334 ( -2.186 -4.343 0.224) 4.868 6.505 ( -1.359 0.965 0.388) 1.712 7.106 ( 6.869 3.682 -7.647) 10.919 7.871 ( -5.372 -11.494 4.687) 13.525 8.451 ( -9.276 -2.615 -6.219) 11.470======================= Grid point 521 (189/344) =======================q-point: ( 0.47 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.871 ( 3.460 12.186 -0.645) 12.684 2.007 ( 5.401 19.586 5.156) 20.961 2.947 ( 11.142 15.540 -6.839) 20.307 3.168 ( 1.334 5.738 -2.477) 6.390 3.964 ( 10.103 7.747 3.988) 13.341 4.480 ( 0.761 -6.746 3.167) 7.491 5.919 ( 7.266 8.311 0.964) 11.081 6.270 ( -0.979 -2.637 -0.314) 2.830 6.507 ( -0.957 3.515 -0.235) 3.650 7.178 ( 2.908 -2.009 -6.381) 7.294 7.666 ( -8.411 -9.998 3.747) 13.592 8.285 ( -5.002 -1.191 -4.551) 6.866======================= Grid point 522 (190/344) =======================q-point: ( 0.53 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.041 ( 4.498 9.207 -1.568) 10.366 2.290 ( 4.472 18.405 2.938) 19.167 3.175 ( 2.353 5.760 -2.777) 6.814 3.307 ( 7.586 13.541 -3.462) 15.903 4.152 ( 5.848 2.168 1.055) 6.326 4.435 ( 0.374 -7.614 4.720) 8.966 6.112 ( 4.859 8.370 2.334) 9.956 6.259 ( 2.056 -0.421 -1.605) 2.642 6.537 ( -0.504 5.211 -0.617) 5.271 7.135 ( -1.629 -4.106 -6.494) 7.854 7.426 ( -10.461 -6.708 2.619) 12.700 8.244 ( 2.014 -1.399 -1.307) 2.779======================= Grid point 523 (191/344) =======================q-point: ( 0.60 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.183 ( 3.691 6.444 -1.848) 7.653 2.522 ( 1.712 16.803 1.365) 16.945 3.218 ( -1.091 3.855 -0.085) 4.008 3.543 ( 5.197 12.612 -6.150) 14.963 4.198 ( -1.389 -2.539 -2.901) 4.098 4.400 ( 4.065 -7.566 8.951) 12.405 6.238 ( 0.760 5.898 2.566) 6.477 6.329 ( 5.175 3.156 -2.089) 6.411 6.581 ( 0.214 4.508 -0.470) 4.538 7.010 ( -6.701 -3.203 -5.281) 9.113 7.251 ( -5.179 -2.131 2.632) 6.188 8.282 ( 4.454 -3.129 -0.308) 5.452======================= Grid point 524 (192/344) =======================q-point: ( 0.67 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.274 ( 1.882 3.743 -1.869) 4.588 2.674 ( -2.446 14.646 0.785) 14.869 3.221 ( -2.559 2.977 1.134) 4.086 3.670 ( 0.440 8.836 -10.388) 13.645 4.068 ( -5.167 -6.177 -3.160) 8.651 4.473 ( 5.782 -4.534 11.335) 13.509 6.279 ( -2.729 4.693 1.107) 5.540 6.445 ( 4.696 2.533 -0.728) 5.385 6.629 ( 1.714 1.858 0.135) 2.531 6.853 ( -7.745 1.920 -3.119) 8.568 7.214 ( -0.077 0.519 2.267) 2.327 8.314 ( 3.986 -4.915 -0.622) 6.359======================= Grid point 525 (193/344) =======================q-point: (-0.27 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.307 ( -0.006 0.980 -1.489) 1.783 2.715 ( -8.159 10.274 1.657) 13.224 3.206 ( -2.847 3.419 1.206) 4.609 3.661 ( -3.612 2.319 -12.932) 13.626 3.957 ( -0.978 -2.632 -0.155) 2.812 4.524 ( 0.134 -3.596 9.400) 10.066 6.240 ( -6.352 2.651 0.715) 6.921 6.485 ( -0.877 -2.435 -0.514) 2.638 6.646 ( -1.851 2.036 0.333) 2.772 6.851 ( 2.894 8.365 -2.579) 9.219 7.250 ( 2.340 0.928 2.478) 3.532 8.321 ( 3.572 -5.810 -0.523) 6.840======================= Grid point 526 (194/344) =======================q-point: (-0.20 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.282 ( -2.339 -1.729 -0.819) 3.022 2.597 ( -14.260 3.035 3.263) 14.940 3.207 ( -3.012 5.882 0.519) 6.628 3.549 ( -4.784 -2.317 -8.535) 10.055 3.980 ( 3.829 1.770 -1.199) 4.385 4.442 ( -8.520 -4.077 5.921) 11.148 6.134 ( -7.982 0.606 0.913) 8.057 6.397 ( -4.834 -2.239 -1.166) 5.454 6.631 ( -3.674 3.530 0.444) 5.114 7.017 ( 7.214 7.122 -4.029) 10.909 7.323 ( 4.715 0.258 2.731) 5.455 8.333 ( 4.752 -5.208 0.431) 7.063======================= Grid point 527 (195/344) =======================q-point: (-0.13 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.183 ( -6.255 -4.101 -0.072) 7.480 2.329 ( -18.584 -2.358 4.129) 19.183 3.199 ( -5.512 6.104 -1.132) 8.302 3.414 ( -5.754 -3.523 -4.288) 7.994 4.097 ( 5.742 2.800 -2.105) 6.726 4.202 ( -14.705 -3.676 4.517) 15.816 5.999 ( -8.807 0.283 0.990) 8.867 6.307 ( -3.017 -0.700 -1.422) 3.408 6.589 ( -4.600 2.188 0.467) 5.115 7.169 ( 5.016 5.023 -5.809) 9.173 7.436 ( 7.757 -0.079 2.840) 8.261 8.388 ( 6.685 -3.888 0.694) 7.764======================= Grid point 534 (196/344) =======================q-point: ( 0.33 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.629 ( 0.000 15.914 4.032) 16.416 1.698 ( 0.000 19.246 4.745) 19.822 2.513 ( -0.000 26.427 -4.186) 26.757 2.929 ( -0.000 2.012 -1.925) 2.785 3.482 ( 0.000 15.835 4.981) 16.600 4.532 ( -0.000 -7.236 -0.704) 7.270 5.550 ( 0.000 7.716 -0.554) 7.736 6.379 ( 0.000 -4.742 0.806) 4.810 6.524 ( 0.000 -1.519 0.526) 1.608 6.962 ( -0.000 8.694 -9.183) 12.646 7.961 ( 0.000 -12.869 3.829) 13.427 8.645 ( -0.000 -3.549 -5.721) 6.732======================= Grid point 535 (197/344) =======================q-point: ( 0.40 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.800 ( 1.504 14.597 -0.958) 14.706 1.893 ( 1.480 16.731 5.196) 17.582 2.716 ( 0.719 20.446 -8.166) 22.028 3.024 ( 6.877 3.315 -3.114) 8.245 3.697 ( 3.685 17.310 7.331) 19.156 4.464 ( 0.089 -7.082 2.071) 7.379 5.679 ( 5.279 8.861 0.491) 10.326 6.326 ( -1.431 -3.776 0.743) 4.106 6.515 ( 0.308 -0.474 -0.115) 0.577 7.033 ( 3.382 3.568 -6.010) 7.764 7.827 ( -2.177 -12.477 3.004) 13.017 8.540 ( -5.985 -3.056 -6.250) 9.177======================= Grid point 536 (198/344) =======================q-point: ( 0.47 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.938 ( 1.575 10.924 -3.201) 11.491 2.133 ( 4.866 17.638 5.698) 19.164 2.934 ( 6.526 16.538 -5.984) 18.759 3.149 ( 5.255 3.605 -4.167) 7.615 3.946 ( 4.645 13.058 4.125) 14.461 4.413 ( 0.540 -6.357 4.626) 7.881 5.884 ( 7.448 9.605 1.350) 12.229 6.270 ( -1.759 -2.144 0.206) 2.781 6.532 ( 1.105 1.842 -0.731) 2.269 7.086 ( 3.298 -1.702 -4.558) 5.878 7.671 ( -3.755 -11.075 2.541) 11.967 8.373 ( -7.893 -1.657 -5.371) 9.690======================= Grid point 537 (199/344) =======================q-point: ( 0.53 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.064 ( 2.998 8.786 -1.933) 9.482 2.411 ( 5.089 18.045 4.545) 19.291 3.171 ( 4.992 9.215 -4.364) 11.352 3.288 ( 8.115 8.888 -1.481) 12.126 4.101 ( 3.185 4.244 0.278) 5.314 4.379 ( -0.402 -4.985 4.447) 6.692 6.106 ( 6.779 9.436 2.090) 11.806 6.237 ( -0.340 -0.216 -0.748) 0.850 6.579 ( 1.145 4.081 -1.116) 4.383 7.079 ( 1.187 -4.172 -4.587) 6.313 7.500 ( -5.962 -8.596 1.782) 10.612 8.243 ( -4.058 -0.960 -2.524) 4.874======================= Grid point 538 (200/344) =======================q-point: ( 0.60 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.190 ( 3.062 6.893 -0.885) 7.594 2.667 ( 2.972 17.600 3.408) 18.171 3.261 ( 0.808 4.706 -1.760) 5.089 3.551 ( 8.323 12.342 -1.514) 14.963 4.166 ( 3.424 -1.246 -0.006) 3.644 4.304 ( -2.517 -7.283 1.992) 7.959 6.248 ( 1.614 1.546 0.095) 2.237 6.301 ( 5.072 7.947 0.769) 9.458 6.625 ( -0.321 3.612 -0.947) 3.747 7.036 ( -0.850 -1.636 -4.454) 4.821 7.329 ( -6.349 -4.650 1.489) 8.010 8.200 ( 0.893 -2.632 -0.255) 2.791======================= Grid point 539 (201/344) =======================q-point: ( 0.67 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.285 ( 1.581 4.663 -0.632) 4.964 2.864 ( -0.574 16.341 2.588) 16.555 3.293 ( -1.559 3.601 0.502) 3.956 3.740 ( 1.040 10.872 -5.237) 12.112 4.097 ( -7.150 -4.721 -5.062) 9.951 4.302 ( 10.256 -7.761 7.965) 15.128 6.304 ( 2.604 2.182 -0.869) 3.506 6.438 ( 2.312 5.842 0.965) 6.357 6.625 ( -0.732 -0.488 0.002) 0.880 6.993 ( -4.779 4.901 -3.231) 7.570 7.235 ( -1.835 -0.862 1.528) 2.539 8.198 ( 2.997 -5.192 0.035) 5.995======================= Grid point 540 (202/344) =======================q-point: (-0.27 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.327 ( -0.434 2.344 -0.665) 2.475 2.963 ( -6.383 12.707 2.485) 14.436 3.291 ( -2.395 3.242 1.869) 4.443 3.750 ( -6.973 5.358 -10.315) 13.555 3.945 ( -1.827 -4.193 -0.784) 4.640 4.436 ( 8.401 -5.019 6.803) 11.919 6.340 ( -1.893 1.944 -0.230) 2.723 6.476 ( -0.903 0.187 -0.696) 1.156 6.638 ( 3.089 -0.344 1.219) 3.339 6.968 ( -5.067 9.978 -2.038) 11.375 7.239 ( 0.852 0.654 1.289) 1.678 8.194 ( 3.574 -6.673 -0.225) 7.573======================= Grid point 541 (203/344) =======================q-point: (-0.20 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.313 ( -2.408 0.274 -0.632) 2.505 2.884 ( -13.683 4.471 2.859) 14.676 3.312 ( -1.315 6.072 2.185) 6.586 3.605 ( -7.595 -0.478 -7.685) 10.816 3.942 ( 2.155 0.979 -0.394) 2.399 4.488 ( 0.551 -4.272 3.519) 5.563 6.267 ( -6.969 0.153 1.164) 7.067 6.439 ( -2.534 -1.317 -1.503) 3.228 6.694 ( 1.294 1.582 0.409) 2.085 7.015 ( 0.022 9.531 -2.682) 9.901 7.269 ( 2.239 -0.548 1.538) 2.771 8.199 ( 4.561 -5.852 0.026) 7.420======================= Grid point 542 (204/344) =======================q-point: (-0.13 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.246 ( -4.789 -1.283 -0.762) 5.016 2.635 ( -17.971 -1.132 2.965) 18.249 3.346 ( -3.003 5.478 0.839) 6.304 3.461 ( -6.629 -0.892 -3.787) 7.687 4.023 ( 5.248 2.828 0.403) 5.975 4.385 ( -8.502 -3.882 1.173) 9.420 6.146 ( -7.802 0.067 2.309) 8.137 6.361 ( -4.412 -0.483 -2.037) 4.884 6.687 ( -3.806 1.233 -0.410) 4.022 7.122 ( 4.318 6.184 -4.584) 8.826 7.322 ( 5.240 -2.083 2.425) 6.138 8.241 ( 5.942 -3.620 -0.117) 6.959======================= Grid point 550 (205/344) =======================q-point: ( 0.40 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.921 ( 0.000 13.168 -1.306) 13.233 2.018 ( -0.000 12.124 -2.160) 12.315 2.880 ( -0.000 17.013 -10.912) 20.211 2.975 ( 0.000 3.248 0.175) 3.252 3.879 ( 0.000 19.398 7.825) 20.917 4.408 ( 0.000 -6.373 5.036) 8.123 5.727 ( 0.000 9.885 1.408) 9.985 6.312 ( 0.000 -2.343 0.973) 2.537 6.500 ( -0.000 -0.876 -0.796) 1.184 7.016 ( -0.000 1.161 -3.981) 4.147 7.731 ( 0.000 -12.041 1.447) 12.127 8.542 ( -0.000 -3.042 -6.281) 6.979======================= Grid point 551 (206/344) =======================q-point: ( 0.47 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.014 ( -0.628 9.368 -4.455) 10.392 2.181 ( 7.142 11.456 -1.581) 13.592 2.996 ( 1.910 12.675 -4.163) 13.477 3.073 ( 5.213 4.208 -3.833) 7.718 4.068 ( -0.433 13.407 4.326) 14.094 4.382 ( 0.012 -1.935 7.658) 7.898 5.876 ( 5.085 10.119 2.090) 11.516 6.286 ( -1.556 -0.576 0.480) 1.727 6.508 ( 2.024 0.296 -1.290) 2.418 7.016 ( 1.450 -2.379 -2.554) 3.779 7.610 ( -1.420 -10.632 0.490) 10.738 8.452 ( -4.967 -2.081 -5.462) 7.670======================= Grid point 552 (207/344) =======================q-point: ( 0.53 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.091 ( 2.067 7.122 -3.310) 8.121 2.446 ( 10.073 12.476 -0.052) 16.035 3.169 ( 3.951 8.699 -4.431) 10.532 3.199 ( 8.788 4.984 0.436) 10.112 4.124 ( -1.215 0.531 2.021) 2.418 4.413 ( -2.314 5.487 5.075) 7.824 6.086 ( 7.063 9.577 2.307) 12.122 6.258 ( -1.760 1.092 -0.420) 2.113 6.565 ( 3.485 2.251 -1.491) 4.408 6.998 ( 1.615 -4.876 -2.083) 5.543 7.484 ( -2.481 -8.717 0.015) 9.063 8.323 ( -6.450 -0.752 -3.349) 7.306======================= Grid point 553 (208/344) =======================q-point: ( 0.60 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.197 ( 3.357 5.922 -1.212) 6.914 2.737 ( 8.733 13.343 0.992) 15.978 3.268 ( 2.896 4.481 -2.982) 6.113 3.460 ( 12.949 6.749 2.808) 14.870 4.093 ( 0.354 -5.277 2.729) 5.952 4.388 ( -7.744 4.293 -1.240) 8.941 6.253 ( -0.410 2.350 -0.942) 2.565 6.292 ( 5.916 7.856 2.177) 10.072 6.639 ( 2.003 2.509 -1.554) 3.567 6.982 ( 2.914 -3.224 -1.976) 4.774 7.361 ( -3.390 -5.990 -0.136) 6.884 8.215 ( -4.575 -0.831 -0.922) 4.741======================= Grid point 554 (209/344) =======================q-point: ( 0.67 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.295 ( 2.404 4.234 -0.279) 4.877 2.987 ( 4.851 13.181 1.516) 14.127 3.335 ( 0.894 3.409 -0.840) 3.623 3.745 ( 10.317 6.964 1.816) 12.579 4.077 ( 5.929 -8.865 4.287) 11.495 4.230 ( -12.398 1.344 -5.567) 13.657 6.286 ( 1.517 3.165 -1.404) 3.780 6.443 ( 3.860 4.720 2.262) 6.503 6.641 ( -1.937 -1.174 -1.165) 2.546 7.042 ( 3.879 3.777 -1.787) 5.702 7.264 ( -2.834 -2.525 0.209) 3.801 8.144 ( -1.845 -2.997 0.214) 3.526======================= Grid point 555 (210/344) =======================q-point: ( 0.73 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.351 ( 0.416 2.303 -0.116) 2.343 3.153 ( -0.548 11.074 1.699) 11.217 3.350 ( -1.481 1.020 1.111) 2.114 3.888 ( 0.215 5.328 -1.452) 5.527 3.991 ( -12.948 -0.593 -5.271) 13.992 4.196 ( 14.238 -7.060 4.340) 16.474 6.349 ( 2.151 3.192 -0.985) 3.973 6.518 ( -1.109 2.029 0.066) 2.314 6.581 ( 0.531 -3.456 0.894) 3.609 7.125 ( -1.660 8.187 -1.394) 8.469 7.232 ( 0.611 -0.227 0.530) 0.840 8.094 ( 0.689 -5.130 0.207) 5.180======================= Grid point 556 (211/344) =======================q-point: (-0.20 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.354 ( -1.658 0.748 -0.140) 1.824 3.137 ( -10.660 2.959 1.834) 11.215 3.356 ( 1.124 1.074 1.236) 1.986 3.775 ( -12.131 3.917 -2.595) 13.010 3.924 ( 1.089 1.840 -0.489) 2.194 4.358 ( 9.698 -5.329 0.533) 11.078 6.374 ( -3.788 1.595 1.114) 4.259 6.458 ( -2.296 -0.406 -1.973) 3.054 6.630 ( 5.179 -1.442 0.662) 5.417 7.145 ( -3.798 7.648 -1.290) 8.636 7.244 ( 0.293 -1.046 0.430) 1.168 8.081 ( 3.327 -3.947 0.267) 5.169======================= Grid point 557 (212/344) =======================q-point: (-0.13 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.312 ( -3.660 -0.051 -0.396) 3.682 2.912 ( -15.704 -2.484 1.589) 15.978 3.369 ( 0.075 -2.516 -0.534) 2.573 3.649 ( -9.911 7.627 2.058) 12.674 3.980 ( 3.220 2.606 1.171) 4.305 4.399 ( 1.481 -4.929 -2.833) 5.875 6.281 ( -7.243 0.418 2.106) 7.554 6.420 ( -2.968 0.400 -1.756) 3.472 6.694 ( 2.863 -1.259 -1.070) 3.306 7.142 ( -1.920 3.623 -2.749) 4.937 7.238 ( 2.163 -3.169 1.256) 4.038 8.132 ( 4.703 -0.181 0.261) 4.713======================= Grid point 566 (213/344) =======================q-point: ( 0.47 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.128 ( -0.000 9.835 -3.507) 10.441 2.139 ( -0.000 4.280 -7.766) 8.867 3.051 ( 0.000 3.722 1.438) 3.990 3.091 ( -0.000 10.576 -5.663) 11.996 4.162 ( 0.000 0.594 3.707) 3.755 4.452 ( 0.000 10.792 8.361) 13.652 5.935 ( 0.000 9.685 2.645) 10.039 6.308 ( 0.000 1.642 0.377) 1.685 6.482 ( -0.000 0.009 -1.894) 1.894 6.969 ( -0.000 -4.105 -1.019) 4.229 7.524 ( -0.000 -9.129 -1.058) 9.190 8.459 ( -0.000 -1.883 -4.760) 5.119======================= Grid point 567 (214/344) =======================q-point: ( 0.53 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.118 ( -0.179 4.617 -4.769) 6.640 2.334 ( 11.625 6.979 -4.361) 14.243 3.126 ( 4.098 3.228 0.845) 5.285 3.189 ( 2.526 7.838 -1.736) 8.416 4.133 ( -1.309 -4.885 4.221) 6.587 4.575 ( -3.012 12.796 4.029) 13.750 6.077 ( 5.030 8.471 2.565) 10.181 6.312 ( -2.203 3.232 -0.525) 3.947 6.513 ( 3.561 1.226 -1.656) 4.114 6.924 ( 0.616 -5.910 -0.177) 5.944 7.431 ( -1.017 -7.160 -1.779) 7.448 8.396 ( -3.918 -0.944 -3.132) 5.104======================= Grid point 568 (215/344) =======================q-point: ( 0.60 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.184 ( 3.395 4.255 -1.792) 5.731 2.623 ( 15.253 7.208 -2.944) 17.125 3.232 ( 4.623 2.984 -1.945) 5.835 3.336 ( 7.920 4.317 4.289) 9.988 4.067 ( -1.747 -5.599 3.785) 6.981 4.594 ( -8.092 8.960 -0.986) 12.113 6.260 ( 6.116 5.540 2.339) 8.577 6.308 ( -1.678 5.095 -1.479) 5.565 6.600 ( 4.435 2.286 -1.309) 5.158 6.884 ( 2.422 -6.085 0.243) 6.553 7.343 ( -1.644 -4.869 -1.753) 5.430 8.302 ( -5.688 -0.159 -1.174) 5.810======================= Grid point 569 (216/344) =======================q-point: ( 0.67 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.280 ( 3.551 3.145 -0.302) 4.753 2.938 ( 13.318 7.700 -1.919) 15.503 3.322 ( 3.435 2.415 -2.000) 4.651 3.561 ( 13.638 0.648 6.647) 15.185 3.994 ( -1.499 -5.554 2.659) 6.337 4.475 ( -12.941 5.549 -4.206) 14.696 6.309 ( -0.387 3.750 -1.350) 4.004 6.421 ( 4.134 3.579 2.247) 5.912 6.651 ( -0.201 0.070 -1.546) 1.561 6.937 ( 8.661 -1.148 0.400) 8.746 7.276 ( -1.647 -2.118 -1.175) 2.928 8.198 ( -5.884 -0.657 0.013) 5.921======================= Grid point 570 (217/344) =======================q-point: ( 0.73 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.350 ( 1.943 1.441 0.011) 2.420 3.179 ( 7.617 5.771 -0.944) 9.603 3.367 ( 0.241 0.160 -0.703) 0.761 3.830 ( 15.204 -0.564 4.219) 15.789 3.934 ( 0.976 -5.917 1.326) 6.142 4.270 ( -15.189 5.198 -3.639) 16.461 6.351 ( 1.285 3.971 -1.161) 4.332 6.492 ( 2.858 -1.744 2.446) 4.146 6.607 ( -3.632 -0.091 -1.424) 3.902 7.109 ( 8.911 2.422 0.251) 9.237 7.241 ( -1.256 0.327 -0.465) 1.379 8.094 ( -4.670 -1.875 0.113) 5.033======================= Grid point 571 (218/344) =======================q-point: (-0.20 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.373 ( 0.036 0.040 0.000) 0.054 3.299 ( -1.222 3.744 0.050) 3.938 3.306 ( -1.205 -6.606 -0.051) 6.715 3.899 ( -0.294 -0.232 0.002) 0.374 4.073 ( -4.206 1.332 0.005) 4.412 4.093 ( 6.347 1.091 -0.006) 6.440 6.413 ( 1.476 3.295 0.052) 3.611 6.506 ( -0.337 -4.032 -0.202) 4.051 6.545 ( -0.954 0.914 0.152) 1.330 7.226 ( 0.923 1.074 -0.045) 1.417 7.230 ( 0.121 0.157 0.043) 0.203 8.031 ( -0.453 -0.517 0.000) 0.687======================= Grid point 572 (219/344) =======================q-point: (-0.13 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.356 ( -1.707 -0.432 -0.080) 1.763 3.106 ( -11.202 -6.495 0.381) 12.954 3.323 ( 1.059 -3.331 -0.070) 3.496 3.882 ( -5.384 4.410 1.439) 7.107 4.000 ( -3.575 5.312 4.409) 7.774 4.240 ( 9.081 -4.663 -5.560) 11.625 6.408 ( -6.174 0.084 1.456) 6.344 6.453 ( -0.531 1.014 -1.109) 1.594 6.597 ( 5.265 -1.094 -0.722) 5.425 7.175 ( -3.178 -6.329 -0.314) 7.089 7.221 ( -1.151 0.848 -0.357) 1.473 8.081 ( 3.696 3.831 0.294) 5.331======================= Grid point 582 (220/344) =======================q-point: ( 0.53 0.53 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.139 ( -0.000 1.307 -5.595) 5.746 2.268 ( -0.000 6.697 -2.357) 7.100 3.124 ( 0.000 2.678 1.105) 2.897 3.229 ( 0.000 5.417 0.051) 5.418 4.105 ( 0.000 -5.782 4.628) 7.406 4.735 ( 0.000 11.468 1.227) 11.533 6.111 ( 0.000 6.248 1.982) 6.554 6.381 ( 0.000 5.816 -0.383) 5.828 6.481 ( -0.000 1.109 -1.623) 1.966 6.857 ( 0.000 -7.121 0.848) 7.171 7.373 ( -0.000 -4.995 -2.670) 5.664 8.413 ( -0.000 -0.687 -2.028) 2.141======================= Grid point 583 (221/344) =======================q-point: ( 0.60 0.53 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.161 ( 2.375 2.564 -1.642) 3.861 2.426 ( 11.650 4.731 -1.916) 12.720 3.178 ( 3.464 1.638 0.043) 3.832 3.298 ( 2.925 3.168 3.172) 5.353 4.054 ( -1.241 -5.067 3.814) 6.462 4.785 ( -4.865 7.228 -2.360) 9.026 6.209 ( 5.070 3.395 0.743) 6.147 6.401 ( -3.141 6.028 -0.877) 6.853 6.546 ( 4.425 3.148 -0.348) 5.441 6.792 ( 0.822 -7.801 1.220) 7.939 7.320 ( -0.824 -2.730 -2.614) 3.869 8.376 ( -3.324 -0.063 -0.600) 3.378======================= Grid point 584 (222/344) =======================q-point: ( 0.67 0.53 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.241 ( 3.833 2.251 0.279) 4.453 2.713 ( 17.104 3.818 -1.776) 17.615 3.259 ( 4.743 0.676 -1.857) 5.138 3.414 ( 6.867 0.414 7.314) 10.041 3.991 ( -2.049 -3.796 2.291) 4.884 4.702 ( -9.415 3.509 -4.647) 11.070 6.312 ( 3.854 0.369 -0.930) 3.981 6.424 ( -0.371 5.102 0.670) 5.159 6.642 ( 2.097 2.444 -0.596) 3.275 6.776 ( 6.349 -4.694 1.644) 8.065 7.280 ( -1.107 -0.614 -1.898) 2.282 8.299 ( -5.738 0.129 0.281) 5.746======================= Grid point 585 (223/344) =======================q-point: (-0.27 -0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.316 ( 3.032 0.536 0.430) 3.109 3.011 ( 14.572 0.699 -2.454) 14.793 3.332 ( 3.874 0.547 -2.673) 4.738 3.575 ( 11.049 -3.493 8.243) 14.221 3.932 ( -1.932 -1.576 0.567) 2.557 4.532 ( -11.817 2.440 -3.614) 12.595 6.353 ( 1.997 0.448 -1.608) 2.603 6.449 ( 0.162 -1.410 2.114) 2.546 6.656 ( -1.291 1.729 -0.682) 2.263 6.935 ( 12.022 0.613 1.353) 12.113 7.260 ( -0.878 0.744 -0.938) 1.485 8.190 ( -7.012 -0.181 0.205) 7.017======================= Grid point 586 (224/344) =======================q-point: (-0.20 -0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.353 ( 1.634 -1.108 0.148) 1.980 3.155 ( 7.114 -7.719 -1.866) 10.662 3.366 ( -0.787 1.021 -0.920) 1.584 3.758 ( 13.520 -6.116 1.184) 14.886 3.921 ( 0.862 2.124 0.228) 2.304 4.357 ( -11.458 3.853 0.690) 12.108 6.389 ( 3.480 -1.753 -2.060) 4.407 6.437 ( 0.605 -2.286 2.549) 3.477 6.633 ( -3.877 2.890 -0.172) 4.838 7.134 ( 8.956 0.097 1.239) 9.042 7.247 ( -1.366 -0.162 -0.229) 1.394 8.084 ( -4.965 1.048 -0.340) 5.086======================= Grid point 598 (225/344) =======================q-point: ( 0.60 0.60 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.161 ( 0.000 2.949 0.721) 3.036 2.363 ( 0.000 3.625 0.264) 3.635 3.158 ( -0.000 0.383 -0.069) 0.389 3.310 ( 0.000 2.013 4.228) 4.683 4.030 ( 0.000 -4.126 3.008) 5.106 4.864 ( -0.000 2.725 -5.069) 5.755 6.181 ( -0.000 0.628 -0.911) 1.107 6.509 ( 0.000 1.893 0.676) 2.010 6.524 ( 0.000 8.838 -0.392) 8.847 6.709 ( 0.000 -8.571 1.557) 8.711 7.303 ( -0.000 -0.534 -2.635) 2.688 8.405 ( 0.000 0.316 0.338) 0.463======================= Grid point 599 (226/344) =======================q-point: (-0.33 -0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.216 ( 1.841 2.897 2.320) 4.143 2.493 ( 11.228 2.254 0.875) 11.486 3.183 ( 3.184 -0.851 -1.042) 3.457 3.365 ( 2.766 0.872 6.908) 7.492 3.993 ( -1.139 -2.804 1.588) 3.418 4.811 ( -4.337 -1.567 -6.990) 8.374 6.215 ( 4.769 -1.863 -1.915) 5.466 6.499 ( -2.541 2.438 1.089) 3.686 6.626 ( 2.057 -1.479 -0.179) 2.540 6.669 ( 3.128 1.690 2.232) 4.198 7.293 ( -0.786 1.282 -2.139) 2.615 8.383 ( -3.391 0.665 0.889) 3.568======================= Grid point 600 (227/344) =======================q-point: (-0.27 -0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.275 ( 2.204 0.458 1.802) 2.884 2.739 ( 15.264 -1.066 -0.856) 15.326 3.239 ( 5.345 -0.886 -2.402) 5.927 3.453 ( 4.665 -1.457 9.371) 10.569 3.953 ( -1.563 -0.722 0.103) 1.725 4.669 ( -6.470 -3.546 -6.064) 9.550 6.267 ( 4.796 -3.886 -2.145) 6.535 6.463 ( -1.933 -2.539 1.814) 3.671 6.650 ( 3.685 -0.806 -0.106) 3.774 6.803 ( 5.767 6.201 2.389) 8.799 7.288 ( -1.232 2.312 -1.490) 3.014 8.309 ( -6.359 0.618 0.665) 6.424======================= Grid point 601 (228/344) =======================q-point: (-0.20 -0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.306 ( 1.899 -1.985 0.840) 2.872 2.910 ( 10.586 -9.460 -2.777) 14.467 3.336 ( 5.654 1.647 -2.828) 6.533 3.537 ( 6.405 -5.082 6.884) 10.688 3.942 ( -0.372 2.442 -0.242) 2.482 4.513 ( -6.242 -2.911 -2.065) 7.190 6.283 ( 3.552 -5.513 -2.201) 6.917 6.422 ( 0.069 -2.981 2.147) 3.674 6.695 ( 0.505 1.484 0.271) 1.590 6.990 ( 8.714 4.023 2.615) 9.948 7.281 ( -1.968 1.908 -1.039) 2.932 8.199 ( -7.116 1.151 0.003) 7.209======================= Grid point 614 (229/344) =======================q-point: (-0.33 -0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.256 ( 0.000 4.438 4.185) 6.100 2.405 ( 0.000 -0.315 2.054) 2.078 3.139 ( -0.000 -1.904 -0.922) 2.116 3.374 ( 0.000 0.786 8.309) 8.346 3.984 ( 0.000 -1.575 0.429) 1.632 4.779 ( -0.000 -6.799 -9.059) 11.327 6.138 ( -0.000 -3.569 -2.395) 4.298 6.538 ( -0.000 -8.453 0.658) 8.478 6.544 ( 0.000 0.441 1.785) 1.839 6.725 ( 0.000 10.119 1.645) 10.252 7.315 ( -0.000 3.000 -2.034) 3.625 8.426 ( 0.000 1.309 1.168) 1.755======================= Grid point 615 (230/344) =======================q-point: (-0.27 -0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.279 ( -1.188 0.907 3.228) 3.557 2.504 ( 10.313 -2.428 0.848) 10.629 3.143 ( 3.369 -2.129 -1.125) 4.141 3.423 ( 1.837 -0.422 10.061) 10.236 3.970 ( -0.731 0.550 -0.641) 1.117 4.647 ( -1.902 -10.064 -8.715) 13.448 6.130 ( 4.469 -5.231 -2.215) 7.228 6.448 ( -1.071 -6.929 1.193) 7.113 6.572 ( 2.918 -0.880 0.835) 3.160 6.844 ( 1.429 9.857 2.837) 10.356 7.335 ( -1.074 4.144 -1.846) 4.662 8.411 ( -3.917 1.628 0.781) 4.313======================= Grid point 616 (231/344) =======================q-point: (-0.20 -0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.269 ( 0.085 -2.581 1.833) 3.167 2.625 ( 10.205 -10.012 -2.757) 14.559 3.215 ( 7.264 -0.305 -1.273) 7.381 3.467 ( 1.493 -3.301 8.974) 9.677 3.977 ( -0.435 3.797 -0.453) 3.848 4.494 ( -1.026 -10.631 -5.434) 11.983 6.148 ( 4.700 -6.613 -2.147) 8.393 6.383 ( 0.196 -5.400 1.834) 5.707 6.633 ( 5.014 -1.391 0.049) 5.204 6.979 ( 2.600 8.835 4.121) 10.090 7.344 ( -2.306 4.386 -1.868) 5.296 8.335 ( -6.938 1.896 0.134) 7.193======================= Grid point 630 (232/344) =======================q-point: (-0.27 -0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.334 ( 0.000 0.126 1.975) 1.979 2.357 ( 0.000 -6.227 1.195) 6.340 3.087 ( -0.000 -2.573 -0.337) 2.595 3.433 ( 0.000 -1.421 10.665) 10.759 3.989 ( -0.000 2.995 -0.833) 3.108 4.507 ( -0.000 -14.870 -9.297) 17.537 6.028 ( -0.000 -6.175 -1.484) 6.351 6.387 ( -0.000 -6.823 0.372) 6.833 6.542 ( 0.000 -1.349 1.001) 1.680 6.940 ( 0.000 9.811 3.819) 10.528 7.387 ( -0.000 5.561 -1.995) 5.908 8.468 ( 0.000 2.480 0.143) 2.484======================= Grid point 631 (233/344) =======================q-point: (-0.20 -0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.257 ( -1.561 -5.294 1.382) 5.690 2.376 ( 5.819 -10.571 -2.884) 12.406 3.102 ( 4.500 -1.702 0.480) 4.835 3.444 ( 0.670 -4.330 8.475) 9.541 4.031 ( -0.240 6.274 0.591) 6.306 4.332 ( 1.253 -16.790 -7.048) 18.252 5.998 ( 3.952 -7.164 -0.824) 8.223 6.332 ( 0.203 -4.825 0.736) 4.885 6.550 ( 2.606 -1.781 0.002) 3.157 7.052 ( 1.009 8.557 5.153) 10.039 7.426 ( -1.692 6.407 -2.252) 6.999 8.456 ( -4.327 2.994 -0.749) 5.315======================= Grid point 646 (234/344) =======================q-point: (-0.20 -0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.165 ( -0.000 -13.297 -2.037) 13.452 2.242 ( -0.000 -9.734 -2.847) 10.142 3.047 ( 0.000 -1.785 1.352) 2.239 3.397 ( 0.000 -8.768 4.999) 10.093 4.092 ( 0.000 -7.404 1.439) 7.542 4.140 ( -0.000 -2.857 -3.734) 4.701 5.891 ( -0.000 -7.452 0.682) 7.483 6.295 ( -0.000 -2.482 0.226) 2.493 6.511 ( -0.000 -1.765 -0.549) 1.848 7.136 ( 0.000 6.696 6.226) 9.143 7.504 ( -0.000 7.899 -2.397) 8.254 8.522 ( -0.000 3.787 -2.215) 4.387======================= Grid point 727 (235/344) =======================q-point: ( 0.20 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.671 ( 0.000 -0.000 22.014) 22.014 0.671 ( 0.000 -0.000 22.014) 22.014 1.133 ( 0.000 -0.000 38.269) 38.269 2.932 ( -0.000 0.000 -3.257) 3.257 2.932 ( -0.000 0.000 -3.257) 3.257 5.227 ( -0.000 0.000 -14.625) 14.625 5.393 ( -0.000 0.000 -2.602) 2.602 5.393 ( -0.000 0.000 -2.602) 2.602 6.566 ( 0.000 -0.000 1.757) 1.757 6.566 ( 0.000 -0.000 1.757) 1.757 8.381 ( 0.000 -0.000 6.318) 6.318 8.853 ( -0.000 0.000 -2.262) 2.262======================= Grid point 728 (236/344) =======================q-point: ( 0.27 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.743 ( 6.094 3.518 17.987) 19.315 0.916 ( 7.778 4.491 23.007) 24.697 1.476 ( 19.272 11.127 21.561) 30.985 2.947 ( 1.432 0.827 -2.972) 3.401 2.985 ( 6.639 3.833 -2.059) 7.938 4.844 ( -8.199 -4.734 -5.662) 11.032 5.442 ( 3.651 2.108 -2.324) 4.814 6.202 ( 36.826 21.261 -28.068) 50.951 6.541 ( -1.972 -1.138 1.651) 2.813 6.568 ( -1.161 -0.670 0.982) 1.662 8.343 ( -4.999 -2.886 6.472) 8.672 8.782 ( -5.316 -3.069 -1.854) 6.412======================= Grid point 729 (237/344) =======================q-point: ( 0.33 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.010 ( 12.912 7.455 10.662) 18.329 1.162 ( 8.708 5.027 18.612) 21.154 1.985 ( 21.327 12.313 1.253) 24.658 2.977 ( 1.945 1.123 -2.492) 3.355 3.227 ( 14.307 8.260 3.918) 16.978 4.709 ( -3.389 -1.957 -5.936) 7.109 5.542 ( 5.776 3.335 -1.989) 6.960 6.493 ( -2.591 -1.496 1.486) 3.341 6.510 ( -3.768 -2.176 0.736) 4.413 6.766 ( 21.559 12.447 -19.541) 31.648 8.208 ( -8.543 -4.932 6.654) 11.899 8.615 ( -8.623 -4.978 -3.859) 10.679======================= Grid point 730 (238/344) =======================q-point: ( 0.40 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.356 ( 15.182 8.765 5.308) 18.316 1.420 ( 10.487 6.055 8.992) 15.083 2.425 ( 19.084 11.018 -7.489) 23.274 3.018 ( 2.248 1.298 -1.843) 3.184 3.608 ( 16.657 9.617 7.818) 20.762 4.637 ( -1.962 -1.133 -3.013) 3.770 5.685 ( 7.363 4.251 -1.419) 8.620 6.413 ( -4.533 -2.617 0.318) 5.244 6.442 ( -2.141 -1.236 1.138) 2.722 7.098 ( 12.111 6.992 -10.917) 17.741 8.008 ( -11.135 -6.429 6.405) 14.364 8.397 ( -8.325 -4.806 -5.883) 11.270======================= Grid point 731 (239/344) =======================q-point: ( 0.47 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.682 ( 11.240 6.490 1.418) 13.056 1.706 ( 14.694 8.484 1.826) 17.065 2.806 ( 16.916 9.767 -7.252) 20.836 3.065 ( 2.238 1.292 -1.073) 2.798 3.965 ( 12.454 7.190 6.276) 15.690 4.597 ( -1.469 -0.848 0.924) 1.931 5.854 ( 7.614 4.396 -0.394) 8.801 6.330 ( -2.525 -1.458 0.214) 2.923 6.412 ( -0.570 -0.329 0.409) 0.775 7.233 ( 2.465 1.423 -7.981) 8.474 7.737 ( -14.312 -8.263 3.669) 16.929 8.267 ( -1.274 -0.736 -3.282) 3.597======================= Grid point 732 (240/344) =======================q-point: ( 0.53 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.922 ( 10.065 5.811 -2.495) 11.887 2.014 ( 12.375 7.145 -0.358) 14.294 3.109 ( 1.771 1.023 -0.267) 2.063 3.134 ( 13.854 7.999 -5.981) 17.079 4.187 ( 5.914 3.414 3.179) 7.532 4.567 ( -2.033 -1.174 4.587) 5.152 6.008 ( 5.616 3.243 1.115) 6.580 6.313 ( 1.114 0.643 -0.271) 1.315 6.425 ( 1.859 1.073 -0.791) 2.287 7.185 ( -3.965 -2.289 -7.725) 8.980 7.425 ( -13.045 -7.531 3.029) 15.364 8.298 ( 3.450 1.992 -0.596) 4.028======================= Grid point 733 (241/344) =======================q-point: ( 0.60 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.110 ( 7.501 4.331 -3.945) 9.517 2.251 ( 8.870 5.121 -1.571) 10.362 3.139 ( 0.794 0.458 0.443) 1.018 3.381 ( 9.862 5.694 -7.510) 13.641 4.238 ( -1.861 -1.074 -1.744) 2.767 4.553 ( -0.597 -0.345 10.561) 10.584 6.102 ( 2.231 1.288 2.277) 3.438 6.377 ( 4.736 2.734 -0.714) 5.515 6.485 ( 3.470 2.003 -1.724) 4.362 7.009 ( -9.288 -5.363 -5.670) 12.132 7.235 ( -4.460 -2.575 3.574) 6.268 8.378 ( 3.221 1.860 -0.492) 3.752======================= Grid point 734 (242/344) =======================q-point: ( 0.67 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.237 ( 4.993 2.883 -3.771) 6.889 2.398 ( 4.562 2.634 -1.941) 5.614 3.144 ( -0.478 -0.276 0.834) 1.000 3.531 ( 6.161 3.557 -11.408) 13.445 4.123 ( -6.355 -3.669 -3.083) 7.959 4.591 ( -0.492 -0.284 13.932) 13.943 6.127 ( -0.457 -0.264 2.347) 2.405 6.516 ( 7.322 4.227 -0.151) 8.456 6.550 ( 2.375 1.371 -1.716) 3.235 6.787 ( -8.493 -4.904 -3.206) 10.318 7.209 ( 0.488 0.282 3.424) 3.470 8.428 ( 1.508 0.870 -1.099) 2.058======================= Grid point 735 (243/344) =======================q-point: (-0.27 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.317 ( 2.908 1.679 -2.144) 3.984 2.439 ( -0.509 -0.294 -1.403) 1.521 3.124 ( -1.482 -0.856 0.611) 1.817 3.585 ( 1.959 1.131 -14.396) 14.573 3.994 ( -3.519 -2.031 -0.238) 4.070 4.575 ( -5.064 -2.924 12.476) 13.778 6.098 ( -2.654 -1.532 1.728) 3.518 6.548 ( -6.833 -3.945 -0.298) 7.896 6.572 ( -0.000 -0.000 -1.192) 1.192 6.761 ( 9.008 5.201 -2.303) 10.654 7.262 ( 3.128 1.806 3.494) 5.025 8.446 ( 0.579 0.334 -0.824) 1.061======================= Grid point 736 (244/344) =======================q-point: (-0.20 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.341 ( -1.155 -0.667 0.464) 1.412 2.362 ( -6.189 -3.573 0.040) 7.147 3.087 ( -1.743 -1.006 -0.276) 2.031 3.532 ( -2.951 -1.704 -10.329) 10.877 3.990 ( 3.260 1.882 -1.272) 3.974 4.423 ( -11.558 -6.673 8.800) 15.986 6.018 ( -4.771 -2.755 0.656) 5.548 6.391 ( -6.053 -3.494 -0.531) 7.009 6.549 ( -1.597 -0.922 -0.385) 1.884 6.975 ( 9.532 5.503 -3.712) 11.615 7.364 ( 4.970 2.869 3.078) 6.512 8.465 ( 1.438 0.830 0.782) 1.836======================= Grid point 743 (245/344) =======================q-point: ( 0.27 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.894 ( 0.000 15.099 17.062) 22.784 0.997 ( 0.000 13.393 15.701) 20.637 1.519 ( 0.000 16.193 26.145) 30.754 2.900 ( -0.000 -0.062 -3.674) 3.675 3.004 ( -0.000 8.095 -2.361) 8.432 4.826 ( -0.000 -10.496 -6.136) 12.158 5.375 ( -0.000 1.412 -2.485) 2.858 6.143 ( -0.000 41.174 -24.621) 47.974 6.543 ( 0.000 -2.722 1.308) 3.020 6.577 ( 0.000 -0.745 1.661) 1.820 8.360 ( 0.000 -6.364 6.601) 9.169 8.796 ( -0.000 -3.369 -2.686) 4.309======================= Grid point 744 (246/344) =======================q-point: ( 0.33 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.085 ( 0.130 18.683 10.532) 21.448 1.223 ( 3.220 12.535 18.884) 22.893 1.860 ( 11.097 18.377 7.409) 22.710 2.939 ( 3.980 1.167 -2.876) 5.047 3.137 ( 6.660 10.794 1.422) 12.763 4.701 ( -2.075 -5.176 -6.416) 8.500 5.454 ( 6.262 2.339 -2.088) 7.003 6.502 ( -1.521 -3.812 1.084) 4.245 6.553 ( -0.176 2.011 -0.250) 2.034 6.556 ( 12.601 21.060 -18.577) 30.780 8.268 ( -4.117 -8.808 6.507) 11.699 8.695 ( -6.388 -3.963 -3.852) 8.447======================= Grid point 745 (247/344) =======================q-point: ( 0.40 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.341 ( 5.653 18.232 5.946) 19.993 1.441 ( 2.432 12.282 15.158) 19.660 2.245 ( 14.417 16.331 -6.576) 22.755 3.005 ( 2.124 3.376 -2.769) 4.856 3.453 ( 15.057 10.905 6.854) 19.814 4.621 ( -0.618 -3.463 -4.425) 5.653 5.598 ( 7.439 4.481 -1.705) 8.850 6.427 ( -2.625 -4.747 0.662) 5.465 6.500 ( -3.237 -0.197 0.895) 3.364 6.925 ( 13.522 11.945 -12.125) 21.738 8.102 ( -6.920 -9.872 6.422) 13.660 8.496 ( -9.931 -4.111 -5.546) 12.095======================= Grid point 746 (248/344) =======================q-point: ( 0.47 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.633 ( 7.080 12.521 1.465) 14.458 1.662 ( 5.718 15.938 8.876) 19.117 2.625 ( 15.421 14.440 -7.608) 22.454 3.062 ( 1.217 4.246 -2.221) 4.944 3.828 ( 14.460 8.170 6.313) 17.768 4.581 ( 0.493 -3.185 -1.102) 3.406 5.776 ( 7.697 6.298 -1.088) 10.004 6.339 ( -2.324 -4.148 0.354) 4.768 6.458 ( -2.681 1.547 0.736) 3.182 7.146 ( 7.020 3.363 -8.233) 11.330 7.878 ( -10.686 -10.037 4.767) 15.416 8.300 ( -6.009 -2.150 -4.302) 7.697======================= Grid point 747 (249/344) =======================q-point: ( 0.53 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.850 ( 6.735 9.453 0.356) 11.612 1.960 ( 7.542 15.756 2.733) 17.680 2.983 ( 13.342 12.025 -5.527) 18.792 3.117 ( 0.959 4.963 -1.354) 5.233 4.103 ( 9.212 3.809 3.515) 10.570 4.560 ( 0.639 -3.867 1.824) 4.323 5.961 ( 6.397 7.031 -0.022) 9.506 6.287 ( 0.245 -2.359 -0.124) 2.375 6.449 ( -1.304 3.427 0.215) 3.673 7.177 ( -0.443 -2.046 -7.432) 7.722 7.585 ( -13.500 -8.558 2.410) 16.165 8.254 ( 1.993 -0.125 -0.524) 2.065======================= Grid point 748 (250/344) =======================q-point: ( 0.60 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.040 ( 6.111 7.248 -1.733) 9.637 2.221 ( 5.492 13.827 0.552) 14.888 3.147 ( 0.713 3.123 -0.513) 3.244 3.288 ( 8.502 11.123 -5.530) 15.053 4.225 ( 2.156 -0.577 0.023) 2.232 4.544 ( 1.730 -4.348 5.847) 7.489 6.110 ( 2.685 6.568 1.496) 7.252 6.307 ( 3.977 -0.379 -0.997) 4.117 6.483 ( 0.632 4.733 -0.525) 4.804 7.072 ( -5.665 -4.240 -6.907) 9.888 7.326 ( -9.044 -4.697 3.463) 10.764 8.316 ( 4.520 -0.415 0.261) 4.547======================= Grid point 749 (251/344) =======================q-point: ( 0.67 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.180 ( 4.401 4.879 -2.852) 7.163 2.410 ( 2.050 11.794 -0.689) 11.991 3.170 ( -1.016 2.348 0.604) 2.629 3.469 ( 4.315 8.136 -8.666) 12.645 4.163 ( -4.469 -4.510 -3.665) 7.331 4.589 ( 3.761 -3.070 11.427) 12.415 6.181 ( -1.604 5.139 2.231) 5.828 6.404 ( 7.052 1.184 -1.074) 7.230 6.552 ( 1.870 4.980 -0.805) 5.380 6.880 ( -8.850 -4.328 -4.283) 10.742 7.226 ( -1.777 -0.863 3.494) 4.013 8.376 ( 3.656 -1.675 -0.584) 4.064======================= Grid point 750 (252/344) =======================q-point: (-0.27 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.268 ( 2.973 2.344 -2.970) 4.812 2.510 ( -2.318 9.610 -0.901) 9.926 3.163 ( -2.346 1.578 1.040) 3.012 3.543 ( 1.036 4.706 -12.284) 13.195 4.027 ( -4.115 -4.162 -1.861) 6.142 4.632 ( -0.205 -3.559 12.138) 12.651 6.177 ( -4.439 3.430 2.012) 5.960 6.517 ( 4.202 -0.867 -0.779) 4.360 6.625 ( -0.944 1.892 -0.114) 2.117 6.720 ( -1.905 2.436 -3.143) 4.409 7.241 ( 1.899 0.776 3.224) 3.821 8.403 ( 2.570 -2.721 -1.097) 3.900======================= Grid point 751 (253/344) =======================q-point: (-0.20 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.305 ( 1.177 -1.012 -2.201) 2.694 2.506 ( -7.452 6.222 0.343) 9.714 3.134 ( -3.073 1.821 0.647) 3.630 3.526 ( -1.566 0.952 -12.285) 12.421 3.967 ( 0.429 -0.565 0.077) 0.714 4.561 ( -7.497 -5.324 9.836) 13.465 6.113 ( -6.530 1.410 1.536) 6.855 6.458 ( -5.777 -4.155 -0.891) 7.172 6.579 ( -2.101 1.566 -0.603) 2.689 6.870 ( 8.503 6.800 -2.855) 11.256 7.314 ( 4.246 1.358 2.785) 5.257 8.416 ( 2.979 -2.886 -0.370) 4.164======================= Grid point 759 (254/344) =======================q-point: ( 0.33 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.337 ( 0.000 19.551 11.371) 22.618 1.346 ( 0.000 14.655 7.932) 16.664 2.013 ( 0.000 22.980 6.822) 23.972 2.890 ( -0.000 1.193 -2.775) 3.021 3.211 ( 0.000 13.310 1.893) 13.444 4.644 ( -0.000 -5.752 -5.319) 7.834 5.424 ( -0.000 4.876 -1.197) 5.021 6.476 ( 0.000 -4.652 0.973) 4.753 6.560 ( 0.000 -1.746 0.937) 1.981 6.626 ( -0.000 23.129 -15.863) 28.046 8.220 ( 0.000 -11.596 5.941) 13.030 8.700 ( -0.000 -3.976 -5.144) 6.502======================= Grid point 760 (255/344) =======================q-point: ( 0.40 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.490 ( 0.127 17.289 3.270) 17.596 1.596 ( 2.513 15.500 11.747) 19.610 2.263 ( 3.280 22.010 -5.089) 22.827 2.959 ( 5.538 2.504 -2.659) 6.634 3.410 ( 6.311 14.661 6.239) 17.138 4.575 ( -0.242 -4.649 -3.250) 5.678 5.530 ( 5.642 6.287 -0.564) 8.466 6.418 ( -1.602 -4.994 0.911) 5.323 6.533 ( -1.257 -1.290 0.377) 1.840 6.842 ( 7.144 14.401 -10.170) 19.023 8.091 ( -2.948 -12.744 5.401) 14.152 8.586 ( -6.570 -3.872 -6.394) 9.952======================= Grid point 761 (256/344) =======================q-point: ( 0.47 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.684 ( 3.193 14.408 -0.487) 14.765 1.812 ( 1.737 16.928 10.493) 19.992 2.550 ( 9.392 19.498 -7.801) 23.005 3.062 ( 3.603 4.068 -3.471) 6.448 3.718 ( 10.823 11.909 6.464) 17.342 4.529 ( 0.602 -4.337 -0.458) 4.402 5.712 ( 7.579 7.926 -0.226) 10.968 6.338 ( -2.369 -4.442 0.698) 5.082 6.507 ( -1.320 0.571 0.046) 1.439 7.041 ( 7.042 5.341 -6.464) 10.950 7.915 ( -5.197 -12.454 4.805) 14.325 8.393 ( -8.885 -2.589 -6.270) 11.178======================= Grid point 762 (257/344) =======================q-point: ( 0.53 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.864 ( 4.032 11.002 -0.757) 11.742 2.064 ( 3.628 18.988 6.859) 20.512 2.890 ( 11.682 16.300 -5.383) 20.764 3.144 ( 2.129 5.673 -2.635) 6.607 3.995 ( 9.243 6.206 2.824) 11.486 4.503 ( 1.068 -5.033 1.722) 5.426 5.924 ( 7.367 9.144 0.080) 11.742 6.270 ( -1.284 -2.927 0.379) 3.219 6.505 ( -0.890 3.046 -0.141) 3.177 7.122 ( 2.379 -1.271 -5.751) 6.353 7.696 ( -8.979 -10.586 2.844) 14.170 8.251 ( -3.335 -0.941 -2.781) 4.443======================= Grid point 763 (258/344) =======================q-point: ( 0.60 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.031 ( 4.333 8.937 -0.542) 9.946 2.323 ( 3.009 18.550 4.144) 19.244 3.150 ( 4.203 6.717 -2.651) 8.356 3.278 ( 6.003 13.234 -2.992) 14.836 4.160 ( 5.422 0.966 0.528) 5.532 4.469 ( 1.261 -6.944 2.668) 7.545 6.126 ( 5.389 9.352 0.705) 10.816 6.250 ( 1.370 -1.140 -0.338) 1.814 6.533 ( -0.436 4.912 -0.193) 4.935 7.078 ( -2.037 -3.485 -5.765) 7.037 7.448 ( -10.134 -6.858 2.020) 12.402 8.239 ( 2.758 -1.474 0.135) 3.130======================= Grid point 764 (259/344) =======================q-point: ( 0.67 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.170 ( 3.160 6.710 -0.922) 7.475 2.539 ( 0.527 17.305 2.303) 17.465 3.217 ( -0.264 4.103 -0.139) 4.114 3.486 ( 3.269 12.535 -6.202) 14.362 4.169 ( -2.579 -3.815 -3.294) 5.662 4.476 ( 6.806 -6.781 7.434) 12.148 6.258 ( 0.495 4.963 1.855) 5.322 6.313 ( 5.462 4.018 -1.480) 6.940 6.579 ( 0.284 4.631 0.017) 4.640 6.963 ( -6.114 -2.362 -4.884) 8.174 7.276 ( -4.953 -2.675 2.815) 6.294 8.281 ( 4.219 -3.218 0.154) 5.308======================= Grid point 765 (260/344) =======================q-point: ( 0.73 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.258 ( 1.406 4.286 -1.519) 4.760 2.684 ( -3.139 15.504 1.266) 15.869 3.232 ( -2.293 3.285 1.247) 4.196 3.576 ( -1.525 8.309 -10.024) 13.109 4.040 ( -4.045 -5.476 -2.967) 7.426 4.569 ( 6.536 -5.532 9.614) 12.874 6.290 ( -2.440 3.758 1.227) 4.645 6.438 ( 4.690 2.993 -0.726) 5.610 6.632 ( 1.659 2.266 0.382) 2.834 6.824 ( -7.379 2.476 -3.209) 8.419 7.237 ( 0.088 -0.064 2.549) 2.551 8.308 ( 3.687 -4.813 -0.616) 6.094======================= Grid point 766 (261/344) =======================q-point: (-0.20 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.292 ( -0.174 1.606 -1.810) 2.426 2.729 ( -8.141 11.463 1.410) 14.130 3.220 ( -3.197 3.650 1.808) 5.178 3.549 ( -3.662 3.141 -11.464) 12.438 3.955 ( -0.521 -2.269 -0.297) 2.347 4.604 ( -0.010 -5.600 8.015) 9.778 6.250 ( -6.128 2.280 1.533) 6.716 6.477 ( -1.018 -2.652 -1.269) 3.111 6.648 ( -2.171 2.569 0.221) 3.371 6.827 ( 2.748 8.258 -2.615) 9.088 7.271 ( 2.604 0.514 2.121) 3.398 8.315 ( 3.708 -5.495 -0.652) 6.661======================= Grid point 775 (262/344) =======================q-point: ( 0.40 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.652 ( 0.000 13.950 0.948) 13.983 1.742 ( 0.000 15.939 4.784) 16.641 2.453 ( -0.000 22.359 -8.633) 23.968 2.917 ( -0.000 2.648 -0.727) 2.747 3.543 ( 0.000 17.475 7.923) 19.187 4.525 ( -0.000 -4.664 -0.669) 4.712 5.551 ( 0.000 8.254 0.690) 8.283 6.388 ( 0.000 -4.720 1.085) 4.843 6.526 ( -0.000 -1.877 -0.212) 1.889 6.889 ( -0.000 11.318 -6.658) 13.131 7.997 ( 0.000 -14.015 4.136) 14.613 8.584 ( -0.000 -3.727 -7.433) 8.315======================= Grid point 776 (263/344) =======================q-point: ( 0.47 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.783 ( 0.535 12.902 -2.462) 13.145 1.932 ( 4.269 13.663 3.025) 14.631 2.638 ( 1.788 20.605 -8.609) 22.403 3.000 ( 5.440 3.121 -1.879) 6.547 3.768 ( 2.940 16.970 7.777) 18.897 4.483 ( 0.042 -4.426 2.122) 4.909 5.687 ( 5.133 9.447 1.273) 10.826 6.334 ( -1.597 -3.852 0.897) 4.265 6.511 ( 0.351 -0.849 -0.742) 1.181 6.988 ( 3.339 5.062 -3.643) 7.074 7.856 ( -1.860 -13.718 3.169) 14.201 8.476 ( -5.757 -2.703 -7.480) 9.818======================= Grid point 777 (264/344) =======================q-point: ( 0.53 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.909 ( 2.359 10.342 -3.031) 11.032 2.176 ( 6.435 15.331 3.360) 16.963 2.883 ( 7.091 17.904 -5.027) 19.902 3.118 ( 5.372 3.823 -2.559) 7.073 3.980 ( 3.046 11.334 3.349) 12.204 4.453 ( 0.137 -4.254 4.014) 5.850 5.896 ( 7.226 10.208 1.195) 12.563 6.273 ( -1.942 -2.407 0.535) 3.139 6.524 ( 1.196 1.461 -0.958) 2.117 7.052 ( 2.631 -0.927 -2.734) 3.906 7.693 ( -3.480 -12.246 2.271) 12.932 8.324 ( -6.881 -0.880 -5.377) 8.777======================= Grid point 778 (265/344) =======================q-point: ( 0.60 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.049 ( 3.746 8.745 -1.356) 9.610 2.449 ( 5.689 16.709 3.435) 17.982 3.135 ( 5.499 9.614 -3.221) 11.534 3.276 ( 8.094 10.317 -0.962) 13.148 4.104 ( 2.725 3.776 0.265) 4.664 4.413 ( -1.373 -5.188 2.882) 6.091 6.118 ( 6.684 9.963 0.645) 12.014 6.237 ( -0.575 -0.566 0.420) 0.909 6.570 ( 1.343 3.723 -0.845) 4.047 7.043 ( 0.342 -3.437 -3.111) 4.648 7.513 ( -5.873 -9.296 1.127) 11.053 8.223 ( -2.707 -0.519 -1.737) 3.258======================= Grid point 779 (266/344) =======================q-point: ( 0.67 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.184 ( 3.196 6.989 -0.379) 7.694 2.698 ( 2.984 16.975 3.218) 17.533 3.247 ( 1.781 5.021 -1.210) 5.463 3.534 ( 6.224 13.730 -2.179) 15.231 4.159 ( 0.975 -0.471 -1.493) 1.844 4.327 ( 0.496 -9.183 2.765) 9.603 6.243 ( 1.936 0.943 -0.803) 2.299 6.314 ( 4.462 8.630 1.315) 9.803 6.620 ( 0.071 3.353 -0.327) 3.370 7.000 ( -1.372 -0.764 -3.263) 3.622 7.342 ( -5.791 -5.114 1.178) 7.815 8.199 ( 1.281 -2.589 0.117) 2.891======================= Grid point 780 (267/344) =======================q-point: ( 0.73 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.280 ( 1.357 4.865 -0.335) 5.062 2.890 ( -0.793 16.234 2.907) 16.512 3.299 ( -0.767 3.942 0.716) 4.079 3.686 ( -1.978 11.806 -6.453) 13.600 4.055 ( -6.059 -5.035 -4.123) 8.891 4.371 ( 11.150 -8.468 7.004) 15.655 6.298 ( 2.955 1.685 -0.262) 3.412 6.443 ( 1.581 6.010 -0.017) 6.215 6.629 ( -0.160 -0.388 0.705) 0.820 6.966 ( -4.622 5.762 -2.632) 7.841 7.250 ( -1.610 -1.457 1.582) 2.687 8.198 ( 2.766 -5.129 0.010) 5.827======================= Grid point 781 (268/344) =======================q-point: (-0.20 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.321 ( -0.716 2.683 -0.590) 2.839 2.987 ( -6.477 12.898 2.722) 14.688 3.310 ( -2.066 3.500 2.288) 4.664 3.658 ( -8.066 6.436 -9.638) 14.120 3.938 ( -0.982 -3.220 -0.692) 3.437 4.491 ( 8.331 -7.158 5.298) 12.195 6.342 ( -1.205 1.846 0.749) 2.328 6.466 ( -1.198 -0.191 -1.513) 1.939 6.649 ( 2.733 -0.156 1.021) 2.921 6.950 ( -5.210 10.407 -1.830) 11.782 7.250 ( 1.054 0.131 1.209) 1.609 8.192 ( 3.435 -6.413 -0.240) 7.279======================= Grid point 791 (269/344) =======================q-point: ( 0.47 0.47 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.899 ( -0.000 12.272 -3.314) 12.712 1.986 ( -0.000 9.100 -4.806) 10.291 2.787 ( -0.000 18.112 -8.965) 20.210 2.982 ( 0.000 3.716 1.178) 3.898 3.949 ( 0.000 17.736 7.237) 19.155 4.455 ( 0.000 -3.619 5.134) 6.281 5.744 ( 0.000 10.307 2.324) 10.566 6.320 ( 0.000 -2.489 0.797) 2.614 6.489 ( -0.000 -1.252 -1.439) 1.907 6.992 ( -0.000 2.100 -1.134) 2.387 7.744 ( -0.000 -13.352 1.408) 13.426 8.477 ( -0.000 -2.217 -7.585) 7.902======================= Grid point 792 (270/344) =======================q-point: ( 0.53 0.47 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.971 ( -0.360 8.884 -4.909) 10.157 2.154 ( 9.539 9.874 -4.236) 14.368 2.952 ( 2.934 15.634 -4.597) 16.558 3.060 ( 4.137 3.589 0.368) 5.490 4.104 ( -1.336 11.231 3.394) 11.809 4.449 ( -0.587 -0.171 6.918) 6.945 5.897 ( 4.848 10.425 2.402) 11.745 6.290 ( -1.715 -0.900 0.302) 1.961 6.495 ( 2.166 0.054 -1.654) 2.726 7.004 ( 1.076 -1.886 0.099) 2.174 7.613 ( -1.077 -11.879 0.202) 11.930 8.399 ( -4.504 -0.874 -6.095) 7.629======================= Grid point 793 (271/344) =======================q-point: ( 0.60 0.47 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.063 ( 3.126 7.454 -2.709) 8.525 2.435 ( 12.159 11.089 -2.390) 16.629 3.135 ( 3.972 8.298 -2.638) 9.570 3.210 ( 8.832 7.752 1.774) 11.885 4.141 ( -1.865 1.853 1.754) 3.160 4.453 ( -3.801 3.091 3.592) 6.075 6.105 ( 6.706 9.899 1.655) 12.070 6.256 ( -1.741 0.559 -0.126) 1.833 6.552 ( 3.581 2.141 -1.403) 4.401 6.989 ( 0.874 -4.354 0.091) 4.442 7.481 ( -2.021 -9.726 -0.493) 9.946 8.293 ( -5.549 0.334 -3.237) 6.433======================= Grid point 794 (272/344) =======================q-point: ( 0.67 0.47 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.188 ( 3.887 6.182 -0.744) 7.341 2.738 ( 10.366 12.134 -0.752) 15.976 3.247 ( 3.321 4.715 -1.459) 5.949 3.486 ( 12.040 8.766 2.878) 15.169 4.118 ( 0.166 -3.805 2.654) 4.642 4.373 ( -8.965 1.595 -1.987) 9.320 6.243 ( -0.303 2.582 -0.940) 2.765 6.312 ( 5.685 7.567 1.706) 9.617 6.627 ( 2.179 2.282 -1.086) 3.337 6.972 ( 2.089 -2.447 -0.281) 3.230 7.358 ( -2.839 -6.603 -0.552) 7.209 8.208 ( -3.884 -0.350 -0.748) 3.971======================= Grid point 795 (273/344) =======================q-point: ( 0.73 0.47 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.294 ( 2.488 4.333 -0.097) 4.997 2.997 ( 6.016 12.162 0.554) 13.580 3.329 ( 1.705 3.519 -0.319) 3.923 3.756 ( 7.303 8.861 0.642) 11.500 4.118 ( 6.067 -7.302 4.066) 10.327 4.181 ( -11.782 -1.328 -4.511) 12.685 6.277 ( 1.606 2.972 -0.533) 3.420 6.458 ( 3.406 5.167 0.893) 6.253 6.633 ( -1.368 -1.557 -0.449) 2.120 7.030 ( 3.211 4.557 -0.645) 5.612 7.265 ( -2.194 -2.989 0.063) 3.709 8.145 ( -1.724 -2.919 0.076) 3.391======================= Grid point 796 (274/344) =======================q-point: ( 0.80 0.47 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.350 ( 0.348 2.384 -0.068) 2.410 3.167 ( 0.210 10.190 1.474) 10.298 3.360 ( -0.702 0.845 0.967) 1.464 3.867 ( -4.058 9.484 -3.355) 10.848 3.953 ( -9.586 -1.739 -3.060) 10.212 4.234 ( 13.580 -8.987 4.058) 16.783 6.345 ( 2.511 3.181 0.108) 4.054 6.510 ( -2.620 1.677 -1.568) 3.483 6.593 ( 1.730 -3.196 1.523) 3.940 7.114 ( -1.886 8.680 -0.866) 8.924 7.237 ( 0.765 -0.592 0.520) 1.098 8.095 ( 0.653 -5.061 0.047) 5.103======================= Grid point 807 (275/344) =======================q-point: ( 0.53 0.53 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.065 ( -0.000 4.319 -8.269) 9.329 2.094 ( -0.000 10.133 -3.760) 10.808 3.053 ( -0.000 12.610 -2.606) 12.876 3.065 ( 0.000 3.676 1.660) 4.034 4.193 ( 0.000 1.438 2.946) 3.278 4.521 ( 0.000 8.426 6.547) 10.670 5.960 ( 0.000 9.657 2.792) 10.053 6.310 ( 0.000 1.349 0.049) 1.350 6.464 ( -0.000 -0.094 -2.088) 2.090 6.972 ( 0.000 -3.925 1.754) 4.299 7.512 ( -0.000 -10.146 -1.615) 10.274 8.413 ( -0.000 -0.407 -5.140) 5.156======================= Grid point 808 (276/344) =======================q-point: ( 0.60 0.53 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.078 ( 1.190 5.351 -3.985) 6.777 2.293 ( 11.748 7.789 -4.307) 14.739 3.130 ( 2.894 3.450 0.330) 4.515 3.188 ( 3.971 9.192 1.365) 10.106 4.170 ( -1.608 -3.967 3.757) 5.696 4.601 ( -3.767 9.848 1.721) 10.684 6.098 ( 4.901 8.208 2.061) 9.780 6.307 ( -2.444 2.809 -0.601) 3.772 6.498 ( 3.762 1.516 -1.473) 4.315 6.933 ( 0.315 -5.849 2.235) 6.269 7.411 ( -0.695 -7.819 -2.490) 8.235 8.368 ( -3.551 0.443 -3.033) 4.691======================= Grid point 809 (277/344) =======================q-point: ( 0.67 0.53 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.171 ( 4.022 4.948 -1.000) 6.455 2.593 ( 15.703 7.547 -3.360) 17.744 3.220 ( 3.888 2.988 -0.798) 4.968 3.380 ( 9.010 5.694 5.211) 11.864 4.102 ( -2.055 -5.625 3.902) 7.148 4.575 ( -9.004 7.168 -3.246) 11.958 6.274 ( 5.266 4.070 0.647) 6.687 6.299 ( -0.732 6.093 -0.303) 6.145 6.589 ( 4.209 2.505 -1.041) 5.007 6.895 ( 2.022 -5.893 2.147) 6.590 7.325 ( -1.124 -5.136 -2.347) 5.758 8.292 ( -5.302 0.705 -0.948) 5.432======================= Grid point 810 (278/344) =======================q-point: ( 0.73 0.53 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.279 ( 3.635 3.415 0.011) 4.988 2.916 ( 14.085 7.420 -2.730) 16.152 3.307 ( 3.694 2.007 -1.194) 4.370 3.624 ( 12.728 2.175 6.933) 14.656 4.021 ( -1.619 -6.682 3.328) 7.639 4.430 ( -13.270 5.607 -5.702) 15.494 6.300 ( -0.342 3.566 -0.620) 3.636 6.437 ( 4.434 3.853 1.270) 6.010 6.638 ( -0.278 0.017 -1.250) 1.281 6.946 ( 8.025 -0.945 1.604) 8.238 7.264 ( -1.098 -2.134 -1.463) 2.811 8.198 ( -5.784 -0.400 0.009) 5.798======================= Grid point 823 (279/344) =======================q-point: ( 0.60 0.60 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.097 ( -0.000 3.563 -3.459) 4.966 2.250 ( -0.000 7.654 -1.549) 7.810 3.133 ( 0.000 2.255 0.816) 2.398 3.240 ( 0.000 6.831 2.337) 7.220 4.147 ( 0.000 -5.848 4.534) 7.400 4.732 ( -0.000 8.911 -1.959) 9.124 6.124 ( 0.000 5.329 0.990) 5.420 6.377 ( 0.000 5.678 -0.488) 5.699 6.469 ( -0.000 1.812 -0.873) 2.011 6.875 ( 0.000 -7.398 2.921) 7.954 7.344 ( -0.000 -5.104 -3.523) 6.202 8.396 ( -0.000 0.644 -1.674) 1.794======================= Grid point 824 (280/344) =======================q-point: ( 0.67 0.60 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.153 ( 2.718 4.136 -0.048) 4.949 2.412 ( 10.940 5.979 -1.020) 12.509 3.178 ( 2.938 1.204 -0.202) 3.182 3.338 ( 3.921 4.392 5.396) 7.986 4.090 ( -1.456 -5.824 4.115) 7.279 4.748 ( -5.005 5.494 -5.681) 9.355 6.209 ( 5.140 2.312 -0.568) 5.665 6.396 ( -3.128 6.407 -0.206) 7.133 6.544 ( 4.270 3.733 -0.004) 5.672 6.811 ( 0.752 -8.148 2.814) 8.652 7.292 ( -0.552 -2.451 -3.364) 4.198 8.372 ( -3.242 0.852 -0.185) 3.357======================= Grid point 825 (281/344) =======================q-point: (-0.27 -0.40 -0.80)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.247 ( 3.551 2.910 0.950) 4.689 2.697 ( 16.138 4.569 -1.636) 16.852 3.244 ( 4.248 0.156 -1.441) 4.489 3.489 ( 7.732 1.349 8.913) 11.876 4.014 ( -2.415 -5.005 2.707) 6.181 4.647 ( -8.954 3.177 -7.306) 11.985 6.302 ( 3.854 -0.099 -1.295) 4.067 6.431 ( 0.232 5.458 0.830) 5.526 6.636 ( 1.583 2.579 -0.568) 3.079 6.796 ( 6.145 -4.765 2.687) 8.227 7.260 ( -0.659 -0.238 -2.397) 2.497 8.303 ( -5.830 0.482 0.501) 5.871======================= Grid point 839 (282/344) =======================q-point: (-0.33 -0.33 -0.80)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.176 ( 0.000 4.776 2.416) 5.352 2.369 ( 0.000 4.482 1.029) 4.599 3.156 ( -0.000 -0.048 -0.396) 0.399 3.361 ( 0.000 3.256 6.889) 7.620 4.060 ( 0.000 -5.336 3.474) 6.367 4.802 ( -0.000 1.374 -8.605) 8.714 6.168 ( -0.000 -0.167 -1.854) 1.861 6.519 ( 0.000 2.525 1.401) 2.887 6.520 ( 0.000 8.954 -0.447) 8.965 6.729 ( 0.000 -8.862 2.660) 9.253 7.275 ( -0.000 0.002 -3.413) 3.413 8.410 ( 0.000 0.947 0.761) 1.215======================= Grid point 840 (283/344) =======================q-point: (-0.27 -0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.241 ( 1.152 3.646 2.905) 4.802 2.502 ( 10.421 2.785 0.995) 10.833 3.173 ( 2.793 -1.132 -1.099) 3.208 3.441 ( 3.335 1.841 9.807) 10.520 4.009 ( -1.340 -4.189 1.962) 4.816 4.734 ( -3.735 -1.982 -9.913) 10.777 6.196 ( 4.924 -2.191 -2.166) 5.809 6.509 ( -2.682 3.057 1.054) 4.202 6.625 ( 2.076 -0.513 -0.038) 2.139 6.692 ( 3.152 0.546 2.865) 4.294 7.270 ( -0.566 1.763 -2.875) 3.420 8.393 ( -3.510 0.840 1.095) 3.772======================= Grid point 855 (284/344) =======================q-point: (-0.27 -0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.291 ( 0.000 4.324 3.411) 5.507 2.424 ( 0.000 -0.224 1.904) 1.917 3.130 ( -0.000 -1.925 -0.852) 2.105 3.465 ( 0.000 1.616 11.666) 11.778 3.989 ( 0.000 -2.898 0.693) 2.979 4.685 ( -0.000 -6.712 -11.324) 13.163 6.117 ( -0.000 -3.456 -2.219) 4.107 6.544 ( -0.000 -8.315 0.632) 8.339 6.559 ( 0.000 0.319 1.591) 1.623 6.742 ( 0.000 10.496 1.964) 10.678 7.292 ( -0.000 3.424 -2.930) 4.506 8.437 ( 0.000 1.107 1.090) 1.554======================= Grid point 968 (285/344) =======================q-point: ( 0.27 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.859 ( 0.000 -0.000 19.017) 19.017 0.859 ( 0.000 -0.000 19.017) 19.017 1.466 ( 0.000 -0.000 34.187) 34.187 2.899 ( -0.000 0.000 -3.769) 3.769 2.899 ( -0.000 0.000 -3.769) 3.769 5.084 ( -0.000 0.000 -16.369) 16.369 5.369 ( -0.000 0.000 -2.642) 2.642 5.369 ( -0.000 0.000 -2.642) 2.642 6.583 ( 0.000 -0.000 1.765) 1.765 6.583 ( 0.000 -0.000 1.765) 1.765 8.443 ( 0.000 -0.000 7.125) 7.125 8.829 ( -0.000 0.000 -3.085) 3.085======================= Grid point 969 (286/344) =======================q-point: ( 0.33 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.906 ( 3.867 2.233 17.199) 17.769 1.113 ( 9.707 5.604 19.547) 22.533 1.663 ( 9.213 5.319 18.856) 21.650 2.917 ( 1.662 0.960 -3.576) 4.058 2.972 ( 8.545 4.934 -0.852) 9.904 4.780 ( -8.207 -4.738 -8.067) 12.445 5.418 ( 3.747 2.164 -2.784) 5.146 5.986 ( 34.776 20.078 -19.203) 44.511 6.558 ( -2.007 -1.159 1.858) 2.970 6.578 ( -1.666 -0.962 1.038) 2.186 8.406 ( -5.079 -2.933 7.097) 9.207 8.759 ( -5.351 -3.089 -3.232) 6.973======================= Grid point 970 (287/344) =======================q-point: ( 0.40 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.116 ( 10.272 5.931 12.042) 16.903 1.347 ( 5.536 3.196 21.361) 22.297 1.972 ( 16.197 9.351 -3.993) 19.124 2.951 ( 2.265 1.308 -3.127) 4.077 3.270 ( 16.401 9.469 5.340) 19.676 4.649 ( -2.471 -1.427 -6.966) 7.528 5.519 ( 5.991 3.459 -2.819) 7.470 6.509 ( -2.695 -1.556 1.909) 3.651 6.513 ( -3.700 -2.136 -0.377) 4.289 6.605 ( 24.443 14.112 -15.004) 31.964 8.271 ( -8.569 -4.947 7.092) 12.174 8.577 ( -9.394 -5.424 -4.354) 11.688======================= Grid point 971 (288/344) =======================q-point: ( 0.47 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.414 ( 13.156 7.595 7.188) 16.806 1.522 ( 6.124 3.536 12.773) 14.600 2.353 ( 18.899 10.911 -8.094) 23.275 2.998 ( 2.633 1.520 -2.474) 3.920 3.675 ( 16.667 9.623 6.525) 20.322 4.603 ( -0.376 -0.217 -4.196) 4.218 5.667 ( 7.776 4.489 -2.547) 9.333 6.414 ( -4.488 -2.591 -0.022) 5.182 6.456 ( -2.383 -1.376 1.811) 3.294 7.000 ( 13.820 7.979 -10.103) 18.887 8.064 ( -12.010 -6.934 5.572) 14.946 8.353 ( -7.927 -4.577 -3.603) 9.837======================= Grid point 972 (289/344) =======================q-point: ( 0.53 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.713 ( 8.371 4.833 5.328) 11.037 1.731 ( 13.263 7.657 3.598) 15.732 2.747 ( 17.585 10.153 -5.574) 21.057 3.052 ( 2.659 1.535 -1.686) 3.503 4.015 ( 11.626 6.712 4.349) 14.112 4.595 ( 0.142 0.082 -1.318) 1.328 5.844 ( 8.302 4.793 -1.762) 9.747 6.331 ( -2.571 -1.485 0.008) 2.969 6.420 ( -1.054 -0.608 1.370) 1.832 7.157 ( 2.921 1.686 -8.216) 8.882 7.763 ( -15.063 -8.696 1.910) 17.497 8.256 ( -0.354 -0.205 0.891) 0.981======================= Grid point 973 (290/344) =======================q-point: ( 0.60 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.915 ( 8.368 4.831 0.968) 9.711 2.018 ( 11.410 6.588 1.110) 13.222 3.086 ( 13.604 7.854 -4.417) 16.318 3.103 ( 2.188 1.263 -0.834) 2.660 4.210 ( 4.618 2.666 1.892) 5.658 4.596 ( 0.166 0.096 1.571) 1.582 6.012 ( 6.516 3.762 -0.276) 7.529 6.310 ( 0.920 0.531 -0.224) 1.086 6.423 ( 1.142 0.660 0.300) 1.353 7.114 ( -3.859 -2.228 -7.501) 8.725 7.451 ( -12.179 -7.031 2.698) 14.319 8.303 ( 3.202 1.848 1.718) 4.077======================= Grid point 974 (291/344) =======================q-point: ( 0.67 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.083 ( 6.634 3.830 -1.873) 7.886 2.241 ( 8.291 4.787 -0.576) 9.591 3.141 ( 1.139 0.658 0.004) 1.315 3.319 ( 8.476 4.894 -6.079) 11.522 4.217 ( -3.477 -2.007 -2.880) 4.941 4.639 ( 2.327 1.344 8.054) 8.490 6.119 ( 2.753 1.589 1.500) 3.515 6.373 ( 4.735 2.734 -0.231) 5.473 6.472 ( 3.065 1.770 -1.119) 3.712 6.957 ( -7.915 -4.569 -5.618) 10.728 7.271 ( -4.668 -2.695 4.159) 6.808 8.377 ( 2.649 1.529 0.313) 3.074======================= Grid point 975 (292/344) =======================q-point: ( 0.73 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.203 ( 4.978 2.874 -3.461) 6.709 2.381 ( 4.384 2.531 -1.617) 5.314 3.151 ( -0.328 -0.189 0.663) 0.763 3.436 ( 4.307 2.487 -9.363) 10.602 4.092 ( -5.519 -3.186 -3.518) 7.279 4.708 ( 0.180 0.104 11.658) 11.660 6.149 ( -0.473 -0.273 2.328) 2.391 6.517 ( 7.652 4.418 0.253) 8.840 6.534 ( 2.421 1.398 -1.735) 3.290 6.757 ( -8.071 -4.660 -3.286) 9.882 7.242 ( 0.346 0.200 3.739) 3.760 8.418 ( 1.254 0.724 -1.023) 1.773======================= Grid point 984 (293/344) =======================q-point: ( 0.33 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.052 ( 0.000 12.602 16.964) 21.133 1.125 ( 0.000 10.801 12.095) 16.215 1.738 ( 0.000 8.932 21.137) 22.947 2.868 ( -0.000 0.149 -3.366) 3.369 2.985 ( -0.000 9.457 -1.500) 9.575 4.759 ( -0.000 -9.624 -8.346) 12.739 5.356 ( -0.000 1.696 -1.720) 2.415 5.955 ( -0.000 38.527 -16.715) 41.996 6.556 ( 0.000 -3.010 1.482) 3.355 6.591 ( 0.000 -0.904 1.228) 1.525 8.422 ( 0.000 -6.651 7.023) 9.672 8.765 ( -0.000 -3.753 -3.921) 5.427======================= Grid point 985 (294/344) =======================q-point: ( 0.40 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.185 ( -0.590 14.713 10.858) 18.296 1.388 ( 6.802 10.483 16.999) 21.098 1.904 ( 3.534 12.792 2.228) 13.457 2.911 ( 3.851 1.434 -3.070) 5.129 3.161 ( 8.896 12.397 3.531) 15.662 4.639 ( -1.928 -4.041 -6.967) 8.281 5.436 ( 5.878 2.913 -1.785) 6.798 6.395 ( 15.422 26.550 -14.784) 34.078 6.513 ( -1.531 -4.093 1.263) 4.548 6.564 ( -2.047 -1.121 0.858) 2.487 8.329 ( -4.007 -9.200 6.813) 12.129 8.654 ( -6.449 -4.802 -4.861) 9.396======================= Grid point 986 (295/344) =======================q-point: ( 0.47 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.398 ( 5.247 14.568 6.446) 16.772 1.589 ( 0.420 9.427 16.478) 18.989 2.174 ( 13.322 15.782 -8.479) 22.326 2.978 ( 2.394 3.314 -3.152) 5.162 3.514 ( 15.416 11.284 6.054) 20.041 4.579 ( 0.043 -1.857 -4.650) 5.008 5.581 ( 7.173 5.216 -2.036) 9.100 6.433 ( -2.853 -4.779 0.722) 5.612 6.508 ( -2.920 -0.422 0.735) 3.040 6.825 ( 14.511 14.076 -9.499) 22.337 8.161 ( -7.052 -10.421 6.218) 14.035 8.447 ( -9.585 -4.736 -5.009) 11.806======================= Grid point 987 (296/344) =======================q-point: ( 0.53 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.652 ( 7.375 10.860 2.850) 13.433 1.753 ( 2.335 13.854 10.475) 17.525 2.562 ( 16.253 14.962 -5.815) 22.844 3.040 ( 1.770 4.162 -2.555) 5.194 3.876 ( 13.823 7.492 3.839) 16.184 4.566 ( 1.265 -1.612 -2.168) 2.983 5.762 ( 7.710 7.084 -1.908) 10.643 6.343 ( -2.516 -4.070 0.451) 4.806 6.466 ( -2.519 1.046 1.036) 2.918 7.074 ( 6.990 4.404 -7.357) 11.063 7.913 ( -12.093 -10.414 2.634) 16.175 8.276 ( -3.881 -2.454 -0.596) 4.630======================= Grid point 988 (297/344) =======================q-point: ( 0.60 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.862 ( 6.321 7.927 2.113) 10.357 1.996 ( 5.179 15.719 5.034) 17.299 2.941 ( 13.653 12.247 -3.616) 18.694 3.103 ( 1.418 4.873 -1.737) 5.365 4.129 ( 8.835 3.000 1.910) 9.524 4.565 ( 1.506 -2.607 -0.809) 3.117 5.955 ( 6.828 7.787 -1.256) 10.432 6.287 ( -0.057 -2.464 0.211) 2.473 6.454 ( -1.461 2.965 0.850) 3.413 7.111 ( -0.655 -1.485 -6.812) 7.003 7.602 ( -13.276 -8.313 1.384) 15.725 8.263 ( 2.623 -0.718 2.346) 3.592======================= Grid point 989 (298/344) =======================q-point: ( 0.67 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.034 ( 5.088 6.616 0.450) 8.358 2.232 ( 3.952 14.123 2.016) 14.803 3.141 ( 1.588 3.352 -0.761) 3.786 3.243 ( 7.256 10.421 -4.324) 13.414 4.219 ( 0.378 -1.844 -1.364) 2.325 4.586 ( 4.754 -2.556 3.392) 6.375 6.118 ( 3.441 7.250 0.145) 8.026 6.301 ( 3.733 -0.808 -0.223) 3.826 6.482 ( 0.155 4.634 0.194) 4.641 7.012 ( -5.348 -3.623 -5.998) 8.815 7.357 ( -8.242 -4.675 3.315) 10.039 8.324 ( 4.021 -0.959 1.496) 4.397======================= Grid point 990 (299/344) =======================q-point: ( 0.73 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.160 ( 3.447 4.937 -1.548) 6.217 2.407 ( 1.019 12.238 0.095) 12.281 3.175 ( -0.689 2.664 0.389) 2.779 3.396 ( 2.847 6.961 -7.208) 10.417 4.128 ( -4.542 -4.497 -4.036) 7.559 4.682 ( 5.574 -2.429 8.774) 10.675 6.199 ( -1.287 5.239 1.635) 5.637 6.397 ( 7.234 0.861 -0.486) 7.301 6.546 ( 1.555 5.397 -0.432) 5.634 6.842 ( -7.997 -3.806 -3.924) 9.687 7.259 ( -1.805 -1.291 3.714) 4.327 8.373 ( 3.083 -1.947 -0.231) 3.653======================= Grid point 1000 (300/344) =======================q-point: ( 0.40 0.40 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.401 ( 0.000 12.266 3.919) 12.877 1.451 ( 0.000 16.555 13.286) 21.227 2.042 ( 0.000 15.886 -0.743) 15.903 2.870 ( -0.000 1.746 -1.575) 2.351 3.242 ( 0.000 15.542 4.683) 16.232 4.594 ( -0.000 -3.968 -5.396) 6.698 5.419 ( 0.000 5.362 0.012) 5.362 6.487 ( 0.000 -4.768 1.257) 4.931 6.500 ( -0.000 26.276 -11.354) 28.624 6.565 ( 0.000 -2.031 0.247) 2.046 8.276 ( 0.000 -12.272 6.142) 13.723 8.647 ( -0.000 -4.914 -6.237) 7.940======================= Grid point 1001 (301/344) =======================q-point: ( 0.47 0.40 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.515 ( 0.122 14.113 2.055) 14.262 1.699 ( 4.572 11.815 10.568) 16.498 2.200 ( 2.023 19.951 -8.400) 21.741 2.937 ( 4.580 2.708 -2.034) 5.696 3.473 ( 6.521 15.822 7.112) 18.532 4.546 ( -0.151 -2.444 -2.975) 3.854 5.528 ( 5.146 6.965 0.218) 8.663 6.427 ( -1.714 -5.051 1.044) 5.435 6.534 ( -1.163 -1.495 -0.275) 1.914 6.764 ( 7.515 16.961 -6.711) 19.728 8.141 ( -2.754 -13.621 5.504) 14.947 8.524 ( -6.292 -4.599 -7.006) 10.480======================= Grid point 1002 (302/344) =======================q-point: ( 0.53 0.40 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.682 ( 3.527 12.174 -0.022) 12.675 1.899 ( 2.538 13.912 8.122) 16.308 2.484 ( 10.227 20.197 -6.183) 23.468 3.033 ( 3.565 4.038 -2.735) 6.041 3.769 ( 9.445 11.490 4.617) 15.574 4.524 ( 0.665 -2.155 -0.608) 2.335 5.710 ( 7.054 8.734 -0.212) 11.229 6.345 ( -2.485 -4.481 0.758) 5.180 6.506 ( -1.045 0.153 -0.125) 1.063 6.991 ( 6.579 6.838 -4.326) 10.428 7.957 ( -5.544 -13.310 4.062) 14.980 8.340 ( -7.352 -2.890 -5.102) 9.404======================= Grid point 1003 (303/344) =======================q-point: ( 0.60 0.40 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.861 ( 4.814 9.947 0.162) 11.051 2.125 ( 3.183 17.470 6.285) 18.837 2.850 ( 12.178 16.731 -3.184) 20.937 3.122 ( 2.528 5.828 -2.197) 6.721 4.014 ( 8.537 5.377 1.229) 10.164 4.511 ( 0.711 -3.462 0.142) 3.537 5.922 ( 7.091 9.876 -0.568) 12.172 6.275 ( -1.428 -3.005 0.565) 3.375 6.505 ( -0.626 2.567 0.147) 2.646 7.075 ( 1.512 -0.385 -4.258) 4.535 7.716 ( -9.717 -10.752 1.335) 14.554 8.236 ( -1.136 -1.532 -0.253) 1.923======================= Grid point 1004 (304/344) =======================q-point: ( 0.67 0.40 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.031 ( 4.433 8.353 0.607) 9.476 2.364 ( 2.089 18.122 4.640) 18.823 3.129 ( 5.269 7.435 -1.641) 9.260 3.252 ( 4.722 12.684 -2.640) 13.790 4.161 ( 4.750 0.101 -0.276) 4.759 4.483 ( 2.242 -5.685 0.458) 6.128 6.126 ( 5.670 9.851 -0.586) 11.381 6.251 ( 0.950 -1.238 0.419) 1.616 6.534 ( -0.292 4.610 0.383) 4.635 7.031 ( -2.610 -2.759 -4.352) 5.776 7.464 ( -9.473 -6.859 1.471) 11.788 8.247 ( 3.211 -2.159 1.512) 4.154======================= Grid point 1005 (305/344) =======================q-point: ( 0.73 0.40 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.166 ( 2.670 6.535 0.066) 7.059 2.564 ( -0.578 17.528 3.056) 17.802 3.216 ( 0.382 4.442 0.104) 4.459 3.431 ( 1.638 11.827 -5.839) 13.291 4.137 ( -3.384 -4.469 -3.696) 6.714 4.535 ( 9.024 -5.652 5.461) 11.967 6.271 ( 0.570 4.417 0.985) 4.562 6.302 ( 5.596 4.540 -0.871) 7.258 6.582 ( 0.240 4.777 0.563) 4.816 6.922 ( -5.958 -1.685 -3.786) 7.257 7.301 ( -4.446 -3.145 2.707) 6.082 8.285 ( 3.795 -3.609 0.590) 5.271======================= Grid point 1016 (306/344) =======================q-point: ( 0.47 0.47 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.646 ( -0.000 12.485 -2.349) 12.704 1.782 ( 0.000 10.997 3.672) 11.594 2.363 ( -0.000 21.103 -10.498) 23.570 2.916 ( 0.000 3.222 0.665) 3.290 3.620 ( 0.000 18.268 8.491) 20.145 4.520 ( -0.000 -2.119 -0.395) 2.155 5.563 ( 0.000 8.729 1.831) 8.919 6.397 ( 0.000 -4.782 0.988) 4.883 6.520 ( -0.000 -2.228 -0.933) 2.416 6.843 ( -0.000 13.591 -3.123) 13.945 8.036 ( 0.000 -15.178 4.243) 15.760 8.511 ( -0.000 -4.080 -8.280) 9.231======================= Grid point 1017 (307/344) =======================q-point: ( 0.53 0.47 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.756 ( 0.741 11.466 -3.487) 12.008 1.944 ( 6.625 10.193 -0.756) 12.180 2.565 ( 3.266 21.551 -6.752) 22.819 2.991 ( 3.993 3.534 -0.013) 5.332 3.834 ( 1.720 16.152 6.394) 17.457 4.502 ( -0.118 -1.901 2.100) 2.836 5.702 ( 4.652 9.926 1.891) 11.124 6.342 ( -1.673 -3.991 0.678) 4.380 6.502 ( 0.537 -1.185 -1.200) 1.770 6.969 ( 2.938 6.416 -0.612) 7.083 7.885 ( -1.625 -15.020 3.085) 15.420 8.406 ( -5.105 -2.475 -7.711) 9.573======================= Grid point 1018 (308/344) =======================q-point: ( 0.60 0.47 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.884 ( 3.455 9.804 -2.353) 10.658 2.191 ( 8.829 13.079 -0.124) 15.780 2.846 ( 7.787 18.745 -2.833) 20.495 3.103 ( 4.840 4.546 -0.585) 6.666 4.005 ( 1.636 10.170 2.092) 10.511 4.485 ( -0.688 -2.518 2.884) 3.890 5.906 ( 6.621 10.650 1.047) 12.584 6.278 ( -1.932 -2.599 0.346) 3.256 6.515 ( 1.493 1.127 -0.885) 2.070 7.038 ( 1.567 -0.130 -0.395) 1.621 7.711 ( -3.528 -13.323 1.588) 13.874 8.278 ( -5.188 -0.464 -4.393) 6.814======================= Grid point 1019 (309/344) =======================q-point: ( 0.67 0.47 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.040 ( 4.495 8.554 -0.486) 9.676 2.471 ( 7.283 15.170 1.297) 16.877 3.114 ( 5.737 9.877 -1.208) 11.486 3.270 ( 7.402 11.488 -0.332) 13.670 4.106 ( 2.301 3.637 0.106) 4.305 4.431 ( -2.338 -5.027 0.997) 5.633 6.120 ( 6.097 10.006 0.052) 11.717 6.241 ( -0.340 -0.428 0.360) 0.654 6.564 ( 1.686 3.410 -0.317) 3.817 7.024 ( -0.740 -2.678 -1.108) 2.991 7.520 ( -5.779 -9.749 0.387) 11.339 8.212 ( -1.240 -0.663 -0.619) 1.537======================= Grid point 1020 (310/344) =======================q-point: ( 0.73 0.47 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.183 ( 3.324 6.843 0.188) 7.610 2.724 ( 3.787 16.055 2.302) 16.655 3.241 ( 2.311 5.254 -0.095) 5.741 3.512 ( 3.909 14.552 -2.649) 15.299 4.141 ( -1.455 -1.004 -2.278) 2.883 4.352 ( 3.474 -8.704 2.597) 9.725 6.238 ( 2.272 1.054 -0.033) 2.505 6.320 ( 3.921 8.595 -0.059) 9.448 6.620 ( 0.499 3.154 0.404) 3.218 6.978 ( -2.165 -0.000 -1.589) 2.686 7.351 ( -5.087 -5.487 0.884) 7.534 8.202 ( 1.541 -2.909 0.466) 3.324======================= Grid point 1032 (311/344) =======================q-point: ( 0.53 0.53 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.862 ( -0.000 12.082 -4.678) 12.956 1.930 ( -0.000 6.542 -7.388) 9.868 2.722 ( -0.000 19.857 -5.069) 20.494 2.996 ( 0.000 3.906 1.877) 4.334 4.007 ( 0.000 15.649 5.121) 16.466 4.500 ( 0.000 -1.076 4.789) 4.909 5.768 ( 0.000 10.520 2.920) 10.918 6.326 ( 0.000 -2.689 0.459) 2.728 6.474 ( -0.000 -1.525 -1.916) 2.449 6.997 ( 0.000 2.885 2.073) 3.553 7.757 ( -0.000 -14.827 1.315) 14.885 8.406 ( -0.000 -1.356 -7.899) 8.014======================= Grid point 1033 (312/344) =======================q-point: ( 0.60 0.53 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.926 ( 0.614 8.717 -4.626) 9.887 2.106 ( 11.120 9.432 -5.992) 15.765 2.921 ( 3.484 17.038 -1.841) 17.488 3.070 ( 3.529 3.957 1.557) 5.526 4.129 ( -1.885 9.765 1.884) 10.122 4.506 ( -1.359 0.717 5.377) 5.592 5.919 ( 4.388 10.490 2.418) 11.625 6.291 ( -1.788 -1.187 -0.018) 2.146 6.479 ( 2.440 -0.057 -1.703) 2.977 7.018 ( 0.480 -1.516 2.868) 3.279 7.614 ( -0.777 -13.300 -0.109) 13.323 8.344 ( -3.798 0.354 -5.824) 6.962======================= Grid point 1034 (313/344) =======================q-point: ( 0.67 0.53 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.042 ( 4.158 7.768 -1.749) 8.983 2.405 ( 13.823 10.513 -4.072) 17.837 3.122 ( 3.922 8.631 -0.208) 9.482 3.229 ( 8.709 9.178 2.283) 12.857 4.155 ( -2.265 3.062 1.116) 3.969 4.477 ( -5.069 0.936 1.692) 5.425 6.117 ( 6.107 9.954 1.176) 11.737 6.255 ( -1.528 0.266 -0.312) 1.582 6.541 ( 3.818 2.075 -0.983) 4.455 7.000 ( -0.080 -3.925 2.364) 4.582 7.475 ( -1.587 -10.756 -0.973) 10.916 8.266 ( -4.503 1.216 -2.597) 5.338======================= Grid point 1048 (314/344) =======================q-point: ( 0.60 0.60 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.993 ( -0.000 5.469 -7.052) 8.924 2.061 ( -0.000 10.902 -3.361) 11.408 3.042 ( 0.000 14.136 0.156) 14.137 3.080 ( 0.000 3.411 1.594) 3.765 4.214 ( 0.000 2.561 1.545) 2.991 4.570 ( 0.000 5.728 4.181) 7.091 5.984 ( 0.000 9.282 2.453) 9.600 6.310 ( 0.000 1.116 -0.097) 1.120 6.445 ( -0.000 0.071 -1.914) 1.916 7.000 ( 0.000 -3.966 4.369) 5.901 7.495 ( -0.000 -11.406 -2.039) 11.587 8.367 ( -0.000 1.190 -4.746) 4.893======================= Grid point 1049 (315/344) =======================q-point: (-0.33 -0.40 -0.73)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.048 ( 2.448 6.439 -2.475) 7.320 2.257 ( 11.180 9.088 -3.389) 14.801 3.134 ( 2.204 3.618 0.611) 4.280 3.209 ( 4.980 10.145 3.048) 11.706 4.200 ( -1.785 -2.510 2.736) 4.120 4.606 ( -4.296 6.448 -0.814) 7.791 6.113 ( 4.723 7.571 1.145) 8.997 6.302 ( -2.565 2.639 -0.397) 3.702 6.487 ( 3.909 1.950 -0.938) 4.468 6.964 ( -0.063 -6.037 4.401) 7.471 7.386 ( -0.324 -8.627 -3.002) 9.141 8.342 ( -3.171 1.837 -2.461) 4.415======================= Grid point 1064 (316/344) =======================q-point: (-0.33 -0.33 -0.73)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.078 ( -0.000 5.845 -0.760) 5.894 2.241 ( 0.000 8.666 -0.517) 8.682 3.139 ( 0.000 1.780 0.430) 1.831 3.271 ( 0.000 8.269 4.330) 9.334 4.186 ( 0.000 -5.269 3.906) 6.559 4.699 ( -0.000 5.937 -5.124) 7.842 6.128 ( 0.000 4.190 -0.303) 4.201 6.373 ( 0.000 5.559 -0.259) 5.565 6.466 ( 0.000 2.726 0.158) 2.730 6.909 ( 0.000 -8.070 4.608) 9.293 7.309 ( -0.000 -5.279 -4.059) 6.659 8.383 ( -0.000 1.967 -1.069) 2.239======================= Grid point 1209 (317/344) =======================q-point: ( 0.33 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.016 ( 0.000 -0.000 14.911) 14.911 1.016 ( 0.000 -0.000 14.911) 14.911 1.752 ( 0.000 -0.000 27.935) 27.935 2.865 ( -0.000 0.000 -3.652) 3.652 2.865 ( -0.000 0.000 -3.652) 3.652 4.936 ( -0.000 0.000 -15.530) 15.530 5.346 ( -0.000 0.000 -2.240) 2.240 5.346 ( -0.000 0.000 -2.240) 2.240 6.598 ( 0.000 -0.000 1.482) 1.482 6.598 ( 0.000 -0.000 1.482) 1.482 8.510 ( 0.000 -0.000 7.274) 7.274 8.796 ( -0.000 0.000 -3.906) 3.906======================= Grid point 1210 (318/344) =======================q-point: ( 0.40 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.052 ( 2.959 1.709 14.497) 14.895 1.265 ( 12.665 7.312 13.454) 19.872 1.817 ( -0.528 -0.305 14.525) 14.538 2.884 ( 1.776 1.025 -3.622) 4.162 2.970 ( 10.980 6.339 0.551) 12.690 4.702 ( -7.381 -4.262 -8.468) 12.015 5.393 ( 3.621 2.090 -2.756) 5.007 5.846 ( 32.083 18.523 -11.770) 38.871 6.574 ( -1.920 -1.109 1.733) 2.814 6.586 ( -1.984 -1.145 0.660) 2.384 8.471 ( -5.121 -2.957 7.146) 9.275 8.724 ( -5.429 -3.134 -4.246) 7.571======================= Grid point 1211 (319/344) =======================q-point: ( 0.47 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.225 ( 8.509 4.913 11.429) 15.072 1.545 ( 4.424 2.554 21.342) 21.945 1.914 ( 12.146 7.013 -8.397) 16.347 2.921 ( 2.499 1.443 -3.302) 4.385 3.317 ( 17.565 10.141 4.346) 20.743 4.587 ( -1.673 -0.966 -6.195) 6.489 5.492 ( 6.001 3.465 -3.122) 7.601 6.470 ( 19.085 11.019 -9.062) 23.828 6.527 ( -2.661 -1.536 1.959) 3.644 6.528 ( 2.893 1.670 -1.639) 3.721 8.335 ( -8.770 -5.063 6.691) 12.137 8.537 ( -9.443 -5.452 -4.258) 11.706======================= Grid point 1212 (320/344) =======================q-point: ( 0.53 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.484 ( 11.491 6.634 7.826) 15.404 1.644 ( 2.518 1.454 13.375) 13.687 2.284 ( 20.017 11.557 -6.369) 23.975 2.974 ( 2.954 1.705 -2.763) 4.389 3.720 ( 16.355 9.442 3.063) 19.132 4.564 ( 0.639 0.369 -3.967) 4.035 5.640 ( 7.998 4.617 -3.150) 9.757 6.413 ( -4.388 -2.534 -0.250) 5.073 6.474 ( -2.458 -1.419 2.084) 3.521 6.917 ( 14.467 8.353 -7.888) 18.474 8.102 ( -13.613 -7.860 2.183) 15.870 8.338 ( -6.164 -3.559 0.903) 7.174======================= Grid point 1213 (321/344) =======================q-point: ( 0.60 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.770 ( 11.928 6.887 4.787) 14.581 1.776 ( 6.005 3.467 8.036) 10.614 2.707 ( 18.155 10.482 -2.945) 21.170 3.034 ( 3.037 1.753 -2.082) 4.078 4.042 ( 11.400 6.582 1.437) 13.242 4.575 ( 0.925 0.534 -3.032) 3.215 5.823 ( 8.810 5.087 -2.698) 10.525 6.330 ( -2.562 -1.479 -0.094) 2.960 6.436 ( -1.346 -0.777 1.965) 2.505 7.086 ( 3.095 1.787 -7.166) 8.008 7.771 ( -14.972 -8.644 0.130) 17.288 8.282 ( -0.100 -0.058 4.644) 4.645======================= Grid point 1214 (322/344) =======================q-point: ( 0.67 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.940 ( 6.432 3.713 4.407) 8.636 2.034 ( 10.375 5.990 2.420) 12.222 3.054 ( 13.102 7.565 -2.486) 15.332 3.094 ( 2.601 1.502 -1.296) 3.271 4.220 ( 3.369 1.945 0.195) 3.895 4.596 ( 2.532 1.462 -1.420) 3.250 6.003 ( 7.397 4.271 -1.578) 8.686 6.309 ( 0.872 0.503 -0.023) 1.007 6.430 ( 0.482 0.279 1.297) 1.411 7.050 ( -3.623 -2.092 -6.361) 7.614 7.474 ( -11.067 -6.390 2.378) 12.998 8.328 ( 2.306 1.331 3.577) 4.459======================= Grid point 1225 (323/344) =======================q-point: ( 0.40 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.197 ( 0.000 12.461 14.400) 19.043 1.214 ( 0.000 8.392 7.141) 11.019 1.898 ( 0.000 1.431 13.373) 13.450 2.841 ( -0.000 0.569 -2.259) 2.329 2.978 ( 0.000 11.663 -0.091) 11.663 4.681 ( -0.000 -8.130 -8.100) 11.476 5.344 ( -0.000 2.157 -0.700) 2.268 5.833 ( -0.000 35.839 -10.347) 37.303 6.570 ( 0.000 -3.120 1.370) 3.408 6.599 ( 0.000 -1.147 0.624) 1.306 8.486 ( 0.000 -6.877 6.879) 9.727 8.725 ( -0.000 -4.228 -4.802) 6.398======================= Grid point 1226 (324/344) =======================q-point: ( 0.47 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.275 ( -0.187 11.347 8.322) 14.073 1.528 ( 11.244 10.951 13.203) 20.510 1.903 ( -2.941 6.371 -2.055) 7.312 2.885 ( 3.220 1.790 -2.486) 4.444 3.197 ( 10.075 14.090 3.866) 17.748 4.580 ( -1.629 -2.935 -5.613) 6.541 5.423 ( 4.946 3.702 -1.192) 6.292 6.286 ( 15.837 27.633 -8.931) 33.078 6.524 ( -1.681 -4.242 1.052) 4.682 6.569 ( -1.846 -1.305 0.409) 2.297 8.391 ( -3.942 -9.535 6.473) 12.181 8.607 ( -6.219 -5.525 -5.278) 9.852======================= Grid point 1227 (325/344) =======================q-point: ( 0.53 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.456 ( 5.396 11.240 5.948) 13.814 1.731 ( -0.931 5.927 13.882) 15.123 2.098 ( 14.537 16.801 -7.626) 23.489 2.950 ( 2.422 3.390 -2.736) 4.985 3.556 ( 14.689 11.697 2.968) 19.011 4.541 ( 0.372 -0.626 -3.360) 3.438 5.562 ( 6.502 6.049 -1.994) 9.102 6.439 ( -3.154 -4.535 0.391) 5.538 6.514 ( -2.231 -0.776 0.752) 2.479 6.754 ( 14.462 15.268 -5.899) 21.842 8.210 ( -8.223 -10.840 3.891) 14.152 8.410 ( -7.598 -5.271 -2.410) 9.556======================= Grid point 1228 (326/344) =======================q-point: ( 0.60 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.684 ( 7.620 8.616 3.909) 12.148 1.846 ( 1.071 12.294 9.294) 15.449 2.523 ( 17.152 15.403 -2.441) 23.182 3.017 ( 2.053 4.236 -2.368) 5.270 3.895 ( 13.308 7.405 0.292) 15.232 4.544 ( 1.207 -0.583 -2.453) 2.796 5.742 ( 7.419 7.856 -2.298) 11.048 6.346 ( -2.670 -3.826 0.220) 4.671 6.477 ( -2.153 0.500 1.311) 2.570 7.015 ( 6.399 5.195 -5.382) 9.843 7.923 ( -13.224 -10.153 -0.323) 16.676 8.291 ( -1.557 -3.407 3.680) 5.251======================= Grid point 1229 (327/344) =======================q-point: ( 0.67 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.888 ( 6.643 6.261 3.640) 9.827 2.049 ( 3.206 15.233 6.255) 16.777 2.918 ( 13.578 12.113 -1.132) 18.231 3.086 ( 1.723 4.903 -1.862) 5.520 4.137 ( 8.882 2.775 -0.008) 9.306 4.546 ( 1.751 -1.533 -3.275) 4.018 5.940 ( 6.991 8.473 -2.065) 11.177 6.290 ( -0.205 -2.331 0.250) 2.354 6.465 ( -1.429 2.464 1.405) 3.176 7.056 ( -1.026 -0.871 -5.231) 5.401 7.611 ( -12.409 -7.844 0.596) 14.692 8.295 ( 2.652 -1.821 4.564) 5.584======================= Grid point 1241 (328/344) =======================q-point: ( 0.47 0.47 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.416 ( 0.000 10.324 -0.775) 10.353 1.577 ( 0.000 14.420 14.042) 20.127 1.999 ( -0.000 9.677 -8.573) 12.928 2.863 ( 0.000 2.336 0.082) 2.338 3.291 ( 0.000 17.749 5.478) 18.576 4.550 ( -0.000 -2.361 -3.853) 4.519 5.424 ( 0.000 5.880 1.207) 6.002 6.419 ( -0.000 27.751 -6.291) 28.455 6.499 ( 0.000 -4.253 1.358) 4.465 6.564 ( -0.000 -2.344 -0.479) 2.393 8.331 ( 0.000 -12.832 5.810) 14.086 8.588 ( -0.000 -5.874 -6.639) 8.865======================= Grid point 1242 (329/344) =======================q-point: ( 0.53 0.47 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.522 ( 1.616 11.417 -0.669) 11.550 1.786 ( 5.203 6.742 7.824) 11.565 2.116 ( 3.176 20.569 -9.215) 22.761 2.925 ( 3.337 3.149 -0.394) 4.605 3.532 ( 5.559 16.766 5.311) 18.445 4.524 ( -0.103 -0.708 -1.547) 1.704 5.534 ( 4.270 7.648 0.980) 8.814 6.436 ( -1.809 -5.095 0.728) 5.456 6.529 ( -0.857 -1.612 -0.720) 1.963 6.721 ( 7.384 18.673 -2.511) 20.237 8.189 ( -2.812 -14.328 4.760) 15.358 8.461 ( -5.448 -5.409 -6.457) 10.032======================= Grid point 1243 (330/344) =======================q-point: ( 0.60 0.47 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.683 ( 4.643 10.205 0.057) 11.212 1.953 ( 4.375 10.974 3.222) 12.245 2.443 ( 11.488 20.826 -2.512) 23.917 3.015 ( 3.043 4.366 -1.041) 5.423 3.799 ( 7.733 11.626 1.676) 14.063 4.520 ( 0.282 -0.610 -0.275) 0.726 5.709 ( 6.184 9.489 -0.087) 11.326 6.351 ( -2.554 -4.479 0.327) 5.166 6.505 ( -0.556 -0.258 -0.076) 0.618 6.963 ( 5.568 8.042 -1.524) 9.899 7.985 ( -6.797 -13.544 1.729) 15.252 8.306 ( -4.478 -3.850 -2.104) 6.269======================= Grid point 1244 (331/344) =======================q-point: ( 0.67 0.47 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.867 ( 5.738 8.853 1.324) 10.633 2.173 ( 4.345 15.713 3.794) 16.739 2.834 ( 12.430 16.699 -0.252) 20.819 3.106 ( 2.314 6.147 -1.103) 6.660 4.017 ( 8.090 5.469 -0.499) 9.778 4.505 ( -0.290 -2.346 -1.440) 2.768 5.915 ( 6.565 10.521 -0.893) 12.433 6.279 ( -1.413 -2.992 0.185) 3.314 6.508 ( -0.226 2.144 0.555) 2.226 7.046 ( 0.375 0.515 -2.089) 2.184 7.720 ( -10.100 -10.373 -0.328) 14.482 8.246 ( 0.893 -2.935 2.395) 3.892======================= Grid point 1257 (332/344) =======================q-point: ( 0.53 0.53 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.611 ( -0.000 11.813 -5.218) 12.914 1.798 ( -0.000 4.790 -1.079) 4.910 2.277 ( -0.000 23.001 -7.108) 24.074 2.928 ( 0.000 3.567 1.861) 4.024 3.689 ( 0.000 18.458 6.185) 19.467 4.521 ( 0.000 -0.117 0.658) 0.669 5.584 ( 0.000 9.081 2.709) 9.476 6.405 ( 0.000 -4.866 0.662) 4.911 6.509 ( -0.000 -2.534 -1.551) 2.971 6.833 ( 0.000 15.335 0.897) 15.362 8.074 ( 0.000 -16.211 3.815) 16.654 8.436 ( -0.000 -4.548 -8.003) 9.205======================= Grid point 1258 (333/344) =======================q-point: ( 0.60 0.53 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.721 ( 1.870 10.731 -4.070) 11.628 1.915 ( 8.621 7.494 -5.541) 12.696 2.522 ( 4.325 22.614 -2.369) 23.145 2.999 ( 3.024 3.884 1.520) 5.151 3.880 ( 0.521 15.416 3.466) 15.809 4.522 ( -0.463 -0.023 2.265) 2.312 5.721 ( 3.929 10.243 2.264) 11.202 6.346 ( -1.764 -4.136 0.225) 4.502 6.490 ( 0.924 -1.449 -1.398) 2.215 6.978 ( 2.218 7.487 2.585) 8.225 7.910 ( -1.661 -16.136 2.329) 16.388 8.339 ( -3.938 -2.470 -6.597) 8.070======================= Grid point 1273 (334/344) =======================q-point: (-0.40 -0.40 -0.67)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.816 ( -0.000 12.622 -5.181) 13.644 1.854 ( -0.000 5.699 -8.756) 10.448 2.696 ( 0.000 20.948 -0.710) 20.960 3.015 ( 0.000 3.815 2.171) 4.389 4.040 ( 0.000 13.931 1.973) 14.070 4.541 ( 0.000 0.648 4.137) 4.188 5.796 ( 0.000 10.484 3.076) 10.926 6.329 ( -0.000 -2.863 0.204) 2.870 6.455 ( -0.000 -1.644 -2.126) 2.688 7.030 ( 0.000 3.403 5.015) 6.061 7.767 ( -0.000 -16.265 0.919) 16.291 8.337 ( -0.000 -0.567 -7.004) 7.027======================= Grid point 1451 (335/344) =======================q-point: ( 0.40 0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.129 ( 0.000 -0.000 9.625) 9.625 1.129 ( 0.000 -0.000 9.625) 9.625 1.968 ( 0.000 -0.000 18.807) 18.807 2.835 ( -0.000 0.000 -2.719) 2.719 2.835 ( -0.000 0.000 -2.719) 2.719 4.809 ( -0.000 0.000 -11.495) 11.495 5.329 ( -0.000 0.000 -1.490) 1.490 5.329 ( -0.000 0.000 -1.490) 1.490 6.609 ( 0.000 -0.000 0.979) 0.979 6.609 ( 0.000 -0.000 0.979) 0.979 8.574 ( 0.000 -0.000 6.770) 6.770 8.757 ( -0.000 0.000 -4.556) 4.556======================= Grid point 1452 (336/344) =======================q-point: ( 0.47 0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.166 ( 3.039 1.755 10.268) 10.851 1.353 ( 14.404 8.316 5.559) 17.537 1.926 ( -6.996 -4.039 9.297) 12.317 2.853 ( 1.708 0.986 -2.915) 3.519 2.979 ( 12.897 7.446 1.047) 14.929 4.634 ( -6.327 -3.653 -5.934) 9.412 5.369 ( 3.306 1.909 -2.281) 4.447 5.767 ( 30.050 17.350 -5.558) 35.141 6.588 ( -1.741 -1.005 1.335) 2.413 6.589 ( -2.260 -1.305 0.112) 2.612 8.534 ( -5.145 -2.970 6.327) 8.679 8.683 ( -5.437 -3.139 -4.595) 7.780======================= Grid point 1453 (337/344) =======================q-point: ( 0.53 0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.320 ( 7.726 4.461 9.094) 12.740 1.730 ( 7.617 4.398 18.449) 20.439 1.823 ( 7.182 4.146 -10.919) 13.711 2.893 ( 2.569 1.483 -2.850) 4.114 3.343 ( 17.633 10.181 0.973) 20.384 4.542 ( -1.177 -0.680 -3.380) 3.643 5.464 ( 5.826 3.364 -2.897) 7.325 6.404 ( 24.321 14.042 -4.750) 28.483 6.520 ( -2.243 -1.295 -0.812) 2.714 6.544 ( -2.515 -1.452 1.678) 3.354 8.384 ( -9.924 -5.730 3.001) 11.846 8.508 ( -8.040 -4.642 -1.010) 9.338======================= Grid point 1454 (338/344) =======================q-point: ( 0.60 0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.553 ( 10.464 6.041 7.140) 14.035 1.751 ( 1.062 0.613 9.046) 9.128 2.248 ( 21.187 12.232 -0.847) 24.479 2.949 ( 3.132 1.808 -2.584) 4.445 3.727 ( 16.084 9.286 -1.754) 18.655 4.534 ( 0.777 0.449 -2.444) 2.603 5.611 ( 8.021 4.631 -3.185) 9.794 6.410 ( -4.287 -2.475 -0.406) 4.967 6.493 ( -2.383 -1.376 1.969) 3.383 6.859 ( 14.219 8.209 -4.719) 17.083 8.102 ( -14.477 -8.358 -1.962) 16.832 8.371 ( -4.595 -2.653 5.806) 7.865======================= Grid point 1467 (339/344) =======================q-point: ( 0.47 0.47 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.253 ( 0.000 6.230 1.257) 6.355 1.309 ( 0.000 14.013 9.585) 16.977 1.980 ( 0.000 -5.415 4.526) 7.057 2.828 ( -0.000 1.122 -0.492) 1.225 2.982 ( 0.000 14.045 0.652) 14.060 4.620 ( -0.000 -6.911 -4.724) 8.372 5.343 ( 0.000 2.721 0.413) 2.752 5.763 ( -0.000 34.079 -4.931) 34.434 6.581 ( 0.000 -3.063 1.010) 3.226 6.602 ( -0.000 -1.437 -0.064) 1.438 8.545 ( 0.000 -6.980 5.730) 9.031 8.679 ( -0.000 -4.707 -4.864) 6.769======================= Grid point 1468 (340/344) =======================q-point: ( 0.53 0.47 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.329 ( 2.206 8.342 3.153) 9.187 1.620 ( 13.053 16.010 5.860) 21.472 1.878 ( -5.356 -1.931 -2.289) 6.136 2.869 ( 2.172 2.352 -0.970) 3.345 3.224 ( 9.760 15.462 1.687) 18.362 4.543 ( -1.331 -2.269 -2.191) 3.423 5.415 ( 3.633 4.584 -0.417) 5.864 6.232 ( 16.063 27.949 -2.979) 32.373 6.531 ( -2.064 -4.151 0.423) 4.655 6.571 ( -1.364 -1.606 0.097) 2.109 8.442 ( -4.455 -9.655 3.851) 11.309 8.564 ( -5.183 -6.181 -3.449) 8.773======================= Grid point 1469 (341/344) =======================q-point: ( 0.60 0.47 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.502 ( 6.641 8.632 3.808) 11.538 1.817 ( -1.592 4.003 2.950) 5.221 2.059 ( 17.330 17.281 1.124) 24.500 2.930 ( 1.973 3.766 -1.456) 4.494 3.564 ( 13.289 12.380 -1.416) 18.218 4.521 ( 0.236 -0.124 -0.903) 0.942 5.546 ( 5.556 6.857 -1.611) 8.971 6.440 ( -3.403 -4.252 -0.154) 5.448 6.522 ( -1.461 -1.185 0.828) 2.055 6.718 ( 13.667 15.763 -1.818) 20.942 8.221 ( -10.464 -10.383 -1.556) 14.823 8.413 ( -4.081 -6.363 3.219) 8.216======================= Grid point 1483 (342/344) =======================q-point: ( 0.53 0.53 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.387 ( -0.000 9.129 -5.367) 10.590 1.704 ( 0.000 14.445 13.346) 19.667 1.891 ( -0.000 4.371 -14.724) 15.359 2.871 ( 0.000 2.783 1.711) 3.267 3.332 ( 0.000 19.422 3.145) 19.675 4.529 ( -0.000 -1.435 -0.562) 1.541 5.440 ( 0.000 6.358 2.219) 6.734 6.386 ( 0.000 28.522 -0.840) 28.534 6.511 ( 0.000 -3.726 1.152) 3.900 6.557 ( -0.000 -2.648 -1.152) 2.888 8.377 ( 0.000 -13.020 3.830) 13.572 8.531 ( -0.000 -6.918 -5.285) 8.706======================= Grid point 1694 (343/344) =======================q-point: ( 0.47 0.47 0.47)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.189 ( 0.000 -0.000 3.344) 3.344 1.189 ( 0.000 -0.000 3.344) 3.344 2.087 ( 0.000 -0.000 6.722) 6.722 2.818 ( -0.000 0.000 -1.016) 1.016 2.818 ( -0.000 0.000 -1.016) 1.016 4.735 ( -0.000 0.000 -4.307) 4.307 5.320 ( -0.000 0.000 -0.522) 0.522 5.320 ( -0.000 0.000 -0.522) 0.522 6.615 ( 0.000 -0.000 0.341) 0.341 6.615 ( 0.000 -0.000 0.341) 0.341 8.629 ( 0.000 -0.000 4.438) 4.438 8.717 ( -0.000 0.000 -3.668) 3.668======================= Grid point 1695 (344/344) =======================q-point: ( 0.53 0.47 0.47)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 7.23e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.236 ( 3.913 2.259 4.824) 6.609 1.366 ( 13.888 8.018 -2.670) 16.258 1.984 ( -8.150 -4.705 3.203) 9.941 2.833 ( 1.423 0.822 -1.434) 2.181 2.985 ( 13.327 7.695 0.138) 15.390 4.601 ( -5.722 -3.304 -0.807) 6.657 5.352 ( 2.861 1.652 -1.456) 3.610 5.741 ( 29.150 16.830 -0.165) 33.660 6.588 ( -2.492 -1.439 -0.482) 2.918 6.598 ( -1.505 -0.869 0.747) 1.891 8.575 ( -5.626 -3.248 1.003) 6.573 8.652 ( -4.823 -2.785 -0.562) 5.597=================== End of collection of collisions ===================----------- Thermal conductivity (W/m-k) with tetrahedron method -----------# T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/40500 10.0 817.312 817.312 2475.412 -0.000 0.000 0.000 3/40500 20.0 316.900 316.900 492.556 -0.000 0.000 0.000 3/40500 30.0 139.036 139.036 133.005 -0.000 0.000 0.000 3/40500 40.0 83.495 83.495 58.777 -0.000 0.000 0.000 3/40500 50.0 57.260 57.260 34.516 -0.000 0.000 0.000 3/40500 60.0 42.234 42.234 23.630 -0.000 0.000 0.000 3/40500 70.0 32.881 32.881 17.735 -0.000 0.000 0.000 3/40500 80.0 26.701 26.701 14.134 -0.000 0.000 0.000 3/40500 90.0 22.403 22.403 11.742 -0.000 0.000 0.000 3/40500 100.0 19.280 19.280 10.050 -0.000 0.000 0.000 3/40500 110.0 16.924 16.924 8.795 -0.000 0.000 0.000 3/40500 120.0 15.090 15.090 7.829 -0.000 0.000 0.000 3/40500 130.0 13.624 13.624 7.061 -0.000 0.000 0.000 3/40500 140.0 12.426 12.426 6.437 -0.000 0.000 0.000 3/40500 150.0 11.429 11.429 5.919 -0.000 0.000 0.000 3/40500 160.0 10.587 10.587 5.482 -0.000 0.000 0.000 3/40500 170.0 9.864 9.864 5.108 -0.000 0.000 0.000 3/40500 180.0 9.238 9.238 4.784 -0.000 0.000 0.000 3/40500 190.0 8.689 8.689 4.500 -0.000 0.000 0.000 3/40500 200.0 8.205 8.205 4.249 -0.000 0.000 0.000 3/40500 210.0 7.774 7.774 4.026 -0.000 0.000 0.000 3/40500 220.0 7.387 7.387 3.826 -0.000 0.000 0.000 3/40500 230.0 7.038 7.038 3.646 -0.000 0.000 0.000 3/40500 240.0 6.722 6.722 3.482 -0.000 0.000 0.000 3/40500 250.0 6.434 6.434 3.333 -0.000 0.000 0.000 3/40500 260.0 6.170 6.170 3.196 -0.000 0.000 0.000 3/40500 270.0 5.927 5.927 3.071 -0.000 0.000 0.000 3/40500 280.0 5.704 5.704 2.955 -0.000 0.000 0.000 3/40500 290.0 5.497 5.497 2.848 -0.000 0.000 0.000 3/40500 300.0 5.305 5.305 2.748 -0.000 0.000 0.000 3/40500 310.0 5.126 5.126 2.656 -0.000 0.000 0.000 3/40500 320.0 4.959 4.959 2.570 -0.000 0.000 0.000 3/40500 330.0 4.803 4.803 2.489 -0.000 0.000 0.000 3/40500 340.0 4.657 4.657 2.413 -0.000 0.000 0.000 3/40500 350.0 4.519 4.519 2.342 -0.000 0.000 0.000 3/40500 360.0 4.390 4.390 2.274 -0.000 0.000 0.000 3/40500 370.0 4.268 4.268 2.211 -0.000 0.000 0.000 3/40500 380.0 4.152 4.152 2.151 -0.000 0.000 0.000 3/40500 390.0 4.043 4.043 2.095 -0.000 0.000 0.000 3/40500 400.0 3.939 3.939 2.041 -0.000 0.000 0.000 3/40500 410.0 3.841 3.841 1.990 -0.000 0.000 0.000 3/40500 420.0 3.748 3.748 1.942 -0.000 0.000 0.000 3/40500 430.0 3.659 3.659 1.896 -0.000 0.000 0.000 3/40500 440.0 3.574 3.574 1.852 -0.000 0.000 0.000 3/40500 450.0 3.493 3.493 1.810 -0.000 0.000 0.000 3/40500 460.0 3.416 3.416 1.770 -0.000 0.000 0.000 3/40500 470.0 3.342 3.342 1.731 -0.000 0.000 0.000 3/40500 480.0 3.271 3.271 1.695 -0.000 0.000 0.000 3/40500 490.0 3.203 3.203 1.660 -0.000 0.000 0.000 3/40500 500.0 3.138 3.138 1.626 -0.000 0.000 0.000 3/40500 510.0 3.076 3.076 1.594 -0.000 0.000 0.000 3/40500 520.0 3.016 3.016 1.563 -0.000 0.000 0.000 3/40500 530.0 2.958 2.958 1.533 -0.000 0.000 0.000 3/40500 540.0 2.903 2.903 1.504 -0.000 0.000 0.000 3/40500 550.0 2.850 2.850 1.476 -0.000 0.000 0.000 3/40500 560.0 2.798 2.798 1.450 -0.000 0.000 0.000 3/40500 570.0 2.749 2.749 1.424 -0.000 0.000 0.000 3/40500 580.0 2.701 2.701 1.399 -0.000 0.000 0.000 3/40500 590.0 2.655 2.655 1.375 -0.000 0.000 0.000 3/40500 600.0 2.610 2.610 1.352 -0.000 0.000 0.000 3/40500 610.0 2.567 2.567 1.330 -0.000 0.000 0.000 3/40500 620.0 2.525 2.525 1.308 -0.000 0.000 0.000 3/40500 630.0 2.485 2.485 1.287 -0.000 0.000 0.000 3/40500 640.0 2.446 2.446 1.267 -0.000 0.000 0.000 3/40500 650.0 2.408 2.408 1.247 -0.000 0.000 0.000 3/40500 660.0 2.371 2.371 1.228 -0.000 0.000 0.000 3/40500 670.0 2.335 2.335 1.210 -0.000 0.000 0.000 3/40500 680.0 2.301 2.301 1.192 -0.000 0.000 0.000 3/40500 690.0 2.267 2.267 1.174 -0.000 0.000 0.000 3/40500 700.0 2.235 2.235 1.158 -0.000 0.000 0.000 3/40500 710.0 2.203 2.203 1.141 -0.000 0.000 0.000 3/40500 720.0 2.172 2.172 1.125 -0.000 0.000 0.000 3/40500 730.0 2.142 2.142 1.110 -0.000 0.000 0.000 3/40500 740.0 2.113 2.113 1.095 -0.000 0.000 0.000 3/40500 750.0 2.085 2.085 1.080 -0.000 0.000 0.000 3/40500 760.0 2.057 2.057 1.066 -0.000 0.000 0.000 3/40500 770.0 2.031 2.031 1.052 -0.000 0.000 0.000 3/40500 780.0 2.004 2.004 1.038 -0.000 0.000 0.000 3/40500 790.0 1.979 1.979 1.025 -0.000 0.000 0.000 3/40500 800.0 1.954 1.954 1.012 -0.000 0.000 0.000 3/40500 810.0 1.930 1.930 1.000 -0.000 0.000 0.000 3/40500 820.0 1.906 1.906 0.987 -0.000 0.000 0.000 3/40500 830.0 1.883 1.883 0.975 -0.000 0.000 0.000 3/40500 840.0 1.861 1.861 0.964 -0.000 0.000 0.000 3/40500 850.0 1.839 1.839 0.952 -0.000 0.000 0.000 3/40500 860.0 1.817 1.817 0.941 -0.000 0.000 0.000 3/40500 870.0 1.796 1.796 0.930 -0.000 0.000 0.000 3/40500 880.0 1.776 1.776 0.920 -0.000 0.000 0.000 3/40500 890.0 1.756 1.756 0.909 -0.000 0.000 0.000 3/40500 900.0 1.736 1.736 0.899 -0.000 0.000 0.000 3/40500 910.0 1.717 1.717 0.889 -0.000 0.000 0.000 3/40500 920.0 1.699 1.699 0.880 -0.000 0.000 0.000 3/40500 930.0 1.680 1.680 0.870 -0.000 0.000 0.000 3/40500 940.0 1.662 1.662 0.861 -0.000 0.000 0.000 3/40500 950.0 1.645 1.645 0.852 -0.000 0.000 0.000 3/40500 960.0 1.628 1.628 0.843 -0.000 0.000 0.000 3/40500 970.0 1.611 1.611 0.834 -0.000 0.000 0.000 3/40500 980.0 1.594 1.594 0.826 -0.000 0.000 0.000 3/40500 990.0 1.578 1.578 0.817 -0.000 0.000 0.000 3/40500 1000.0 1.562 1.562 0.809 -0.000 0.000 0.000 3/40500Thermal conductivity related properties were written into "kappa-m151515.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 20:07:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|