# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/615baeb1-7e9c-4dd8-ac70-272f1fea88ba/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 RbPrS2 / R-3m (166) / materials id 9362](https://mdr.nims.go.jp/datasets/8dd41754-3cea-4c93-b768-1afbe0bfa968) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-07 23:18:19]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)Number of symmetry operations in supercell: 324------------------------------ primitive cell ------------------------------Lattice vectors: a 2.102168688449706 1.213687658158438 7.607626993333326 b -2.102168688449702 1.213687658158438 7.607626993333326 c 0.000000000000002 -2.427375316316880 7.607626993333326Atomic positions (fractional): *1 S 0.76690010805085 0.76690010805085 0.76690010805085 32.065 2 S 0.23309989194916 0.23309989194916 0.23309989194916 32.065 *3 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 *4 Pr 0.50000000000000 0.50000000000000 0.50000000000000 140.908-------------------------------- unit cell ---------------------------------Lattice vectors: a 4.204337376899408 0.000000000000000 0.000000000000000 b -2.102168688449704 3.641062974475318 0.000000000000000 c 0.000000000000000 0.000000000000000 22.822880980000001Atomic positions (fractional): *1 S 0.66666666666667 0.33333333333333 0.10023344138418 32.065 > 1 2 S 0.00000000000000 0.00000000000000 0.23309989194916 32.065 > 2 3 S 0.33333333333333 0.66666666666667 0.43356677471751 32.065 > 1 4 S 0.66666666666667 0.33333333333333 0.56643322528249 32.065 > 2 5 S 0.00000000000000 0.00000000000000 0.76690010805084 32.065 > 1 6 S 0.33333333333333 0.66666666666667 0.89976655861582 32.065 > 2 *7 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 3 8 Rb 0.66666666666667 0.33333333333333 0.33333333333333 85.468 > 3 9 Rb 0.33333333333333 0.66666666666667 0.66666666666667 85.468 > 3 *10 Pr 0.33333333333333 0.66666666666667 0.16666666666667 140.908 > 4 11 Pr 0.00000000000000 0.00000000000000 0.50000000000000 140.908 > 4 12 Pr 0.66666666666667 0.33333333333333 0.83333333333333 140.908 > 4-------------------------------- super cell --------------------------------Lattice vectors: a 12.613012130698225 0.000000000000000 0.000000000000000 b -6.306506065349113 10.923188923425954 0.000000000000000 c 0.000000000000000 0.000000000000000 22.822880980000001Atomic positions (fractional): *1 S 0.22222222222222 0.11111111111111 0.10023344138418 32.065 > 1 2 S 0.55555555555556 0.11111111111111 0.10023344138418 32.065 > 1 3 S 0.88888888888889 0.11111111111111 0.10023344138418 32.065 > 1 4 S 0.22222222222222 0.44444444444444 0.10023344138418 32.065 > 1 5 S 0.55555555555556 0.44444444444444 0.10023344138418 32.065 > 1 6 S 0.88888888888889 0.44444444444444 0.10023344138418 32.065 > 1 7 S 0.22222222222222 0.77777777777778 0.10023344138418 32.065 > 1 8 S 0.55555555555556 0.77777777777778 0.10023344138418 32.065 > 1 9 S 0.88888888888889 0.77777777777778 0.10023344138418 32.065 > 1 10 S 0.00000000000000 0.00000000000000 0.23309989194916 32.065 > 2 11 S 0.33333333333333 0.00000000000000 0.23309989194916 32.065 > 2 12 S 0.66666666666667 0.00000000000000 0.23309989194916 32.065 > 2 13 S 0.00000000000000 0.33333333333333 0.23309989194916 32.065 > 2 14 S 0.33333333333333 0.33333333333333 0.23309989194916 32.065 > 2 15 S 0.66666666666667 0.33333333333333 0.23309989194916 32.065 > 2 16 S 0.00000000000000 0.66666666666667 0.23309989194916 32.065 > 2 17 S 0.33333333333333 0.66666666666667 0.23309989194916 32.065 > 2 18 S 0.66666666666667 0.66666666666667 0.23309989194916 32.065 > 2 19 S 0.11111111111111 0.22222222222222 0.43356677471751 32.065 > 1 20 S 0.44444444444444 0.22222222222222 0.43356677471751 32.065 > 1 21 S 0.77777777777778 0.22222222222222 0.43356677471751 32.065 > 1 22 S 0.11111111111111 0.55555555555556 0.43356677471751 32.065 > 1 23 S 0.44444444444444 0.55555555555556 0.43356677471751 32.065 > 1 24 S 0.77777777777778 0.55555555555556 0.43356677471751 32.065 > 1 25 S 0.11111111111111 0.88888888888889 0.43356677471751 32.065 > 1 26 S 0.44444444444444 0.88888888888889 0.43356677471751 32.065 > 1 27 S 0.77777777777778 0.88888888888889 0.43356677471751 32.065 > 1 28 S 0.22222222222222 0.11111111111111 0.56643322528249 32.065 > 2 29 S 0.55555555555556 0.11111111111111 0.56643322528249 32.065 > 2 30 S 0.88888888888889 0.11111111111111 0.56643322528249 32.065 > 2 31 S 0.22222222222222 0.44444444444444 0.56643322528249 32.065 > 2 32 S 0.55555555555556 0.44444444444444 0.56643322528249 32.065 > 2 33 S 0.88888888888889 0.44444444444444 0.56643322528249 32.065 > 2 34 S 0.22222222222222 0.77777777777778 0.56643322528249 32.065 > 2 35 S 0.55555555555556 0.77777777777778 0.56643322528249 32.065 > 2 36 S 0.88888888888889 0.77777777777778 0.56643322528249 32.065 > 2 37 S 0.00000000000000 0.00000000000000 0.76690010805084 32.065 > 1 38 S 0.33333333333333 0.00000000000000 0.76690010805084 32.065 > 1 39 S 0.66666666666667 0.00000000000000 0.76690010805084 32.065 > 1 40 S 0.00000000000000 0.33333333333333 0.76690010805084 32.065 > 1 41 S 0.33333333333333 0.33333333333333 0.76690010805084 32.065 > 1 42 S 0.66666666666667 0.33333333333333 0.76690010805084 32.065 > 1 43 S 0.00000000000000 0.66666666666667 0.76690010805084 32.065 > 1 44 S 0.33333333333333 0.66666666666667 0.76690010805084 32.065 > 1 45 S 0.66666666666667 0.66666666666667 0.76690010805084 32.065 > 1 46 S 0.11111111111111 0.22222222222222 0.89976655861582 32.065 > 2 47 S 0.44444444444444 0.22222222222222 0.89976655861582 32.065 > 2 48 S 0.77777777777778 0.22222222222222 0.89976655861582 32.065 > 2 49 S 0.11111111111111 0.55555555555556 0.89976655861582 32.065 > 2 50 S 0.44444444444444 0.55555555555556 0.89976655861582 32.065 > 2 51 S 0.77777777777778 0.55555555555556 0.89976655861582 32.065 > 2 52 S 0.11111111111111 0.88888888888889 0.89976655861582 32.065 > 2 53 S 0.44444444444444 0.88888888888889 0.89976655861582 32.065 > 2 54 S 0.77777777777778 0.88888888888889 0.89976655861582 32.065 > 2 *55 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 3 56 Rb 0.33333333333333 0.00000000000000 0.00000000000000 85.468 > 3 57 Rb 0.66666666666667 0.00000000000000 0.00000000000000 85.468 > 3 58 Rb 0.00000000000000 0.33333333333333 0.00000000000000 85.468 > 3 59 Rb 0.33333333333333 0.33333333333333 0.00000000000000 85.468 > 3 60 Rb 0.66666666666667 0.33333333333333 0.00000000000000 85.468 > 3 61 Rb 0.00000000000000 0.66666666666667 0.00000000000000 85.468 > 3 62 Rb 0.33333333333333 0.66666666666667 0.00000000000000 85.468 > 3 63 Rb 0.66666666666667 0.66666666666667 0.00000000000000 85.468 > 3 64 Rb 0.22222222222222 0.11111111111111 0.33333333333333 85.468 > 3 65 Rb 0.55555555555556 0.11111111111111 0.33333333333333 85.468 > 3 66 Rb 0.88888888888889 0.11111111111111 0.33333333333333 85.468 > 3 67 Rb 0.22222222222222 0.44444444444444 0.33333333333333 85.468 > 3 68 Rb 0.55555555555556 0.44444444444444 0.33333333333333 85.468 > 3 69 Rb 0.88888888888889 0.44444444444444 0.33333333333333 85.468 > 3 70 Rb 0.22222222222222 0.77777777777778 0.33333333333333 85.468 > 3 71 Rb 0.55555555555556 0.77777777777778 0.33333333333333 85.468 > 3 72 Rb 0.88888888888889 0.77777777777778 0.33333333333333 85.468 > 3 73 Rb 0.11111111111111 0.22222222222222 0.66666666666667 85.468 > 3 74 Rb 0.44444444444444 0.22222222222222 0.66666666666667 85.468 > 3 75 Rb 0.77777777777778 0.22222222222222 0.66666666666667 85.468 > 3 76 Rb 0.11111111111111 0.55555555555556 0.66666666666667 85.468 > 3 77 Rb 0.44444444444444 0.55555555555556 0.66666666666667 85.468 > 3 78 Rb 0.77777777777778 0.55555555555556 0.66666666666667 85.468 > 3 79 Rb 0.11111111111111 0.88888888888889 0.66666666666667 85.468 > 3 80 Rb 0.44444444444444 0.88888888888889 0.66666666666667 85.468 > 3 81 Rb 0.77777777777778 0.88888888888889 0.66666666666667 85.468 > 3 *82 Pr 0.11111111111111 0.22222222222222 0.16666666666667 140.908 > 4 83 Pr 0.44444444444444 0.22222222222222 0.16666666666667 140.908 > 4 84 Pr 0.77777777777778 0.22222222222222 0.16666666666667 140.908 > 4 85 Pr 0.11111111111111 0.55555555555556 0.16666666666667 140.908 > 4 86 Pr 0.44444444444444 0.55555555555556 0.16666666666667 140.908 > 4 87 Pr 0.77777777777778 0.55555555555556 0.16666666666667 140.908 > 4 88 Pr 0.11111111111111 0.88888888888889 0.16666666666667 140.908 > 4 89 Pr 0.44444444444444 0.88888888888889 0.16666666666667 140.908 > 4 90 Pr 0.77777777777778 0.88888888888889 0.16666666666667 140.908 > 4 91 Pr 0.00000000000000 0.00000000000000 0.50000000000000 140.908 > 4 92 Pr 0.33333333333333 0.00000000000000 0.50000000000000 140.908 > 4 93 Pr 0.66666666666667 0.00000000000000 0.50000000000000 140.908 > 4 94 Pr 0.00000000000000 0.33333333333333 0.50000000000000 140.908 > 4 95 Pr 0.33333333333333 0.33333333333333 0.50000000000000 140.908 > 4 96 Pr 0.66666666666667 0.33333333333333 0.50000000000000 140.908 > 4 97 Pr 0.00000000000000 0.66666666666667 0.50000000000000 140.908 > 4 98 Pr 0.33333333333333 0.66666666666667 0.50000000000000 140.908 > 4 99 Pr 0.66666666666667 0.66666666666667 0.50000000000000 140.908 > 4 100 Pr 0.22222222222222 0.11111111111111 0.83333333333333 140.908 > 4 101 Pr 0.55555555555556 0.11111111111111 0.83333333333333 140.908 > 4 102 Pr 0.88888888888889 0.11111111111111 0.83333333333333 140.908 > 4 103 Pr 0.22222222222222 0.44444444444444 0.83333333333333 140.908 > 4 104 Pr 0.55555555555556 0.44444444444444 0.83333333333333 140.908 > 4 105 Pr 0.88888888888889 0.44444444444444 0.83333333333333 140.908 > 4 106 Pr 0.22222222222222 0.77777777777778 0.83333333333333 140.908 > 4 107 Pr 0.55555555555556 0.77777777777778 0.83333333333333 140.908 > 4 108 Pr 0.88888888888889 0.77777777777778 0.83333333333333 140.908 > 4----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 5.6444594 0.0000000 0.0000000 0.0000000 5.6444594 0.0000000 0.0000000 0.0000000 4.2129125-------------------------- Born effective charges -------------------------- 1 S -2.8516484 -0.0000000 0.0000000 0.0000000 -2.8516484 0.0000000 0.0000000 0.0000000 -1.9117064 2 S -2.8516484 -0.0000000 0.0000000 0.0000000 -2.8516484 0.0000000 0.0000000 0.0000000 -1.9117064 3 Rb 1.0553115 0.0000000 0.0000000 0.0000000 1.0553115 0.0000000 0.0000000 0.0000000 1.8426812 4 Pr 4.6479853 -0.0000000 0.0000000 0.0000000 4.6479853 0.0000000 0.0000000 0.0000000 1.9807316----------------------------------------------------------------------------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: 196Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 97Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 64Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 54Use standard eigh solver.Tree of FC basis block matrices:- (215, 209), data: False|-- (54, 51), data: True|-- (64, 64), data: True|-- (97, 94), data: True-----Solver_atoms: 1 -- 108 / 108Time (Solver_compr_matrix_reshape): 0.006Solver_block: 80 / 80 - Time: 0.107Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.114--------------------------------- 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: 196Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 97Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 64Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 54Use standard eigh solver.Tree of FC basis block matrices:- (215, 209), data: False|-- (54, 51), data: True|-- (64, 64), data: True|-- (97, 94), data: TrueMax drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-07 23:18:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 23:18:23]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [3 3 1]Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)------------------------------ primitive cell ------------------------------Lattice vectors: a 2.102168688449706 1.213687658158438 7.607626993333326 b -2.102168688449702 1.213687658158438 7.607626993333326 c 0.000000000000002 -2.427375316316880 7.607626993333326Atomic positions (fractional): 1 S 0.76690010805085 0.76690010805085 0.76690010805085 32.065 2 S 0.23309989194916 0.23309989194916 0.23309989194916 32.065 3 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 4 Pr 0.50000000000000 0.50000000000000 0.50000000000000 140.908-------------------------------- supercell ---------------------------------Lattice vectors: a 12.613012130698225 0.000000000000000 0.000000000000000 b -6.306506065349113 10.923188923425954 0.000000000000000 c 0.000000000000000 0.000000000000000 22.822880980000001Atomic positions (fractional): 1 S 0.22222222222222 0.11111111111111 0.10023344138418 32.065 > 1 2 S 0.55555555555556 0.11111111111111 0.10023344138418 32.065 > 1 3 S 0.88888888888889 0.11111111111111 0.10023344138418 32.065 > 1 4 S 0.22222222222222 0.44444444444444 0.10023344138418 32.065 > 1 5 S 0.55555555555556 0.44444444444444 0.10023344138418 32.065 > 1 6 S 0.88888888888889 0.44444444444444 0.10023344138418 32.065 > 1 7 S 0.22222222222222 0.77777777777778 0.10023344138418 32.065 > 1 8 S 0.55555555555556 0.77777777777778 0.10023344138418 32.065 > 1 9 S 0.88888888888889 0.77777777777778 0.10023344138418 32.065 > 1 10 S 0.00000000000000 0.00000000000000 0.23309989194916 32.065 > 10 11 S 0.33333333333333 0.00000000000000 0.23309989194916 32.065 > 10 12 S 0.66666666666667 0.00000000000000 0.23309989194916 32.065 > 10 13 S 0.00000000000000 0.33333333333333 0.23309989194916 32.065 > 10 14 S 0.33333333333333 0.33333333333333 0.23309989194916 32.065 > 10 15 S 0.66666666666667 0.33333333333333 0.23309989194916 32.065 > 10 16 S 0.00000000000000 0.66666666666667 0.23309989194916 32.065 > 10 17 S 0.33333333333333 0.66666666666667 0.23309989194916 32.065 > 10 18 S 0.66666666666667 0.66666666666667 0.23309989194916 32.065 > 10 19 S 0.11111111111111 0.22222222222222 0.43356677471751 32.065 > 1 20 S 0.44444444444444 0.22222222222222 0.43356677471751 32.065 > 1 21 S 0.77777777777778 0.22222222222222 0.43356677471751 32.065 > 1 22 S 0.11111111111111 0.55555555555556 0.43356677471751 32.065 > 1 23 S 0.44444444444444 0.55555555555556 0.43356677471751 32.065 > 1 24 S 0.77777777777778 0.55555555555556 0.43356677471751 32.065 > 1 25 S 0.11111111111111 0.88888888888889 0.43356677471751 32.065 > 1 26 S 0.44444444444444 0.88888888888889 0.43356677471751 32.065 > 1 27 S 0.77777777777778 0.88888888888889 0.43356677471751 32.065 > 1 28 S 0.22222222222222 0.11111111111111 0.56643322528249 32.065 > 10 29 S 0.55555555555556 0.11111111111111 0.56643322528249 32.065 > 10 30 S 0.88888888888889 0.11111111111111 0.56643322528249 32.065 > 10 31 S 0.22222222222222 0.44444444444444 0.56643322528249 32.065 > 10 32 S 0.55555555555556 0.44444444444444 0.56643322528249 32.065 > 10 33 S 0.88888888888889 0.44444444444444 0.56643322528249 32.065 > 10 34 S 0.22222222222222 0.77777777777778 0.56643322528249 32.065 > 10 35 S 0.55555555555556 0.77777777777778 0.56643322528249 32.065 > 10 36 S 0.88888888888889 0.77777777777778 0.56643322528249 32.065 > 10 37 S 0.00000000000000 0.00000000000000 0.76690010805084 32.065 > 1 38 S 0.33333333333333 0.00000000000000 0.76690010805084 32.065 > 1 39 S 0.66666666666667 0.00000000000000 0.76690010805084 32.065 > 1 40 S 0.00000000000000 0.33333333333333 0.76690010805084 32.065 > 1 41 S 0.33333333333333 0.33333333333333 0.76690010805084 32.065 > 1 42 S 0.66666666666667 0.33333333333333 0.76690010805084 32.065 > 1 43 S 0.00000000000000 0.66666666666667 0.76690010805084 32.065 > 1 44 S 0.33333333333333 0.66666666666667 0.76690010805084 32.065 > 1 45 S 0.66666666666667 0.66666666666667 0.76690010805084 32.065 > 1 46 S 0.11111111111111 0.22222222222222 0.89976655861582 32.065 > 10 47 S 0.44444444444444 0.22222222222222 0.89976655861582 32.065 > 10 48 S 0.77777777777778 0.22222222222222 0.89976655861582 32.065 > 10 49 S 0.11111111111111 0.55555555555556 0.89976655861582 32.065 > 10 50 S 0.44444444444444 0.55555555555556 0.89976655861582 32.065 > 10 51 S 0.77777777777778 0.55555555555556 0.89976655861582 32.065 > 10 52 S 0.11111111111111 0.88888888888889 0.89976655861582 32.065 > 10 53 S 0.44444444444444 0.88888888888889 0.89976655861582 32.065 > 10 54 S 0.77777777777778 0.88888888888889 0.89976655861582 32.065 > 10 55 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 55 56 Rb 0.33333333333333 0.00000000000000 0.00000000000000 85.468 > 55 57 Rb 0.66666666666667 0.00000000000000 0.00000000000000 85.468 > 55 58 Rb 0.00000000000000 0.33333333333333 0.00000000000000 85.468 > 55 59 Rb 0.33333333333333 0.33333333333333 0.00000000000000 85.468 > 55 60 Rb 0.66666666666667 0.33333333333333 0.00000000000000 85.468 > 55 61 Rb 0.00000000000000 0.66666666666667 0.00000000000000 85.468 > 55 62 Rb 0.33333333333333 0.66666666666667 0.00000000000000 85.468 > 55 63 Rb 0.66666666666667 0.66666666666667 0.00000000000000 85.468 > 55 64 Rb 0.22222222222222 0.11111111111111 0.33333333333333 85.468 > 55 65 Rb 0.55555555555556 0.11111111111111 0.33333333333333 85.468 > 55 66 Rb 0.88888888888889 0.11111111111111 0.33333333333333 85.468 > 55 67 Rb 0.22222222222222 0.44444444444444 0.33333333333333 85.468 > 55 68 Rb 0.55555555555556 0.44444444444444 0.33333333333333 85.468 > 55 69 Rb 0.88888888888889 0.44444444444444 0.33333333333333 85.468 > 55 70 Rb 0.22222222222222 0.77777777777778 0.33333333333333 85.468 > 55 71 Rb 0.55555555555556 0.77777777777778 0.33333333333333 85.468 > 55 72 Rb 0.88888888888889 0.77777777777778 0.33333333333333 85.468 > 55 73 Rb 0.11111111111111 0.22222222222222 0.66666666666667 85.468 > 55 74 Rb 0.44444444444444 0.22222222222222 0.66666666666667 85.468 > 55 75 Rb 0.77777777777778 0.22222222222222 0.66666666666667 85.468 > 55 76 Rb 0.11111111111111 0.55555555555556 0.66666666666667 85.468 > 55 77 Rb 0.44444444444444 0.55555555555556 0.66666666666667 85.468 > 55 78 Rb 0.77777777777778 0.55555555555556 0.66666666666667 85.468 > 55 79 Rb 0.11111111111111 0.88888888888889 0.66666666666667 85.468 > 55 80 Rb 0.44444444444444 0.88888888888889 0.66666666666667 85.468 > 55 81 Rb 0.77777777777778 0.88888888888889 0.66666666666667 85.468 > 55 82 Pr 0.11111111111111 0.22222222222222 0.16666666666667 140.908 > 82 83 Pr 0.44444444444444 0.22222222222222 0.16666666666667 140.908 > 82 84 Pr 0.77777777777778 0.22222222222222 0.16666666666667 140.908 > 82 85 Pr 0.11111111111111 0.55555555555556 0.16666666666667 140.908 > 82 86 Pr 0.44444444444444 0.55555555555556 0.16666666666667 140.908 > 82 87 Pr 0.77777777777778 0.55555555555556 0.16666666666667 140.908 > 82 88 Pr 0.11111111111111 0.88888888888889 0.16666666666667 140.908 > 82 89 Pr 0.44444444444444 0.88888888888889 0.16666666666667 140.908 > 82 90 Pr 0.77777777777778 0.88888888888889 0.16666666666667 140.908 > 82 91 Pr 0.00000000000000 0.00000000000000 0.50000000000000 140.908 > 82 92 Pr 0.33333333333333 0.00000000000000 0.50000000000000 140.908 > 82 93 Pr 0.66666666666667 0.00000000000000 0.50000000000000 140.908 > 82 94 Pr 0.00000000000000 0.33333333333333 0.50000000000000 140.908 > 82 95 Pr 0.33333333333333 0.33333333333333 0.50000000000000 140.908 > 82 96 Pr 0.66666666666667 0.33333333333333 0.50000000000000 140.908 > 82 97 Pr 0.00000000000000 0.66666666666667 0.50000000000000 140.908 > 82 98 Pr 0.33333333333333 0.66666666666667 0.50000000000000 140.908 > 82 99 Pr 0.66666666666667 0.66666666666667 0.50000000000000 140.908 > 82 100 Pr 0.22222222222222 0.11111111111111 0.83333333333333 140.908 > 82 101 Pr 0.55555555555556 0.11111111111111 0.83333333333333 140.908 > 82 102 Pr 0.88888888888889 0.11111111111111 0.83333333333333 140.908 > 82 103 Pr 0.22222222222222 0.44444444444444 0.83333333333333 140.908 > 82 104 Pr 0.55555555555556 0.44444444444444 0.83333333333333 140.908 > 82 105 Pr 0.88888888888889 0.44444444444444 0.83333333333333 140.908 > 82 106 Pr 0.22222222222222 0.77777777777778 0.83333333333333 140.908 > 82 107 Pr 0.55555555555556 0.77777777777778 0.83333333333333 140.908 > 82 108 Pr 0.88888888888889 0.77777777777778 0.83333333333333 140.908 > 82----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 5.6444594 0.0000000 0.0000000 0.0000000 5.6444594 0.0000000 0.0000000 0.0000000 4.2129125-------------------------- Born effective charges -------------------------- 1 S -2.8516484 -0.0000000 0.0000000 0.0000000 -2.8516484 0.0000000 0.0000000 0.0000000 -1.9117064 2 S -2.8516484 -0.0000000 0.0000000 0.0000000 -2.8516484 0.0000000 0.0000000 0.0000000 -1.9117064 3 Rb 1.0553115 0.0000000 0.0000000 0.0000000 1.0553115 0.0000000 0.0000000 0.0000000 1.8426812 4 Pr 4.6479853 -0.0000000 0.0000000 0.0000000 4.6479853 0.0000000 0.0000000 0.0000000 1.9807316----------------------------------------------------------------------------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 (xyx) 0.00000000 (xyx) 0.00000000 (xxy)fc3 was written into "fc3.hdf5".Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 23:18:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 23:18:27]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [3 3 1]Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)------------------------------ primitive cell ------------------------------Lattice vectors: a 2.102168688449706 1.213687658158438 7.607626993333326 b -2.102168688449702 1.213687658158438 7.607626993333326 c 0.000000000000002 -2.427375316316880 7.607626993333326Atomic positions (fractional): 1 S 0.76690010805085 0.76690010805085 0.76690010805085 32.065 2 S 0.23309989194916 0.23309989194916 0.23309989194916 32.065 3 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 4 Pr 0.50000000000000 0.50000000000000 0.50000000000000 140.908-------------------------------- supercell ---------------------------------Lattice vectors: a 12.613012130698225 0.000000000000000 0.000000000000000 b -6.306506065349113 10.923188923425954 0.000000000000000 c 0.000000000000000 0.000000000000000 22.822880980000001Atomic positions (fractional): 1 S 0.22222222222222 0.11111111111111 0.10023344138418 32.065 > 1 2 S 0.55555555555556 0.11111111111111 0.10023344138418 32.065 > 1 3 S 0.88888888888889 0.11111111111111 0.10023344138418 32.065 > 1 4 S 0.22222222222222 0.44444444444444 0.10023344138418 32.065 > 1 5 S 0.55555555555556 0.44444444444444 0.10023344138418 32.065 > 1 6 S 0.88888888888889 0.44444444444444 0.10023344138418 32.065 > 1 7 S 0.22222222222222 0.77777777777778 0.10023344138418 32.065 > 1 8 S 0.55555555555556 0.77777777777778 0.10023344138418 32.065 > 1 9 S 0.88888888888889 0.77777777777778 0.10023344138418 32.065 > 1 10 S 0.00000000000000 0.00000000000000 0.23309989194916 32.065 > 10 11 S 0.33333333333333 0.00000000000000 0.23309989194916 32.065 > 10 12 S 0.66666666666667 0.00000000000000 0.23309989194916 32.065 > 10 13 S 0.00000000000000 0.33333333333333 0.23309989194916 32.065 > 10 14 S 0.33333333333333 0.33333333333333 0.23309989194916 32.065 > 10 15 S 0.66666666666667 0.33333333333333 0.23309989194916 32.065 > 10 16 S 0.00000000000000 0.66666666666667 0.23309989194916 32.065 > 10 17 S 0.33333333333333 0.66666666666667 0.23309989194916 32.065 > 10 18 S 0.66666666666667 0.66666666666667 0.23309989194916 32.065 > 10 19 S 0.11111111111111 0.22222222222222 0.43356677471751 32.065 > 1 20 S 0.44444444444444 0.22222222222222 0.43356677471751 32.065 > 1 21 S 0.77777777777778 0.22222222222222 0.43356677471751 32.065 > 1 22 S 0.11111111111111 0.55555555555556 0.43356677471751 32.065 > 1 23 S 0.44444444444444 0.55555555555556 0.43356677471751 32.065 > 1 24 S 0.77777777777778 0.55555555555556 0.43356677471751 32.065 > 1 25 S 0.11111111111111 0.88888888888889 0.43356677471751 32.065 > 1 26 S 0.44444444444444 0.88888888888889 0.43356677471751 32.065 > 1 27 S 0.77777777777778 0.88888888888889 0.43356677471751 32.065 > 1 28 S 0.22222222222222 0.11111111111111 0.56643322528249 32.065 > 10 29 S 0.55555555555556 0.11111111111111 0.56643322528249 32.065 > 10 30 S 0.88888888888889 0.11111111111111 0.56643322528249 32.065 > 10 31 S 0.22222222222222 0.44444444444444 0.56643322528249 32.065 > 10 32 S 0.55555555555556 0.44444444444444 0.56643322528249 32.065 > 10 33 S 0.88888888888889 0.44444444444444 0.56643322528249 32.065 > 10 34 S 0.22222222222222 0.77777777777778 0.56643322528249 32.065 > 10 35 S 0.55555555555556 0.77777777777778 0.56643322528249 32.065 > 10 36 S 0.88888888888889 0.77777777777778 0.56643322528249 32.065 > 10 37 S 0.00000000000000 0.00000000000000 0.76690010805084 32.065 > 1 38 S 0.33333333333333 0.00000000000000 0.76690010805084 32.065 > 1 39 S 0.66666666666667 0.00000000000000 0.76690010805084 32.065 > 1 40 S 0.00000000000000 0.33333333333333 0.76690010805084 32.065 > 1 41 S 0.33333333333333 0.33333333333333 0.76690010805084 32.065 > 1 42 S 0.66666666666667 0.33333333333333 0.76690010805084 32.065 > 1 43 S 0.00000000000000 0.66666666666667 0.76690010805084 32.065 > 1 44 S 0.33333333333333 0.66666666666667 0.76690010805084 32.065 > 1 45 S 0.66666666666667 0.66666666666667 0.76690010805084 32.065 > 1 46 S 0.11111111111111 0.22222222222222 0.89976655861582 32.065 > 10 47 S 0.44444444444444 0.22222222222222 0.89976655861582 32.065 > 10 48 S 0.77777777777778 0.22222222222222 0.89976655861582 32.065 > 10 49 S 0.11111111111111 0.55555555555556 0.89976655861582 32.065 > 10 50 S 0.44444444444444 0.55555555555556 0.89976655861582 32.065 > 10 51 S 0.77777777777778 0.55555555555556 0.89976655861582 32.065 > 10 52 S 0.11111111111111 0.88888888888889 0.89976655861582 32.065 > 10 53 S 0.44444444444444 0.88888888888889 0.89976655861582 32.065 > 10 54 S 0.77777777777778 0.88888888888889 0.89976655861582 32.065 > 10 55 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 55 56 Rb 0.33333333333333 0.00000000000000 0.00000000000000 85.468 > 55 57 Rb 0.66666666666667 0.00000000000000 0.00000000000000 85.468 > 55 58 Rb 0.00000000000000 0.33333333333333 0.00000000000000 85.468 > 55 59 Rb 0.33333333333333 0.33333333333333 0.00000000000000 85.468 > 55 60 Rb 0.66666666666667 0.33333333333333 0.00000000000000 85.468 > 55 61 Rb 0.00000000000000 0.66666666666667 0.00000000000000 85.468 > 55 62 Rb 0.33333333333333 0.66666666666667 0.00000000000000 85.468 > 55 63 Rb 0.66666666666667 0.66666666666667 0.00000000000000 85.468 > 55 64 Rb 0.22222222222222 0.11111111111111 0.33333333333333 85.468 > 55 65 Rb 0.55555555555556 0.11111111111111 0.33333333333333 85.468 > 55 66 Rb 0.88888888888889 0.11111111111111 0.33333333333333 85.468 > 55 67 Rb 0.22222222222222 0.44444444444444 0.33333333333333 85.468 > 55 68 Rb 0.55555555555556 0.44444444444444 0.33333333333333 85.468 > 55 69 Rb 0.88888888888889 0.44444444444444 0.33333333333333 85.468 > 55 70 Rb 0.22222222222222 0.77777777777778 0.33333333333333 85.468 > 55 71 Rb 0.55555555555556 0.77777777777778 0.33333333333333 85.468 > 55 72 Rb 0.88888888888889 0.77777777777778 0.33333333333333 85.468 > 55 73 Rb 0.11111111111111 0.22222222222222 0.66666666666667 85.468 > 55 74 Rb 0.44444444444444 0.22222222222222 0.66666666666667 85.468 > 55 75 Rb 0.77777777777778 0.22222222222222 0.66666666666667 85.468 > 55 76 Rb 0.11111111111111 0.55555555555556 0.66666666666667 85.468 > 55 77 Rb 0.44444444444444 0.55555555555556 0.66666666666667 85.468 > 55 78 Rb 0.77777777777778 0.55555555555556 0.66666666666667 85.468 > 55 79 Rb 0.11111111111111 0.88888888888889 0.66666666666667 85.468 > 55 80 Rb 0.44444444444444 0.88888888888889 0.66666666666667 85.468 > 55 81 Rb 0.77777777777778 0.88888888888889 0.66666666666667 85.468 > 55 82 Pr 0.11111111111111 0.22222222222222 0.16666666666667 140.908 > 82 83 Pr 0.44444444444444 0.22222222222222 0.16666666666667 140.908 > 82 84 Pr 0.77777777777778 0.22222222222222 0.16666666666667 140.908 > 82 85 Pr 0.11111111111111 0.55555555555556 0.16666666666667 140.908 > 82 86 Pr 0.44444444444444 0.55555555555556 0.16666666666667 140.908 > 82 87 Pr 0.77777777777778 0.55555555555556 0.16666666666667 140.908 > 82 88 Pr 0.11111111111111 0.88888888888889 0.16666666666667 140.908 > 82 89 Pr 0.44444444444444 0.88888888888889 0.16666666666667 140.908 > 82 90 Pr 0.77777777777778 0.88888888888889 0.16666666666667 140.908 > 82 91 Pr 0.00000000000000 0.00000000000000 0.50000000000000 140.908 > 82 92 Pr 0.33333333333333 0.00000000000000 0.50000000000000 140.908 > 82 93 Pr 0.66666666666667 0.00000000000000 0.50000000000000 140.908 > 82 94 Pr 0.00000000000000 0.33333333333333 0.50000000000000 140.908 > 82 95 Pr 0.33333333333333 0.33333333333333 0.50000000000000 140.908 > 82 96 Pr 0.66666666666667 0.33333333333333 0.50000000000000 140.908 > 82 97 Pr 0.00000000000000 0.66666666666667 0.50000000000000 140.908 > 82 98 Pr 0.33333333333333 0.66666666666667 0.50000000000000 140.908 > 82 99 Pr 0.66666666666667 0.66666666666667 0.50000000000000 140.908 > 82 100 Pr 0.22222222222222 0.11111111111111 0.83333333333333 140.908 > 82 101 Pr 0.55555555555556 0.11111111111111 0.83333333333333 140.908 > 82 102 Pr 0.88888888888889 0.11111111111111 0.83333333333333 140.908 > 82 103 Pr 0.22222222222222 0.44444444444444 0.83333333333333 140.908 > 82 104 Pr 0.55555555555556 0.44444444444444 0.83333333333333 140.908 > 82 105 Pr 0.88888888888889 0.44444444444444 0.83333333333333 140.908 > 82 106 Pr 0.22222222222222 0.77777777777778 0.83333333333333 140.908 > 82 107 Pr 0.55555555555556 0.77777777777778 0.83333333333333 140.908 > 82 108 Pr 0.88888888888889 0.77777777777778 0.83333333333333 140.908 > 82----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 5.6444594 0.0000000 0.0000000 0.0000000 5.6444594 0.0000000 0.0000000 0.0000000 4.2129125-------------------------- Born effective charges -------------------------- 1 S -2.8516484 -0.0000000 0.0000000 0.0000000 -2.8516484 0.0000000 0.0000000 0.0000000 -1.9117064 2 S -2.8516484 -0.0000000 0.0000000 0.0000000 -2.8516484 0.0000000 0.0000000 0.0000000 -1.9117064 3 Rb 1.0553115 0.0000000 0.0000000 0.0000000 1.0553115 0.0000000 0.0000000 0.0000000 1.8426812 4 Pr 4.6479853 -0.0000000 0.0000000 0.0000000 4.6479853 0.0000000 0.0000000 0.0000000 1.9807316----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000000 (xyx) 0.00000000 (xyx) 0.00000000 (xxy)Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 14 14 14 ]fc3-r2q-transformation over three atoms: True--------------------------- Phonon calculations ----------------------------Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.85, Number of G-points: 313, Lambda: 0.20Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/288) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.114 ( 0.000 0.000 0.000) 0.000 2.114 ( 0.000 0.000 0.000) 0.000 3.458 ( 0.000 0.000 0.000) 0.000 4.896 ( 0.000 0.000 0.000) 0.000 4.896 ( 0.000 0.000 0.000) 0.000 6.121 ( 0.000 0.000 0.000) 0.000 6.121 ( 0.000 0.000 0.000) 0.000 6.583 ( 0.000 0.000 0.000) 0.000 7.532 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/288) =======================q-point: ( 0.07 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.427 ( 19.532 11.277 -4.484) 22.995 0.460 ( 20.527 11.851 -3.704) 23.990 0.898 ( 36.944 21.329 13.128) 44.633 2.122 ( 0.656 0.379 0.620) 0.978 2.169 ( 5.061 2.922 -2.237) 6.257 3.441 ( -1.976 -1.141 0.909) 2.456 4.923 ( 2.352 1.358 0.498) 2.761 6.089 ( -2.851 -1.646 0.161) 3.296 6.096 ( -2.093 -1.208 -0.164) 2.422 6.566 ( 2.268 1.309 -13.204) 13.461 7.467 ( -5.684 -3.282 1.651) 6.768 8.301 ( -1.003 -0.579 -5.336) 5.461======================= Grid point 2 (3/288) =======================q-point: ( 0.14 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.855 ( 19.286 11.135 -4.538) 22.727 0.900 ( 19.377 11.187 -5.421) 23.022 1.721 ( 30.744 17.750 12.302) 37.571 2.147 ( 1.308 0.755 1.290) 1.987 2.332 ( 11.107 6.413 -5.153) 13.822 3.380 ( -3.371 -1.946 -0.131) 3.895 5.004 ( 4.453 2.571 0.800) 5.203 5.995 ( -5.243 -3.027 0.014) 6.054 6.033 ( -3.117 -1.799 -0.289) 3.610 6.580 ( 1.248 0.720 -4.695) 4.911 7.304 ( -8.922 -5.151 3.185) 10.783 8.228 ( -3.969 -2.291 -6.423) 7.890======================= Grid point 3 (4/288) =======================q-point: ( 0.21 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.262 ( 17.681 10.208 -4.730) 20.958 1.297 ( 17.386 10.038 -7.566) 21.454 2.191 ( 2.107 1.216 2.055) 3.185 2.242 ( 11.937 6.892 6.328) 15.167 2.720 ( 23.654 13.657 -4.892) 27.748 3.301 ( -3.206 -1.851 3.569) 5.142 5.122 ( 5.543 3.200 0.832) 6.455 5.867 ( -5.609 -3.239 -0.393) 6.489 5.967 ( -2.300 -1.328 -0.345) 2.678 6.579 ( -0.931 -0.538 -0.611) 1.236 7.097 ( -10.190 -5.883 3.904) 12.397 8.087 ( -6.022 -3.477 -8.285) 10.816======================= Grid point 4 (5/288) =======================q-point: ( 0.29 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.608 ( 13.731 7.928 -4.852) 16.581 1.637 ( 14.929 8.619 -9.273) 19.575 2.260 ( 3.419 1.974 2.732) 4.802 2.434 ( 5.829 3.365 1.766) 6.958 3.041 ( 0.405 0.234 -4.019) 4.046 3.428 ( 15.954 9.211 7.832) 20.017 5.244 ( 4.600 2.656 0.637) 5.350 5.761 ( -3.075 -1.775 -0.850) 3.651 5.942 ( 0.395 0.228 -0.296) 0.544 6.521 ( -4.369 -2.523 1.329) 5.217 6.870 ( -10.695 -6.175 2.265) 12.555 7.930 ( -5.030 -2.904 -7.736) 9.674======================= Grid point 5 (6/288) =======================q-point: ( 0.36 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.840 ( 7.881 4.550 -4.007) 9.944 1.918 ( 12.620 7.286 -9.591) 17.445 2.363 ( 4.766 2.752 2.501) 6.045 2.547 ( 3.957 2.285 0.686) 4.620 2.933 ( -7.445 -4.298 3.816) 9.405 3.806 ( 13.203 7.623 2.381) 15.431 5.324 ( 2.290 1.322 0.340) 2.666 5.735 ( 1.156 0.668 -1.247) 1.827 5.983 ( 2.972 1.716 -0.158) 3.436 6.394 ( -7.473 -4.315 3.378) 9.267 6.638 ( -9.050 -5.225 -2.362) 10.714 7.828 ( -2.277 -1.314 -4.418) 5.141======================= Grid point 6 (7/288) =======================q-point: ( 0.43 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.950 ( 3.108 1.795 -2.058) 4.138 2.150 ( 10.018 5.784 -7.760) 13.930 2.470 ( 3.599 2.078 1.267) 4.344 2.612 ( 1.257 0.726 -0.689) 1.606 2.770 ( -7.333 -4.234 7.033) 11.007 4.019 ( 5.580 3.221 0.214) 6.446 5.356 ( 0.728 0.420 0.119) 0.849 5.796 ( 4.150 2.396 -1.528) 5.030 6.052 ( 2.669 1.541 -0.050) 3.082 6.209 ( -9.011 -5.203 3.393) 10.945 6.483 ( -3.582 -2.068 -3.351) 5.323 7.790 ( -0.559 -0.323 -1.473) 1.608======================= Grid point 7 (8/288) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.981 ( 0.000 0.000 0.000) 0.000 2.276 ( 0.000 0.000 0.000) 0.000 2.515 ( 0.000 0.000 0.000) 0.000 2.592 ( 0.000 0.000 0.000) 0.000 2.706 ( 0.000 0.000 -0.000) 0.000 4.079 ( 0.000 0.000 0.000) 0.000 5.364 ( 0.000 0.000 0.000) 0.000 5.867 ( 0.000 0.000 0.000) 0.000 6.082 ( -0.000 -0.000 0.000) 0.000 6.085 ( 0.000 0.000 0.000) 0.000 6.441 ( 0.000 0.000 0.000) 0.000 7.783 ( 0.000 0.000 -0.000) 0.000======================= Grid point 16 (9/288) =======================q-point: ( 0.07 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.519 ( 0.000 21.832 13.881) 25.871 0.536 ( -0.000 24.160 9.062) 25.804 0.853 ( -0.000 40.691 5.821) 41.105 2.106 ( -0.000 0.123 -2.769) 2.772 2.178 ( -0.000 6.537 -0.240) 6.541 3.443 ( 0.000 -3.392 1.193) 3.595 4.919 ( -0.000 2.526 -0.399) 2.558 6.086 ( 0.000 -3.382 -0.454) 3.412 6.097 ( 0.000 -2.345 0.177) 2.352 6.499 ( -0.000 8.090 -25.536) 26.787 7.473 ( 0.000 -6.674 2.623) 7.171 8.290 ( -0.000 0.712 -7.018) 7.054======================= Grid point 17 (10/288) =======================q-point: ( 0.14 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.715 ( 3.814 19.345 9.973) 22.096 0.919 ( 7.558 25.357 -1.247) 26.489 1.502 ( 23.823 29.061 10.999) 39.154 2.122 ( 2.460 0.356 -2.726) 3.689 2.280 ( 3.229 9.951 -2.284) 10.708 3.392 ( -1.546 -3.611 -1.452) 4.188 4.975 ( 2.797 3.714 0.126) 4.652 6.026 ( -2.380 -4.729 -0.420) 5.310 6.051 ( -1.976 -2.882 0.049) 3.495 6.528 ( 2.811 2.689 -12.335) 12.934 7.364 ( -4.594 -8.653 3.780) 10.501 8.246 ( -2.775 -1.473 -6.191) 6.943======================= Grid point 18 (11/288) =======================q-point: ( 0.21 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.049 ( 11.932 14.674 3.263) 19.192 1.279 ( 8.125 22.369 -4.620) 24.244 2.118 ( 15.579 12.558 9.146) 22.001 2.175 ( 3.181 1.978 -1.133) 3.913 2.528 ( 14.361 18.335 -4.851) 23.790 3.321 ( -1.695 -3.814 0.139) 4.176 5.082 ( 4.440 5.034 0.644) 6.743 5.916 ( -4.507 -4.752 -0.547) 6.572 5.988 ( -2.146 -2.265 -0.158) 3.124 6.555 ( 1.953 -0.341 -5.115) 5.486 7.187 ( -7.197 -9.202 4.714) 12.598 8.125 ( -5.731 -3.438 -7.629) 10.142======================= Grid point 19 (12/288) =======================q-point: ( 0.29 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.395 ( 13.218 10.724 -1.518) 17.089 1.598 ( 7.801 18.213 -6.080) 20.725 2.256 ( 2.686 4.708 0.844) 5.486 2.365 ( 6.610 3.470 2.131) 7.764 2.967 ( 11.079 11.176 -6.300) 16.951 3.330 ( 7.073 3.694 7.740) 11.117 5.217 ( 4.299 6.010 0.845) 7.438 5.796 ( -4.027 -3.374 -0.898) 5.330 5.945 ( -0.873 -0.445 -0.309) 1.028 6.542 ( -0.832 -2.583 -1.769) 3.239 6.975 ( -8.876 -9.089 4.379) 13.438 7.957 ( -5.835 -4.272 -8.172) 10.913======================= Grid point 20 (13/288) =======================q-point: ( 0.36 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.686 ( 11.528 7.248 -4.127) 14.229 1.854 ( 6.217 13.496 -6.720) 16.308 2.364 ( 2.474 7.175 2.109) 7.877 2.491 ( 5.187 1.825 0.393) 5.512 3.002 ( -3.687 -2.513 -0.041) 4.462 3.671 ( 14.287 10.843 4.389) 18.465 5.335 ( 1.791 6.322 0.737) 6.612 5.726 ( -0.843 -1.167 -1.293) 1.935 5.956 ( 1.698 1.427 -0.287) 2.237 6.468 ( -3.982 -3.200 0.340) 5.120 6.732 ( -10.239 -8.638 0.849) 13.423 7.821 ( -2.415 -3.897 -5.647) 7.274======================= Grid point 21 (14/288) =======================q-point: ( 0.43 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.892 ( 6.657 4.707 -3.263) 8.782 2.046 ( 6.698 9.267 -7.419) 13.630 2.479 ( 1.524 6.781 2.482) 7.380 2.579 ( 3.201 0.975 -0.513) 3.386 2.888 ( -6.929 -1.986 4.352) 8.420 3.952 ( 7.787 5.836 1.407) 9.832 5.403 ( -1.282 6.482 0.425) 6.621 5.739 ( 3.131 0.445 -1.626) 3.556 6.016 ( 3.020 1.686 0.000) 3.459 6.345 ( -8.750 -2.775 3.691) 9.894 6.503 ( -5.327 -6.047 -4.250) 9.111 7.762 ( 0.716 -3.349 -2.254) 4.100======================= Grid point 22 (15/288) =======================q-point: ( 0.50 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.984 ( 1.098 3.017 -1.353) 3.485 2.222 ( 6.858 5.437 -5.946) 10.581 2.534 ( -1.672 1.190 2.652) 3.353 2.603 ( 0.248 -0.419 -0.679) 0.836 2.791 ( -6.458 4.380 2.811) 8.294 4.072 ( 2.121 1.728 0.817) 2.855 5.428 ( -3.162 6.530 0.165) 7.257 5.811 ( 4.571 -0.224 -1.331) 4.766 6.074 ( 1.911 1.210 0.528) 2.322 6.162 ( -8.413 -1.757 1.103) 8.665 6.425 ( 0.331 -1.935 -1.499) 2.470 7.751 ( 1.805 -3.092 -0.387) 3.601======================= Grid point 23 (16/288) =======================q-point: (-0.43 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.993 ( -2.198 0.979 0.428) 2.444 2.265 ( -4.797 -1.839 2.944) 5.921 2.512 ( -0.497 0.316 -1.724) 1.822 2.608 ( 0.712 -0.139 0.303) 0.786 2.761 ( -3.741 7.732 -3.399) 9.237 4.073 ( -2.841 -1.015 1.108) 3.214 5.427 ( -4.149 5.905 -0.003) 7.217 5.822 ( -1.373 -3.764 0.978) 4.124 6.069 ( -1.791 -1.023 -0.577) 2.142 6.150 ( 4.115 5.912 -1.428) 7.343 6.441 ( 2.946 -0.608 1.800) 3.506 7.756 ( 2.285 -2.850 0.757) 3.730======================= Grid point 24 (17/288) =======================q-point: (-0.36 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.921 ( -6.149 -3.074 2.848) 7.441 2.115 ( -10.544 -2.173 6.982) 12.831 2.455 ( -6.183 1.233 -2.694) 6.856 2.582 ( -3.166 -2.152 0.139) 3.831 2.840 ( 5.828 6.512 -5.799) 10.488 3.946 ( -10.096 -4.106 0.124) 10.900 5.400 ( -5.051 4.141 -0.206) 6.535 5.754 ( -2.067 -2.424 1.427) 3.491 6.016 ( -2.818 -1.661 0.019) 3.271 6.309 ( 6.797 6.425 -3.793) 10.092 6.538 ( 7.547 1.263 3.183) 8.288 7.786 ( 3.689 -1.845 2.748) 4.956======================= Grid point 25 (18/288) =======================q-point: (-0.29 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.730 ( -11.481 -7.649 5.114) 14.713 1.920 ( -14.443 0.245 7.031) 16.065 2.339 ( -7.188 1.635 -3.174) 8.026 2.484 ( -4.669 -3.391 -0.968) 5.852 2.996 ( 6.939 3.734 -1.501) 8.021 3.636 ( -18.992 -7.524 -2.865) 20.628 5.329 ( -6.436 1.399 -0.460) 6.602 5.737 ( 1.215 0.180 1.082) 1.637 5.958 ( -2.053 -0.663 0.212) 2.168 6.453 ( 5.636 3.219 -2.644) 7.009 6.728 ( 10.778 3.133 0.027) 11.225 7.874 ( 6.135 0.303 5.345) 8.142======================= Grid point 26 (19/288) =======================q-point: (-0.21 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.425 ( -16.204 -9.126 4.691) 19.179 1.659 ( -19.475 1.071 6.534) 20.569 2.239 ( -5.016 1.140 -2.726) 5.821 2.342 ( -7.852 -4.222 -2.469) 9.251 3.034 ( -17.105 -4.169 7.715) 19.222 3.249 ( -3.424 -2.765 -9.354) 10.337 5.210 ( -7.384 -0.735 -0.610) 7.445 5.803 ( 4.740 1.795 0.560) 5.099 5.947 ( 0.821 0.497 0.251) 0.993 6.544 ( 3.432 0.756 -1.377) 3.774 6.945 ( 11.380 2.926 -2.014) 11.922 8.024 ( 7.549 1.964 5.946) 9.808======================= Grid point 27 (20/288) =======================q-point: (-0.14 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.047 ( -19.272 -7.714 2.829) 20.951 1.326 ( -23.382 1.815 5.016) 23.983 2.047 ( -22.214 -6.146 -5.520) 23.701 2.175 ( -3.125 0.192 -1.263) 3.376 2.565 ( -22.156 -4.563 2.864) 22.802 3.315 ( 5.679 0.756 -1.051) 5.825 5.077 ( -6.587 -1.047 -0.485) 6.687 5.919 ( 6.237 1.602 0.098) 6.440 5.989 ( 3.041 0.567 0.179) 3.098 6.581 ( 1.150 -0.240 0.139) 1.183 7.157 ( 11.239 1.988 -1.565) 11.520 8.180 ( 6.249 1.561 3.685) 7.420======================= Grid point 28 (21/288) =======================q-point: (-0.07 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.667 ( -20.250 -0.000 0.000) 20.250 0.928 ( -25.949 -0.000 0.000) 25.949 1.447 ( -38.768 -0.000 0.000) 38.768 2.135 ( -1.512 -0.000 0.000) 1.512 2.290 ( -10.440 -0.000 0.000) 10.440 3.398 ( 3.681 0.000 -0.000) 3.681 4.974 ( -4.593 -0.000 0.000) 4.593 6.028 ( 5.254 0.000 -0.000) 5.254 6.050 ( 3.478 0.000 -0.000) 3.478 6.589 ( -0.015 -0.000 0.000) 0.015 7.345 ( 9.675 0.000 -0.000) 9.675 8.277 ( 3.484 0.000 -0.000) 3.484======================= Grid point 31 (22/288) =======================q-point: ( 0.14 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.025 ( 0.000 21.241 12.433) 24.612 1.053 ( -0.000 22.981 7.537) 24.186 1.638 ( -0.000 34.244 5.701) 34.715 2.085 ( -0.000 0.294 -5.325) 5.333 2.368 ( -0.000 13.823 -1.518) 13.906 3.355 ( -0.000 -5.014 -2.677) 5.684 4.991 ( -0.000 5.039 -0.470) 5.061 5.988 ( 0.000 -5.899 -0.758) 5.948 6.038 ( 0.000 -3.543 0.226) 3.550 6.491 ( -0.000 2.929 -12.476) 12.815 7.317 ( 0.000 -10.948 3.895) 11.620 8.240 ( -0.000 -1.988 -4.962) 5.345======================= Grid point 32 (23/288) =======================q-point: ( 0.21 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.192 ( -2.615 20.952 11.526) 24.056 1.383 ( 5.402 21.645 1.053) 22.333 2.063 ( 10.742 19.181 7.272) 23.155 2.109 ( 4.281 1.302 -5.628) 7.190 2.559 ( 4.755 21.524 -3.775) 22.364 3.289 ( -0.347 -5.407 -1.553) 5.637 5.073 ( 3.121 6.150 0.068) 6.897 5.913 ( -1.685 -5.996 -0.693) 6.267 5.992 ( -1.271 -2.898 0.102) 3.166 6.494 ( 1.971 0.011 -8.253) 8.485 7.187 ( -3.334 -11.669 4.171) 12.833 8.162 ( -4.320 -3.364 -5.287) 7.612======================= Grid point 33 (24/288) =======================q-point: ( 0.29 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.413 ( 2.315 17.379 6.675) 18.761 1.664 ( 4.762 18.866 -2.909) 19.674 2.213 ( 7.002 3.704 -3.560) 8.684 2.325 ( 4.496 6.270 3.676) 8.546 2.908 ( 9.124 17.597 -7.327) 21.133 3.279 ( 4.536 1.633 5.685) 7.454 5.210 ( 4.714 7.430 0.905) 8.846 5.815 ( -2.984 -4.607 -0.941) 5.570 5.953 ( -0.793 -0.982 -0.235) 1.284 6.493 ( 1.669 -2.946 -4.883) 5.942 7.011 ( -5.480 -11.359 4.369) 13.347 8.003 ( -7.114 -4.461 -6.205) 10.441======================= Grid point 34 (25/288) =======================q-point: ( 0.36 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.636 ( 4.965 12.589 1.299) 13.595 1.892 ( 3.821 14.462 -4.261) 15.553 2.384 ( 6.970 7.293 -1.161) 10.154 2.433 ( 2.574 3.706 2.036) 4.951 3.007 ( 0.072 -1.457 -3.652) 3.933 3.574 ( 12.675 14.151 5.047) 19.657 5.368 ( 3.692 8.336 1.494) 9.239 5.731 ( -2.078 -2.290 -1.416) 3.401 5.951 ( 0.574 1.395 -0.718) 1.670 6.458 ( 0.028 -4.272 -3.160) 5.314 6.805 ( -7.853 -10.419 3.422) 13.488 7.824 ( -5.558 -4.855 -5.527) 9.220======================= Grid point 35 (26/288) =======================q-point: ( 0.43 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.837 ( 5.916 9.378 -1.301) 11.164 2.048 ( 2.606 9.601 -4.906) 11.093 2.510 ( 3.508 0.892 1.365) 3.869 2.555 ( 2.316 8.399 1.224) 8.798 2.972 ( -2.052 0.713 0.846) 2.331 3.884 ( 8.555 8.431 1.717) 12.134 5.493 ( 0.633 8.542 1.480) 8.692 5.701 ( 0.657 -0.128 -1.792) 1.913 5.992 ( 1.979 2.420 -0.879) 3.248 6.406 ( -0.663 -2.784 -1.445) 3.206 6.560 ( -10.318 -8.709 0.669) 13.519 7.707 ( -0.844 -4.969 -2.925) 5.828======================= Grid point 36 (27/288) =======================q-point: ( 0.50 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.995 ( 2.826 7.047 -1.294) 7.702 2.162 ( 4.277 6.475 -5.305) 9.400 2.569 ( 2.444 -0.302 1.150) 2.718 2.595 ( -2.841 -0.423 2.830) 4.033 2.980 ( -4.669 11.112 0.918) 12.088 4.042 ( 3.950 2.417 0.744) 4.690 5.565 ( -2.578 8.794 0.908) 9.209 5.734 ( 3.309 0.289 -1.620) 3.696 6.048 ( 2.595 1.568 -0.409) 3.060 6.304 ( -10.702 -4.426 0.923) 11.618 6.391 ( 0.866 -1.402 -1.806) 2.445 7.668 ( 2.346 -5.112 -0.820) 5.684======================= Grid point 37 (28/288) =======================q-point: (-0.43 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.054 ( -1.935 4.513 -0.406) 4.927 2.276 ( 3.300 2.923 -3.511) 5.635 2.518 ( -2.953 -2.969 2.202) 4.731 2.590 ( 0.893 -1.415 0.358) 1.711 2.993 ( -9.272 14.288 -1.071) 17.067 4.091 ( 0.621 -0.706 1.431) 1.712 5.585 ( -5.082 8.162 0.288) 9.619 5.780 ( 2.289 -1.899 -0.244) 2.984 6.121 ( 2.795 0.199 -0.640) 2.875 6.129 ( -4.594 1.630 -0.085) 4.875 6.401 ( 1.135 -0.230 0.376) 1.218 7.668 ( 3.404 -5.076 0.199) 6.115======================= Grid point 38 (29/288) =======================q-point: (-0.36 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.017 ( -5.875 0.815 0.847) 5.992 2.253 ( -5.493 -1.131 3.337) 6.526 2.495 ( 0.324 -0.614 -3.879) 3.940 2.593 ( 1.027 -0.824 0.645) 1.466 2.941 ( -9.591 11.055 -2.936) 14.928 4.051 ( -4.897 -2.082 1.551) 5.543 5.555 ( -6.539 5.747 -0.126) 8.707 5.761 ( -1.189 -2.597 1.134) 3.073 6.055 ( -2.991 0.278 0.362) 3.026 6.258 ( 5.970 6.106 -3.284) 9.149 6.438 ( 4.470 -1.121 2.525) 5.255 7.690 ( 4.596 -4.175 1.280) 6.340======================= Grid point 39 (30/288) =======================q-point: (-0.29 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.874 ( -10.017 -2.978 2.406) 10.724 2.141 ( -8.886 0.659 4.200) 9.851 2.452 ( -3.177 0.085 -3.794) 4.949 2.555 ( -6.446 -0.556 0.839) 6.524 2.934 ( 1.653 5.269 -3.046) 6.307 3.869 ( -14.176 -3.440 0.210) 14.589 5.475 ( -7.697 2.877 -0.296) 8.222 5.730 ( -0.369 -0.771 1.078) 1.376 6.004 ( -3.570 0.424 0.417) 3.619 6.387 ( 4.826 3.406 -3.092) 6.667 6.571 ( 10.010 0.579 1.537) 10.144 7.763 ( 7.075 -1.930 2.634) 7.792======================= Grid point 40 (31/288) =======================q-point: (-0.21 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.642 ( -14.372 -3.170 2.174) 14.877 1.970 ( -13.886 0.870 2.963) 14.226 2.367 ( -7.562 2.905 -3.087) 8.669 2.414 ( -6.315 -3.361 0.873) 7.207 3.052 ( 7.345 1.921 0.072) 7.592 3.502 ( -24.015 -3.714 -1.576) 24.351 5.350 ( -8.837 0.664 -0.266) 8.866 5.750 ( 2.718 0.365 0.503) 2.788 5.960 ( -1.850 0.359 0.176) 1.893 6.480 ( 4.396 0.836 -1.177) 4.627 6.765 ( 11.333 0.924 -0.407) 11.378 7.904 ( 9.093 0.109 2.528) 9.438======================= Grid point 41 (32/288) =======================q-point: (-0.14 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.346 ( -18.512 -0.000 0.000) 18.512 1.701 ( -18.803 -0.000 0.000) 18.803 2.252 ( -6.151 -0.000 0.000) 6.151 2.276 ( -9.597 -0.000 0.000) 9.597 3.007 ( -29.621 -0.000 0.000) 29.621 3.199 ( 7.843 0.000 -0.000) 7.843 5.201 ( -8.467 -0.000 0.000) 8.467 5.825 ( 5.383 0.000 -0.000) 5.383 5.955 ( 1.044 0.000 -0.000) 1.044 6.544 ( 2.970 0.000 -0.000) 2.970 6.966 ( 11.750 0.000 -0.000) 11.750 8.065 ( 8.609 0.000 -0.000) 8.609======================= Grid point 46 (33/288) =======================q-point: ( 0.21 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.497 ( 0.000 19.116 10.604) 21.860 1.518 ( -0.000 19.986 4.802) 20.555 2.055 ( -0.000 0.905 -7.424) 7.479 2.181 ( -0.000 16.400 4.935) 17.127 2.732 ( -0.000 24.314 -6.532) 25.176 3.233 ( 0.000 -4.752 0.573) 4.787 5.107 ( -0.000 6.690 -0.130) 6.692 5.865 ( 0.000 -5.707 -0.359) 5.719 5.974 ( 0.000 -2.755 0.083) 2.756 6.447 ( -0.000 -1.139 -7.790) 7.873 7.105 ( 0.000 -12.613 3.400) 13.063 8.152 ( -0.000 -4.034 -4.037) 5.707======================= Grid point 47 (34/288) =======================q-point: ( 0.29 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.636 ( -3.968 16.644 7.967) 18.874 1.771 ( 3.340 16.870 1.539) 17.266 2.107 ( 6.730 3.442 -6.207) 9.781 2.344 ( 2.608 7.954 2.881) 8.852 2.929 ( 2.843 9.615 -11.186) 15.022 3.276 ( 3.608 10.681 7.722) 13.665 5.209 ( 3.928 7.140 0.521) 8.166 5.803 ( -1.275 -4.341 -0.409) 4.543 5.950 ( -0.255 -1.105 -0.120) 1.140 6.417 ( 1.299 -3.399 -5.878) 6.913 6.971 ( -2.369 -12.324 2.930) 12.887 8.052 ( -5.056 -4.685 -4.051) 7.995======================= Grid point 48 (35/288) =======================q-point: ( 0.36 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.745 ( -1.202 12.002 2.998) 12.429 1.968 ( 2.427 12.730 -1.287) 13.024 2.295 ( 9.130 6.768 -1.778) 11.503 2.453 ( 2.734 5.975 0.929) 6.636 2.947 ( 2.094 -4.036 -5.210) 6.915 3.573 ( 7.862 18.788 4.889) 20.945 5.373 ( 5.762 7.803 1.622) 9.835 5.739 ( -1.941 -2.220 -1.088) 3.143 5.951 ( 0.608 1.197 -0.753) 1.540 6.382 ( 1.444 -5.137 -4.352) 6.886 6.808 ( -4.145 -11.244 2.647) 12.273 7.879 ( -7.641 -4.786 -4.043) 9.881======================= Grid point 49 (36/288) =======================q-point: ( 0.43 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.868 ( 2.460 9.984 0.452) 10.293 2.094 ( 1.338 8.165 -2.908) 8.770 2.451 ( 4.260 1.802 0.798) 4.694 2.601 ( 3.404 8.165 2.021) 9.074 2.957 ( 4.576 0.132 -1.402) 4.788 3.860 ( 5.938 11.817 1.665) 13.329 5.540 ( 3.711 7.148 2.408) 8.406 5.701 ( -0.622 0.606 -1.607) 1.826 5.986 ( 1.357 2.805 -1.956) 3.679 6.345 ( 1.776 -4.790 -3.253) 6.056 6.625 ( -6.438 -9.278 2.115) 11.489 7.703 ( -5.598 -4.589 -2.927) 7.808======================= Grid point 50 (37/288) =======================q-point: ( 0.50 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.020 ( 3.742 9.332 -0.379) 10.062 2.166 ( 1.003 5.240 -3.080) 6.161 2.520 ( 2.908 -0.019 1.088) 3.105 2.640 ( -2.413 -2.027 3.293) 4.558 3.121 ( 4.402 13.904 -0.024) 14.585 4.006 ( 2.689 3.127 0.008) 4.124 5.641 ( 1.685 4.004 1.004) 4.459 5.724 ( 0.195 4.133 -0.255) 4.146 6.021 ( 1.168 0.922 -2.740) 3.118 6.339 ( 1.677 -2.036 -2.859) 3.890 6.434 ( -7.345 -4.583 2.352) 8.971 7.595 ( -0.870 -4.896 -1.264) 5.131======================= Grid point 51 (38/288) =======================q-point: ( 0.57 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.141 ( -0.696 8.015 -0.112) 8.046 2.232 ( 3.494 3.417 -3.441) 5.977 2.548 ( -2.307 -5.453 4.101) 7.202 2.559 ( -0.131 -0.876 -0.310) 0.938 3.287 ( -5.050 17.936 -0.465) 18.639 4.043 ( 2.678 -3.001 0.514) 4.055 5.706 ( 1.452 3.350 -0.011) 3.651 5.749 ( -1.918 2.856 0.277) 3.452 6.039 ( 3.606 -2.754 -1.728) 4.855 6.255 ( -6.679 1.701 -0.004) 6.892 6.397 ( 0.545 1.079 0.131) 1.216 7.559 ( 2.540 -5.340 -0.225) 5.918======================= Grid point 52 (39/288) =======================q-point: (-0.36 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.145 ( -5.966 4.409 0.205) 7.422 2.294 ( 0.570 0.651 -1.148) 1.437 2.464 ( -0.442 -3.181 0.273) 3.223 2.565 ( 1.012 -0.944 0.232) 1.403 3.270 ( -13.987 12.996 -1.389) 19.143 4.060 ( 1.904 -3.088 1.444) 3.905 5.701 ( -5.511 2.363 -0.037) 5.996 5.751 ( 0.769 -0.248 0.153) 0.822 6.083 ( 3.092 -1.614 0.655) 3.549 6.233 ( -0.058 6.821 -1.145) 6.916 6.401 ( -0.227 -0.671 0.334) 0.783 7.569 ( 4.373 -4.544 0.364) 6.316======================= Grid point 53 (40/288) =======================q-point: (-0.29 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.030 ( -9.573 0.084 0.515) 9.588 2.264 ( -4.024 0.289 1.701) 4.378 2.451 ( 0.313 -1.134 -2.184) 2.481 2.590 ( 1.776 0.008 0.161) 1.784 3.101 ( -14.032 5.288 -1.191) 15.042 4.020 ( -5.494 -1.407 0.801) 5.727 5.615 ( -6.143 0.817 -0.145) 6.199 5.743 ( -1.254 -0.159 0.446) 1.341 6.083 ( -3.313 1.279 0.937) 3.673 6.336 ( 3.895 3.710 -3.295) 6.308 6.424 ( 6.367 -1.698 2.157) 6.933 7.629 ( 6.482 -2.147 0.738) 6.868======================= Grid point 54 (41/288) =======================q-point: (-0.21 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.850 ( -11.437 -0.000 0.000) 11.437 2.166 ( -8.378 -0.000 0.000) 8.378 2.433 ( -1.435 -0.000 0.000) 1.435 2.556 ( -7.459 -0.000 0.000) 7.459 2.982 ( -0.525 -0.000 0.000) 0.525 3.832 ( -15.889 -0.000 0.000) 15.889 5.501 ( -8.000 -0.000 0.000) 8.000 5.728 ( 0.059 0.000 -0.000) 0.059 6.017 ( -4.382 -0.000 0.000) 4.382 6.408 ( 4.156 0.000 -0.000) 4.156 6.581 ( 10.649 0.000 -0.000) 10.649 7.751 ( 8.717 0.000 -0.000) 8.717======================= Grid point 61 (42/288) =======================q-point: ( 0.29 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.863 ( 0.000 9.298 6.341) 11.255 1.876 ( -0.000 14.316 -0.032) 14.316 2.064 ( -0.000 7.671 -6.148) 9.830 2.401 ( -0.000 5.850 0.947) 5.926 2.900 ( -0.000 -2.940 -8.330) 8.834 3.436 ( -0.000 21.791 6.920) 22.863 5.236 ( -0.000 5.913 0.318) 5.921 5.778 ( 0.000 -2.754 0.015) 2.754 5.946 ( -0.000 0.231 -0.126) 0.263 6.350 ( -0.000 -4.460 -4.897) 6.624 6.877 ( 0.000 -11.910 1.557) 12.012 8.039 ( -0.000 -5.004 -3.062) 5.867======================= Grid point 62 (43/288) =======================q-point: ( 0.36 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.876 ( -2.715 5.302 -1.276) 6.092 2.029 ( 2.653 8.100 -1.709) 8.693 2.234 ( 7.266 12.085 -0.165) 14.102 2.459 ( 1.981 3.854 -1.273) 4.517 2.848 ( 1.380 -6.116 -2.014) 6.585 3.698 ( 2.776 20.835 4.455) 21.486 5.339 ( 5.533 5.264 0.834) 7.682 5.748 ( -1.302 -0.876 -0.553) 1.664 5.957 ( 0.161 2.122 -0.284) 2.147 6.296 ( 0.869 -5.511 -3.430) 6.549 6.754 ( -1.786 -10.570 0.742) 10.745 7.936 ( -5.099 -4.811 -2.720) 7.520======================= Grid point 63 (44/288) =======================q-point: ( 0.43 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.913 ( 1.725 5.579 -1.890) 6.138 2.121 ( 2.304 4.338 -3.113) 5.815 2.427 ( 2.705 5.031 1.813) 5.993 2.601 ( 7.182 8.696 0.093) 11.279 2.831 ( 5.366 -4.481 0.240) 6.995 3.929 ( 2.106 14.243 2.012) 14.538 5.515 ( 7.516 5.146 1.785) 9.282 5.719 ( -1.391 0.862 -1.479) 2.206 5.991 ( 0.746 3.304 -1.153) 3.578 6.252 ( 1.659 -5.628 -2.198) 6.265 6.617 ( -3.242 -8.791 0.452) 9.380 7.773 ( -7.492 -3.880 -2.192) 8.717======================= Grid point 64 (45/288) =======================q-point: ( 0.50 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.027 ( 4.745 6.476 -1.314) 8.135 2.184 ( 1.942 3.082 -2.014) 4.163 2.492 ( 1.525 1.674 1.485) 2.708 2.664 ( -2.248 -2.379 2.912) 4.381 3.065 ( 15.408 9.723 -0.196) 18.220 4.041 ( -1.391 6.025 0.027) 6.184 5.650 ( 1.667 3.297 0.853) 3.791 5.739 ( 2.627 2.785 0.060) 3.829 6.019 ( -0.619 1.598 -3.169) 3.602 6.254 ( 4.758 -2.536 -0.913) 5.469 6.481 ( -4.093 -5.987 0.708) 7.287 7.613 ( -6.096 -3.054 -1.287) 6.938======================= Grid point 65 (46/288) =======================q-point: ( 0.57 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.168 ( 5.010 5.107 -2.173) 7.477 2.240 ( 0.784 4.523 0.176) 4.594 2.523 ( 0.421 -1.053 1.851) 2.170 2.579 ( -3.632 -4.080 1.496) 5.664 3.422 ( 10.754 14.500 0.442) 18.058 4.004 ( -3.962 -2.790 -0.692) 4.895 5.692 ( 1.217 2.322 -0.730) 2.722 5.809 ( 1.186 2.466 2.167) 3.491 5.974 ( -1.574 -3.117 -3.221) 4.750 6.334 ( 2.018 2.503 -1.473) 3.537 6.391 ( -0.833 -1.700 1.663) 2.519 7.508 ( -2.263 -3.176 -0.482) 3.929======================= Grid point 66 (47/288) =======================q-point: (-0.36 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.258 ( 2.561 0.911 -0.883) 2.858 2.298 ( -2.718 7.856 -0.866) 8.358 2.440 ( -2.328 -7.084 2.094) 7.745 2.549 ( 0.189 -0.183 -0.032) 0.265 3.616 ( -9.685 14.123 -0.445) 17.131 3.930 ( 6.470 -8.113 0.417) 10.386 5.728 ( 1.147 0.400 -0.262) 1.243 5.809 ( -4.679 1.785 0.279) 5.015 5.962 ( 6.097 -2.824 -0.427) 6.733 6.330 ( -2.514 3.537 0.190) 4.343 6.410 ( -0.347 0.123 -0.235) 0.437 7.475 ( 1.911 -2.568 -0.033) 3.201======================= Grid point 67 (48/288) =======================q-point: (-0.29 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.199 ( -9.564 -0.000 0.000) 9.564 2.296 ( 0.331 0.000 -0.000) 0.331 2.423 ( 1.723 0.000 -0.000) 1.723 2.557 ( 1.237 0.000 -0.000) 1.237 3.411 ( -17.603 -0.000 0.000) 17.603 4.022 ( 4.329 0.000 -0.000) 4.329 5.706 ( -4.303 -0.000 0.000) 4.303 5.761 ( -0.960 -0.000 0.000) 0.960 6.070 ( 5.985 0.000 -0.000) 5.985 6.334 ( -0.206 -0.000 0.000) 0.206 6.369 ( -1.849 -0.000 0.000) 1.849 7.521 ( 4.770 0.000 -0.000) 4.770======================= Grid point 76 (49/288) =======================q-point: ( 0.36 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.914 ( -0.000 -0.190 -3.115) 3.121 2.039 ( -0.000 3.964 -8.412) 9.299 2.299 ( -0.000 12.545 1.859) 12.682 2.463 ( -0.000 2.229 -1.889) 2.922 2.787 ( 0.000 -4.633 3.405) 5.750 3.887 ( -0.000 18.378 3.648) 18.736 5.327 ( -0.000 2.972 0.400) 2.999 5.759 ( -0.000 0.846 -0.760) 1.137 5.984 ( -0.000 3.460 -0.119) 3.462 6.226 ( 0.000 -5.736 -1.457) 5.918 6.674 ( 0.000 -8.684 -0.633) 8.707 7.926 ( -0.000 -4.638 -2.025) 5.061======================= Grid point 77 (50/288) =======================q-point: ( 0.43 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.907 ( 1.342 1.145 -3.462) 3.885 2.065 ( 4.236 -0.812 -7.845) 8.953 2.456 ( 1.862 6.517 1.775) 7.006 2.527 ( 7.725 6.102 -1.408) 9.944 2.760 ( -0.371 -3.666 4.956) 6.175 4.056 ( 0.169 12.972 2.214) 13.161 5.416 ( 7.265 2.230 0.576) 7.621 5.756 ( -1.555 1.915 -1.529) 2.902 6.020 ( -0.052 3.791 -0.118) 3.793 6.174 ( 0.636 -5.437 -0.074) 5.475 6.581 ( -1.728 -6.511 -1.115) 6.828 7.838 ( -4.612 -3.627 -1.513) 6.059======================= Grid point 78 (51/288) =======================q-point: ( 0.50 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.979 ( 5.359 3.046 -1.786) 6.418 2.121 ( 5.653 -1.157 -3.946) 6.991 2.503 ( 0.367 2.158 0.708) 2.300 2.697 ( -2.051 -0.434 2.522) 3.280 2.845 ( 16.675 4.704 0.838) 17.346 4.143 ( -2.226 6.768 0.673) 7.157 5.593 ( 9.293 2.167 0.993) 9.594 5.741 ( -1.480 1.918 -1.704) 2.962 6.048 ( -0.781 2.651 -1.065) 2.962 6.150 ( 2.742 -3.977 0.692) 4.880 6.484 ( -2.816 -4.361 -0.789) 5.251 7.704 ( -6.950 -2.059 -0.912) 7.305======================= Grid point 79 (52/288) =======================q-point: ( 0.57 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.105 ( 5.827 2.302 -1.081) 6.358 2.209 ( 5.866 0.709 -0.583) 5.937 2.525 ( 0.261 0.772 0.513) 0.963 2.625 ( -4.811 -1.901 1.556) 5.402 3.224 ( 20.602 4.787 0.208) 21.152 4.109 ( -6.806 1.467 -0.207) 6.965 5.710 ( 0.036 2.763 -0.424) 2.796 5.763 ( 4.654 -0.738 0.601) 4.751 6.013 ( -4.231 -0.036 -1.451) 4.473 6.229 ( 8.483 -0.470 0.308) 8.502 6.409 ( -2.157 -1.533 -0.069) 2.647 7.568 ( -6.631 -1.014 -0.357) 6.717======================= Grid point 80 (53/288) =======================q-point: (-0.36 -0.64 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.199 ( 4.302 0.000 -0.000) 4.302 2.313 ( 4.966 0.000 -0.000) 4.966 2.495 ( -6.343 -0.000 0.000) 6.343 2.550 ( -0.725 -0.000 0.000) 0.725 3.599 ( 19.064 0.000 -0.000) 19.064 3.945 ( -12.356 -0.000 0.000) 12.356 5.718 ( 0.282 0.000 -0.000) 0.282 5.842 ( 5.082 0.000 -0.000) 5.082 5.917 ( -5.904 -0.000 0.000) 5.904 6.368 ( 6.072 0.000 -0.000) 6.072 6.375 ( -1.487 -0.000 0.000) 1.487 7.473 ( -3.242 -0.000 0.000) 3.242======================= Grid point 92 (54/288) =======================q-point: ( 0.43 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.887 ( -0.000 -0.368 -2.505) 2.532 1.961 ( -0.000 -3.331 -9.379) 9.953 2.502 ( -0.000 1.974 -0.086) 1.975 2.504 ( -0.000 6.880 1.377) 7.016 2.758 ( 0.000 -1.679 4.549) 4.849 4.172 ( -0.000 8.927 1.637) 9.076 5.363 ( -0.000 0.837 0.188) 0.858 5.787 ( -0.000 2.319 -1.830) 2.955 6.057 ( -0.000 3.279 0.001) 3.279 6.122 ( 0.000 -4.554 1.555) 4.812 6.542 ( 0.000 -3.890 -1.500) 4.169 7.841 ( 0.000 -2.873 -0.991) 3.039======================= Grid point 93 (55/288) =======================q-point: ( 0.50 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.912 ( 3.967 1.287 -0.911) 4.269 1.970 ( 6.429 -3.018 -4.638) 8.482 2.517 ( 0.068 1.099 0.138) 1.110 2.643 ( 9.772 3.611 0.146) 10.419 2.743 ( -1.637 -1.013 2.692) 3.310 4.231 ( -1.212 4.092 0.654) 4.318 5.443 ( 8.213 0.507 0.169) 8.230 5.786 ( -1.699 1.549 -1.300) 2.641 6.078 ( -0.287 1.449 0.367) 1.523 6.096 ( 0.456 -2.302 0.754) 2.464 6.492 ( -1.996 -1.920 -0.889) 2.909 7.781 ( -4.053 -1.359 -0.476) 4.302======================= Grid point 94 (56/288) =======================q-point: (-0.43 -0.57 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.013 ( 6.023 0.000 -0.000) 6.023 2.079 ( 8.486 0.000 -0.000) 8.486 2.525 ( 0.234 0.000 -0.000) 0.234 2.696 ( -3.683 -0.000 0.000) 3.683 2.904 ( 18.154 0.000 -0.000) 18.154 4.210 ( -3.756 -0.000 0.000) 3.756 5.617 ( 10.345 0.000 -0.000) 10.345 5.757 ( -2.157 -0.000 0.000) 2.157 6.071 ( -2.257 -0.000 0.000) 2.257 6.112 ( 3.912 0.000 -0.000) 3.912 6.440 ( -2.568 -0.000 0.000) 2.568 7.681 ( -6.637 -0.000 0.000) 6.637======================= Grid point 109 (57/288) =======================q-point: (-0.50 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 400Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.875 ( 0.000 0.000 0.000) 0.000 1.887 ( 0.000 0.000 0.000) 0.000 2.522 ( 0.000 0.000 0.000) 0.000 2.577 ( 0.000 0.000 0.000) 0.000 2.758 ( 0.000 0.000 0.000) 0.000 4.263 ( 0.000 0.000 0.000) 0.000 5.371 ( 0.000 0.000 0.000) 0.000 5.807 ( 0.000 0.000 0.000) 0.000 6.080 ( 0.000 0.000 0.000) 0.000 6.092 ( 0.000 0.000 0.000) 0.000 6.500 ( 0.000 0.000 0.000) 0.000 7.808 ( 0.000 0.000 0.000) 0.000======================= Grid point 218 (58/288) =======================q-point: ( 0.07 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.228 ( 0.000 -0.000 24.141) 24.141 0.228 ( 0.000 -0.000 24.141) 24.141 0.381 ( 0.000 -0.000 40.419) 40.419 2.103 ( -0.000 0.000 -2.179) 2.179 2.103 ( -0.000 0.000 -2.179) 2.179 3.920 ( -0.000 0.000 -5.887) 5.887 4.896 ( 0.000 -0.000 0.072) 0.072 4.896 ( 0.000 -0.000 0.072) 0.072 6.121 ( 0.000 -0.000 0.029) 0.029 6.121 ( 0.000 -0.000 0.029) 0.029 7.540 ( 0.000 -0.000 1.613) 1.613 8.143 ( -0.000 0.000 -0.524) 0.524======================= Grid point 219 (59/288) =======================q-point: ( 0.14 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.445 ( 15.167 8.757 7.948) 19.232 0.506 ( 14.216 8.208 13.190) 21.058 1.064 ( 33.621 19.411 21.189) 44.229 2.118 ( 1.228 0.709 -1.535) 2.090 2.137 ( 4.279 2.470 -4.513) 6.691 3.453 ( -5.200 -3.002 1.145) 6.113 4.928 ( 2.514 1.452 0.498) 2.946 6.089 ( -2.842 -1.641 -0.019) 3.282 6.094 ( -2.159 -1.247 -0.118) 2.496 6.301 ( 21.979 12.689 -37.738) 45.478 7.496 ( -5.157 -2.977 3.947) 7.144 8.220 ( 1.059 0.611 -9.740) 9.817======================= Grid point 220 (60/288) =======================q-point: ( 0.21 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.840 ( 17.661 10.196 1.460) 20.445 0.885 ( 16.252 9.383 2.789) 18.973 1.856 ( 29.078 16.788 15.973) 37.182 2.150 ( 1.916 1.106 -0.783) 2.347 2.271 ( 10.157 5.864 -7.923) 14.153 3.370 ( -2.685 -1.550 -2.140) 3.767 5.011 ( 4.525 2.612 0.736) 5.276 5.994 ( -5.342 -3.084 -0.332) 6.178 6.031 ( -3.166 -1.828 -0.237) 3.663 6.496 ( 6.321 3.649 -12.402) 14.391 7.349 ( -8.789 -5.074 5.961) 11.770 8.149 ( -4.054 -2.340 -9.882) 10.935======================= Grid point 221 (61/288) =======================q-point: ( 0.29 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.234 ( 16.731 9.660 -1.229) 19.359 1.244 ( 15.349 8.862 -3.455) 18.057 2.201 ( 2.750 1.588 0.152) 3.179 2.292 ( 8.343 4.817 3.659) 10.305 2.680 ( 23.959 13.833 -2.916) 27.819 3.329 ( 0.140 0.081 2.214) 2.219 5.130 ( 5.522 3.188 0.777) 6.424 5.862 ( -5.728 -3.307 -0.678) 6.649 5.964 ( -2.316 -1.337 -0.314) 2.693 6.555 ( 1.130 0.652 -4.473) 4.660 7.147 ( -10.736 -6.198 6.506) 14.000 7.997 ( -5.814 -3.356 -10.585) 12.534======================= Grid point 222 (62/288) =======================q-point: ( 0.36 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.557 ( 13.866 8.006 -7.424) 17.649 1.572 ( 13.244 7.647 -2.833) 15.553 2.278 ( 3.919 2.263 1.213) 4.685 2.444 ( 5.460 3.152 0.067) 6.305 3.006 ( 3.569 2.061 -3.290) 5.274 3.500 ( 14.026 8.098 7.163) 17.710 5.250 ( 4.498 2.597 0.658) 5.235 5.753 ( -3.208 -1.852 -0.946) 3.823 5.939 ( 0.437 0.252 -0.300) 0.587 6.520 ( -3.102 -1.791 -1.556) 3.905 6.898 ( -12.679 -7.320 3.574) 15.071 7.855 ( -3.597 -2.077 -7.968) 8.986======================= Grid point 223 (63/288) =======================q-point: ( 0.43 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.805 ( 8.143 4.702 -3.384) 9.994 1.829 ( 12.560 7.252 -9.080) 17.111 2.383 ( 4.711 2.720 1.828) 5.739 2.549 ( 3.782 2.184 -0.421) 4.387 2.962 ( -5.179 -2.990 2.388) 6.440 3.834 ( 11.714 6.763 3.573) 13.990 5.327 ( 2.166 1.250 0.413) 2.535 5.723 ( 0.996 0.575 -1.275) 1.717 5.981 ( 3.039 1.755 -0.156) 3.513 6.420 ( -5.784 -3.339 2.117) 7.006 6.614 ( -11.341 -6.548 -2.728) 13.377 7.790 ( -0.824 -0.475 -3.454) 3.583======================= Grid point 224 (64/288) =======================q-point: ( 0.50 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.928 ( 3.880 2.240 -2.661) 5.211 2.071 ( 11.151 6.438 -8.791) 15.591 2.483 ( 3.154 1.821 1.550) 3.958 2.604 ( 1.013 0.585 -1.224) 1.694 2.827 ( -7.008 -4.046 5.054) 9.541 4.030 ( 5.030 2.904 2.038) 6.155 5.358 ( 0.649 0.375 0.191) 0.773 5.781 ( 4.119 2.378 -1.662) 5.038 6.052 ( 2.702 1.560 -0.001) 3.120 6.241 ( -9.988 -5.767 3.204) 11.970 6.450 ( -2.131 -1.231 -3.603) 4.364 7.779 ( 0.129 0.074 -0.792) 0.806======================= Grid point 225 (65/288) =======================q-point: (-0.43 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.975 ( 0.965 0.557 -1.187) 1.628 2.254 ( 5.250 3.031 -4.570) 7.592 2.519 ( -0.580 -0.335 0.740) 0.999 2.588 ( -0.593 -0.342 -0.795) 1.049 2.712 ( -3.702 -2.138 1.074) 4.408 4.089 ( -0.213 -0.123 2.138) 2.152 5.364 ( -0.049 -0.028 0.069) 0.089 5.863 ( 1.487 0.859 -0.729) 1.866 6.082 ( -2.045 -1.180 0.122) 2.364 6.085 ( 0.005 0.003 0.071) 0.071 6.443 ( 1.409 0.813 0.462) 1.691 7.784 ( 0.409 0.236 0.356) 0.591======================= Grid point 226 (66/288) =======================q-point: (-0.36 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.965 ( -1.959 -1.131 0.956) 2.456 2.212 ( -7.733 -4.465 5.298) 10.383 2.461 ( -4.353 -2.513 -0.636) 5.067 2.618 ( -2.007 -1.158 0.493) 2.369 2.698 ( 7.497 4.328 -8.148) 11.888 4.026 ( -6.328 -3.653 1.678) 7.497 5.356 ( -0.799 -0.461 -0.023) 0.923 5.809 ( -4.041 -2.333 1.148) 4.805 6.053 ( -2.656 -1.533 0.088) 3.068 6.178 ( 8.233 4.754 -3.148) 10.015 6.512 ( 4.313 2.490 2.631) 5.633 7.806 ( 1.394 0.805 1.845) 2.449======================= Grid point 227 (67/288) =======================q-point: (-0.29 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.878 ( -6.903 -3.985 3.981) 8.910 2.005 ( -12.024 -6.942 8.589) 16.326 2.338 ( -5.367 -3.099 -2.819) 6.809 2.537 ( -4.207 -2.429 -1.432) 5.065 2.890 ( 9.659 5.576 -5.253) 12.328 3.792 ( -14.831 -8.563 -0.484) 17.132 5.321 ( -2.421 -1.398 -0.199) 2.803 5.746 ( -1.270 -0.733 1.072) 1.816 5.984 ( -2.922 -1.687 0.129) 3.376 6.359 ( 7.936 4.582 -4.022) 10.007 6.657 ( 7.735 4.466 1.643) 9.081 7.870 ( 3.592 2.074 4.364) 6.021======================= Grid point 228 (68/288) =======================q-point: (-0.21 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.661 ( -13.593 -7.848 6.373) 16.940 1.725 ( -15.140 -8.741 9.272) 19.789 2.227 ( -3.197 -1.846 -4.197) 5.589 2.414 ( -6.500 -3.753 -2.261) 7.838 3.072 ( 5.523 3.188 1.751) 6.613 3.362 ( -20.630 -11.911 -5.629) 24.477 5.239 ( -4.742 -2.738 -0.491) 5.498 5.768 ( 2.897 1.673 0.658) 3.410 5.944 ( -0.341 -0.197 0.235) 0.458 6.496 ( 5.109 2.950 -3.883) 7.062 6.857 ( 9.470 5.467 -0.642) 10.954 7.995 ( 5.791 3.343 5.967) 8.962======================= Grid point 229 (69/288) =======================q-point: (-0.14 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.321 ( -17.850 -10.306 7.574) 21.959 1.377 ( -18.025 -10.407 9.083) 22.709 2.162 ( -1.565 -0.903 -3.951) 4.344 2.186 ( -14.612 -8.436 -4.875) 17.563 2.760 ( -23.781 -13.730 3.130) 27.637 3.266 ( 5.984 3.455 -3.653) 7.816 5.115 ( -5.605 -3.236 -0.721) 6.512 5.869 ( 5.436 3.138 0.057) 6.277 5.970 ( 2.309 1.333 0.308) 2.684 6.565 ( 2.138 1.234 -3.592) 4.359 7.075 ( 9.917 5.726 -0.760) 11.476 8.148 ( 5.716 3.300 4.553) 8.019======================= Grid point 230 (70/288) =======================q-point: (-0.07 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.921 ( -19.377 -11.187 9.400) 24.269 0.972 ( -20.047 -11.574 9.103) 24.874 1.637 ( -31.353 -18.102 -5.062) 36.555 2.125 ( -0.751 -0.434 -3.354) 3.464 2.366 ( -11.758 -6.789 1.946) 13.716 3.374 ( 3.962 2.288 -1.389) 4.781 4.996 ( -4.396 -2.538 -0.704) 5.124 5.993 ( 5.180 2.990 -0.397) 5.994 6.036 ( 3.082 1.779 0.284) 3.570 6.577 ( 0.190 0.110 -5.150) 5.155 7.293 ( 9.058 5.230 0.827) 10.492 8.262 ( 3.302 1.906 0.617) 3.863======================= Grid point 233 (71/288) =======================q-point: ( 0.14 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.610 ( -0.000 23.842 8.222) 25.220 0.670 ( 0.000 18.946 17.687) 25.919 1.005 ( 0.000 30.417 23.978) 38.732 2.070 ( -0.000 -0.467 -4.830) 4.853 2.164 ( -0.000 6.942 -2.668) 7.437 3.453 ( 0.000 -7.937 0.339) 7.944 4.916 ( -0.000 2.371 -0.221) 2.381 6.073 ( -0.000 -0.400 -4.993) 5.009 6.099 ( 0.000 -2.292 0.157) 2.297 6.183 ( -0.000 28.102 -33.855) 43.999 7.506 ( 0.000 -6.019 4.042) 7.250 8.208 ( -0.000 3.095 -8.779) 9.308======================= Grid point 234 (72/288) =======================q-point: ( 0.21 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.842 ( -0.938 18.511 16.191) 24.611 0.920 ( 4.851 24.444 2.083) 25.008 1.637 ( 24.154 24.851 16.814) 38.519 2.085 ( 3.773 -0.317 -5.137) 6.381 2.248 ( 1.608 10.195 -4.458) 11.243 3.370 ( -1.472 -4.039 -3.413) 5.489 4.976 ( 3.221 3.542 0.226) 4.793 6.021 ( -2.137 -4.912 -0.796) 5.416 6.051 ( -2.130 -2.777 0.035) 3.500 6.377 ( 7.257 9.580 -18.654) 22.191 7.410 ( -4.186 -8.730 5.621) 11.196 8.171 ( -3.290 -0.134 -9.096) 9.674======================= Grid point 235 (73/288) =======================q-point: ( 0.29 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.107 ( 6.818 15.293 8.982) 19.001 1.246 ( 6.716 21.523 -1.993) 22.634 2.152 ( 5.255 1.364 -3.605) 6.517 2.206 ( 11.311 8.101 8.360) 16.231 2.483 ( 15.715 20.303 -4.008) 25.985 3.316 ( 0.333 -2.221 -1.244) 2.567 5.088 ( 4.631 5.032 0.670) 6.872 5.909 ( -4.488 -4.913 -0.854) 6.709 5.986 ( -2.291 -2.222 -0.117) 3.194 6.491 ( 4.679 1.664 -8.327) 9.696 7.242 ( -6.937 -9.798 6.766) 13.781 8.041 ( -6.522 -2.247 -10.066) 12.203======================= Grid point 236 (74/288) =======================q-point: ( 0.36 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.397 ( 9.351 11.397 1.768) 14.848 1.550 ( 7.004 17.961 -3.929) 19.675 2.255 ( 4.251 4.544 -1.010) 6.304 2.377 ( 5.384 3.330 0.123) 6.332 2.919 ( 10.770 9.590 -4.017) 14.970 3.394 ( 9.177 5.509 5.876) 12.211 5.225 ( 4.243 6.167 0.900) 7.540 5.787 ( -4.052 -3.569 -1.042) 5.499 5.942 ( -0.910 -0.495 -0.321) 1.084 6.513 ( 0.634 -2.153 -4.220) 4.779 7.024 ( -9.808 -10.080 5.811) 15.218 7.875 ( -5.428 -2.805 -8.985) 10.865======================= Grid point 237 (75/288) =======================q-point: ( 0.43 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.654 ( 9.699 8.292 -2.784) 13.061 1.798 ( 5.397 13.540 -4.960) 15.397 2.378 ( 3.152 7.463 0.905) 8.152 2.490 ( 5.037 1.873 -0.616) 5.409 2.998 ( -1.115 -1.264 -0.743) 1.842 3.714 ( 12.980 9.341 4.670) 16.660 5.342 ( 1.529 6.514 0.852) 6.745 5.714 ( -0.879 -1.423 -1.260) 2.093 5.953 ( 1.833 1.357 -0.330) 2.305 6.460 ( -2.079 -2.973 -2.007) 4.146 6.743 ( -12.828 -9.505 1.437) 16.030 7.772 ( -1.000 -2.688 -4.696) 5.502======================= Grid point 238 (76/288) =======================q-point: ( 0.50 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.862 ( 7.046 5.635 -3.226) 9.582 1.979 ( 5.476 9.997 -6.591) 13.167 2.500 ( 1.450 7.533 1.961) 7.918 2.572 ( 2.964 0.764 -1.117) 3.258 2.921 ( -5.486 -2.119 2.641) 6.447 3.971 ( 7.313 5.021 2.563) 9.234 5.407 ( -1.557 6.605 0.550) 6.808 5.724 ( 3.081 0.277 -1.537) 3.454 6.016 ( 3.229 1.754 -0.020) 3.675 6.379 ( -7.428 -2.641 3.521) 8.634 6.459 ( -6.471 -6.216 -5.070) 10.306 7.745 ( 1.604 -2.805 -1.297) 3.482======================= Grid point 239 (77/288) =======================q-point: ( 0.57 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.968 ( 1.608 3.690 -1.961) 4.478 2.159 ( 7.722 6.910 -7.234) 12.638 2.558 ( -2.351 2.033 2.423) 3.941 2.595 ( 0.503 0.454 -0.900) 1.127 2.813 ( -7.229 1.842 1.690) 7.649 4.088 ( 2.187 1.424 2.524) 3.631 5.430 ( -3.323 6.584 0.294) 7.381 5.798 ( 4.945 0.182 -1.418) 5.147 6.078 ( 1.975 1.346 0.349) 2.416 6.169 ( -9.126 -2.976 0.407) 9.607 6.414 ( 1.619 -0.911 -0.689) 1.981 7.749 ( 2.188 -2.904 0.034) 3.636======================= Grid point 240 (78/288) =======================q-point: (-0.36 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.992 ( -1.326 1.625 -0.612) 2.185 2.271 ( 0.158 0.723 -1.802) 1.948 2.505 ( -2.378 -1.532 0.319) 2.846 2.609 ( 0.934 0.724 0.101) 1.186 2.730 ( -6.789 6.578 -3.055) 9.934 4.092 ( -3.101 -1.301 2.735) 4.335 5.428 ( -4.250 5.897 0.166) 7.271 5.828 ( -0.586 -3.297 0.406) 3.374 6.064 ( -1.587 -0.928 -0.444) 1.891 6.136 ( 2.684 5.021 -1.497) 5.887 6.458 ( 3.930 -0.117 1.759) 4.308 7.764 ( 2.855 -2.618 0.948) 3.988======================= Grid point 241 (79/288) =======================q-point: (-0.29 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.944 ( -4.640 -2.329 1.908) 5.531 2.172 ( -8.974 -2.559 4.946) 10.562 2.431 ( -6.063 0.056 -2.191) 6.447 2.583 ( -4.408 -1.719 0.083) 4.732 2.782 ( 6.293 7.864 -6.387) 11.926 3.954 ( -11.136 -4.602 1.620) 12.158 5.399 ( -5.163 4.075 0.069) 6.578 5.765 ( -2.083 -2.378 1.005) 3.317 6.016 ( -2.735 -1.590 0.076) 3.164 6.274 ( 6.535 6.209 -3.837) 9.797 6.563 ( 7.199 1.154 2.171) 7.607 7.812 ( 4.801 -1.544 2.613) 5.680======================= Grid point 242 (80/288) =======================q-point: (-0.21 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.780 ( -10.256 -8.061 5.495) 14.155 1.981 ( -13.548 -1.085 5.782) 14.770 2.305 ( -7.475 1.608 -3.753) 8.517 2.475 ( -5.358 -2.851 -0.896) 6.135 2.972 ( 9.203 5.331 -3.672) 11.251 3.620 ( -20.970 -8.064 -0.354) 22.470 5.326 ( -6.598 1.353 -0.079) 6.735 5.746 ( 1.068 0.096 0.725) 1.295 5.960 ( -2.016 -0.631 0.113) 2.116 6.421 ( 5.894 3.963 -4.177) 8.240 6.732 ( 9.696 2.521 0.616) 10.037 7.918 ( 7.198 0.047 3.942) 8.207======================= Grid point 243 (81/288) =======================q-point: (-0.14 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.481 ( -15.652 -11.118 7.169) 20.494 1.715 ( -18.609 -0.939 5.237) 19.354 2.206 ( -4.912 2.032 -4.183) 6.764 2.324 ( -9.192 -3.583 -1.152) 9.933 3.102 ( -26.636 -8.173 4.038) 28.153 3.163 ( 7.069 2.351 -6.468) 9.866 5.206 ( -7.550 -0.634 -0.249) 7.581 5.806 ( 4.564 1.669 0.157) 4.862 5.949 ( 0.873 0.446 0.152) 0.992 6.518 ( 3.621 1.941 -4.097) 5.802 6.937 ( 10.995 2.942 0.292) 11.386 8.066 ( 7.846 0.683 2.770) 8.349======================= Grid point 244 (82/288) =======================q-point: (-0.07 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.099 ( -18.479 -11.180 8.033) 23.043 1.365 ( -22.497 -2.070 3.067) 22.800 2.024 ( -23.424 -3.306 0.885) 23.673 2.152 ( -3.136 1.797 -3.548) 5.065 2.578 ( -21.631 -5.935 -0.298) 22.432 3.303 ( 6.003 1.856 -1.432) 6.444 5.073 ( -6.697 -0.706 -0.230) 6.738 5.918 ( 6.126 1.612 -0.359) 6.345 5.991 ( 3.082 0.433 0.161) 3.116 6.558 ( 0.983 1.097 -4.930) 5.146 7.158 ( 11.310 2.361 1.776) 11.690 8.192 ( 5.980 -0.309 -1.001) 6.071======================= Grid point 248 (83/288) =======================q-point: ( 0.21 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.114 ( -0.000 22.566 5.827) 23.307 1.149 ( 0.000 19.558 13.683) 23.869 1.739 ( 0.000 29.768 15.102) 33.380 2.026 ( -0.000 -0.190 -7.053) 7.056 2.337 ( -0.000 13.373 -5.026) 14.286 3.323 ( -0.000 -4.786 -4.083) 6.291 4.988 ( -0.000 5.037 -0.147) 5.039 5.979 ( 0.000 -5.656 -1.026) 5.748 6.040 ( 0.000 -3.552 0.127) 3.555 6.358 ( -0.000 8.520 -15.229) 17.450 7.362 ( 0.000 -11.359 5.462) 12.604 8.176 ( -0.000 -0.409 -8.347) 8.357======================= Grid point 249 (84/288) =======================q-point: ( 0.29 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.307 ( -2.893 18.986 12.137) 22.719 1.395 ( 1.916 21.869 2.295) 22.073 2.047 ( 5.268 1.213 -7.380) 9.148 2.151 ( 9.974 14.788 10.634) 20.767 2.509 ( 5.018 21.185 -6.510) 22.724 3.274 ( 0.670 -3.072 -1.781) 3.613 5.075 ( 3.463 6.217 0.345) 7.125 5.905 ( -1.784 -5.851 -0.803) 6.169 5.993 ( -1.336 -2.946 0.017) 3.235 6.410 ( 3.324 2.604 -9.444) 10.345 7.233 ( -2.974 -12.538 5.645) 14.068 8.097 ( -4.952 -1.779 -8.382) 9.897======================= Grid point 250 (85/288) =======================q-point: ( 0.36 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.482 ( -0.374 15.733 7.219) 17.314 1.644 ( 3.118 19.387 -0.693) 19.648 2.174 ( 8.654 4.069 -4.670) 10.642 2.353 ( 3.177 5.167 1.940) 6.368 2.844 ( 9.251 14.207 -6.015) 17.989 3.329 ( 6.424 5.567 4.918) 9.821 5.220 ( 4.961 7.676 1.100) 9.205 5.806 ( -3.163 -4.625 -1.056) 5.702 5.950 ( -0.951 -1.153 -0.333) 1.531 6.442 ( 2.709 -2.153 -5.727) 6.692 7.058 ( -5.237 -12.534 5.520) 14.662 7.935 ( -7.573 -2.727 -8.083) 11.407======================= Grid point 251 (86/288) =======================q-point: ( 0.43 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.651 ( 2.822 12.145 1.747) 12.591 1.860 ( 2.644 14.775 -2.180) 15.167 2.371 ( 8.089 7.380 -1.488) 11.051 2.445 ( 2.469 4.616 0.543) 5.262 2.973 ( 2.318 -0.060 -3.510) 4.206 3.621 ( 11.598 12.395 4.795) 17.640 5.383 ( 3.607 8.761 1.680) 9.622 5.717 ( -2.200 -2.475 -1.393) 3.593 5.943 ( 0.586 1.012 -0.865) 1.454 6.423 ( 0.807 -4.103 -4.156) 5.895 6.839 ( -8.675 -11.339 3.712) 14.752 7.770 ( -4.889 -3.339 -5.596) 8.146======================= Grid point 252 (87/288) =======================q-point: ( 0.50 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.828 ( 4.759 9.953 -0.691) 11.054 2.007 ( 1.724 10.017 -3.555) 10.768 2.514 ( 4.063 0.916 -0.273) 4.174 2.570 ( 2.086 9.803 1.716) 10.169 2.974 ( -0.735 0.696 -0.224) 1.037 3.903 ( 8.128 7.207 2.179) 11.080 5.509 ( 0.142 8.959 1.669) 9.114 5.685 ( 0.650 -0.293 -1.609) 1.760 5.983 ( 2.435 1.879 -0.967) 3.224 6.383 ( 0.638 -3.116 -3.159) 4.483 6.570 ( -11.860 -8.322 1.348) 14.551 7.683 ( 0.140 -4.230 -2.135) 4.740======================= Grid point 253 (88/288) =======================q-point: ( 0.57 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.983 ( 2.642 7.823 -1.160) 8.338 2.115 ( 3.342 7.236 -4.691) 9.249 2.567 ( 1.847 -0.273 -0.862) 2.057 2.631 ( -2.207 0.754 3.922) 4.563 2.982 ( -4.685 10.087 -0.437) 11.130 4.055 ( 4.302 1.821 1.786) 5.001 5.575 ( -3.097 8.990 1.065) 9.568 5.719 ( 3.498 0.467 -1.417) 3.803 6.044 ( 3.236 0.992 -0.453) 3.415 6.299 ( -9.506 -5.320 -1.905) 11.059 6.385 ( -0.026 0.008 0.575) 0.576 7.663 ( 2.816 -4.917 -0.331) 5.676======================= Grid point 254 (89/288) =======================q-point: (-0.36 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.048 ( -1.795 5.127 -0.744) 5.483 2.234 ( 4.466 4.502 -4.981) 8.063 2.538 ( -3.485 -2.991 1.578) 4.856 2.599 ( 0.104 -2.109 1.691) 2.705 2.979 ( -9.890 14.012 -1.858) 17.251 4.110 ( 0.962 -1.042 2.502) 2.876 5.589 ( -5.330 8.085 0.546) 9.699 5.777 ( 2.966 -1.389 -0.443) 3.305 6.113 ( 2.855 0.130 -1.066) 3.050 6.128 ( -5.063 1.392 -0.248) 5.257 6.406 ( 1.842 -0.117 0.704) 1.976 7.670 ( 3.742 -4.997 0.329) 6.252======================= Grid point 255 (90/288) =======================q-point: (-0.29 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.022 ( -5.097 1.246 0.239) 5.253 2.268 ( -2.758 -0.077 -0.398) 2.788 2.470 ( -1.431 -1.665 -1.072) 2.443 2.601 ( 1.280 -0.929 1.092) 1.922 2.912 ( -10.870 11.799 -3.208) 16.360 4.069 ( -5.184 -2.583 2.262) 6.217 5.556 ( -6.612 5.573 0.386) 8.656 5.769 ( -0.877 -2.540 0.545) 2.742 6.059 ( -3.091 0.821 0.324) 3.215 6.226 ( 5.063 5.399 -3.543) 8.206 6.460 ( 5.193 -0.909 2.011) 5.643 7.701 ( 5.253 -4.159 1.091) 6.788======================= Grid point 256 (91/288) =======================q-point: (-0.21 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.896 ( -8.834 -3.516 2.320) 9.787 2.170 ( -8.136 -0.367 1.789) 8.339 2.420 ( -3.533 0.504 -2.596) 4.413 2.565 ( -6.646 -0.608 1.393) 6.817 2.902 ( 1.764 6.915 -3.674) 8.027 3.876 ( -14.839 -3.894 1.190) 15.388 5.476 ( -7.774 2.789 0.486) 8.274 5.737 ( -0.385 -0.971 0.385) 1.113 6.007 ( -3.725 0.496 0.074) 3.759 6.353 ( 5.294 4.323 -4.028) 7.934 6.586 ( 9.169 0.085 1.638) 9.314 7.783 ( 7.811 -2.498 1.608) 8.356======================= Grid point 257 (92/288) =======================q-point: (-0.14 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.670 ( -13.577 -5.439 3.713) 15.090 1.987 ( -13.411 -1.167 0.592) 13.474 2.338 ( -7.432 3.629 -2.867) 8.753 2.425 ( -7.046 -2.274 1.404) 7.536 3.037 ( 7.762 2.933 -3.111) 8.861 3.503 ( -24.422 -3.350 1.657) 24.706 5.351 ( -8.972 0.697 0.522) 9.014 5.752 ( 2.676 0.093 -0.157) 2.682 5.960 ( -1.823 0.291 -0.149) 1.852 6.459 ( 4.452 2.434 -3.187) 5.992 6.769 ( 11.053 0.828 1.185) 11.147 7.917 ( 9.298 -1.466 0.219) 9.415======================= Grid point 258 (93/288) =======================q-point: (-0.07 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.364 ( -17.925 -3.689 3.742) 18.679 1.690 ( -18.818 -3.035 -2.233) 19.192 2.240 ( -6.251 2.701 -2.122) 7.132 2.292 ( -9.064 0.315 2.969) 9.543 2.974 ( -24.779 -1.592 -6.057) 25.559 3.226 ( 2.539 2.586 4.981) 6.160 5.204 ( -8.553 0.205 0.510) 8.571 5.822 ( 5.409 -0.135 -0.553) 5.439 5.955 ( 1.097 -0.108 -0.119) 1.108 6.530 ( 2.625 1.724 -2.896) 4.272 6.978 ( 11.973 0.331 2.509) 12.237 8.049 ( 8.294 -2.113 -3.374) 9.200======================= Grid point 263 (94/288) =======================q-point: ( 0.29 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.551 ( -0.000 18.839 2.636) 19.023 1.598 ( 0.000 18.064 10.707) 20.999 1.978 ( -0.000 0.539 -8.663) 8.680 2.244 ( 0.000 12.475 7.787) 14.706 2.655 ( -0.000 21.721 -9.157) 23.573 3.246 ( 0.000 0.384 1.879) 1.918 5.107 ( -0.000 6.794 0.232) 6.798 5.862 ( 0.000 -5.430 -0.346) 5.441 5.974 ( 0.000 -2.817 -0.063) 2.817 6.374 ( -0.000 0.812 -7.546) 7.590 7.143 ( 0.000 -13.763 4.530) 14.489 8.098 ( -0.000 -2.385 -7.333) 7.711======================= Grid point 264 (95/288) =======================q-point: ( 0.36 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.687 ( -3.437 13.772 1.832) 14.312 1.802 ( 0.716 16.304 5.880) 17.347 2.046 ( 8.476 4.751 -6.739) 11.825 2.369 ( 1.881 5.633 1.675) 6.171 2.834 ( 3.836 9.701 -8.346) 13.359 3.344 ( 3.611 12.673 6.706) 14.786 5.215 ( 4.306 7.272 0.769) 8.486 5.799 ( -1.599 -4.230 -0.531) 4.553 5.948 ( -0.373 -1.195 -0.256) 1.278 6.364 ( 1.612 -2.304 -5.180) 5.893 7.002 ( -2.024 -13.674 3.701) 14.310 8.001 ( -5.372 -3.020 -6.623) 9.046======================= Grid point 265 (96/288) =======================q-point: ( 0.43 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.758 ( -0.859 9.930 -0.429) 9.976 1.966 ( 1.012 11.616 1.055) 11.708 2.281 ( 10.166 9.147 -1.017) 13.714 2.454 ( 3.082 5.288 -0.807) 6.173 2.905 ( 3.089 -1.389 -3.617) 4.955 3.619 ( 6.925 16.945 4.712) 18.903 5.389 ( 6.218 8.020 1.690) 10.288 5.728 ( -2.273 -2.316 -1.191) 3.457 5.943 ( 0.220 0.968 -0.928) 1.359 6.344 ( 1.561 -4.459 -3.738) 6.025 6.834 ( -3.809 -12.546 2.862) 13.420 7.834 ( -7.648 -3.220 -5.281) 9.836======================= Grid point 266 (97/288) =======================q-point: ( 0.50 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.867 ( 2.681 9.328 -0.575) 9.723 2.074 ( 0.711 7.883 -1.277) 8.018 2.458 ( 4.043 2.514 0.751) 4.820 2.616 ( 4.418 9.278 1.311) 10.360 2.944 ( 5.037 0.784 -1.220) 5.242 3.876 ( 5.274 10.576 1.645) 11.933 5.563 ( 3.683 7.177 2.461) 8.434 5.686 ( -0.589 0.781 -1.577) 1.856 5.967 ( 1.106 2.150 -2.053) 3.171 6.315 ( 1.753 -4.071 -2.958) 5.329 6.643 ( -6.382 -9.939 1.812) 11.950 7.675 ( -5.035 -3.559 -2.941) 6.831======================= Grid point 267 (98/288) =======================q-point: ( 0.57 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.015 ( 3.723 9.042 -0.773) 9.809 2.144 ( 0.368 5.925 -1.573) 6.141 2.527 ( 2.512 0.470 0.355) 2.580 2.670 ( -2.025 -2.090 3.033) 4.204 3.118 ( 4.449 14.333 -0.597) 15.020 4.008 ( 2.867 2.378 0.389) 3.745 5.647 ( 1.555 2.474 0.334) 2.941 5.726 ( -0.120 6.065 0.592) 6.095 5.997 ( 1.789 -0.007 -2.414) 3.005 6.312 ( 1.102 -1.311 -2.832) 3.309 6.454 ( -6.774 -4.512 1.843) 8.345 7.584 ( -0.336 -4.548 -0.928) 4.653======================= Grid point 268 (99/288) =======================q-point: ( 0.64 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.138 ( -0.123 8.161 -0.643) 8.188 2.204 ( 2.164 4.182 -2.326) 5.251 2.555 ( 0.284 -0.439 -0.483) 0.712 2.584 ( -2.847 -6.233 3.507) 7.698 3.279 ( -5.624 18.161 -1.106) 19.044 4.052 ( 3.462 -3.382 1.170) 4.979 5.705 ( 2.269 2.237 -0.195) 3.192 5.753 ( -3.111 4.057 0.481) 5.135 6.024 ( 4.379 -2.730 -1.396) 5.346 6.253 ( -6.002 2.319 -0.483) 6.452 6.399 ( 0.031 0.748 0.256) 0.791 7.558 ( 2.809 -5.285 -0.075) 5.986======================= Grid point 269 (100/288) =======================q-point: (-0.29 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.146 ( -5.943 4.595 -0.011) 7.513 2.273 ( 1.861 2.086 -2.941) 4.058 2.477 ( -2.215 -4.105 2.086) 5.110 2.568 ( 1.299 -1.173 0.513) 1.824 3.256 ( -14.293 13.449 -1.514) 19.684 4.074 ( 2.100 -3.637 1.597) 4.493 5.702 ( -5.566 2.114 0.337) 5.964 5.752 ( 1.119 -0.199 0.018) 1.137 6.083 ( 3.977 -1.228 -0.645) 4.212 6.224 ( -1.859 6.988 -0.625) 7.258 6.404 ( 0.658 -0.882 0.321) 1.146 7.572 ( 4.639 -4.605 0.243) 6.541======================= Grid point 270 (101/288) =======================q-point: (-0.21 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.035 ( -9.172 -0.217 0.496) 9.188 2.264 ( -3.247 -0.033 -1.681) 3.657 2.443 ( -0.520 -0.251 0.610) 0.840 2.597 ( 1.993 -0.413 1.221) 2.374 3.090 ( -14.405 6.417 -1.253) 15.819 4.027 ( -5.576 -2.178 0.783) 6.037 5.617 ( -6.057 0.692 0.634) 6.129 5.745 ( -1.232 -0.394 0.028) 1.294 6.085 ( -3.325 0.874 -0.543) 3.480 6.306 ( 3.528 5.064 -2.977) 6.852 6.444 ( 6.497 -2.104 1.909) 7.091 7.633 ( 6.706 -2.622 0.147) 7.202======================= Grid point 271 (102/288) =======================q-point: (-0.14 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.853 ( -11.213 -1.483 0.640) 11.328 2.154 ( -8.238 -1.365 -2.430) 8.697 2.436 ( -1.889 1.929 0.619) 2.770 2.563 ( -7.528 -0.828 1.386) 7.700 2.978 ( -0.793 1.666 -0.696) 1.972 3.836 ( -15.529 -0.375 0.753) 15.552 5.506 ( -8.006 -0.138 1.043) 8.075 5.725 ( 0.025 -0.340 -0.729) 0.805 6.013 ( -4.217 -0.166 -0.810) 4.297 6.399 ( 4.082 2.290 -1.928) 5.062 6.588 ( 10.676 -0.955 1.418) 10.812 7.745 ( 8.477 -1.120 -1.294) 8.648======================= Grid point 272 (103/288) =======================q-point: (-0.07 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.631 ( -14.293 0.513 -0.295) 14.305 1.934 ( -14.268 -2.607 -4.388) 15.154 2.389 ( -9.759 -0.988 0.763) 9.839 2.414 ( -3.999 2.890 1.295) 5.101 3.038 ( 4.467 -0.610 -2.625) 5.217 3.530 ( -21.438 3.872 4.084) 22.164 5.356 ( -8.870 -0.760 0.989) 8.957 5.743 ( 2.840 -0.554 -1.083) 3.089 5.956 ( -1.734 -0.327 -0.475) 1.827 6.479 ( 4.113 0.897 -1.257) 4.393 6.777 ( 11.992 -1.299 2.218) 12.264 7.871 ( 8.293 -1.484 -4.417) 9.512======================= Grid point 278 (104/288) =======================q-point: ( 0.36 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.859 ( -0.000 11.926 -3.463) 12.418 1.898 ( -0.000 1.736 -0.492) 1.804 2.027 ( -0.000 14.545 -0.240) 14.547 2.402 ( -0.000 3.755 -0.979) 3.880 2.841 ( -0.000 2.045 -3.817) 4.330 3.500 ( -0.000 19.995 6.540) 21.037 5.240 ( -0.000 5.947 0.535) 5.971 5.777 ( 0.000 -2.807 -0.360) 2.830 5.944 ( -0.000 0.218 -0.231) 0.318 6.311 ( -0.000 -3.300 -3.391) 4.732 6.893 ( 0.000 -13.308 1.918) 13.445 7.998 ( -0.000 -3.475 -5.482) 6.491======================= Grid point 279 (105/288) =======================q-point: ( 0.43 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.846 ( -2.023 4.430 -4.832) 6.860 2.005 ( 4.187 4.406 -3.608) 7.068 2.242 ( 7.064 14.135 1.885) 15.914 2.443 ( 2.015 3.155 -2.021) 4.254 2.844 ( 0.890 -2.333 1.207) 2.773 3.739 ( 2.246 19.313 4.200) 19.892 5.347 ( 5.936 5.204 0.842) 7.939 5.741 ( -1.578 -1.112 -1.006) 2.177 5.954 ( -0.055 2.168 -0.398) 2.205 6.272 ( 0.671 -4.411 -1.711) 4.778 6.760 ( -1.445 -11.853 0.651) 11.958 7.902 ( -5.143 -3.428 -4.338) 7.551======================= Grid point 280 (106/288) =======================q-point: ( 0.50 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.889 ( 2.812 5.472 -2.966) 6.829 2.093 ( 3.467 2.958 -3.062) 5.491 2.444 ( 2.244 4.738 1.837) 5.555 2.598 ( 9.359 9.897 -0.637) 13.636 2.844 ( 3.497 -3.128 2.281) 5.217 3.946 ( 1.389 13.324 1.524) 13.483 5.530 ( 8.176 4.957 1.513) 9.680 5.704 ( -1.564 0.680 -1.692) 2.402 5.979 ( -0.056 3.294 -1.236) 3.518 6.238 ( 1.339 -4.520 -0.659) 4.760 6.619 ( -2.696 -9.741 0.019) 10.107 7.749 ( -7.334 -2.785 -2.848) 8.346======================= Grid point 281 (107/288) =======================q-point: ( 0.57 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.013 ( 5.025 6.303 -1.454) 8.191 2.169 ( 2.801 3.241 -1.312) 4.480 2.505 ( 1.446 1.625 1.119) 2.446 2.689 ( -2.199 -2.334 2.356) 3.979 3.066 ( 15.342 10.098 0.446) 18.372 4.039 ( -1.826 5.626 -0.313) 5.923 5.654 ( 0.514 2.478 0.076) 2.532 5.742 ( 4.468 3.371 0.487) 5.618 5.991 ( -1.364 1.574 -2.573) 3.310 6.248 ( 4.064 -1.516 -0.397) 4.355 6.485 ( -3.331 -6.463 0.317) 7.278 7.601 ( -5.807 -2.451 -1.328) 6.441======================= Grid point 282 (108/288) =======================q-point: ( 0.64 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.149 ( 4.506 5.006 -1.708) 6.948 2.243 ( 1.286 4.974 0.373) 5.151 2.536 ( 0.860 -0.208 0.879) 1.247 2.594 ( -4.249 -5.585 1.550) 7.187 3.426 ( 10.477 14.768 0.356) 18.110 3.998 ( -3.647 -2.990 -0.557) 4.749 5.686 ( 1.231 2.298 -0.620) 2.680 5.828 ( 1.174 2.554 1.864) 3.373 5.947 ( -1.286 -2.737 -2.454) 3.895 6.320 ( 1.899 2.779 -1.275) 3.599 6.404 ( -0.791 -1.828 1.186) 2.319 7.504 ( -2.053 -2.970 -0.381) 3.631======================= Grid point 283 (109/288) =======================q-point: (-0.29 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.245 ( 2.996 2.454 -1.752) 4.251 2.295 ( -3.576 6.703 0.221) 7.601 2.459 ( -2.185 -7.741 1.944) 8.275 2.549 ( 0.230 -0.135 -0.030) 0.269 3.611 ( -10.162 14.436 -0.510) 17.662 3.934 ( 7.007 -8.417 0.478) 10.962 5.726 ( 1.289 0.628 -0.259) 1.457 5.812 ( -5.123 1.508 0.454) 5.360 5.956 ( 6.522 -2.371 -0.755) 6.981 6.333 ( -2.153 3.534 0.442) 4.162 6.407 ( -0.718 0.167 -0.438) 0.857 7.475 ( 1.999 -2.543 -0.044) 3.235======================= Grid point 284 (110/288) =======================q-point: (-0.21 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.199 ( -9.579 -0.130 0.013) 9.580 2.283 ( 0.007 0.844 -2.426) 2.568 2.438 ( 1.979 -0.517 2.799) 3.467 2.558 ( 1.407 -0.199 0.198) 1.435 3.412 ( -17.632 0.868 0.194) 17.655 4.021 ( 4.335 -0.864 -0.306) 4.431 5.705 ( -4.018 -0.037 -0.082) 4.019 5.764 ( -1.248 -0.048 0.623) 1.396 6.061 ( 5.665 -0.012 -1.885) 5.971 6.339 ( -0.116 0.917 1.196) 1.512 6.367 ( -1.760 -0.579 -0.533) 1.928 7.520 ( 4.697 -0.174 -0.223) 4.705======================= Grid point 285 (111/288) =======================q-point: (-0.14 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.025 ( -9.866 -0.622 -0.362) 9.892 2.237 ( -4.441 -0.636 -3.705) 5.819 2.478 ( 0.042 2.105 3.228) 3.854 2.594 ( 2.085 -0.653 1.104) 2.448 3.112 ( -13.889 -4.247 0.935) 14.554 4.013 ( -5.170 0.841 -0.657) 5.279 5.620 ( -5.956 -0.920 0.853) 6.087 5.737 ( -1.617 -0.254 -0.762) 1.805 6.069 ( -2.788 -1.095 -2.020) 3.613 6.364 ( 2.230 -0.772 2.172) 3.207 6.406 ( 7.696 -0.708 -1.396) 7.853 7.619 ( 5.997 1.786 -1.171) 6.366======================= Grid point 286 (112/288) =======================q-point: (-0.07 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.853 ( -10.781 1.852 -1.979) 11.116 2.096 ( -9.349 -1.634 -5.170) 10.808 2.487 ( -2.996 0.829 3.376) 4.589 2.550 ( -6.996 -0.244 -0.118) 7.001 2.958 ( 1.138 -3.602 1.997) 4.273 3.872 ( -12.991 3.188 0.851) 13.403 5.482 ( -7.673 -3.204 0.995) 8.374 5.717 ( -0.313 0.653 -1.590) 1.747 5.999 ( -3.340 -0.063 -0.688) 3.411 6.408 ( 3.751 -1.519 1.085) 4.190 6.560 ( 11.433 -2.235 -0.660) 11.668 7.736 ( 5.976 1.651 -3.110) 6.936======================= Grid point 293 (113/288) =======================q-point: ( 0.43 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.879 ( -0.000 0.120 -4.117) 4.119 1.948 ( -0.000 2.028 -10.568) 10.761 2.321 ( -0.000 12.195 2.582) 12.465 2.451 ( -0.000 2.968 -0.689) 3.047 2.828 ( 0.000 -2.661 4.908) 5.583 3.918 ( -0.000 17.253 2.931) 17.501 5.330 ( -0.000 2.865 0.411) 2.894 5.749 ( -0.000 0.438 -1.405) 1.472 5.983 ( -0.000 3.540 -0.155) 3.544 6.222 ( 0.000 -4.538 0.577) 4.575 6.665 ( 0.000 -9.604 -1.168) 9.674 7.901 ( -0.000 -3.458 -3.323) 4.796======================= Grid point 294 (114/288) =======================q-point: ( 0.50 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.872 ( 1.717 2.172 -3.754) 4.665 1.993 ( 6.402 -0.922 -7.111) 9.612 2.471 ( 1.234 4.965 1.557) 5.347 2.520 ( 7.714 7.526 -0.125) 10.778 2.808 ( -0.690 -3.455 5.188) 6.271 4.072 ( -0.180 12.262 1.132) 12.316 5.421 ( 7.515 2.060 0.400) 7.802 5.740 ( -1.595 1.697 -1.805) 2.946 6.018 ( -0.269 3.936 -0.245) 3.953 6.182 ( 0.263 -4.689 1.780) 5.023 6.567 ( -1.430 -6.862 -1.925) 7.269 7.820 ( -4.558 -2.671 -2.212) 5.727======================= Grid point 295 (115/288) =======================q-point: ( 0.57 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.965 ( 5.677 3.953 -1.173) 7.016 2.087 ( 7.182 -0.447 -3.157) 7.858 2.510 ( 0.463 1.695 0.874) 1.962 2.714 ( -0.430 0.235 1.014) 1.126 2.861 ( 14.474 3.302 2.516) 15.058 4.145 ( -2.585 6.566 -0.361) 7.065 5.601 ( 9.723 1.819 0.541) 9.906 5.725 ( -1.402 2.241 -1.614) 3.097 6.039 ( -1.554 2.894 -0.797) 3.380 6.162 ( 2.463 -3.813 1.798) 4.883 6.474 ( -2.319 -4.208 -1.436) 5.014 7.694 ( -6.842 -1.406 -1.129) 7.076======================= Grid point 296 (116/288) =======================q-point: ( 0.64 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.099 ( 5.591 2.971 -0.175) 6.334 2.204 ( 6.492 1.230 -0.689) 6.643 2.530 ( 0.402 0.343 0.601) 0.800 2.636 ( -5.000 -2.989 0.760) 5.874 3.229 ( 20.561 4.466 0.794) 21.056 4.104 ( -6.925 1.761 -0.833) 7.194 5.706 ( -0.386 2.867 -0.400) 2.920 5.767 ( 5.535 -0.938 0.183) 5.616 6.003 ( -4.504 1.005 -0.576) 4.650 6.232 ( 7.838 -0.691 0.330) 7.875 6.408 ( -1.639 -1.463 -0.154) 2.203 7.565 ( -6.551 -0.646 -0.365) 6.593======================= Grid point 297 (117/288) =======================q-point: (-0.29 -0.57 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.203 ( 4.096 1.263 0.716) 4.346 2.311 ( 5.113 -0.022 -0.400) 5.129 2.493 ( -6.376 -2.020 -0.424) 6.702 2.550 ( -0.621 0.076 -0.051) 0.628 3.600 ( 18.948 -0.631 0.178) 18.959 3.944 ( -12.233 0.757 -0.168) 12.257 5.719 ( 0.254 0.581 0.168) 0.656 5.837 ( 4.616 -1.786 -0.984) 5.046 5.923 ( -5.497 1.993 1.142) 5.957 6.359 ( 3.625 1.420 -1.264) 4.094 6.384 ( 0.971 -1.495 1.172) 2.133 7.474 ( -3.240 0.202 0.024) 3.247======================= Grid point 298 (118/288) =======================q-point: (-0.21 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.262 ( 0.635 -0.837 0.130) 1.059 2.309 ( -1.490 -7.015 1.260) 7.281 2.422 ( -1.152 5.802 -1.583) 6.124 2.550 ( 0.164 0.227 0.018) 0.281 3.619 ( -9.015 -14.094 0.262) 16.733 3.927 ( 5.708 8.122 -0.246) 9.930 5.731 ( 0.763 -0.072 0.189) 0.789 5.807 ( -3.553 -2.434 -0.164) 4.310 5.965 ( 4.758 3.703 0.191) 6.032 6.329 ( -2.506 -3.652 -0.056) 4.430 6.412 ( -0.126 -0.082 0.097) 0.178 7.475 ( 1.760 2.635 0.017) 3.169======================= Grid point 299 (119/288) =======================q-point: (-0.14 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.143 ( -6.046 -4.385 -0.177) 7.471 2.290 ( -2.192 1.148 -1.834) 3.080 2.476 ( 2.730 1.454 2.625) 4.057 2.563 ( 0.823 0.845 -0.171) 1.192 3.281 ( -13.627 -12.795 0.957) 18.717 4.048 ( 1.668 2.914 -0.975) 3.496 5.702 ( -5.157 -2.331 0.284) 5.666 5.749 ( 0.168 -0.168 -0.192) 0.305 6.072 ( 2.063 2.464 -1.514) 3.552 6.244 ( 1.435 -6.828 1.123) 7.067 6.398 ( -0.973 0.482 -0.248) 1.114 7.566 ( 4.020 4.570 -0.398) 6.100======================= Grid point 300 (120/288) =======================q-point: (-0.07 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.007 ( -6.734 -0.759 -1.205) 6.883 2.212 ( -7.038 1.166 -5.045) 8.737 2.536 ( 0.448 0.358 4.632) 4.668 2.589 ( 1.070 0.282 -0.324) 1.153 2.965 ( -8.374 -10.274 2.120) 13.423 4.041 ( -4.494 1.944 -0.469) 4.919 5.558 ( -6.437 -6.123 0.582) 8.903 5.749 ( -1.556 2.654 -1.515) 3.429 6.052 ( -2.835 0.546 -0.379) 2.911 6.286 ( 7.284 -6.787 2.573) 10.283 6.413 ( 3.057 1.404 -2.699) 4.313 7.678 ( 3.877 4.327 -1.173) 5.927======================= Grid point 308 (121/288) =======================q-point: ( 0.50 0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.866 ( -0.000 0.576 -1.783) 1.874 1.885 ( -0.000 -0.550 -6.614) 6.636 2.505 ( -0.000 1.935 0.714) 2.062 2.516 ( -0.000 6.312 0.971) 6.386 2.800 ( 0.000 -3.166 4.242) 5.293 4.180 ( -0.000 8.415 0.119) 8.416 5.364 ( -0.000 0.746 0.118) 0.755 5.770 ( -0.000 2.486 -1.711) 3.018 6.057 ( -0.000 3.317 -0.049) 3.317 6.142 ( 0.000 -4.706 2.634) 5.393 6.523 ( -0.000 -3.372 -2.446) 4.165 7.829 ( -0.000 -2.093 -1.423) 2.531======================= Grid point 309 (122/288) =======================q-point: ( 0.57 0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.908 ( 4.113 2.842 0.072) 5.001 1.939 ( 6.930 -0.537 -1.817) 7.185 2.521 ( 0.077 0.784 0.726) 1.071 2.642 ( 8.888 3.365 -0.391) 9.512 2.769 ( -0.988 -3.136 2.647) 4.221 4.230 ( -1.279 3.885 -0.902) 4.189 5.444 ( 8.249 0.400 -0.021) 8.259 5.775 ( -1.659 2.427 -0.885) 3.070 6.080 ( -0.403 1.930 0.012) 1.972 6.108 ( 0.354 -3.803 1.635) 4.154 6.480 ( -1.860 -0.918 -1.634) 2.640 7.776 ( -4.020 -0.774 -0.659) 4.147======================= Grid point 310 (123/288) =======================q-point: (-0.36 -0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.016 ( 6.206 0.223 0.499) 6.230 2.086 ( 7.823 2.361 1.558) 8.319 2.527 ( 0.183 -0.357 0.444) 0.599 2.690 ( -3.480 -1.407 -1.153) 3.926 2.909 ( 18.002 -0.713 0.916) 18.040 4.205 ( -3.624 0.128 -1.208) 3.823 5.615 ( 10.280 -0.322 -0.420) 10.294 5.758 ( -2.185 1.084 0.284) 2.455 6.073 ( -2.155 0.571 0.510) 2.287 6.113 ( 3.883 -1.180 0.247) 4.066 6.438 ( -2.472 0.770 -0.463) 2.630 7.681 ( -6.617 0.420 -0.098) 6.631======================= Grid point 311 (124/288) =======================q-point: (-0.29 -0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.118 ( 6.185 -1.939 1.642) 6.687 2.215 ( 4.761 0.095 0.739) 4.819 2.520 ( -0.160 -1.509 -0.618) 1.638 2.608 ( -4.350 0.989 -1.988) 4.884 3.225 ( 20.395 -5.092 0.400) 21.025 4.108 ( -6.381 -1.083 -0.446) 6.488 5.713 ( 1.132 -3.029 0.128) 3.236 5.757 ( 3.084 0.840 -0.634) 3.258 6.030 ( -3.865 1.162 2.135) 4.566 6.226 ( 8.743 0.419 -0.345) 8.760 6.409 ( -2.344 1.437 -0.031) 2.750 7.572 ( -6.651 1.365 0.275) 6.795======================= Grid point 312 (125/288) =======================q-point: (-0.21 -0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.187 ( 5.326 -6.359 1.729) 8.473 2.243 ( 0.481 -2.745 0.861) 2.917 2.500 ( -0.625 1.812 -3.001) 3.561 2.568 ( -2.399 2.451 -0.923) 3.551 3.418 ( 10.657 -14.425 -0.440) 17.940 4.011 ( -3.917 2.790 0.690) 4.859 5.699 ( 1.331 -2.520 0.632) 2.919 5.789 ( 1.107 -2.197 -1.968) 3.151 6.006 ( -1.982 3.648 3.483) 5.419 6.347 ( 2.581 -2.152 1.331) 3.615 6.374 ( -1.347 1.336 -1.910) 2.693 7.512 ( -2.429 3.449 0.490) 4.246======================= Grid point 313 (126/288) =======================q-point: (-0.14 -0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.142 ( -0.778 -7.667 0.079) 7.707 2.265 ( 3.580 -2.595 3.386) 5.569 2.509 ( -1.981 4.608 -4.060) 6.453 2.561 ( 0.268 0.962 0.222) 1.023 3.287 ( -4.550 -17.954 -0.287) 18.524 4.042 ( 2.033 2.830 0.267) 3.495 5.705 ( 0.759 -4.716 -0.243) 4.782 5.748 ( -0.792 -1.228 0.023) 1.462 6.056 ( 2.444 2.814 1.829) 4.151 6.252 ( -6.950 -1.592 -0.630) 7.158 6.397 ( 0.885 -1.041 0.068) 1.368 7.562 ( 2.231 5.509 0.344) 5.954======================= Grid point 314 (127/288) =======================q-point: (-0.07 0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.056 ( -2.352 -4.073 -0.000) 4.703 2.294 ( -0.301 -0.521 -0.000) 0.601 2.506 ( 0.570 0.987 -0.000) 1.140 2.589 ( 0.818 1.416 -0.000) 1.635 2.998 ( -8.492 -14.709 -0.000) 16.984 4.084 ( 0.376 0.651 -0.000) 0.751 5.584 ( -4.796 -8.308 -0.000) 9.593 5.782 ( 1.414 2.449 -0.000) 2.828 6.124 ( 0.662 1.147 0.000) 1.325 6.130 ( -1.913 -3.313 -0.000) 3.825 6.399 ( 0.338 0.586 -0.000) 0.677 7.667 ( 3.030 5.248 0.000) 6.060======================= Grid point 324 (128/288) =======================q-point: (-0.43 -0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.880 ( 0.000 0.957 1.030) 1.406 1.905 ( 0.000 3.920 3.748) 5.424 2.525 ( 0.000 -0.287 0.656) 0.717 2.574 ( -0.000 -0.499 -0.566) 0.754 2.757 ( 0.000 -2.366 -0.203) 2.375 4.255 ( -0.000 -0.174 -1.711) 1.720 5.370 ( -0.000 -0.056 -0.066) 0.086 5.810 ( -0.000 1.321 0.523) 1.421 6.080 ( 0.000 -1.642 0.116) 1.646 6.091 ( -0.000 0.005 -0.073) 0.074 6.497 ( -0.000 1.239 -0.740) 1.443 7.808 ( -0.000 0.505 -0.179) 0.535======================= Grid point 325 (129/288) =======================q-point: (-0.36 -0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.925 ( 3.623 0.011 1.778) 4.035 2.024 ( 5.290 5.090 6.745) 9.969 2.518 ( -0.026 -1.509 0.329) 1.545 2.639 ( 10.183 -3.141 -0.735) 10.681 2.720 ( -1.579 -1.586 -2.274) 3.190 4.218 ( -1.003 -4.191 -2.117) 4.802 5.441 ( 8.059 -0.619 -0.323) 8.090 5.799 ( -1.809 -0.857 1.471) 2.484 6.072 ( -0.056 -0.710 -0.829) 1.093 6.094 ( 0.673 0.996 0.355) 1.253 6.497 ( -2.064 2.800 0.090) 3.480 7.784 ( -4.051 1.817 0.174) 4.443======================= Grid point 326 (130/288) =======================q-point: (-0.29 -0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.997 ( 4.950 -2.505 1.838) 5.844 2.161 ( 3.857 1.482 4.561) 6.155 2.496 ( 0.113 -2.891 -0.857) 3.017 2.669 ( -2.423 0.727 -3.298) 4.156 2.845 ( 17.543 -5.225 0.835) 18.324 4.133 ( -1.646 -6.783 -1.590) 7.159 5.583 ( 8.841 -2.510 -1.214) 9.270 5.756 ( -1.615 -1.739 1.423) 2.767 6.057 ( 0.464 -2.509 0.776) 2.667 6.150 ( 2.521 4.564 0.853) 5.283 6.488 ( -3.143 4.470 0.063) 5.465 7.711 ( -6.941 2.571 0.491) 7.418======================= Grid point 327 (131/288) =======================q-point: (-0.21 -0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.036 ( 4.415 -7.007 0.599) 8.304 2.208 ( 1.427 -2.707 3.015) 4.296 2.476 ( 1.412 -1.607 -1.932) 2.883 2.637 ( -2.110 2.222 -2.850) 4.184 3.070 ( 14.880 -9.404 0.743) 17.618 4.039 ( -0.706 -6.223 -0.356) 6.273 5.639 ( 2.715 -4.117 -1.350) 5.113 5.740 ( 1.163 -2.081 0.322) 2.405 6.048 ( 0.317 -1.887 3.032) 3.585 6.265 ( 4.765 3.764 1.468) 6.247 6.472 ( -4.706 5.469 -1.116) 7.301 7.624 ( -6.170 3.672 0.985) 7.247======================= Grid point 328 (132/288) =======================q-point: (-0.14 -0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.023 ( 3.996 -9.245 0.247) 10.075 2.200 ( 1.445 -4.637 3.943) 6.255 2.505 ( 2.755 0.628 -2.297) 3.642 2.611 ( -2.355 1.764 -2.545) 3.890 3.118 ( 3.973 -13.841 -0.513) 14.409 4.008 ( 2.852 -3.729 0.369) 4.709 5.630 ( 1.925 -5.123 -1.222) 5.607 5.729 ( 0.418 -2.516 0.765) 2.662 6.047 ( 0.675 -1.992 2.621) 3.361 6.363 ( 2.398 2.164 2.088) 3.847 6.411 ( -8.240 5.190 -2.238) 9.992 7.607 ( -1.270 5.445 1.356) 5.753======================= Grid point 339 (133/288) =======================q-point: (-0.36 -0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.912 ( 0.000 0.928 2.784) 2.935 2.057 ( 0.000 4.829 10.593) 11.641 2.490 ( 0.000 -7.231 -1.567) 7.399 2.507 ( 0.000 -1.753 1.040) 2.038 2.716 ( -0.000 0.293 -4.440) 4.450 4.150 ( 0.000 -9.199 -2.920) 9.651 5.361 ( 0.000 -0.920 -0.221) 0.946 5.803 ( 0.000 -2.535 1.528) 2.960 6.056 ( 0.000 -3.225 -0.051) 3.225 6.113 ( -0.000 5.096 -0.332) 5.107 6.552 ( -0.000 4.376 0.556) 4.411 7.847 ( -0.000 3.380 0.313) 3.394======================= Grid point 340 (134/288) =======================q-point: (-0.29 -0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.935 ( 1.072 -0.969 2.547) 2.928 2.135 ( 2.081 -0.679 6.819) 7.161 2.438 ( 2.230 -7.523 -1.905) 8.074 2.546 ( 7.398 -5.020 2.676) 9.332 2.719 ( 0.299 4.845 -3.508) 5.989 4.032 ( 0.604 -13.351 -2.939) 13.684 5.411 ( 6.917 -2.379 -0.629) 7.341 5.767 ( -1.419 -2.271 0.947) 2.841 6.020 ( 0.066 -3.567 -0.071) 3.568 6.183 ( 1.052 6.365 1.804) 6.699 6.588 ( -1.975 6.361 0.302) 6.667 7.847 ( -4.545 4.266 0.461) 6.250======================= Grid point 341 (135/288) =======================q-point: (-0.21 -0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.922 ( 0.974 -6.589 0.058) 6.661 2.151 ( 1.989 -5.541 2.980) 6.599 2.412 ( 2.928 -4.619 -1.262) 5.612 2.595 ( 4.898 -7.521 -1.240) 9.060 2.841 ( 6.535 5.285 2.111) 8.666 3.910 ( 2.889 -14.880 -2.147) 15.309 5.498 ( 6.927 -5.290 -1.664) 8.873 5.731 ( -1.146 -0.939 1.005) 1.790 6.000 ( 1.531 -3.252 0.788) 3.680 6.279 ( 1.641 6.453 3.433) 7.491 6.611 ( -3.747 8.122 -0.912) 8.991 7.788 ( -7.314 4.795 1.087) 8.813======================= Grid point 342 (136/288) =======================q-point: (-0.14 -0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.861 ( 3.092 -10.467 -0.902) 10.952 2.125 ( 2.015 -8.074 3.488) 9.024 2.443 ( 3.868 -1.041 -0.814) 4.087 2.580 ( 2.907 -7.431 -2.132) 8.260 2.969 ( 3.396 0.227 1.213) 3.613 3.846 ( 6.712 -12.925 -1.348) 14.626 5.520 ( 3.783 -7.080 -1.899) 8.249 5.715 ( -0.516 -0.381 1.305) 1.454 6.002 ( 1.659 -3.381 1.502) 4.055 6.375 ( 1.223 5.075 2.990) 6.016 6.605 ( -6.461 8.806 -2.076) 11.118 7.728 ( -5.653 5.733 2.337) 8.384======================= Grid point 354 (137/288) =======================q-point: (-0.29 -0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.934 ( 0.000 -0.890 1.107) 1.420 2.099 ( 0.000 -7.200 3.921) 8.199 2.288 ( 0.000 -11.738 -0.370) 11.743 2.484 ( 0.000 -2.626 2.366) 3.535 2.770 ( -0.000 8.109 -0.008) 8.109 3.851 ( 0.000 -19.098 -3.733) 19.459 5.323 ( 0.000 -3.022 -0.312) 3.038 5.763 ( 0.000 -1.219 0.091) 1.223 5.985 ( 0.000 -3.394 0.061) 3.394 6.248 ( 0.000 6.953 3.030) 7.585 6.677 ( -0.000 8.148 0.106) 8.149 7.937 ( -0.000 5.404 0.266) 5.411======================= Grid point 355 (138/288) =======================q-point: (-0.21 -0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.868 ( -2.836 -8.047 -2.752) 8.965 2.038 ( 2.785 -10.555 -0.049) 10.916 2.245 ( 6.560 -9.125 2.033) 11.421 2.466 ( 1.675 -5.248 0.346) 5.520 2.881 ( 1.220 9.704 4.727) 10.863 3.658 ( 3.272 -22.164 -3.835) 22.730 5.332 ( 5.088 -5.251 -0.650) 7.341 5.751 ( -0.937 0.788 0.110) 1.229 5.959 ( 0.321 -2.077 0.142) 2.106 6.334 ( 0.895 6.384 4.483) 7.852 6.746 ( -2.126 9.720 -0.819) 9.983 7.951 ( -4.797 5.843 0.550) 7.580======================= Grid point 356 (139/288) =======================q-point: (-0.14 -0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.709 ( 0.019 -13.798 -4.296) 14.451 1.982 ( 3.868 -12.663 1.381) 13.312 2.314 ( 7.963 -5.184 2.312) 9.779 2.440 ( 2.331 -6.758 -1.613) 7.328 2.997 ( 0.329 6.618 5.127) 8.378 3.531 ( 8.792 -21.031 -3.984) 23.141 5.359 ( 5.361 -7.590 -1.202) 9.370 5.748 ( -1.573 2.247 0.730) 2.838 5.957 ( 0.943 -1.359 0.472) 1.720 6.423 ( 0.881 5.376 4.222) 6.892 6.785 ( -4.534 10.336 -2.146) 11.489 7.908 ( -7.034 6.216 2.101) 9.619======================= Grid point 369 (140/288) =======================q-point: (-0.21 -0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.796 ( -0.000 -12.969 -7.528) 14.995 1.858 ( 0.000 -15.911 -3.867) 16.374 2.125 ( 0.000 -4.846 6.435) 8.056 2.393 ( 0.000 -7.527 -0.418) 7.538 2.986 ( 0.000 7.929 9.268) 12.197 3.375 ( 0.000 -24.833 -5.796) 25.501 5.234 ( 0.000 -5.808 -0.038) 5.808 5.777 ( -0.000 2.881 -0.254) 2.893 5.946 ( 0.000 -0.270 -0.002) 0.270 6.400 ( 0.000 5.380 5.572) 7.745 6.864 ( -0.000 10.954 -1.132) 11.012 8.054 ( -0.000 6.167 0.026) 6.167======================= Grid point 370 (141/288) =======================q-point: (-0.14 -0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.556 ( -3.183 -18.467 -8.590) 20.614 1.754 ( 5.804 -16.783 -2.802) 17.978 2.161 ( 5.286 -3.014 5.274) 8.052 2.324 ( 2.485 -9.509 -1.198) 9.901 3.036 ( 2.331 -12.727 11.303) 17.180 3.201 ( 3.130 -6.726 -7.998) 10.909 5.205 ( 3.539 -6.990 -0.157) 7.837 5.806 ( -0.996 4.551 0.187) 4.663 5.950 ( -0.145 1.030 -0.023) 1.040 6.471 ( 0.703 4.074 5.587) 6.950 6.948 ( -2.694 11.373 -1.888) 11.839 8.075 ( -4.362 6.132 0.762) 7.564======================= Grid point 384 (142/288) =======================q-point: (-0.14 -0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.402 ( -0.000 -20.081 -9.544) 22.234 1.459 ( 0.000 -20.585 -7.750) 21.996 2.117 ( 0.000 -1.302 5.775) 5.920 2.159 ( 0.000 -17.872 0.467) 17.878 2.770 ( 0.000 -26.939 1.386) 26.974 3.239 ( -0.000 7.753 1.892) 7.980 5.109 ( 0.000 -6.576 0.470) 6.593 5.868 ( -0.000 6.014 0.223) 6.018 5.972 ( -0.000 2.701 -0.215) 2.710 6.516 ( 0.000 2.412 6.565) 6.994 7.081 ( -0.000 11.759 -1.763) 11.891 8.171 ( -0.000 5.567 -0.145) 5.568======================= Grid point 431 (143/288) =======================q-point: ( 0.14 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.452 ( 0.000 -0.000 23.342) 23.342 0.452 ( 0.000 -0.000 23.342) 23.342 0.757 ( 0.000 -0.000 39.630) 39.630 2.073 ( -0.000 0.000 -4.281) 4.281 2.073 ( -0.000 0.000 -4.281) 4.281 3.839 ( -0.000 0.000 -11.364) 11.364 4.897 ( 0.000 -0.000 0.131) 0.131 4.897 ( 0.000 -0.000 0.131) 0.131 6.121 ( 0.000 -0.000 0.052) 0.052 6.121 ( 0.000 -0.000 0.052) 0.052 7.562 ( 0.000 -0.000 2.938) 2.938 8.135 ( -0.000 0.000 -1.009) 1.009======================= Grid point 432 (144/288) =======================q-point: ( 0.21 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.560 ( 9.188 5.305 15.545) 18.820 0.678 ( 7.892 4.556 21.838) 23.663 1.281 ( 28.741 16.594 24.336) 41.154 2.085 ( 3.462 1.999 -6.376) 7.526 2.094 ( 1.810 1.045 -3.628) 4.186 3.450 ( -8.358 -4.826 -2.423) 9.951 4.933 ( 2.641 1.525 0.400) 3.076 5.946 ( 36.239 20.923 -35.007) 54.557 6.089 ( -2.990 -1.726 -0.161) 3.456 6.094 ( -2.217 -1.280 -0.048) 2.560 7.536 ( -4.004 -2.312 4.397) 6.380 8.140 ( -0.459 -0.265 -7.002) 7.022======================= Grid point 433 (145/288) =======================q-point: ( 0.29 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.881 ( 14.788 8.538 7.120) 18.500 0.954 ( 11.134 6.428 11.561) 17.290 2.013 ( 27.558 15.910 16.888) 36.025 2.133 ( 2.563 1.480 -2.809) 4.080 2.186 ( 8.570 4.948 -9.926) 14.016 3.338 ( -1.775 -1.025 -4.565) 5.004 5.017 ( 4.596 2.654 0.524) 5.333 5.989 ( -5.467 -3.156 -0.603) 6.342 6.029 ( -3.219 -1.858 -0.135) 3.719 6.361 ( 12.494 7.213 -15.655) 21.289 7.411 ( -8.195 -4.731 7.204) 11.893 8.051 ( -4.666 -2.694 -10.639) 11.926======================= Grid point 434 (146/288) =======================q-point: ( 0.36 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.237 ( 11.834 6.833 2.160) 13.835 1.240 ( 15.039 8.683 2.499) 17.545 2.194 ( 3.487 2.013 -1.713) 4.376 2.299 ( 6.723 3.882 -2.423) 8.133 2.675 ( 22.539 13.013 1.921) 26.096 3.342 ( 3.604 2.081 0.450) 4.186 5.137 ( 5.547 3.203 0.565) 6.430 5.854 ( -5.788 -3.342 -0.804) 6.732 5.961 ( -2.354 -1.359 -0.216) 2.727 6.500 ( 3.411 1.970 -6.922) 7.964 7.215 ( -11.412 -6.589 7.895) 15.361 7.894 ( -5.178 -2.990 -11.141) 12.644======================= Grid point 435 (147/288) =======================q-point: ( 0.43 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.502 ( 11.885 6.862 -4.007) 14.297 1.556 ( 12.167 7.025 -0.474) 14.057 2.282 ( 4.640 2.679 -0.297) 5.366 2.435 ( 5.748 3.319 -1.901) 6.904 2.981 ( 4.746 2.740 -2.049) 5.851 3.560 ( 13.698 7.909 5.588) 16.775 5.256 ( 4.456 2.573 0.547) 5.174 5.744 ( -3.295 -1.902 -0.849) 3.898 5.936 ( 0.455 0.263 -0.244) 0.579 6.494 ( -1.765 -1.019 -3.818) 4.328 6.933 ( -14.963 -8.639 3.646) 17.658 7.786 ( -1.645 -0.950 -6.393) 6.670======================= Grid point 436 (148/288) =======================q-point: ( 0.50 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.752 ( 11.733 6.774 -7.143) 15.316 1.778 ( 7.782 4.493 -2.275) 9.270 2.397 ( 5.061 2.922 0.983) 5.926 2.539 ( 3.778 2.181 -1.503) 4.614 2.978 ( -3.422 -1.975 1.135) 4.111 3.870 ( 10.770 6.218 3.854) 13.020 5.331 ( 2.071 1.196 0.404) 2.426 5.712 ( 0.803 0.464 -1.078) 1.422 5.980 ( 3.110 1.795 -0.123) 3.593 6.430 ( -2.857 -1.649 -0.357) 3.318 6.591 ( -14.401 -8.315 -1.780) 16.724 7.765 ( 0.402 0.232 -1.755) 1.815======================= Grid point 437 (149/288) =======================q-point: ( 0.57 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.902 ( 4.165 2.404 -2.709) 5.519 1.988 ( 11.238 6.488 -8.589) 15.561 2.498 ( 3.064 1.769 1.494) 3.841 2.589 ( 0.984 0.568 -1.790) 2.120 2.865 ( -6.613 -3.818 2.895) 8.166 4.056 ( 4.826 2.786 3.320) 6.486 5.360 ( 0.578 0.334 0.225) 0.704 5.766 ( 3.978 2.297 -1.503) 4.833 6.052 ( 2.748 1.587 0.048) 3.174 6.266 ( -11.253 -6.497 1.803) 13.119 6.420 ( 0.015 0.009 -2.445) 2.445 7.775 ( 0.530 0.306 -0.015) 0.612======================= Grid point 438 (150/288) =======================q-point: (-0.36 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.959 ( 1.687 0.974 -2.078) 2.849 2.195 ( 8.407 4.854 -7.744) 12.418 2.528 ( -0.991 -0.572 1.269) 1.708 2.578 ( -0.848 -0.489 -1.392) 1.701 2.724 ( -5.808 -3.353 1.472) 6.866 4.117 ( -0.366 -0.211 3.701) 3.725 5.365 ( -0.088 -0.051 0.124) 0.160 5.854 ( 2.536 1.464 -1.235) 3.178 6.083 ( -3.457 -1.996 0.109) 3.993 6.086 ( 0.010 0.006 0.128) 0.129 6.450 ( 2.441 1.410 0.935) 2.970 7.789 ( 0.745 0.430 0.589) 1.043======================= Grid point 439 (151/288) =======================q-point: (-0.29 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.968 ( -0.705 -0.407 -0.411) 0.912 2.243 ( -4.030 -2.327 0.882) 4.736 2.459 ( -5.222 -3.015 0.200) 6.033 2.613 ( -1.755 -1.013 -4.827) 5.235 2.634 ( 5.375 3.103 -1.600) 6.409 4.049 ( -7.070 -4.082 3.134) 8.745 5.356 ( -0.848 -0.489 0.077) 0.982 5.817 ( -3.749 -2.165 0.577) 4.368 6.054 ( -2.666 -1.539 0.110) 3.080 6.151 ( 7.403 4.274 -2.663) 8.953 6.533 ( 4.544 2.623 1.838) 5.559 7.823 ( 2.191 1.265 1.772) 3.089======================= Grid point 440 (152/288) =======================q-point: (-0.21 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.912 ( -5.157 -2.977 3.115) 6.720 2.074 ( -10.825 -6.250 5.900) 13.822 2.312 ( -6.643 -3.836 -2.518) 8.074 2.522 ( -4.234 -2.445 -1.712) 5.180 2.837 ( 10.874 6.278 -5.754) 13.812 3.797 ( -16.076 -9.281 1.525) 18.625 5.320 ( -2.532 -1.462 -0.020) 2.924 5.755 ( -1.313 -0.758 0.800) 1.715 5.985 ( -2.898 -1.673 0.076) 3.347 6.320 ( 7.653 4.418 -4.233) 9.798 6.669 ( 7.094 4.096 0.978) 8.250 7.907 ( 4.498 2.597 3.340) 6.175======================= Grid point 441 (153/288) =======================q-point: (-0.14 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.726 ( -12.809 -7.395 7.305) 16.496 1.805 ( -14.695 -8.484 7.345) 18.489 2.181 ( -3.363 -1.942 -5.504) 6.736 2.397 ( -6.906 -3.987 -1.293) 8.078 3.058 ( 9.631 5.560 -5.123) 12.244 3.339 ( -23.999 -13.856 1.155) 27.736 5.235 ( -4.895 -2.826 -0.250) 5.658 5.773 ( 2.690 1.553 0.451) 3.139 5.946 ( -0.284 -0.164 0.130) 0.352 6.452 ( 5.142 2.969 -5.304) 7.962 6.856 ( 9.137 5.275 0.490) 10.562 8.039 ( 5.871 3.389 3.175) 7.486======================= Grid point 446 (154/288) =======================q-point: ( 0.21 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.712 ( 0.000 18.325 13.632) 22.839 0.841 ( 0.000 16.228 18.301) 24.459 1.261 ( 0.000 22.686 29.115) 36.910 2.016 ( -0.000 -0.983 -6.656) 6.729 2.129 ( -0.000 7.033 -4.893) 8.568 3.438 ( 0.000 -10.767 -3.998) 11.486 4.915 ( -0.000 2.280 0.001) 2.280 5.832 ( -0.000 40.487 -30.301) 50.571 6.089 ( -0.000 -2.114 -0.940) 2.314 6.100 ( 0.000 -2.267 0.107) 2.270 7.546 ( 0.000 -4.889 4.452) 6.612 8.137 ( -0.000 0.907 -6.454) 6.518======================= Grid point 447 (155/288) =======================q-point: ( 0.29 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.959 ( 1.441 21.943 7.308) 23.173 1.014 ( -0.980 14.800 18.897) 24.023 1.802 ( 21.525 21.314 17.161) 34.815 2.030 ( 4.994 -0.231 -5.671) 7.560 2.196 ( 0.681 9.607 -6.427) 11.578 3.326 ( -1.341 -3.862 -5.912) 7.188 4.979 ( 3.485 3.494 0.278) 4.942 6.011 ( -1.442 -4.630 -1.422) 5.054 6.051 ( -2.119 -2.566 -0.107) 3.330 6.198 ( 10.391 15.925 -18.298) 26.389 7.466 ( -3.539 -8.321 6.321) 11.032 8.083 ( -4.001 -0.494 -9.338) 10.171======================= Grid point 448 (156/288) =======================q-point: ( 0.36 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.213 ( 2.180 14.526 13.279) 19.801 1.245 ( 5.483 18.902 1.711) 19.755 2.107 ( 7.522 1.147 -5.960) 9.665 2.251 ( 4.083 5.842 0.019) 7.127 2.474 ( 19.581 19.918 3.237) 28.118 3.297 ( 2.397 0.100 -2.751) 3.650 5.094 ( 4.735 5.172 0.555) 7.034 5.901 ( -4.469 -5.032 -0.917) 6.792 5.985 ( -2.408 -2.239 -0.066) 3.289 6.406 ( 7.090 4.170 -9.458) 12.535 7.311 ( -6.541 -10.351 7.925) 14.585 7.941 ( -6.951 -1.472 -10.970) 13.070======================= Grid point 449 (157/288) =======================q-point: ( 0.43 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.425 ( 5.257 10.971 3.858) 12.762 1.531 ( 6.103 16.955 0.189) 18.021 2.238 ( 5.943 4.599 -2.563) 7.940 2.366 ( 4.858 4.356 -2.408) 6.955 2.891 ( 10.120 7.413 -1.994) 12.702 3.440 ( 10.909 7.318 4.063) 13.750 5.233 ( 4.174 6.459 0.766) 7.728 5.777 ( -4.023 -3.738 -0.903) 5.565 5.939 ( -0.938 -0.618 -0.281) 1.158 6.466 ( 1.754 -1.434 -5.561) 6.005 7.080 ( -11.159 -11.240 5.863) 16.889 7.794 ( -4.063 -1.379 -8.062) 9.133======================= Grid point 450 (158/288) =======================q-point: ( 0.50 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.635 ( 7.340 9.047 -1.226) 11.714 1.765 ( 4.372 12.753 -2.055) 13.638 2.381 ( 4.069 7.885 -0.250) 8.876 2.480 ( 4.972 2.377 -1.614) 5.742 2.989 ( 0.670 -0.620 -1.124) 1.447 3.756 ( 12.290 8.453 4.011) 15.446 5.350 ( 1.277 6.804 0.793) 6.969 5.703 ( -0.902 -1.668 -0.925) 2.110 5.950 ( 1.984 1.230 -0.325) 2.357 6.432 ( -0.666 -2.665 -3.722) 4.626 6.757 ( -14.910 -10.079 1.361) 18.049 7.736 ( 0.609 -1.849 -2.687) 3.318======================= Grid point 451 (159/288) =======================q-point: ( 0.57 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.833 ( 6.829 6.693 -2.792) 9.961 1.925 ( 3.689 9.884 -4.683) 11.542 2.516 ( 1.712 8.235 1.316) 8.513 2.558 ( 2.754 0.879 -1.687) 3.348 2.938 ( -4.401 -2.278 0.903) 5.038 3.998 ( 7.286 4.460 3.100) 9.088 5.413 ( -1.829 6.787 0.571) 7.053 5.711 ( 2.966 0.112 -1.137) 3.178 6.015 ( 3.443 1.771 -0.058) 3.872 6.397 ( 0.465 -1.853 -3.140) 3.676 6.423 ( -13.745 -6.793 1.009) 15.366 7.738 ( 2.213 -2.600 -0.151) 3.418======================= Grid point 452 (160/288) =======================q-point: ( 0.64 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.949 ( 1.693 4.282 -2.131) 5.074 2.090 ( 7.155 7.949 -7.334) 12.968 2.571 ( -1.270 -0.014 -0.308) 1.307 2.593 ( -0.646 4.283 1.124) 4.475 2.823 ( -7.267 -0.148 0.447) 7.282 4.117 ( 2.467 1.125 3.595) 4.503 5.433 ( -3.491 6.702 0.372) 7.566 5.785 ( 5.033 0.463 -1.240) 5.204 6.080 ( 1.998 1.354 0.138) 2.418 6.168 ( -8.959 -3.759 -0.573) 9.732 6.413 ( 2.366 -0.224 0.519) 2.433 7.751 ( 2.402 -2.866 0.388) 3.760======================= Grid point 453 (161/288) =======================q-point: (-0.29 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.982 ( -0.757 2.322 -1.521) 2.877 2.234 ( 3.876 3.163 -5.848) 7.696 2.514 ( -3.577 -2.286 1.251) 4.425 2.611 ( 0.146 2.509 0.350) 2.537 2.707 ( -8.354 4.022 -1.804) 9.446 4.122 ( -3.271 -1.748 3.689) 5.231 5.430 ( -4.360 5.992 0.310) 7.417 5.829 ( 0.105 -2.752 -0.276) 2.768 6.061 ( -1.387 -0.779 -0.153) 1.598 6.122 ( 1.565 3.869 -1.397) 4.401 6.473 ( 4.395 0.133 1.531) 4.656 7.773 ( 3.362 -2.457 0.891) 4.258======================= Grid point 454 (162/288) =======================q-point: (-0.21 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.956 ( -3.095 -1.291 0.498) 3.390 2.201 ( -6.422 -2.143 0.882) 6.827 2.417 ( -6.657 -1.136 -0.488) 6.770 2.583 ( -6.214 -0.621 -0.318) 6.253 2.727 ( 6.502 8.086 -4.887) 11.469 3.975 ( -11.823 -5.194 2.692) 13.191 5.401 ( -5.294 4.180 0.340) 6.754 5.772 ( -1.952 -2.368 0.428) 3.099 6.017 ( -2.767 -1.565 0.140) 3.182 6.238 ( 6.109 5.676 -3.652) 9.103 6.579 ( 6.876 1.177 1.286) 7.093 7.833 ( 5.637 -1.442 1.881) 6.115======================= Grid point 455 (163/288) =======================q-point: (-0.14 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.830 ( -8.258 -7.645 4.920) 12.282 2.024 ( -12.227 -2.317 3.082) 12.820 2.271 ( -8.714 1.473 -3.404) 9.471 2.469 ( -5.760 -2.085 -0.415) 6.140 2.929 ( 9.570 6.207 -5.208) 12.539 3.629 ( -21.554 -8.311 2.168) 23.202 5.328 ( -6.831 1.490 0.321) 6.999 5.751 ( 1.036 -0.119 0.314) 1.089 5.960 ( -1.986 -0.663 -0.006) 2.093 6.378 ( 5.639 4.148 -4.758) 8.464 6.739 ( 9.328 2.569 0.823) 9.710 7.945 ( 7.643 -0.508 1.819) 7.873======================= Grid point 461 (164/288) =======================q-point: ( 0.29 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.174 ( -0.000 20.445 7.396) 21.741 1.277 ( 0.000 17.755 13.254) 22.156 1.905 ( 0.000 25.189 19.431) 31.813 1.954 ( -0.000 -0.541 -8.183) 8.200 2.274 ( -0.000 12.071 -8.367) 14.688 3.277 ( -0.000 -3.445 -5.673) 6.637 4.988 ( -0.000 5.070 0.204) 5.074 5.969 ( 0.000 -4.858 -1.148) 4.991 6.041 ( 0.000 -3.585 0.004) 3.585 6.217 ( -0.000 13.581 -14.224) 19.666 7.417 ( 0.000 -11.443 6.292) 13.058 8.090 ( -0.000 -0.173 -9.678) 9.680======================= Grid point 462 (165/288) =======================q-point: ( 0.36 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.383 ( -0.120 17.587 3.904) 18.015 1.465 ( -2.396 19.266 12.569) 23.128 1.972 ( 5.999 1.393 -8.543) 10.532 2.244 ( 5.418 8.713 7.476) 12.695 2.449 ( 8.164 22.188 -4.812) 24.127 3.255 ( 1.531 0.494 -2.217) 2.739 5.079 ( 3.689 6.339 0.547) 7.355 5.898 ( -1.954 -5.711 -0.667) 6.073 5.992 ( -1.357 -3.025 -0.073) 3.316 6.322 ( 4.298 5.541 -8.872) 11.308 7.291 ( -2.560 -13.385 6.645) 15.162 8.009 ( -5.247 -0.728 -10.136) 11.436======================= Grid point 463 (166/288) =======================q-point: ( 0.43 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.530 ( -0.554 12.978 2.429) 13.215 1.669 ( 0.252 18.928 6.596) 20.046 2.128 ( 10.372 5.062 -5.186) 12.653 2.354 ( 2.130 5.233 -1.842) 5.942 2.801 ( 9.467 11.066 -3.120) 14.893 3.370 ( 7.516 8.760 3.746) 12.135 5.230 ( 5.141 7.988 1.061) 9.559 5.796 ( -3.312 -4.676 -0.894) 5.799 5.947 ( -1.088 -1.382 -0.386) 1.801 6.389 ( 3.215 -1.005 -5.512) 6.460 7.113 ( -5.208 -13.914 6.030) 16.034 7.855 ( -7.229 -1.135 -8.737) 11.397======================= Grid point 464 (167/288) =======================q-point: ( 0.50 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.664 ( 2.149 11.115 0.690) 11.342 1.857 ( 0.751 14.211 1.646) 14.326 2.357 ( 8.855 8.463 -1.426) 12.332 2.442 ( 2.882 5.386 -1.349) 6.256 2.943 ( 3.635 0.641 -2.846) 4.661 3.662 ( 10.873 11.410 3.807) 16.214 5.398 ( 3.543 9.253 1.522) 10.025 5.706 ( -2.246 -2.708 -1.019) 3.663 5.935 ( 0.611 0.578 -0.867) 1.208 6.383 ( 1.074 -3.581 -4.306) 5.703 6.872 ( -9.721 -12.240 3.165) 15.947 7.722 ( -3.430 -2.209 -4.505) 6.078======================= Grid point 465 (168/288) =======================q-point: ( 0.57 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.823 ( 3.981 10.069 -0.360) 10.834 1.984 ( 0.427 10.006 -1.317) 10.101 2.508 ( 3.823 1.521 -0.856) 4.203 2.584 ( 2.656 10.956 1.072) 11.325 2.968 ( 0.078 0.628 -1.175) 1.334 3.924 ( 8.050 6.264 2.163) 10.427 5.524 ( -0.316 9.437 1.545) 9.568 5.672 ( 0.685 -0.543 -1.060) 1.374 5.974 ( 2.888 1.381 -0.911) 3.328 6.350 ( 0.786 -3.075 -3.848) 4.988 6.583 ( -12.240 -7.999 1.381) 14.687 7.668 ( 1.164 -3.948 -0.938) 4.221======================= Grid point 466 (169/288) =======================q-point: ( 0.64 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.973 ( 2.371 8.342 -0.949) 8.724 2.077 ( 1.805 7.804 -3.372) 8.691 2.557 ( 1.432 0.056 -1.229) 1.888 2.665 ( -1.629 1.663 3.199) 3.956 2.972 ( -4.719 9.404 -1.715) 10.660 4.075 ( 4.891 1.279 2.410) 5.600 5.585 ( -3.541 9.197 1.050) 9.911 5.708 ( 3.587 0.518 -0.933) 3.742 6.040 ( 3.703 0.524 -0.472) 3.770 6.273 ( -7.038 -4.200 -3.296) 8.834 6.397 ( -1.936 -0.606 1.874) 2.762 7.662 ( 3.120 -4.959 0.177) 5.862======================= Grid point 467 (170/288) =======================q-point: (-0.29 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.040 ( -1.958 5.711 -0.957) 6.113 2.187 ( 3.995 5.629 -5.021) 8.536 2.545 ( -2.023 -1.743 -0.080) 2.671 2.622 ( -1.319 -3.291 2.984) 4.634 2.960 ( -10.218 13.955 -2.210) 17.436 4.136 ( 1.318 -1.569 2.996) 3.630 5.595 ( -5.502 8.109 0.735) 9.827 5.772 ( 3.315 -1.024 -0.563) 3.515 6.102 ( 2.544 -0.211 -1.266) 2.849 6.125 ( -4.927 1.498 -0.389) 5.164 6.414 ( 2.316 -0.276 0.924) 2.508 7.674 ( 3.971 -5.018 0.360) 6.409======================= Grid point 468 (171/288) =======================q-point: (-0.21 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.021 ( -4.558 1.924 -0.544) 4.977 2.247 ( -0.466 1.355 -3.749) 4.013 2.473 ( -3.035 -2.355 1.218) 4.030 2.615 ( 1.570 -1.063 1.957) 2.725 2.883 ( -12.076 12.342 -2.904) 17.510 4.092 ( -5.303 -3.315 2.489) 6.731 5.562 ( -6.645 5.636 0.851) 8.755 5.771 ( -0.675 -2.464 -0.159) 2.559 6.061 ( -3.087 0.893 0.192) 3.219 6.193 ( 4.305 4.794 -3.310) 7.244 6.476 ( 5.507 -0.758 1.372) 5.726 7.709 ( 5.706 -4.268 0.647) 7.155======================= Grid point 469 (172/288) =======================q-point: (-0.14 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.915 ( -7.424 -3.318 1.514) 8.272 2.172 ( -6.955 -1.076 -1.298) 7.156 2.406 ( -4.508 0.563 -0.333) 4.555 2.580 ( -7.442 -0.291 1.684) 7.635 2.868 ( 1.546 8.142 -3.486) 8.991 3.890 ( -14.870 -4.436 1.871) 15.629 5.484 ( -7.894 2.954 1.192) 8.512 5.737 ( -0.349 -1.219 -0.351) 1.315 6.006 ( -3.747 0.243 -0.339) 3.770 6.314 ( 5.224 4.666 -4.094) 8.113 6.600 ( 8.856 0.273 1.345) 8.962 7.792 ( 8.064 -3.214 0.271) 8.685======================= Grid point 476 (173/288) =======================q-point: ( 0.36 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.572 ( -0.000 16.465 1.981) 16.584 1.693 ( 0.000 17.344 8.831) 19.463 1.896 ( -0.000 0.009 -8.236) 8.236 2.304 ( 0.000 6.757 3.014) 7.399 2.581 ( -0.000 21.632 -4.776) 22.153 3.264 ( -0.000 5.531 1.899) 5.848 5.111 ( -0.000 6.866 0.550) 6.888 5.859 ( 0.000 -5.314 -0.295) 5.322 5.973 ( 0.000 -2.876 -0.199) 2.882 6.309 ( -0.000 3.014 -6.096) 6.801 7.190 ( 0.000 -15.054 5.420) 16.000 8.018 ( -0.000 -0.943 -9.468) 9.515======================= Grid point 477 (174/288) =======================q-point: ( 0.43 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.678 ( -2.689 11.260 -2.932) 11.942 1.873 ( -1.055 12.526 8.122) 14.967 1.984 ( 10.478 7.827 -6.153) 14.454 2.366 ( 1.302 4.279 -2.561) 5.154 2.781 ( 4.054 10.284 -2.709) 11.382 3.401 ( 3.503 14.295 5.368) 15.667 5.223 ( 4.588 7.360 0.862) 8.716 5.793 ( -1.850 -4.287 -0.643) 4.713 5.945 ( -0.488 -1.290 -0.357) 1.425 6.322 ( 1.605 -0.973 -3.608) 4.067 7.040 ( -1.733 -15.303 4.273) 15.982 7.931 ( -5.299 -1.334 -8.174) 9.833======================= Grid point 478 (175/288) =======================q-point: ( 0.50 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.740 ( 0.610 8.777 -2.936) 9.275 1.983 ( 0.465 8.454 1.985) 8.696 2.278 ( 10.760 11.973 0.321) 16.101 2.437 ( 3.496 5.223 -2.587) 6.796 2.881 ( 2.909 0.797 -1.337) 3.299 3.659 ( 6.100 15.652 3.830) 17.229 5.403 ( 6.633 8.191 1.407) 10.633 5.717 ( -2.450 -2.537 -1.092) 3.692 5.934 ( -0.142 0.723 -0.914) 1.174 6.314 ( 1.218 -3.488 -2.513) 4.469 6.861 ( -3.681 -14.047 2.783) 14.785 7.783 ( -7.020 -1.738 -5.581) 9.135======================= Grid point 479 (176/288) =======================q-point: ( 0.57 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.858 ( 3.441 8.904 -1.224) 9.624 2.069 ( 0.471 6.932 0.084) 6.948 2.465 ( 3.438 2.975 0.653) 4.593 2.625 ( 5.714 10.689 0.494) 12.130 2.935 ( 4.622 1.599 -0.797) 4.955 3.890 ( 4.827 9.455 1.304) 10.696 5.585 ( 3.709 7.129 2.019) 8.286 5.672 ( -0.381 0.883 -1.235) 1.565 5.949 ( 0.906 1.581 -1.721) 2.506 6.291 ( 1.250 -3.154 -2.245) 4.068 6.658 ( -6.400 -10.579 1.311) 12.434 7.649 ( -4.059 -2.848 -2.370) 5.496======================= Grid point 480 (177/288) =======================q-point: ( 0.64 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.006 ( 3.730 8.589 -0.970) 9.414 2.137 ( -0.126 6.369 -0.138) 6.372 2.528 ( 1.983 0.884 -0.085) 2.173 2.695 ( -1.589 -2.104 2.185) 3.424 3.110 ( 4.092 15.077 -1.092) 15.661 4.013 ( 3.350 1.647 0.683) 3.795 5.648 ( 1.539 1.407 -0.059) 2.086 5.734 ( -0.434 7.327 1.012) 7.410 5.977 ( 2.374 -0.648 -1.723) 3.004 6.286 ( 0.536 -0.461 -2.468) 2.567 6.469 ( -6.342 -4.606 1.306) 7.946 7.578 ( 0.214 -4.462 -0.424) 4.487======================= Grid point 481 (178/288) =======================q-point: ( 0.71 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.128 ( 0.895 7.592 -1.523) 7.795 2.190 ( 0.051 5.375 -0.541) 5.403 2.549 ( 0.071 -0.175 -0.625) 0.653 2.613 ( -2.408 -6.521 2.536) 7.400 3.267 ( -6.118 18.588 -1.479) 19.625 4.065 ( 4.201 -3.891 1.549) 5.932 5.703 ( 2.819 1.643 -0.183) 3.268 5.758 ( -3.888 4.557 0.536) 6.014 6.013 ( 4.651 -2.737 -1.016) 5.491 6.247 ( -5.263 3.248 -0.674) 6.222 6.401 ( -0.405 0.154 0.290) 0.521 7.558 ( 2.982 -5.345 0.076) 6.121======================= Grid point 482 (179/288) =======================q-point: (-0.21 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.144 ( -5.746 4.806 -0.649) 7.519 2.245 ( 1.239 2.817 -2.695) 4.091 2.497 ( -2.347 -3.557 1.999) 4.707 2.576 ( 1.700 -1.813 1.146) 2.737 3.243 ( -14.514 14.034 -1.345) 20.234 4.089 ( 2.232 -4.426 1.438) 5.162 5.707 ( -5.299 1.633 0.579) 5.575 5.752 ( 1.116 0.295 -0.024) 1.155 6.071 ( 4.172 -1.376 -1.812) 4.752 6.221 ( -3.187 7.335 -0.002) 7.997 6.407 ( 1.479 -1.116 0.245) 1.869 7.574 ( 4.761 -4.734 0.064) 6.714======================= Grid point 483 (180/288) =======================q-point: (-0.14 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.038 ( -8.716 -0.133 0.133) 8.718 2.239 ( -2.803 -0.147 -3.347) 4.368 2.457 ( -1.561 0.227 2.028) 2.570 2.613 ( 2.509 -0.624 2.190) 3.388 3.079 ( -14.958 7.443 -1.105) 16.744 4.034 ( -5.411 -3.001 0.623) 6.218 5.626 ( -5.687 0.548 1.223) 5.842 5.744 ( -1.573 -0.402 -0.296) 1.651 6.073 ( -2.698 0.102 -2.059) 3.396 6.282 ( 2.302 5.898 -2.212) 6.706 6.460 ( 6.825 -1.902 1.528) 7.248 7.631 ( 6.628 -3.108 -0.472) 7.335======================= Grid point 491 (181/288) =======================q-point: ( 0.43 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.812 ( -0.000 8.740 -6.436) 10.854 1.855 ( -0.000 0.755 -7.107) 7.147 2.059 ( -0.000 15.116 5.585) 16.114 2.382 ( -0.000 3.616 -2.894) 4.631 2.829 ( -0.000 5.309 1.168) 5.436 3.557 ( -0.000 18.977 5.419) 19.735 5.245 ( -0.000 5.904 0.650) 5.940 5.771 ( 0.000 -3.053 -0.857) 3.171 5.942 ( -0.000 0.233 -0.294) 0.375 6.289 ( -0.000 -2.025 -1.206) 2.357 6.913 ( 0.000 -15.075 2.220) 15.237 7.939 ( -0.000 -1.767 -6.983) 7.203======================= Grid point 492 (182/288) =======================q-point: ( 0.50 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.792 ( -0.897 4.767 -6.224) 7.891 1.960 ( 6.614 1.922 -5.870) 9.050 2.268 ( 6.346 14.191 3.277) 15.887 2.425 ( 1.701 3.879 -1.425) 4.469 2.866 ( 0.114 0.158 3.118) 3.124 3.775 ( 1.765 17.844 3.301) 18.233 5.355 ( 6.207 5.080 0.684) 8.050 5.730 ( -1.670 -1.424 -1.356) 2.580 5.950 ( -0.282 2.212 -0.415) 2.268 6.265 ( 0.268 -3.222 0.369) 3.254 6.766 ( -1.120 -13.509 0.548) 13.566 7.857 ( -4.932 -1.882 -5.172) 7.390======================= Grid point 493 (183/288) =======================q-point: ( 0.57 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.861 ( 3.980 6.024 -2.867) 7.768 2.063 ( 5.207 1.910 -3.311) 6.459 2.461 ( 1.709 4.103 1.636) 4.736 2.592 ( 10.406 10.889 -0.449) 15.068 2.871 ( 1.951 -1.744 3.205) 4.138 3.957 ( 0.847 12.285 0.778) 12.339 5.542 ( 8.767 4.756 0.914) 10.016 5.688 ( -1.621 0.448 -1.589) 2.314 5.969 ( -0.677 3.296 -0.935) 3.492 6.239 ( 0.621 -3.365 0.880) 3.533 6.618 ( -2.126 -10.895 -0.360) 11.106 7.721 ( -6.875 -1.696 -2.956) 7.674======================= Grid point 494 (184/288) =======================q-point: ( 0.64 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.001 ( 5.189 6.484 -0.960) 8.360 2.158 ( 3.860 3.159 -1.080) 5.103 2.514 ( 1.216 1.617 0.859) 2.198 2.707 ( -1.973 -2.198 1.366) 3.254 3.073 ( 14.651 10.452 1.025) 18.026 4.035 ( -1.927 5.094 -0.606) 5.480 5.652 ( -0.107 2.006 -0.331) 2.036 5.746 ( 5.919 3.538 0.378) 6.906 5.972 ( -1.935 1.739 -1.523) 3.014 6.247 ( 2.952 -0.754 0.245) 3.057 6.487 ( -2.539 -6.875 -0.055) 7.329 7.589 ( -5.365 -1.977 -1.113) 5.825======================= Grid point 495 (185/288) =======================q-point: ( 0.71 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.137 ( 3.935 5.320 -0.909) 6.680 2.246 ( 1.894 4.831 0.244) 5.195 2.541 ( 0.697 0.271 0.348) 0.825 2.606 ( -4.243 -6.455 0.929) 7.780 3.429 ( 9.868 15.189 0.198) 18.114 3.994 ( -3.021 -3.362 -0.310) 4.530 5.681 ( 1.295 2.331 -0.351) 2.690 5.843 ( 1.209 2.525 1.087) 3.003 5.929 ( -1.190 -2.485 -1.327) 3.058 6.311 ( 1.854 2.988 -0.749) 3.596 6.413 ( -0.881 -1.829 0.612) 2.120 7.501 ( -1.842 -2.869 -0.210) 3.415======================= Grid point 496 (186/288) =======================q-point: (-0.21 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.227 ( 1.822 3.726 -1.780) 4.513 2.300 ( -3.249 5.489 0.662) 6.413 2.475 ( -1.365 -7.855 1.492) 8.111 2.549 ( 0.285 -0.144 -0.000) 0.319 3.606 ( -10.377 14.949 -0.464) 18.203 3.939 ( 7.237 -8.952 0.435) 11.519 5.724 ( 1.180 0.730 -0.263) 1.412 5.818 ( -4.990 1.598 0.782) 5.298 5.948 ( 6.169 -2.349 -1.143) 6.699 6.339 ( -1.537 3.594 0.775) 3.985 6.402 ( -1.172 0.208 -0.696) 1.379 7.474 ( 2.007 -2.561 -0.048) 3.254======================= Grid point 497 (187/288) =======================q-point: (-0.14 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.197 ( -9.410 0.295 -0.472) 9.426 2.259 ( -0.793 0.442 -2.450) 2.613 2.469 ( 2.254 -0.272 3.514) 4.184 2.561 ( 2.008 -0.471 0.468) 2.115 3.414 ( -17.712 1.586 0.351) 17.786 4.017 ( 4.352 -1.575 -0.552) 4.661 5.703 ( -3.379 -0.079 -0.351) 3.398 5.773 ( -1.898 -0.089 1.363) 2.339 6.037 ( 4.937 0.028 -3.085) 5.822 6.353 ( -1.745 3.973 1.186) 4.498 6.361 ( 0.203 -3.404 -0.351) 3.428 7.517 ( 4.492 -0.309 -0.398) 4.521======================= Grid point 506 (188/288) =======================q-point: ( 0.50 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.839 ( -0.000 1.312 -4.149) 4.351 1.848 ( -0.000 1.981 -10.271) 10.461 2.345 ( -0.000 11.212 2.632) 11.517 2.450 ( -0.000 3.818 0.523) 3.854 2.875 ( 0.000 -1.800 5.003) 5.317 3.940 ( -0.000 15.914 1.783) 16.014 5.334 ( -0.000 2.720 0.341) 2.742 5.734 ( -0.000 0.163 -1.719) 1.727 5.981 ( -0.000 3.619 -0.160) 3.622 6.237 ( 0.000 -3.529 2.654) 4.416 6.652 ( 0.000 -10.932 -1.664) 11.058 7.866 ( -0.000 -2.047 -3.987) 4.482======================= Grid point 507 (189/288) =======================q-point: ( 0.57 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.838 ( 2.586 3.769 -3.334) 5.658 1.935 ( 7.524 0.112 -5.131) 9.108 2.486 ( 0.754 3.792 1.614) 4.190 2.522 ( 7.494 8.146 0.462) 11.078 2.855 ( -0.826 -3.592 4.707) 5.978 4.077 ( -0.401 11.336 -0.113) 11.344 5.424 ( 7.612 1.899 0.149) 7.847 5.723 ( -1.562 1.690 -1.654) 2.834 6.016 ( -0.460 4.028 -0.206) 4.059 6.207 ( -0.122 -4.300 3.399) 5.482 6.545 ( -1.047 -7.425 -2.657) 7.955 7.797 ( -4.398 -1.568 -2.480) 5.287======================= Grid point 508 (190/288) =======================q-point: ( 0.64 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.958 ( 5.909 4.961 -0.282) 7.720 2.062 ( 8.045 0.648 -2.083) 8.336 2.520 ( 0.384 1.434 1.142) 1.873 2.716 ( 1.374 0.734 -0.347) 1.596 2.889 ( 12.151 1.823 3.391) 12.746 4.137 ( -2.673 6.209 -1.346) 6.892 5.603 ( 10.036 1.535 -0.017) 10.152 5.711 ( -1.393 2.642 -1.167) 3.207 6.034 ( -1.917 3.182 -0.300) 3.727 6.183 ( 1.870 -4.138 2.585) 5.225 6.458 ( -1.647 -4.009 -1.928) 4.743 7.684 ( -6.645 -0.738 -1.132) 6.781======================= Grid point 509 (191/288) =======================q-point: ( 0.71 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.102 ( 5.432 3.726 0.779) 6.633 2.197 ( 6.619 1.623 -0.738) 6.855 2.537 ( 0.333 0.113 0.695) 0.779 2.639 ( -4.981 -4.008 -0.264) 6.398 3.239 ( 20.272 4.177 1.265) 20.737 4.094 ( -6.713 1.919 -1.328) 7.107 5.703 ( -0.465 3.114 -0.206) 3.155 5.766 ( 5.964 -1.190 -0.246) 6.087 6.001 ( -4.635 1.861 0.158) 4.997 6.236 ( 6.978 -1.160 0.456) 7.089 6.406 ( -0.929 -1.233 -0.220) 1.559 7.562 ( -6.428 -0.333 -0.309) 6.444======================= Grid point 510 (192/288) =======================q-point: (-0.21 -0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.213 ( 3.457 2.455 1.348) 4.450 2.306 ( 5.566 -0.064 -0.660) 5.605 2.487 ( -6.363 -3.805 -0.936) 7.473 2.549 ( -0.412 0.153 -0.044) 0.441 3.602 ( 18.619 -1.167 0.341) 18.659 3.942 ( -11.883 1.393 -0.321) 11.969 5.721 ( 0.171 1.077 0.256) 1.120 5.827 ( 4.072 -2.880 -1.105) 5.109 5.935 ( -5.107 3.308 1.400) 6.244 6.347 ( 3.625 1.044 -1.090) 3.927 6.394 ( 0.999 -1.268 0.968) 1.882 7.474 ( -3.234 0.365 0.042) 3.255======================= Grid point 511 (193/288) =======================q-point: (-0.14 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.262 ( -0.476 -0.824 -0.000) 0.951 2.316 ( -3.067 -5.312 -0.000) 6.134 2.413 ( 2.139 3.705 0.000) 4.278 2.550 ( 0.144 0.250 -0.000) 0.289 3.620 ( -8.292 -14.361 -0.000) 16.583 3.926 ( 4.877 8.447 -0.000) 9.753 5.732 ( 0.177 0.307 -0.000) 0.355 5.806 ( -1.940 -3.360 -0.000) 3.880 5.966 ( 2.804 4.857 0.000) 5.608 6.329 ( -2.222 -3.849 0.000) 4.445 6.412 ( -0.042 -0.072 -0.000) 0.083 7.475 ( 1.578 2.732 -0.000) 3.155======================= Grid point 522 (194/288) =======================q-point: ( 0.57 0.57 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.840 ( -0.000 2.930 -2.928) 4.143 1.854 ( -0.000 1.726 -0.768) 1.889 2.515 ( 0.000 1.790 1.397) 2.270 2.522 ( -0.000 5.630 0.440) 5.647 2.837 ( 0.000 -4.527 3.542) 5.748 4.174 ( -0.000 7.739 -1.397) 7.864 5.365 ( -0.000 0.665 0.025) 0.665 5.756 ( -0.000 2.913 -1.216) 3.156 6.056 ( -0.000 3.332 -0.090) 3.333 6.171 ( 0.000 -5.596 3.479) 6.589 6.497 ( -0.000 -2.766 -3.227) 4.250 7.815 ( -0.000 -1.190 -1.584) 1.981======================= Grid point 523 (195/288) =======================q-point: ( 0.64 0.57 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.910 ( 4.187 2.915 0.251) 5.108 1.939 ( 6.576 3.496 1.982) 7.707 2.531 ( 0.016 0.493 1.258) 1.351 2.636 ( 8.014 2.803 -0.915) 8.539 2.792 ( -0.137 -4.807 2.271) 5.318 4.214 ( -1.202 3.596 -2.320) 4.445 5.443 ( 8.164 0.318 -0.199) 8.173 5.770 ( -1.683 3.304 -0.321) 3.721 6.080 ( -0.347 2.091 0.042) 2.120 6.125 ( 0.320 -5.347 1.929) 5.694 6.462 ( -1.661 0.142 -2.130) 2.704 7.769 ( -3.959 -0.180 -0.738) 4.031======================= Grid point 524 (196/288) =======================q-point: (-0.29 -0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.022 ( 6.464 0.598 0.852) 6.547 2.108 ( 6.240 4.265 3.034) 8.144 2.533 ( 0.033 -0.780 0.733) 1.071 2.674 ( -3.018 -2.556 -2.166) 4.509 2.921 ( 17.677 -1.349 1.661) 17.806 4.188 ( -3.248 0.243 -2.227) 3.946 5.610 ( 10.120 -0.573 -0.706) 10.160 5.762 ( -2.268 1.935 0.489) 3.021 6.080 ( -1.910 1.111 0.941) 2.401 6.116 ( 3.823 -2.218 0.414) 4.439 6.431 ( -2.204 1.415 -0.813) 2.742 7.679 ( -6.558 0.755 -0.204) 6.604======================= Grid point 525 (197/288) =======================q-point: (-0.21 -0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.134 ( 6.705 -2.106 1.466) 7.179 2.225 ( 3.248 1.302 1.530) 3.819 2.512 ( -0.946 -2.640 -1.158) 3.034 2.590 ( -3.505 0.557 -1.845) 4.000 3.232 ( 19.976 -5.355 0.946) 20.703 4.101 ( -5.724 -0.665 -1.026) 5.853 5.712 ( 2.832 -3.525 -0.392) 4.539 5.753 ( 1.043 1.118 -0.238) 1.547 6.051 ( -3.531 2.223 2.320) 4.774 6.223 ( 8.556 0.516 -0.306) 8.577 6.409 ( -2.168 1.168 -0.141) 2.467 7.573 ( -6.601 1.630 0.125) 6.801======================= Grid point 537 (198/288) =======================q-point: (-0.36 -0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.894 ( 0.000 1.755 1.886) 2.577 1.955 ( 0.000 7.314 6.832) 10.009 2.534 ( 0.000 -0.560 1.214) 1.337 2.567 ( -0.000 -0.934 -1.055) 1.409 2.754 ( 0.000 -4.529 -0.489) 4.555 4.232 ( -0.000 -0.333 -3.175) 3.193 5.369 ( -0.000 -0.101 -0.120) 0.156 5.817 ( -0.000 2.452 0.986) 2.643 6.082 ( 0.000 -3.109 0.176) 3.114 6.090 ( -0.000 0.010 -0.131) 0.132 6.487 ( -0.000 2.330 -1.278) 2.658 7.805 ( -0.000 0.900 -0.370) 0.973======================= Grid point 538 (199/288) =======================q-point: (-0.29 -0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.944 ( 3.230 0.745 2.184) 3.970 2.093 ( 3.646 6.499 7.925) 10.878 2.522 ( -0.194 -2.216 0.369) 2.255 2.629 ( 8.883 -1.665 -1.258) 9.125 2.703 ( 0.373 -4.352 -1.244) 4.542 4.192 ( -0.676 -4.163 -3.254) 5.327 5.438 ( 7.830 -0.715 -0.404) 7.873 5.812 ( -1.993 -0.533 1.339) 2.459 6.065 ( 0.039 -0.897 -0.613) 1.087 6.100 ( 1.208 1.136 0.849) 1.863 6.494 ( -2.084 3.488 -0.616) 4.109 7.784 ( -4.006 2.048 -0.217) 4.505======================= Grid point 539 (200/288) =======================q-point: (-0.21 -0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.012 ( 4.448 -2.494 1.333) 5.271 2.205 ( 2.305 1.341 4.777) 5.471 2.486 ( -0.220 -3.722 -1.327) 3.958 2.638 ( -2.093 0.827 -2.954) 3.714 2.859 ( 17.414 -4.951 2.090) 18.224 4.114 ( -0.936 -6.603 -2.237) 7.034 5.572 ( 8.454 -2.783 -1.156) 8.975 5.766 ( -1.741 -1.711 0.861) 2.588 6.062 ( 1.712 -2.348 0.176) 2.911 6.166 ( 2.105 5.304 2.406) 6.193 6.485 ( -3.331 4.502 -0.671) 5.640 7.713 ( -6.803 2.841 -0.070) 7.372======================= Grid point 552 (201/288) =======================q-point: (-0.29 -0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.937 ( 0.000 0.953 2.513) 2.687 2.153 ( 0.000 4.252 9.439) 10.352 2.476 ( 0.000 -7.249 -1.449) 7.392 2.523 ( 0.000 -0.861 2.488) 2.633 2.677 ( -0.000 -0.610 -3.797) 3.845 4.119 ( -0.000 -9.173 -3.724) 9.900 5.359 ( 0.000 -0.977 -0.212) 1.000 5.814 ( 0.000 -3.093 0.896) 3.221 6.056 ( 0.000 -3.166 -0.089) 3.167 6.116 ( -0.000 6.155 0.887) 6.218 6.553 ( -0.000 4.814 -0.300) 4.823 7.846 ( -0.000 3.504 -0.505) 3.541======================= Grid point 553 (202/288) =======================q-point: (-0.21 -0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.953 ( 0.735 -1.761 1.121) 2.214 2.186 ( 1.035 -3.398 3.795) 5.198 2.422 ( 2.238 -7.453 -1.337) 7.896 2.572 ( 5.617 -5.496 2.208) 8.163 2.701 ( 1.914 7.697 0.270) 7.936 4.003 ( 1.052 -13.317 -3.137) 13.722 5.405 ( 6.556 -2.474 -0.543) 7.028 5.773 ( -1.230 -2.625 0.248) 2.910 6.019 ( 0.070 -3.328 -0.160) 3.332 6.206 ( 1.485 7.298 3.024) 8.038 6.587 ( -2.202 6.383 -0.486) 6.769 7.846 ( -4.355 4.464 -0.760) 6.282======================= Grid point 567 (203/288) =======================q-point: (-0.21 -0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.933 ( 0.000 -3.288 -1.292) 3.533 2.110 ( 0.000 -10.300 -1.463) 10.404 2.293 ( 0.000 -9.791 1.371) 9.886 2.505 ( 0.000 -4.086 1.969) 4.536 2.789 ( -0.000 11.572 3.950) 12.227 3.819 ( 0.000 -19.217 -3.030) 19.455 5.321 ( 0.000 -3.005 -0.162) 3.009 5.761 ( 0.000 -1.447 -0.428) 1.509 5.985 ( 0.000 -3.353 -0.009) 3.353 6.281 ( 0.000 8.031 3.944) 8.947 6.676 ( -0.000 7.974 -0.415) 7.985 7.931 ( -0.000 5.616 -1.656) 5.855======================= Grid point 644 (204/288) =======================q-point: ( 0.21 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.665 ( 0.000 -0.000 21.943) 21.943 0.665 ( 0.000 -0.000 21.943) 21.943 1.123 ( 0.000 -0.000 38.159) 38.159 2.024 ( -0.000 0.000 -6.185) 6.185 2.024 ( -0.000 0.000 -6.185) 6.185 3.710 ( -0.000 0.000 -16.028) 16.028 4.899 ( 0.000 -0.000 0.165) 0.165 4.899 ( 0.000 -0.000 0.165) 0.165 6.122 ( 0.000 -0.000 0.064) 0.064 6.122 ( 0.000 -0.000 0.064) 0.064 7.594 ( 0.000 -0.000 3.746) 3.746 8.124 ( -0.000 0.000 -1.398) 1.398======================= Grid point 645 (205/288) =======================q-point: ( 0.29 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.721 ( 5.140 2.967 18.197) 19.140 0.894 ( 6.067 3.503 23.307) 24.337 1.511 ( 22.339 12.897 24.153) 35.337 2.021 ( 3.144 1.815 -6.983) 7.870 2.050 ( 2.377 1.373 -5.566) 6.206 3.403 ( -8.995 -5.193 -7.691) 12.924 4.936 ( 2.707 1.563 0.222) 3.134 5.666 ( 38.294 22.109 -24.367) 50.488 6.087 ( -3.167 -1.828 -0.217) 3.663 6.093 ( -2.253 -1.301 0.032) 2.602 7.578 ( -2.982 -1.722 4.600) 5.746 8.085 ( -3.027 -1.748 -4.989) 6.091======================= Grid point 646 (206/288) =======================q-point: ( 0.36 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.968 ( 11.603 6.699 11.227) 17.480 1.093 ( 6.027 3.480 17.636) 18.960 2.073 ( 13.876 8.011 -11.053) 19.465 2.097 ( 3.230 1.865 -4.726) 6.021 2.180 ( 19.126 11.042 15.590) 27.033 3.284 ( -0.435 -0.251 -6.987) 7.005 5.020 ( 4.652 2.686 0.205) 5.376 5.983 ( -5.525 -3.190 -0.769) 6.426 6.028 ( -3.265 -1.885 -0.002) 3.770 6.215 ( 17.489 10.098 -14.937) 25.119 7.482 ( -7.125 -4.114 7.779) 11.322 7.953 ( -6.090 -3.516 -10.043) 12.260======================= Grid point 647 (207/288) =======================q-point: ( 0.43 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.280 ( 12.866 7.428 5.929) 15.996 1.284 ( 7.472 4.314 7.563) 11.473 2.169 ( 4.307 2.487 -3.503) 6.084 2.253 ( 8.348 4.820 -6.559) 11.660 2.708 ( 18.342 10.590 4.312) 21.614 3.338 ( 7.109 4.104 -1.028) 8.273 5.140 ( 5.613 3.240 0.236) 6.485 5.847 ( -5.780 -3.337 -0.684) 6.709 5.960 ( -2.407 -1.390 -0.071) 2.781 6.430 ( 5.409 3.123 -7.803) 9.994 7.291 ( -12.567 -7.256 7.933) 16.538 7.794 ( -3.870 -2.235 -9.869) 10.833======================= Grid point 648 (208/288) =======================q-point: ( 0.50 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.485 ( 9.207 5.316 0.371) 10.637 1.563 ( 10.600 6.120 1.993) 12.401 2.273 ( 5.552 3.206 -1.750) 6.646 2.410 ( 6.544 3.778 -3.111) 8.172 2.965 ( 4.905 2.832 -1.568) 5.876 3.604 ( 14.039 8.105 3.749) 16.638 5.260 ( 4.485 2.589 0.324) 5.188 5.737 ( -3.341 -1.929 -0.494) 3.890 5.934 ( 0.446 0.258 -0.135) 0.532 6.451 ( -0.670 -0.387 -5.136) 5.194 6.962 ( -16.987 -9.807 2.388) 19.760 7.740 ( 0.383 0.221 -3.199) 3.230======================= Grid point 649 (209/288) =======================q-point: ( 0.57 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.699 ( 10.102 5.832 -3.937) 12.311 1.763 ( 6.903 3.985 -0.841) 8.015 2.402 ( 5.707 3.295 0.079) 6.590 2.521 ( 3.893 2.248 -2.215) 5.012 2.983 ( -2.289 -1.321 -0.146) 2.647 3.904 ( 10.492 6.058 3.365) 12.574 5.335 ( 2.027 1.170 0.314) 2.361 5.704 ( 0.591 0.341 -0.606) 0.912 5.979 ( 3.170 1.830 -0.064) 3.661 6.411 ( -0.980 -0.566 -3.571) 3.746 6.584 ( -15.813 -9.130 0.388) 18.264 7.758 ( 1.084 0.626 0.199) 1.267======================= Grid point 650 (210/288) =======================q-point: ( 0.64 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.879 ( 3.973 2.294 -2.261) 5.115 1.914 ( 10.287 5.939 -7.157) 13.868 2.511 ( 3.276 1.892 1.182) 3.963 2.571 ( 1.071 0.618 -2.140) 2.472 2.882 ( -6.176 -3.566 0.848) 7.182 4.090 ( 4.992 2.882 3.823) 6.917 5.362 ( 0.529 0.305 0.213) 0.646 5.754 ( 3.737 2.158 -1.039) 4.439 6.053 ( 2.799 1.616 0.089) 3.233 6.268 ( -11.030 -6.368 -1.453) 12.819 6.411 ( 0.909 0.525 0.805) 1.323 7.779 ( 0.579 0.335 0.677) 0.952======================= Grid point 651 (211/288) =======================q-point: (-0.29 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.938 ( 2.024 1.169 -2.500) 3.422 2.114 ( 9.273 5.354 -9.103) 14.054 2.541 ( -1.150 -0.664 1.481) 1.989 2.563 ( -0.835 -0.482 -1.657) 1.917 2.738 ( -6.192 -3.575 1.286) 7.265 4.156 ( -0.425 -0.245 4.374) 4.401 5.367 ( -0.110 -0.063 0.153) 0.198 5.841 ( 2.956 1.707 -1.423) 3.698 6.084 ( -3.956 -2.284 -0.018) 4.569 6.087 ( 0.012 0.007 0.161) 0.162 6.460 ( 2.868 1.656 1.328) 3.568 7.795 ( 0.943 0.545 0.644) 1.266======================= Grid point 652 (212/288) =======================q-point: (-0.21 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.958 ( 0.305 0.176 -1.675) 1.712 2.224 ( 0.596 0.344 -5.083) 5.129 2.464 ( -5.925 -3.421 0.971) 6.910 2.557 ( 0.996 0.575 -5.007) 5.137 2.647 ( -0.361 -0.208 2.523) 2.557 4.083 ( -7.639 -4.410 3.836) 9.619 5.357 ( -0.865 -0.499 0.161) 1.011 5.819 ( -3.265 -1.885 -0.134) 3.773 6.055 ( -2.696 -1.557 0.110) 3.115 6.129 ( 6.410 3.701 -1.917) 7.646 6.546 ( 4.452 2.570 1.075) 5.251 7.838 ( 2.777 1.603 1.272) 3.450======================= Grid point 659 (213/288) =======================q-point: ( 0.29 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.859 ( 0.000 12.835 17.313) 21.552 1.008 ( 0.000 13.915 16.999) 21.967 1.536 ( 0.000 17.056 28.929) 33.583 1.947 ( -0.000 -1.349 -7.930) 8.044 2.074 ( -0.000 6.892 -6.541) 9.502 3.375 ( -0.000 -10.424 -9.293) 13.965 4.916 ( -0.000 2.270 0.223) 2.281 5.594 ( -0.000 41.451 -20.320) 46.163 6.083 ( 0.000 -3.349 -0.389) 3.371 6.101 ( 0.000 -2.275 0.036) 2.275 7.589 ( 0.000 -3.876 4.603) 6.017 8.084 ( -0.000 -2.157 -4.935) 5.386======================= Grid point 660 (214/288) =======================q-point: ( 0.36 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.046 ( 0.458 16.970 11.126) 20.297 1.197 ( -0.625 12.307 19.664) 23.206 1.889 ( 8.783 8.288 -3.195) 12.492 2.038 ( 14.129 10.937 10.284) 20.616 2.132 ( 0.760 7.758 -5.967) 9.817 3.259 ( -0.879 -2.684 -8.391) 8.854 4.981 ( 3.534 3.577 0.273) 5.035 5.981 ( 5.761 5.431 -6.861) 10.476 6.041 ( 0.831 2.979 -3.995) 5.052 6.066 ( 2.445 4.967 -5.494) 7.800 7.527 ( -2.725 -7.474 6.621) 10.350 7.999 ( -4.963 -2.270 -8.662) 10.238======================= Grid point 661 (215/288) =======================q-point: ( 0.43 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.278 ( 4.307 14.755 5.193) 16.224 1.350 ( -1.303 13.146 15.639) 20.472 2.043 ( 9.786 1.890 -7.555) 12.507 2.213 ( 2.442 8.257 -6.889) 11.027 2.533 ( 18.059 14.413 7.818) 24.392 3.266 ( 4.493 2.998 -3.833) 6.623 5.099 ( 4.731 5.422 0.326) 7.203 5.893 ( -4.456 -5.076 -0.702) 6.791 5.985 ( -2.474 -2.317 -0.006) 3.390 6.319 ( 8.758 6.525 -8.803) 14.027 7.389 ( -6.292 -10.938 8.512) 15.221 7.839 ( -6.886 -1.070 -10.696) 12.766======================= Grid point 662 (216/288) =======================q-point: ( 0.50 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.461 ( 3.371 9.303 3.587) 10.524 1.561 ( 3.463 15.575 6.222) 17.125 2.208 ( 7.437 5.043 -3.699) 9.717 2.334 ( 5.402 5.775 -3.995) 8.860 2.877 ( 8.997 5.303 -1.299) 10.524 3.470 ( 12.242 8.953 2.400) 15.356 5.239 ( 4.108 6.824 0.479) 7.979 5.771 ( -3.950 -3.853 -0.484) 5.539 5.937 ( -0.949 -0.798 -0.185) 1.254 6.412 ( 2.400 -0.586 -5.815) 6.318 7.129 ( -13.109 -12.310 4.295) 18.489 7.730 ( -1.669 -0.289 -5.161) 5.432======================= Grid point 663 (217/288) =======================q-point: ( 0.57 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.632 ( 5.370 8.922 0.627) 10.432 1.761 ( 2.684 11.617 1.271) 11.991 2.373 ( 5.063 8.512 -1.282) 9.986 2.461 ( 5.036 3.000 -2.191) 6.258 2.977 ( 1.714 -0.360 -1.657) 2.411 3.788 ( 12.130 8.131 2.780) 14.865 5.357 ( 1.086 7.139 0.588) 7.245 5.697 ( -0.925 -1.871 -0.320) 2.111 5.947 ( 2.124 1.059 -0.256) 2.387 6.392 ( -0.025 -2.296 -4.603) 5.144 6.767 ( -15.915 -10.190 0.847) 18.917 7.723 ( 1.950 -1.622 -0.148) 2.541======================= Grid point 664 (218/288) =======================q-point: ( 0.64 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.811 ( 5.845 7.597 -1.748) 9.743 1.893 ( 1.756 8.985 -2.191) 9.413 2.525 ( 2.199 8.923 0.631) 9.212 2.541 ( 2.595 1.159 -2.010) 3.481 2.938 ( -3.675 -2.456 -0.791) 4.491 4.027 ( 7.673 4.248 2.992) 9.267 5.418 ( -2.052 7.005 0.497) 7.316 5.704 ( 2.786 -0.043 -0.472) 2.826 6.015 ( 3.632 1.725 -0.073) 4.021 6.347 ( -2.788 -3.562 -5.854) 7.398 6.452 ( -9.534 -4.668 3.615) 11.214 7.742 ( 2.420 -2.752 0.930) 3.781======================= Grid point 665 (219/288) =======================q-point: ( 0.71 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.930 ( 1.359 4.723 -1.821) 5.242 2.024 ( 5.525 8.499 -6.439) 12.009 2.560 ( -0.070 -0.333 -1.613) 1.648 2.609 ( -1.709 6.205 1.819) 6.688 2.821 ( -6.692 -1.496 -0.685) 6.892 4.153 ( 2.877 0.899 3.860) 4.898 5.437 ( -3.643 6.868 0.386) 7.783 5.775 ( 4.832 0.569 -0.840) 4.937 6.081 ( 2.009 1.208 -0.018) 2.345 6.159 ( -7.877 -3.775 -1.438) 8.852 6.424 ( 2.315 -0.190 1.616) 2.830 7.756 ( 2.409 -2.973 0.618) 3.876======================= Grid point 666 (220/288) =======================q-point: (-0.21 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.964 ( -0.623 2.881 -2.086) 3.611 2.168 ( 4.819 5.038 -7.772) 10.441 2.523 ( -2.846 -1.957 0.391) 3.476 2.618 ( -2.565 4.944 1.088) 5.675 2.698 ( -7.242 0.671 -0.215) 7.276 4.158 ( -3.324 -2.238 3.838) 5.549 5.434 ( -4.460 6.179 0.397) 7.631 5.823 ( 0.517 -2.268 -0.910) 2.498 6.061 ( -1.130 -0.597 0.228) 1.298 6.110 ( 0.787 2.654 -1.171) 3.006 6.486 ( 4.405 0.137 1.156) 4.557 7.780 ( 3.693 -2.395 0.613) 4.444======================= Grid point 674 (221/288) =======================q-point: ( 0.36 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.257 ( 0.000 16.668 10.349) 19.620 1.391 ( 0.000 15.884 10.519) 19.052 1.878 ( -0.000 -0.549 -7.654) 7.674 2.087 ( 0.000 23.082 17.141) 28.750 2.185 ( -0.000 8.546 -8.802) 12.268 3.217 ( -0.000 -0.851 -7.027) 7.078 4.992 ( -0.000 5.131 0.515) 5.157 5.958 ( -0.000 -2.379 -1.150) 2.642 6.040 ( 0.000 -3.635 -0.121) 3.637 6.098 ( -0.000 15.617 -10.907) 19.049 7.479 ( 0.000 -11.149 6.851) 13.085 7.998 ( -0.000 -1.269 -9.899) 9.980======================= Grid point 675 (222/288) =======================q-point: ( 0.43 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.417 ( -1.205 14.652 3.718) 15.164 1.590 ( -0.842 16.439 13.198) 21.098 1.891 ( 6.078 1.968 -8.385) 10.541 2.243 ( 0.881 7.378 -7.627) 10.648 2.463 ( 11.001 19.027 7.669) 23.278 3.232 ( 2.280 4.686 -2.574) 5.813 5.085 ( 3.751 6.492 0.641) 7.525 5.893 ( -2.158 -5.683 -0.399) 6.092 5.991 ( -1.335 -3.128 -0.149) 3.404 6.247 ( 4.824 8.295 -6.912) 11.826 7.358 ( -2.169 -14.204 7.391) 16.158 7.910 ( -5.255 -0.248 -10.772) 11.988======================= Grid point 676 (223/288) =======================q-point: ( 0.50 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.537 ( 0.515 10.842 -0.099) 10.854 1.755 ( -2.426 16.163 10.469) 19.409 2.079 ( 12.038 6.523 -5.072) 14.601 2.320 ( 2.618 6.456 -5.179) 8.680 2.785 ( 8.292 8.273 -0.533) 11.726 3.399 ( 8.133 11.310 2.484) 14.150 5.239 ( 5.217 8.302 0.818) 9.839 5.789 ( -3.357 -4.780 -0.571) 5.869 5.943 ( -1.177 -1.629 -0.358) 2.041 6.342 ( 3.150 0.277 -4.347) 5.375 7.168 ( -5.748 -15.354 5.665) 17.346 7.776 ( -5.889 0.160 -7.880) 9.838======================= Grid point 677 (224/288) =======================q-point: ( 0.57 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.666 ( 2.770 10.027 0.078) 10.403 1.889 ( -1.263 12.323 4.633) 13.225 2.345 ( 9.342 10.403 -1.130) 14.028 2.422 ( 3.628 5.863 -2.744) 7.421 2.920 ( 3.967 1.042 -2.196) 4.653 3.691 ( 10.407 11.013 2.398) 15.341 5.410 ( 3.522 9.711 1.083) 10.386 5.699 ( -2.182 -2.961 -0.438) 3.704 5.928 ( 0.635 0.174 -0.679) 0.945 6.344 ( 0.844 -2.838 -3.725) 4.759 6.896 ( -10.895 -12.780 1.923) 16.904 7.689 ( -1.436 -1.796 -2.366) 3.299======================= Grid point 678 (225/288) =======================q-point: ( 0.64 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.821 ( 3.678 9.727 -0.003) 10.400 1.983 ( -1.047 9.436 1.075) 9.554 2.499 ( 3.350 2.021 -1.116) 4.068 2.590 ( 3.441 12.330 0.338) 12.805 2.953 ( 0.300 0.511 -2.031) 2.115 3.942 ( 8.308 5.757 1.725) 10.254 5.537 ( -0.635 9.875 1.154) 9.962 5.666 ( 0.747 -0.829 -0.285) 1.152 5.966 ( 3.240 0.996 -0.667) 3.455 6.313 ( 0.278 -2.676 -3.810) 4.664 6.595 ( -11.860 -7.770 1.185) 14.228 7.665 ( 1.979 -4.170 0.399) 4.633======================= Grid point 679 (226/288) =======================q-point: ( 0.71 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.965 ( 2.217 8.447 -0.795) 8.769 2.054 ( -0.227 8.119 -1.460) 8.253 2.544 ( 1.188 0.429 -1.375) 1.867 2.691 ( -1.113 2.283 2.314) 3.436 2.951 ( -4.708 9.221 -2.743) 10.711 4.098 ( 5.576 0.899 2.509) 6.180 5.594 ( -3.823 9.376 0.870) 10.163 5.702 ( 3.530 0.447 -0.256) 3.567 6.036 ( 3.942 0.189 -0.390) 3.966 6.241 ( -5.594 -2.753 -3.464) 7.133 6.417 ( -2.687 -1.625 2.219) 3.845 7.666 ( 3.197 -5.213 0.621) 6.147======================= Grid point 680 (227/288) =======================q-point: (-0.21 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.031 ( -2.334 6.020 -1.003) 6.534 2.143 ( 2.603 6.642 -4.263) 8.310 2.540 ( -1.122 -0.883 -0.707) 1.593 2.650 ( -1.480 -3.798 2.897) 5.001 2.939 ( -10.233 14.164 -2.121) 17.602 4.164 ( 1.623 -2.159 2.875) 3.945 5.603 ( -5.581 8.247 0.805) 9.990 5.767 ( 3.264 -0.882 -0.582) 3.431 6.090 ( 2.222 -0.622 -1.214) 2.607 6.121 ( -4.499 1.764 -0.458) 4.854 6.423 ( 2.479 -0.669 0.972) 2.746 7.677 ( 4.040 -5.126 0.304) 6.533======================= Grid point 689 (228/288) =======================q-point: ( 0.43 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.589 ( -0.000 12.422 1.487) 12.511 1.727 ( -0.000 12.669 -4.162) 13.335 1.860 ( 0.000 3.783 3.231) 4.975 2.276 ( -0.000 6.243 -8.049) 10.186 2.590 ( -0.000 18.614 5.878) 19.520 3.279 ( -0.000 10.000 1.349) 10.091 5.117 ( -0.000 6.895 0.762) 6.937 5.856 ( 0.000 -5.464 -0.375) 5.476 5.970 ( 0.000 -2.921 -0.300) 2.936 6.263 ( -0.000 5.187 -3.591) 6.309 7.244 ( 0.000 -16.450 6.090) 17.541 7.924 ( -0.000 0.205 -10.415) 10.417======================= Grid point 690 (229/288) =======================q-point: ( 0.50 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.641 ( -2.163 8.610 -4.727) 10.057 1.896 ( 7.352 2.709 -5.640) 9.653 1.979 ( 3.662 16.138 7.015) 17.974 2.326 ( 1.590 5.736 -5.149) 7.870 2.780 ( 2.865 9.652 2.013) 10.267 3.444 ( 3.341 15.649 3.847) 16.458 5.230 ( 4.719 7.386 0.794) 8.800 5.787 ( -1.927 -4.516 -0.780) 4.972 5.941 ( -0.577 -1.368 -0.382) 1.533 6.298 ( 1.254 0.390 -1.348) 1.882 7.081 ( -1.603 -17.100 4.485) 17.751 7.852 ( -4.814 0.235 -8.491) 9.764======================= Grid point 691 (230/288) =======================q-point: ( 0.57 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.710 ( 2.286 8.217 -3.196) 9.108 1.993 ( 2.231 4.722 -0.139) 5.225 2.289 ( 10.424 14.466 2.095) 17.953 2.410 ( 3.432 5.833 -2.874) 7.353 2.878 ( 1.874 2.281 0.420) 2.982 3.689 ( 5.410 14.836 2.499) 15.988 5.414 ( 6.917 8.266 0.866) 10.813 5.708 ( -2.393 -2.835 -0.879) 3.813 5.927 ( -0.401 0.536 -0.657) 0.938 6.298 ( 0.442 -2.427 -0.869) 2.615 6.885 ( -3.873 -15.471 2.283) 16.111 7.733 ( -5.784 -0.608 -4.808) 7.546======================= Grid point 692 (231/288) =======================q-point: ( 0.64 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.847 ( 4.229 8.690 -0.915) 9.707 2.072 ( 1.079 5.551 0.400) 5.669 2.470 ( 2.667 3.192 0.409) 4.180 2.627 ( 6.826 12.013 0.033) 13.817 2.929 ( 3.487 2.500 -0.357) 4.305 3.900 ( 4.652 8.644 0.718) 9.843 5.600 ( 3.788 6.979 1.139) 8.022 5.663 ( -0.000 0.899 -0.670) 1.121 5.936 ( 0.745 1.224 -0.986) 1.739 6.274 ( 0.357 -2.219 -1.214) 2.555 6.668 ( -6.464 -11.037 0.688) 12.809 7.632 ( -2.866 -2.624 -1.320) 4.104======================= Grid point 693 (232/288) =======================q-point: ( 0.71 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.998 ( 3.567 8.237 -0.605) 8.997 2.140 ( -0.183 6.281 0.695) 6.322 2.526 ( 1.476 1.258 -0.395) 1.979 2.710 ( -1.236 -2.215 1.062) 2.750 3.098 ( 3.411 16.041 -1.383) 16.458 4.020 ( 4.027 1.093 0.824) 4.254 5.648 ( 1.595 0.921 0.030) 1.841 5.743 ( -0.566 7.735 0.775) 7.794 5.965 ( 2.744 -0.964 -0.778) 3.010 6.266 ( -0.157 0.434 -1.830) 1.888 6.479 ( -5.891 -4.832 0.833) 7.664 7.577 ( 0.665 -4.648 0.150) 4.697======================= Grid point 694 (233/288) =======================q-point: ( 0.79 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.113 ( 1.052 6.936 -1.505) 7.175 2.191 ( -1.300 6.304 0.464) 6.453 2.543 ( -0.053 0.103 -0.707) 0.716 2.631 ( -1.778 -6.553 1.405) 6.934 3.252 ( -6.427 19.123 -1.522) 20.232 4.080 ( 4.747 -4.418 1.593) 6.678 5.702 ( 3.018 1.343 -0.023) 3.303 5.763 ( -4.156 4.644 0.477) 6.250 6.005 ( 4.462 -2.841 -0.644) 5.329 6.241 ( -4.726 4.342 -0.619) 6.448 6.404 ( -0.616 -0.605 0.268) 0.904 7.559 ( 3.022 -5.504 0.208) 6.283======================= Grid point 704 (234/288) =======================q-point: ( 0.50 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.741 ( -0.000 5.714 -8.712) 10.419 1.782 ( -0.000 3.026 -8.071) 8.619 2.115 ( 0.000 12.792 6.035) 14.144 2.357 ( -0.000 5.732 -2.190) 6.136 2.854 ( 0.000 6.196 3.635) 7.183 3.601 ( -0.000 18.354 3.851) 18.754 5.252 ( -0.000 5.791 0.639) 5.826 5.761 ( 0.000 -3.383 -1.237) 3.602 5.939 ( -0.000 0.276 -0.301) 0.408 6.289 ( 0.000 -0.851 1.252) 1.514 6.934 ( 0.000 -17.089 2.354) 17.250 7.870 ( -0.000 -0.058 -7.374) 7.374======================= Grid point 705 (235/288) =======================q-point: ( 0.57 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.734 ( 0.700 5.480 -6.001) 8.156 1.899 ( 8.449 1.656 -6.851) 11.003 2.300 ( 5.806 12.983 3.564) 14.661 2.418 ( 1.198 5.094 -0.058) 5.233 2.898 ( -0.591 1.377 3.601) 3.900 3.800 ( 1.376 16.555 1.968) 16.728 5.360 ( 6.297 4.914 0.403) 7.998 5.717 ( -1.592 -1.687 -1.411) 2.715 5.947 ( -0.438 2.265 -0.296) 2.326 6.278 ( -0.319 -2.154 2.354) 3.207 6.770 ( -0.843 -15.392 0.400) 15.420 7.808 ( -4.484 -0.395 -5.106) 6.807======================= Grid point 706 (236/288) =======================q-point: ( 0.64 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.838 ( 5.078 6.810 -1.964) 8.719 2.031 ( 6.968 1.694 -3.378) 7.927 2.475 ( 1.197 3.684 1.412) 4.123 2.590 ( 10.374 11.130 -0.007) 15.215 2.901 ( 0.947 -0.623 3.240) 3.433 3.960 ( 0.551 11.292 -0.107) 11.306 5.547 ( 9.131 4.574 0.155) 10.214 5.675 ( -1.545 0.263 -1.172) 1.957 5.963 ( -1.012 3.331 -0.373) 3.501 6.254 ( -0.389 -2.363 2.217) 3.263 6.613 ( -1.568 -12.129 -0.676) 12.249 7.695 ( -6.189 -0.815 -2.519) 6.732======================= Grid point 707 (237/288) =======================q-point: ( 0.71 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.996 ( 5.268 6.835 -0.153) 8.631 2.148 ( 4.867 3.024 -0.997) 5.816 2.521 ( 0.845 1.713 0.638) 2.014 2.714 ( -1.637 -2.110 0.167) 2.676 3.085 ( 13.499 10.750 1.369) 17.311 4.028 ( -1.662 4.526 -0.792) 4.887 5.649 ( -0.197 1.836 -0.276) 1.867 5.747 ( 6.748 3.456 -0.183) 7.584 5.963 ( -2.250 1.899 -0.334) 2.963 6.253 ( 1.686 -0.233 1.032) 1.990 6.484 ( -1.819 -7.222 -0.426) 7.460 7.581 ( -4.852 -1.725 -0.694) 5.196======================= Grid point 708 (238/288) =======================q-point: ( 0.79 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.133 ( 3.297 5.711 -0.000) 6.595 2.247 ( 2.582 4.472 -0.000) 5.164 2.543 ( 0.325 0.563 -0.000) 0.650 2.611 ( -3.961 -6.860 -0.000) 7.921 3.430 ( 9.054 15.682 -0.000) 18.108 3.993 ( -2.212 -3.832 -0.000) 4.425 5.679 ( 1.350 2.338 -0.000) 2.699 5.848 ( 1.392 2.411 -0.000) 2.783 5.922 ( -1.333 -2.309 -0.000) 2.666 6.307 ( 1.789 3.098 -0.000) 3.577 6.416 ( -1.018 -1.764 -0.000) 2.036 7.500 ( -1.668 -2.890 -0.000) 3.337======================= Grid point 720 (239/288) =======================q-point: ( 0.57 0.57 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.761 ( -0.000 3.534 -8.009) 8.754 1.803 ( -0.000 2.955 -3.444) 4.538 2.369 ( -0.000 9.992 2.249) 10.242 2.460 ( -0.000 4.379 1.498) 4.628 2.919 ( 0.000 -1.518 4.251) 4.514 3.951 ( -0.000 14.549 0.398) 14.555 5.337 ( -0.000 2.568 0.203) 2.576 5.718 ( -0.000 0.102 -1.523) 1.526 5.980 ( -0.000 3.679 -0.133) 3.681 6.270 ( 0.000 -2.749 4.357) 5.152 6.634 ( 0.000 -12.660 -2.035) 12.823 7.828 ( -0.000 -0.623 -3.961) 4.009======================= Grid point 721 (240/288) =======================q-point: ( 0.64 0.57 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.812 ( 3.781 5.652 -2.015) 7.092 1.898 ( 7.443 1.861 -2.704) 8.135 2.502 ( 0.471 3.265 1.876) 3.795 2.527 ( 7.129 7.828 0.392) 10.595 2.895 ( -0.811 -3.820 3.722) 5.394 4.070 ( -0.474 10.336 -1.333) 10.433 5.424 ( 7.549 1.777 -0.116) 7.756 5.710 ( -1.504 1.861 -1.112) 2.639 6.014 ( -0.523 4.081 -0.079) 4.115 6.245 ( -0.573 -4.270 4.660) 6.346 6.518 ( -0.560 -8.191 -3.222) 8.820 7.775 ( -4.160 -0.511 -2.322) 4.792======================= Grid point 722 (241/288) =======================q-point: ( 0.71 0.57 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.959 ( 6.083 5.769 0.467) 8.397 2.049 ( 8.024 2.116 -0.540) 8.316 2.532 ( 0.145 1.298 1.338) 1.870 2.708 ( 2.340 0.675 -1.389) 2.804 2.921 ( 10.790 0.891 3.370) 11.340 4.120 ( -2.475 5.754 -2.115) 6.611 5.601 ( 10.146 1.377 -0.521) 10.253 5.704 ( -1.399 3.020 -0.490) 3.365 6.033 ( -1.984 3.406 0.135) 3.944 6.210 ( 1.144 -4.929 3.153) 5.962 6.438 ( -0.852 -3.705 -2.200) 4.392 7.674 ( -6.391 -0.181 -0.951) 6.463======================= Grid point 736 (242/288) =======================q-point: ( 0.64 0.64 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.831 ( -0.000 6.521 1.013) 6.599 1.852 ( -0.000 2.897 0.364) 2.920 2.524 ( -0.000 4.923 -0.141) 4.925 2.531 ( 0.000 1.601 1.909) 2.491 2.865 ( 0.000 -5.649 2.441) 6.154 4.155 ( -0.000 6.992 -2.691) 7.492 5.365 ( -0.000 0.609 -0.074) 0.613 5.748 ( -0.000 3.433 -0.476) 3.466 6.055 ( -0.000 3.320 -0.113) 3.322 6.206 ( 0.000 -7.263 3.948) 8.267 6.464 ( -0.000 -1.910 -3.600) 4.075 7.800 ( -0.000 -0.331 -1.497) 1.533======================= Grid point 738 (243/288) =======================q-point: (-0.29 -0.36 -0.79)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.916 ( 3.954 3.134 1.072) 5.158 1.972 ( 5.708 6.865 4.670) 10.075 2.544 ( -0.111 0.188 1.605) 1.619 2.625 ( 7.177 2.160 -1.422) 7.629 2.810 ( 0.855 -5.981 1.607) 6.251 4.187 ( -0.988 3.263 -3.377) 4.799 5.440 ( 7.989 0.276 -0.328) 8.000 5.770 ( -1.772 4.021 0.289) 4.404 6.080 ( -0.167 2.228 0.075) 2.236 6.143 ( 0.396 -7.086 1.886) 7.343 6.442 ( -1.449 1.164 -2.173) 2.859 7.762 ( -3.876 0.307 -0.727) 3.956======================= Grid point 753 (244/288) =======================q-point: (-0.29 -0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.914 ( 0.000 2.253 2.415) 3.303 2.029 ( 0.000 9.722 8.730) 13.066 2.548 ( 0.000 -0.797 1.577) 1.767 2.555 ( -0.000 -1.236 -1.388) 1.858 2.748 ( 0.000 -6.241 -0.879) 6.303 4.197 ( -0.000 -0.451 -4.142) 4.167 5.368 ( -0.000 -0.126 -0.151) 0.197 5.828 ( 0.000 3.208 1.315) 3.467 6.083 ( 0.000 -4.180 0.141) 4.182 6.089 ( -0.000 0.013 -0.163) 0.163 6.474 ( -0.000 3.093 -1.479) 3.428 7.801 ( -0.000 1.107 -0.547) 1.235======================= Grid point 860 (245/288) =======================q-point: ( 0.29 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.861 ( 0.000 -0.000 19.760) 19.760 0.861 ( 0.000 -0.000 19.760) 19.760 1.471 ( 0.000 -0.000 35.618) 35.618 1.958 ( -0.000 0.000 -7.639) 7.639 1.958 ( -0.000 0.000 -7.639) 7.639 3.542 ( -0.000 0.000 -19.362) 19.362 4.900 ( 0.000 -0.000 0.168) 0.168 4.900 ( 0.000 -0.000 0.168) 0.168 6.122 ( 0.000 -0.000 0.064) 0.064 6.122 ( 0.000 -0.000 0.064) 0.064 7.630 ( 0.000 -0.000 3.886) 3.886 8.110 ( -0.000 0.000 -1.598) 1.598======================= Grid point 861 (246/288) =======================q-point: ( 0.36 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.894 ( 2.954 1.706 18.183) 18.500 1.106 ( 7.473 4.315 21.458) 23.129 1.708 ( 11.277 6.511 14.619) 19.578 1.976 ( 6.688 3.861 0.339) 7.730 1.990 ( 2.873 1.659 -7.176) 7.906 3.308 ( -7.518 -4.341 -12.241) 15.007 4.937 ( 2.698 1.557 0.001) 3.115 5.483 ( 35.430 20.456 -14.984) 43.569 6.085 ( -3.355 -1.937 -0.257) 3.882 6.094 ( -2.260 -1.305 0.107) 2.612 7.621 ( -2.128 -1.229 4.411) 5.050 8.044 ( -5.164 -2.981 -3.892) 7.120======================= Grid point 862 (247/288) =======================q-point: ( 0.43 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.086 ( 8.920 5.150 13.454) 16.944 1.274 ( 1.985 1.146 20.245) 20.374 1.956 ( 11.797 6.811 -13.159) 18.940 2.045 ( 3.873 2.236 -6.439) 7.840 2.324 ( 18.508 10.685 14.164) 25.638 3.210 ( 1.462 0.844 -8.571) 8.736 5.021 ( 4.681 2.703 -0.154) 5.407 5.975 ( -5.097 -2.943 -0.822) 5.942 6.029 ( -3.294 -1.902 0.133) 3.806 6.089 ( 20.063 11.583 -11.654) 25.933 7.557 ( -5.573 -3.218 8.109) 10.352 7.863 ( -8.052 -4.649 -9.140) 13.038======================= Grid point 863 (248/288) =======================q-point: ( 0.50 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.349 ( 10.592 6.115 8.647) 14.978 1.373 ( 3.355 1.937 10.948) 11.613 2.128 ( 5.192 2.998 -5.183) 7.925 2.188 ( 10.809 6.240 -6.842) 14.233 2.743 ( 13.944 8.050 2.784) 16.340 3.325 ( 10.408 6.009 -1.708) 12.139 5.141 ( 5.706 3.294 -0.141) 6.590 5.842 ( -5.700 -3.291 -0.304) 6.589 5.960 ( -2.464 -1.423 0.091) 2.847 6.358 ( 6.776 3.912 -7.275) 10.685 7.357 ( -14.894 -8.599 5.678) 18.112 7.717 ( -1.250 -0.722 -6.010) 6.181======================= Grid point 864 (249/288) =======================q-point: ( 0.57 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.509 ( 6.412 3.702 4.737) 8.789 1.593 ( 8.705 5.026 4.303) 10.934 2.250 ( 6.641 3.834 -3.109) 8.275 2.380 ( 7.338 4.236 -3.118) 9.028 2.948 ( 4.815 2.780 -2.071) 5.933 3.630 ( 14.566 8.410 1.840) 16.920 5.262 ( 4.578 2.643 0.035) 5.287 5.735 ( -3.346 -1.932 0.094) 3.865 5.934 ( 0.410 0.237 0.003) 0.473 6.401 ( 0.026 0.015 -5.492) 5.492 6.976 ( -18.064 -10.430 0.461) 20.864 7.728 ( 1.754 1.013 0.758) 2.163======================= Grid point 865 (250/288) =======================q-point: ( 0.64 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.681 ( 7.823 4.516 0.135) 9.034 1.762 ( 5.631 3.251 0.731) 6.543 2.398 ( 6.567 3.791 -0.805) 7.625 2.499 ( 4.008 2.314 -2.425) 5.225 2.975 ( -1.654 -0.955 -1.564) 2.468 3.931 ( 10.801 6.236 2.353) 12.692 5.337 ( 2.041 1.178 0.161) 2.362 5.702 ( 0.376 0.217 0.107) 0.447 5.979 ( 3.206 1.851 0.008) 3.703 6.368 ( -1.166 -0.673 -5.301) 5.469 6.595 ( -14.637 -8.451 1.761) 16.993 7.768 ( 1.092 0.630 1.963) 2.333======================= Grid point 866 (251/288) =======================q-point: ( 0.71 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.858 ( 8.356 4.824 -4.545) 10.665 1.861 ( 3.382 1.953 -1.431) 4.159 2.520 ( 3.704 2.139 0.705) 4.335 2.550 ( 1.218 0.703 -2.176) 2.591 2.881 ( -5.630 -3.251 -0.959) 6.571 4.125 ( 5.445 3.143 3.564) 7.227 5.364 ( 0.511 0.295 0.159) 0.611 5.747 ( 3.397 1.961 -0.335) 3.937 6.054 ( 2.844 1.642 0.112) 3.286 6.243 ( -8.510 -4.913 -3.617) 10.470 6.432 ( -0.450 -0.260 3.112) 3.155 7.787 ( 0.285 0.165 1.190) 1.235======================= Grid point 875 (252/288) =======================q-point: ( 0.36 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.029 ( 0.000 9.879 18.313) 20.807 1.154 ( 0.000 11.724 13.675) 18.012 1.784 ( 0.000 11.154 21.192) 23.948 1.871 ( -0.000 -1.357 -7.849) 7.966 2.018 ( -0.000 7.500 -3.215) 8.160 3.268 ( -0.000 -7.985 -13.143) 15.378 4.919 ( -0.000 2.343 0.400) 2.377 5.443 ( -0.000 38.352 -12.193) 40.244 6.081 ( 0.000 -3.814 -0.220) 3.820 6.101 ( 0.000 -2.313 -0.044) 2.314 7.631 ( 0.000 -2.902 4.257) 5.152 8.042 ( -0.000 -4.863 -3.964) 6.274======================= Grid point 876 (253/288) =======================q-point: ( 0.43 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.160 ( -0.778 12.796 12.838) 18.143 1.377 ( 2.522 9.733 18.335) 20.911 1.813 ( 3.085 3.687 -10.186) 11.264 2.026 ( 3.804 8.529 -9.534) 13.346 2.208 ( 12.168 11.468 15.948) 23.107 3.172 ( -0.011 -0.531 -9.678) 9.693 4.984 ( 3.358 3.774 0.216) 5.056 5.889 ( 14.204 21.883 -9.745) 27.850 6.014 ( -2.303 -3.391 -1.321) 4.306 6.055 ( -1.990 -2.678 -0.144) 3.340 7.590 ( -1.708 -6.067 6.573) 9.106 7.921 ( -6.053 -4.875 -7.743) 10.971======================= Grid point 877 (254/288) =======================q-point: ( 0.50 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.338 ( 3.456 10.301 7.311) 13.096 1.499 ( -3.645 11.258 15.499) 19.500 1.971 ( 11.893 3.436 -7.446) 14.446 2.138 ( 3.886 9.436 -8.572) 13.327 2.601 ( 14.028 10.241 5.923) 18.351 3.229 ( 6.577 6.103 -3.763) 9.729 5.100 ( 4.619 5.733 0.037) 7.362 5.888 ( -4.437 -5.077 -0.293) 6.749 5.985 ( -2.476 -2.440 0.063) 3.477 6.245 ( 9.523 8.351 -6.766) 14.359 7.468 ( -7.003 -11.987 8.120) 16.084 7.744 ( -5.581 -0.451 -9.098) 10.683======================= Grid point 878 (255/288) =======================q-point: ( 0.57 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.496 ( 3.712 6.918 4.200) 8.903 1.638 ( -0.081 14.010 9.720) 17.052 2.169 ( 8.422 5.831 -4.666) 11.256 2.296 ( 6.679 6.783 -3.713) 10.218 2.863 ( 7.846 4.102 -1.901) 9.055 3.486 ( 13.047 10.180 0.854) 16.570 5.242 ( 4.057 7.197 0.108) 8.263 5.769 ( -3.815 -3.924 0.087) 5.474 5.936 ( -0.944 -0.995 -0.037) 1.373 6.360 ( 2.494 0.240 -5.073) 5.658 7.155 ( -15.162 -12.727 1.195) 19.831 7.702 ( 1.129 -0.069 -0.522) 1.245======================= Grid point 879 (256/288) =======================q-point: ( 0.64 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.647 ( 4.395 7.585 2.750) 9.187 1.787 ( 0.333 10.565 4.188) 11.370 2.357 ( 6.072 9.392 -2.219) 11.402 2.441 ( 5.077 3.432 -2.100) 6.479 2.957 ( 2.165 -0.206 -2.427) 3.259 3.807 ( 12.365 8.253 1.248) 14.918 5.361 ( 0.991 7.469 0.286) 7.540 5.697 ( -0.926 -2.031 0.416) 2.270 5.945 ( 2.218 0.884 -0.111) 2.390 6.348 ( -0.091 -1.899 -4.636) 5.010 6.773 ( -15.721 -9.841 0.276) 18.549 7.733 ( 2.641 -2.045 2.282) 4.045======================= Grid point 880 (257/288) =======================q-point: ( 0.71 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.803 ( 4.356 7.491 0.051) 8.666 1.884 ( -0.155 8.038 0.289) 8.045 2.521 ( 2.557 2.107 -1.996) 3.869 2.528 ( 2.726 8.998 -0.032) 9.402 2.924 ( -3.211 -2.588 -2.371) 4.757 4.053 ( 8.357 4.371 2.350) 9.720 5.422 ( -2.194 7.230 0.341) 7.563 5.703 ( 2.567 -0.204 0.337) 2.597 6.014 ( 3.761 1.644 -0.030) 4.104 6.293 ( -3.264 -3.154 -5.519) 7.146 6.486 ( -7.958 -4.553 3.557) 9.834 7.755 ( 2.205 -3.205 1.785) 4.280======================= Grid point 890 (258/288) =======================q-point: ( 0.43 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.366 ( 0.000 12.075 12.676) 17.507 1.460 ( -0.000 13.125 3.032) 13.471 1.824 ( -0.000 0.760 -2.677) 2.783 2.047 ( -0.000 12.560 -14.260) 19.002 2.281 ( 0.000 14.441 17.221) 22.475 3.149 ( -0.000 2.604 -7.168) 7.627 4.998 ( -0.000 5.209 0.726) 5.259 5.947 ( -0.000 5.372 -1.214) 5.507 6.016 ( -0.000 10.849 -6.310) 12.551 6.038 ( 0.000 -3.693 -0.226) 3.700 7.545 ( 0.000 -10.352 7.255) 12.642 7.906 ( -0.000 -3.288 -9.648) 10.193======================= Grid point 891 (259/288) =======================q-point: ( 0.50 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.449 ( -2.171 10.019 2.624) 10.582 1.696 ( 5.801 13.307 7.465) 16.324 1.829 ( 1.877 3.697 -2.867) 5.041 2.145 ( 2.748 10.080 -11.424) 15.481 2.549 ( 7.531 13.617 8.948) 17.950 3.209 ( 2.982 8.718 -2.250) 9.484 5.091 ( 3.639 6.645 0.616) 7.601 5.891 ( -2.314 -5.865 -0.217) 6.309 5.990 ( -1.272 -3.241 -0.195) 3.488 6.196 ( 4.875 10.623 -3.836) 12.301 7.429 ( -1.984 -15.200 7.767) 17.184 7.810 ( -4.863 0.055 -10.433) 11.511======================= Grid point 892 (260/288) =======================q-point: ( 0.57 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.536 ( 1.668 8.344 -0.136) 8.510 1.851 ( -3.250 12.312 9.329) 15.785 2.033 ( 13.258 8.670 -4.611) 16.499 2.268 ( 4.078 8.060 -4.995) 10.322 2.785 ( 6.108 6.786 0.323) 9.136 3.416 ( 8.326 13.078 1.232) 15.552 5.245 ( 5.178 8.561 0.440) 10.015 5.785 ( -3.238 -4.949 -0.249) 5.919 5.940 ( -1.192 -1.837 -0.222) 2.201 6.310 ( 2.516 1.492 -2.402) 3.785 7.214 ( -7.233 -16.447 3.765) 18.358 7.714 ( -3.336 0.816 -4.999) 6.065======================= Grid point 893 (261/288) =======================q-point: ( 0.64 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.670 ( 3.734 8.795 0.883) 9.596 1.936 ( -1.957 9.468 5.086) 10.924 2.334 ( 9.536 13.533 -1.441) 16.617 2.396 ( 4.145 5.359 -2.179) 7.116 2.901 ( 3.497 1.503 -1.759) 4.193 3.706 ( 10.135 11.047 0.773) 15.012 5.418 ( 3.550 10.042 0.475) 10.662 5.697 ( -1.975 -3.207 0.140) 3.769 5.923 ( 0.648 -0.111 -0.295) 0.720 6.315 ( 0.133 -2.025 -2.535) 3.248 6.907 ( -11.811 -12.699 0.294) 17.345 7.680 ( 0.542 -2.305 0.369) 2.397======================= Grid point 894 (262/288) =======================q-point: ( 0.71 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.825 ( 3.530 8.948 0.830) 9.655 2.002 ( -2.024 8.326 2.720) 8.990 2.487 ( 2.861 2.430 -1.261) 3.960 2.591 ( 4.146 13.665 -0.073) 14.281 2.930 ( -0.076 0.437 -2.764) 2.800 3.955 ( 8.828 5.723 0.990) 10.567 5.545 ( -0.738 10.156 0.569) 10.199 5.667 ( 0.845 -1.075 0.512) 1.460 5.962 ( 3.417 0.782 -0.219) 3.512 6.280 ( -0.643 -2.091 -3.228) 3.900 6.605 ( -10.952 -7.585 0.943) 13.356 7.675 ( 2.407 -4.828 1.619) 5.632======================= Grid point 906 (263/288) =======================q-point: ( 0.50 0.50 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.594 ( -0.000 6.834 -0.980) 6.904 1.647 ( -0.000 7.963 -10.705) 13.342 1.925 ( 0.000 8.069 8.402) 11.649 2.189 ( -0.000 10.419 -8.894) 13.699 2.660 ( 0.000 13.922 7.828) 15.972 3.290 ( -0.000 13.456 0.890) 13.486 5.125 ( -0.000 6.874 0.828) 6.923 5.851 ( 0.000 -5.814 -0.562) 5.841 5.967 ( 0.000 -2.943 -0.345) 2.963 6.244 ( -0.000 7.031 -0.366) 7.040 7.303 ( 0.000 -18.017 6.268) 19.076 7.826 ( -0.000 1.218 -10.084) 10.158======================= Grid point 907 (264/288) =======================q-point: ( 0.57 0.50 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.592 ( -0.744 6.717 -5.495) 8.710 1.824 ( 10.995 3.706 -8.850) 14.592 2.053 ( 1.538 13.110 7.766) 15.315 2.284 ( 1.983 8.571 -3.186) 9.356 2.808 ( 1.257 8.590 3.473) 9.350 3.473 ( 3.116 16.582 2.253) 17.022 5.237 ( 4.681 7.344 0.585) 8.729 5.779 ( -1.826 -4.825 -0.819) 5.224 5.938 ( -0.600 -1.403 -0.302) 1.555 6.298 ( 0.598 1.525 1.182) 2.020 7.121 ( -1.794 -18.843 3.939) 19.334 7.776 ( -3.850 1.513 -7.298) 8.389======================= Grid point 908 (265/288) =======================q-point: ( 0.64 0.50 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.684 ( 4.029 7.872 -2.217) 9.116 1.977 ( 5.774 2.694 -3.251) 7.153 2.314 ( 9.302 15.678 2.813) 18.446 2.390 ( 2.552 6.202 -0.999) 6.780 2.887 ( 0.612 3.210 1.322) 3.525 3.706 ( 4.870 14.405 0.910) 15.233 5.419 ( 7.017 8.228 0.202) 10.816 5.701 ( -2.132 -3.122 -0.577) 3.825 5.922 ( -0.503 0.462 -0.203) 0.712 6.298 ( -0.640 -1.503 0.917) 1.874 6.902 ( -4.400 -16.438 1.235) 17.062 7.696 ( -4.085 -0.161 -2.973) 5.055======================= Grid point 909 (266/288) =======================q-point: ( 0.71 0.50 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.843 ( 4.871 8.437 -0.000) 9.743 2.074 ( 2.494 4.320 0.000) 4.989 2.472 ( 1.977 3.424 -0.000) 3.954 2.627 ( 7.266 12.584 -0.000) 14.531 2.928 ( 1.979 3.428 -0.000) 3.958 3.903 ( 4.769 8.260 -0.000) 9.537 5.605 ( 3.935 6.816 -0.000) 7.871 5.660 ( 0.444 0.768 -0.000) 0.887 5.931 ( 0.649 1.124 -0.000) 1.298 6.269 ( -0.809 -1.401 -0.000) 1.618 6.671 ( -6.475 -11.216 -0.000) 12.951 7.625 ( -1.709 -2.959 -0.000) 3.417======================= Grid point 922 (267/288) =======================q-point: ( 0.57 0.57 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.654 ( -0.000 4.273 -9.420) 10.344 1.708 ( -0.000 5.338 -7.535) 9.234 2.169 ( 0.000 10.812 5.365) 12.070 2.346 ( -0.000 7.860 -0.026) 7.860 2.891 ( 0.000 5.985 3.896) 7.141 3.629 ( -0.000 17.879 2.027) 17.994 5.257 ( -0.000 5.628 0.500) 5.650 5.749 ( 0.000 -3.654 -1.213) 3.850 5.936 ( -0.000 0.339 -0.247) 0.419 6.311 ( 0.000 -0.027 3.426) 3.426 6.956 ( 0.000 -19.085 2.106) 19.201 7.804 ( -0.000 1.421 -6.503) 6.657======================= Grid point 923 (268/288) =======================q-point: ( 0.64 0.57 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.683 ( 2.640 6.408 -4.708) 8.378 1.837 ( 9.138 3.135 -6.182) 11.469 2.332 ( 5.448 11.434 3.067) 13.032 2.424 ( 0.747 5.914 1.274) 6.096 2.931 ( -1.069 1.816 3.204) 3.835 3.811 ( 1.104 15.527 0.392) 15.571 5.362 ( 6.207 4.738 0.061) 7.809 5.705 ( -1.442 -1.817 -1.066) 2.553 5.945 ( -0.459 2.322 -0.092) 2.369 6.308 ( -0.991 -1.387 3.852) 4.212 6.773 ( -0.668 -17.213 0.146) 17.227 7.764 ( -3.843 0.758 -4.116) 5.682======================= Grid point 939 (269/288) =======================q-point: (-0.36 -0.36 -0.71)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.702 ( -0.000 6.108 -4.387) 7.520 1.776 ( -0.000 4.762 -2.232) 5.259 2.387 ( -0.000 8.744 1.605) 8.890 2.477 ( 0.000 4.625 2.158) 5.103 2.953 ( 0.000 -1.567 3.011) 3.394 3.948 ( -0.000 13.342 -1.038) 13.382 5.338 ( -0.000 2.438 0.024) 2.438 5.706 ( -0.000 0.220 -0.901) 0.928 5.979 ( -0.000 3.709 -0.079) 3.710 6.317 ( 0.000 -2.067 5.364) 5.749 6.614 ( 0.000 -14.722 -2.149) 14.878 7.793 ( -0.000 0.565 -3.263) 3.312======================= Grid point 1078 (270/288) =======================q-point: ( 0.36 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.032 ( 0.000 -0.000 16.262) 16.262 1.032 ( 0.000 -0.000 16.262) 16.262 1.785 ( 0.000 -0.000 30.901) 30.901 1.883 ( -0.000 0.000 -8.035) 8.035 1.883 ( -0.000 0.000 -8.035) 8.035 3.354 ( -0.000 0.000 -20.246) 20.246 4.902 ( 0.000 -0.000 0.136) 0.136 4.902 ( 0.000 -0.000 0.136) 0.136 6.123 ( 0.000 -0.000 0.051) 0.051 6.123 ( 0.000 -0.000 0.051) 0.051 7.664 ( 0.000 -0.000 3.270) 3.270 8.095 ( -0.000 0.000 -1.475) 1.475======================= Grid point 1079 (271/288) =======================q-point: ( 0.43 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.057 ( 2.138 1.234 16.315) 16.501 1.288 ( 11.079 6.396 16.587) 20.947 1.739 ( -2.502 -1.444 -4.786) 5.590 1.918 ( 3.153 1.821 -8.036) 8.823 2.070 ( 12.264 7.081 16.409) 21.675 3.182 ( -5.077 -2.931 -13.767) 14.963 4.936 ( 2.615 1.510 -0.221) 3.028 5.377 ( 32.120 18.545 -8.040) 37.951 6.083 ( -3.524 -2.035 -0.248) 4.077 6.095 ( -2.236 -1.291 0.161) 2.587 7.659 ( -1.340 -0.773 3.486) 3.814 8.012 ( -6.764 -3.905 -2.826) 8.306======================= Grid point 1080 (272/288) =======================q-point: ( 0.50 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.216 ( 7.149 4.128 13.917) 16.181 1.461 ( -1.748 -1.009 18.638) 18.746 1.834 ( 14.046 8.110 -12.052) 20.207 1.978 ( 4.378 2.528 -7.727) 9.234 2.436 ( 15.182 8.765 8.941) 19.679 3.131 ( 3.791 2.189 -7.668) 8.829 5.018 ( 4.676 2.700 -0.481) 5.421 5.967 ( -0.136 -0.078 -1.163) 1.173 6.001 ( 16.382 9.458 -6.710) 20.071 6.031 ( -3.300 -1.906 0.239) 3.819 7.633 ( -2.921 -1.687 7.820) 8.516 7.783 ( -10.854 -6.267 -7.806) 14.765======================= Grid point 1081 (273/288) =======================q-point: ( 0.57 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.440 ( 8.577 4.952 10.443) 14.393 1.478 ( 0.793 0.458 10.762) 10.801 2.072 ( 6.093 3.518 -6.699) 9.715 2.136 ( 12.656 7.307 -3.642) 15.061 2.753 ( 10.914 6.301 -0.999) 12.642 3.309 ( 12.757 7.365 -1.486) 14.805 5.138 ( 5.806 3.352 -0.486) 6.722 5.842 ( -5.556 -3.208 0.203) 6.419 5.961 ( -2.513 -1.451 0.232) 2.911 6.297 ( 7.349 4.243 -5.564) 10.148 7.385 ( -17.452 -10.076 -0.213) 20.152 7.693 ( 1.748 1.009 1.514) 2.523======================= Grid point 1082 (274/288) =======================q-point: ( 0.64 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.570 ( 4.317 2.492 8.018) 9.441 1.643 ( 6.665 3.848 6.213) 9.891 2.215 ( 7.905 4.564 -4.335) 10.105 2.355 ( 7.578 4.375 -1.979) 8.971 2.924 ( 4.893 2.825 -3.086) 6.437 3.639 ( 15.063 8.697 -0.097) 17.394 5.261 ( 4.718 2.724 -0.260) 5.454 5.739 ( -3.297 -1.904 0.755) 3.881 5.934 ( 0.355 0.205 0.140) 0.433 6.351 ( 0.247 0.143 -4.902) 4.911 6.972 ( -17.810 -10.283 -1.199) 20.601 7.753 ( 1.980 1.143 4.252) 4.828======================= Grid point 1094 (275/288) =======================q-point: ( 0.43 0.43 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.196 ( 0.000 9.639 17.066) 19.600 1.254 ( 0.000 9.046 6.865) 11.356 1.810 ( -0.000 -0.457 -4.604) 4.626 1.841 ( -0.000 2.974 -6.667) 7.300 2.097 ( 0.000 10.185 16.925) 19.753 3.141 ( -0.000 -4.869 -12.958) 13.842 4.924 ( -0.000 2.485 0.498) 2.535 5.358 ( -0.000 35.460 -6.278) 36.011 6.079 ( 0.000 -4.086 -0.068) 4.087 6.100 ( 0.000 -2.376 -0.116) 2.379 7.666 ( 0.000 -1.866 3.104) 3.622 8.010 ( 0.000 -7.101 -2.807) 7.635======================= Grid point 1095 (276/288) =======================q-point: ( 0.50 0.43 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.275 ( -0.987 9.354 10.634) 14.197 1.533 ( 9.124 7.523 13.990) 18.318 1.719 ( -2.460 5.024 -8.773) 10.405 1.930 ( 4.305 5.870 -10.075) 12.429 2.341 ( 9.531 10.770 11.244) 18.256 3.087 ( 1.103 1.973 -7.585) 7.915 4.985 ( 2.991 4.047 0.119) 5.034 5.819 ( 14.928 24.741 -5.114) 29.344 6.006 ( -2.913 -4.960 -0.480) 5.772 6.054 ( -1.944 -2.934 -0.029) 3.520 7.648 ( -0.407 -3.532 5.423) 6.485 7.856 ( -7.218 -8.401 -5.941) 12.568======================= Grid point 1096 (277/288) =======================q-point: ( 0.57 0.43 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.407 ( 3.513 5.725 6.808) 9.564 1.629 ( -4.537 10.572 11.259) 16.097 1.911 ( 12.967 4.003 -5.134) 14.510 2.064 ( 6.219 10.283 -6.101) 13.477 2.635 ( 10.215 8.362 0.948) 13.235 3.201 ( 8.150 8.433 -2.003) 11.897 5.099 ( 4.421 6.049 -0.250) 7.497 5.887 ( -4.363 -5.097 0.076) 6.710 5.986 ( -2.415 -2.575 0.135) 3.533 6.195 ( 9.388 9.527 -3.694) 13.876 7.526 ( -11.248 -13.641 2.454) 17.850 7.683 ( -0.501 0.736 -2.120) 2.299======================= Grid point 1097 (278/288) =======================q-point: ( 0.64 0.43 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.541 ( 4.596 4.413 5.248) 8.255 1.734 ( -2.054 12.670 10.213) 16.403 2.119 ( 9.166 6.758 -6.163) 12.949 2.273 ( 7.523 6.955 -0.900) 10.285 2.840 ( 7.070 4.157 -2.978) 8.725 3.487 ( 13.229 10.853 -0.677) 17.124 5.241 ( 4.027 7.517 -0.268) 8.532 5.772 ( -3.586 -3.975 0.587) 5.386 5.936 ( -0.930 -1.153 0.142) 1.488 6.320 ( 2.012 0.904 -3.456) 4.100 7.151 ( -16.047 -12.107 -2.051) 20.206 7.721 ( 2.928 -1.031 4.219) 5.238======================= Grid point 1110 (279/288) =======================q-point: ( 0.50 0.50 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.438 ( -0.000 9.266 -7.267) 11.776 1.488 ( 0.000 6.377 12.768) 14.272 1.838 ( 0.000 3.719 5.092) 6.306 1.902 ( -0.000 12.399 -16.069) 20.296 2.419 ( 0.000 13.165 11.309) 17.355 3.092 ( -0.000 5.741 -4.348) 7.201 5.005 ( -0.000 5.290 0.796) 5.349 5.937 ( -0.000 19.747 -0.541) 19.754 5.979 ( -0.000 -1.747 -1.938) 2.609 6.036 ( 0.000 -3.748 -0.289) 3.760 7.614 ( 0.000 -8.488 7.348) 11.226 7.818 ( -0.000 -6.313 -9.005) 10.997======================= Grid point 1111 (280/288) =======================q-point: ( 0.57 0.50 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.453 ( -0.816 6.105 -2.336) 6.588 1.701 ( 12.492 5.332 -4.428) 14.286 1.860 ( -3.968 9.726 6.403) 12.302 2.057 ( 4.928 12.170 -5.621) 14.283 2.616 ( 4.206 11.615 4.910) 13.293 3.194 ( 3.477 11.362 -0.598) 11.897 5.096 ( 3.379 6.774 0.480) 7.585 5.889 ( -2.325 -6.154 -0.196) 6.582 5.988 ( -1.166 -3.335 -0.190) 3.538 6.178 ( 4.423 12.261 -0.055) 13.035 7.499 ( -2.746 -16.945 6.538) 18.369 7.720 ( -3.376 1.008 -8.131) 8.861======================= Grid point 1112 (281/288) =======================q-point: ( 0.64 0.50 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.535 ( 3.666 6.349 -0.000) 7.332 1.906 ( 2.571 4.453 -0.000) 5.141 2.004 ( 8.664 15.006 -0.000) 17.328 2.242 ( 5.107 8.846 -0.000) 10.214 2.787 ( 4.031 6.983 -0.000) 8.063 3.422 ( 8.028 13.905 -0.000) 16.057 5.247 ( 5.037 8.724 -0.000) 10.074 5.784 ( -2.969 -5.143 -0.000) 5.938 5.939 ( -1.128 -1.954 -0.000) 2.256 6.298 ( 1.406 2.435 -0.000) 2.812 7.233 ( -9.371 -16.231 -0.000) 18.742 7.689 ( -0.015 -0.026 -0.000) 0.030======================= Grid point 1126 (282/288) =======================q-point: ( 0.57 0.57 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.542 ( -0.000 8.248 -11.243) 13.944 1.561 ( -0.000 1.803 -6.347) 6.598 2.003 ( 0.000 7.937 7.935) 11.223 2.130 ( -0.000 14.149 -2.886) 14.440 2.723 ( 0.000 11.781 5.181) 12.871 3.298 ( -0.000 15.266 0.964) 15.297 5.132 ( -0.000 6.806 0.731) 6.845 5.846 ( 0.000 -6.165 -0.558) 6.190 5.964 ( 0.000 -2.936 -0.323) 2.954 6.256 ( -0.000 8.201 2.900) 8.698 7.357 ( 0.000 -19.737 4.995) 20.359 7.740 ( -0.000 2.254 -7.740) 8.061======================= Grid point 1300 (283/288) =======================q-point: ( 0.43 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.158 ( 0.000 -0.000 10.107) 10.107 1.158 ( 0.000 -0.000 10.107) 10.107 1.815 ( -0.000 0.000 -5.949) 5.949 1.815 ( -0.000 0.000 -5.949) 5.949 2.034 ( 0.000 -0.000 20.712) 20.712 3.179 ( -0.000 0.000 -15.442) 15.442 4.903 ( 0.000 -0.000 0.076) 0.076 4.903 ( 0.000 -0.000 0.076) 0.076 6.123 ( 0.000 -0.000 0.028) 0.028 6.123 ( 0.000 -0.000 0.028) 0.028 7.689 ( 0.000 -0.000 1.899) 1.899 8.083 ( -0.000 0.000 -0.918) 0.918======================= Grid point 1301 (284/288) =======================q-point: ( 0.50 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.193 ( 2.647 1.528 12.038) 12.420 1.391 ( 14.699 8.486 3.114) 17.256 1.701 ( -6.512 -3.760 -0.050) 7.519 1.845 ( 2.862 1.652 -7.056) 7.792 2.207 ( 9.503 5.487 10.015) 14.857 3.070 ( -2.826 -1.632 -8.465) 9.072 4.933 ( 2.477 1.430 -0.398) 2.888 5.327 ( 30.003 17.323 -2.826) 34.760 6.081 ( -3.633 -2.097 -0.185) 4.199 6.097 ( -2.187 -1.263 0.182) 2.532 7.683 ( -0.782 -0.451 1.574) 1.814 7.993 ( -7.668 -4.427 -1.167) 8.930======================= Grid point 1302 (285/288) =======================q-point: ( 0.57 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.341 ( 6.615 3.819 12.407) 14.570 1.571 ( -3.469 -2.003 -0.236) 4.013 1.779 ( 16.722 9.654 5.315) 20.027 1.903 ( 4.428 2.556 -7.952) 9.454 2.478 ( 12.121 6.998 -0.713) 14.014 3.080 ( 5.595 3.230 -2.302) 6.858 5.012 ( 4.640 2.679 -0.710) 5.405 5.945 ( 21.622 12.484 -2.391) 25.081 5.972 ( -5.290 -3.054 -0.348) 6.118 6.033 ( -3.283 -1.895 0.295) 3.802 7.673 ( -1.367 -0.789 -3.029) 3.416 7.746 ( -12.143 -7.011 3.912) 14.557======================= Grid point 1316 (286/288) =======================q-point: ( 0.50 0.50 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.270 ( -0.000 5.556 -3.664) 6.655 1.338 ( 0.000 12.671 12.168) 17.567 1.755 ( -0.000 -2.048 -9.585) 9.801 1.797 ( 0.000 1.677 2.261) 2.816 2.223 ( 0.000 9.109 7.114) 11.558 3.050 ( -0.000 -2.694 -4.677) 5.397 4.928 ( -0.000 2.669 0.497) 2.715 5.322 ( -0.000 34.099 -1.617) 34.138 6.079 ( 0.000 -4.209 0.074) 4.210 6.099 ( 0.000 -2.452 -0.165) 2.457 7.686 ( 0.000 -1.014 0.979) 1.409 7.992 ( 0.000 -8.614 -0.992) 8.671======================= Grid point 1317 (287/288) =======================q-point: ( 0.57 0.50 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.333 ( 3.090 5.353 -0.000) 6.181 1.606 ( 7.971 13.807 -0.000) 15.943 1.676 ( -0.405 -0.702 0.000) 0.811 1.869 ( 3.138 5.436 0.000) 6.277 2.398 ( 6.315 10.939 -0.000) 12.631 3.048 ( 1.843 3.193 -0.000) 3.687 4.986 ( 2.509 4.346 -0.000) 5.019 5.795 ( 14.725 25.505 -0.000) 29.450 6.004 ( -3.029 -5.247 -0.000) 6.059 6.054 ( -1.770 -3.066 -0.000) 3.541 7.678 ( -0.187 -0.323 -0.000) 0.373 7.823 ( -7.028 -12.173 0.000) 14.056======================= Grid point 1527 (288/288) =======================q-point: (-0.50 -0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.208 ( 0.000 -0.000 0.000) 0.000 1.208 ( 0.000 -0.000 0.000) 0.000 1.785 ( 0.000 -0.000 0.000) 0.000 1.785 ( 0.000 -0.000 0.000) 0.000 2.139 ( 0.000 -0.000 0.000) 0.000 3.099 ( 0.000 -0.000 0.000) 0.000 4.903 ( 0.000 -0.000 0.000) 0.000 4.903 ( 0.000 -0.000 0.000) 0.000 6.123 ( 0.000 -0.000 0.000) 0.000 6.123 ( 0.000 -0.000 0.000) 0.000 7.698 ( 0.000 -0.000 0.000) 0.000 8.079 ( 0.000 -0.000 0.000) 0.000=================== End of collection of collisions ===================----------- Thermal conductivity (W/m-k) with tetrahedron method -----------# T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/32928 10.0 678.406 678.406 1470.932 -0.000 0.000 -0.000 3/32928 20.0 139.338 139.338 135.058 -0.000 -0.000 0.000 3/32928 30.0 69.103 69.103 51.990 -0.000 -0.000 -0.000 3/32928 40.0 45.183 45.183 30.330 -0.000 -0.000 -0.000 3/32928 50.0 32.523 32.523 20.800 -0.000 -0.000 -0.000 3/32928 60.0 24.864 24.864 15.572 -0.000 -0.000 -0.000 3/32928 70.0 19.909 19.909 12.349 -0.000 -0.000 -0.000 3/32928 80.0 16.527 16.527 10.202 -0.000 -0.000 -0.000 3/32928 90.0 14.107 14.107 8.684 -0.000 -0.000 -0.000 3/32928 100.0 12.304 12.304 7.562 -0.000 -0.000 -0.000 3/32928 110.0 10.916 10.916 6.701 -0.000 -0.000 -0.000 3/32928 120.0 9.815 9.815 6.020 -0.000 -0.000 -0.000 3/32928 130.0 8.922 8.922 5.469 -0.000 -0.000 -0.000 3/32928 140.0 8.183 8.183 5.013 -0.000 -0.000 -0.000 3/32928 150.0 7.560 7.560 4.630 -0.000 -0.000 -0.000 3/32928 160.0 7.029 7.029 4.303 -0.000 -0.000 -0.000 3/32928 170.0 6.570 6.570 4.020 -0.000 -0.000 -0.000 3/32928 180.0 6.169 6.169 3.774 -0.000 -0.000 -0.000 3/32928 190.0 5.816 5.816 3.557 -0.000 -0.000 -0.000 3/32928 200.0 5.502 5.502 3.364 -0.000 -0.000 -0.000 3/32928 210.0 5.221 5.221 3.192 -0.000 -0.000 -0.000 3/32928 220.0 4.969 4.969 3.037 -0.000 -0.000 -0.000 3/32928 230.0 4.740 4.740 2.897 -0.000 -0.000 -0.000 3/32928 240.0 4.532 4.532 2.769 -0.000 -0.000 -0.000 3/32928 250.0 4.342 4.342 2.652 -0.000 -0.000 -0.000 3/32928 260.0 4.167 4.167 2.545 -0.000 -0.000 -0.000 3/32928 270.0 4.006 4.006 2.447 -0.000 -0.000 -0.000 3/32928 280.0 3.858 3.858 2.356 -0.000 -0.000 -0.000 3/32928 290.0 3.720 3.720 2.272 -0.000 -0.000 -0.000 3/32928 300.0 3.592 3.592 2.193 -0.000 -0.000 -0.000 3/32928 310.0 3.473 3.473 2.120 -0.000 -0.000 -0.000 3/32928 320.0 3.361 3.361 2.052 -0.000 -0.000 -0.000 3/32928 330.0 3.257 3.257 1.988 -0.000 -0.000 -0.000 3/32928 340.0 3.158 3.158 1.928 -0.000 -0.000 -0.000 3/32928 350.0 3.066 3.066 1.871 -0.000 -0.000 -0.000 3/32928 360.0 2.979 2.979 1.818 -0.000 -0.000 -0.000 3/32928 370.0 2.897 2.897 1.768 -0.000 -0.000 -0.000 3/32928 380.0 2.819 2.819 1.720 -0.000 -0.000 -0.000 3/32928 390.0 2.746 2.746 1.675 -0.000 -0.000 -0.000 3/32928 400.0 2.676 2.676 1.633 -0.000 -0.000 -0.000 3/32928 410.0 2.610 2.610 1.592 -0.000 -0.000 -0.000 3/32928 420.0 2.547 2.547 1.553 -0.000 -0.000 -0.000 3/32928 430.0 2.487 2.487 1.517 -0.000 -0.000 -0.000 3/32928 440.0 2.429 2.429 1.482 -0.000 -0.000 -0.000 3/32928 450.0 2.375 2.375 1.448 -0.000 -0.000 -0.000 3/32928 460.0 2.322 2.322 1.416 -0.000 -0.000 -0.000 3/32928 470.0 2.273 2.273 1.386 -0.000 -0.000 -0.000 3/32928 480.0 2.225 2.225 1.357 -0.000 -0.000 -0.000 3/32928 490.0 2.179 2.179 1.329 -0.000 -0.000 -0.000 3/32928 500.0 2.135 2.135 1.302 -0.000 -0.000 -0.000 3/32928 510.0 2.093 2.093 1.276 -0.000 -0.000 -0.000 3/32928 520.0 2.052 2.052 1.251 -0.000 -0.000 -0.000 3/32928 530.0 2.013 2.013 1.227 -0.000 -0.000 -0.000 3/32928 540.0 1.975 1.975 1.204 -0.000 -0.000 -0.000 3/32928 550.0 1.939 1.939 1.182 -0.000 -0.000 -0.000 3/32928 560.0 1.904 1.904 1.161 -0.000 -0.000 -0.000 3/32928 570.0 1.871 1.871 1.141 -0.000 -0.000 -0.000 3/32928 580.0 1.838 1.838 1.121 -0.000 -0.000 -0.000 3/32928 590.0 1.807 1.807 1.102 -0.000 -0.000 -0.000 3/32928 600.0 1.777 1.777 1.083 -0.000 -0.000 -0.000 3/32928 610.0 1.747 1.747 1.065 -0.000 -0.000 -0.000 3/32928 620.0 1.719 1.719 1.048 -0.000 -0.000 -0.000 3/32928 630.0 1.692 1.692 1.031 -0.000 -0.000 -0.000 3/32928 640.0 1.665 1.665 1.015 -0.000 -0.000 -0.000 3/32928 650.0 1.639 1.639 0.999 -0.000 -0.000 -0.000 3/32928 660.0 1.614 1.614 0.984 -0.000 -0.000 -0.000 3/32928 670.0 1.590 1.590 0.969 -0.000 -0.000 -0.000 3/32928 680.0 1.567 1.567 0.955 -0.000 -0.000 -0.000 3/32928 690.0 1.544 1.544 0.941 -0.000 -0.000 -0.000 3/32928 700.0 1.522 1.522 0.928 -0.000 -0.000 -0.000 3/32928 710.0 1.500 1.500 0.914 -0.000 -0.000 -0.000 3/32928 720.0 1.479 1.479 0.902 -0.000 -0.000 -0.000 3/32928 730.0 1.459 1.459 0.889 -0.000 -0.000 -0.000 3/32928 740.0 1.439 1.439 0.877 -0.000 -0.000 -0.000 3/32928 750.0 1.420 1.420 0.865 -0.000 -0.000 -0.000 3/32928 760.0 1.401 1.401 0.854 -0.000 -0.000 -0.000 3/32928 770.0 1.383 1.383 0.843 -0.000 -0.000 -0.000 3/32928 780.0 1.365 1.365 0.832 -0.000 -0.000 -0.000 3/32928 790.0 1.348 1.348 0.821 -0.000 -0.000 -0.000 3/32928 800.0 1.331 1.331 0.811 -0.000 -0.000 -0.000 3/32928 810.0 1.315 1.315 0.801 -0.000 -0.000 -0.000 3/32928 820.0 1.298 1.298 0.791 -0.000 -0.000 -0.000 3/32928 830.0 1.283 1.283 0.782 -0.000 -0.000 -0.000 3/32928 840.0 1.268 1.268 0.772 -0.000 -0.000 -0.000 3/32928 850.0 1.253 1.253 0.763 -0.000 -0.000 -0.000 3/32928 860.0 1.238 1.238 0.754 -0.000 -0.000 -0.000 3/32928 870.0 1.224 1.224 0.746 -0.000 -0.000 -0.000 3/32928 880.0 1.210 1.210 0.737 -0.000 -0.000 -0.000 3/32928 890.0 1.196 1.196 0.729 -0.000 -0.000 -0.000 3/32928 900.0 1.183 1.183 0.721 -0.000 -0.000 -0.000 3/32928 910.0 1.170 1.170 0.713 -0.000 -0.000 -0.000 3/32928 920.0 1.157 1.157 0.705 -0.000 -0.000 -0.000 3/32928 930.0 1.145 1.145 0.697 -0.000 -0.000 -0.000 3/32928 940.0 1.132 1.132 0.690 -0.000 -0.000 -0.000 3/32928 950.0 1.121 1.121 0.683 -0.000 -0.000 -0.000 3/32928 960.0 1.109 1.109 0.676 -0.000 -0.000 -0.000 3/32928 970.0 1.097 1.097 0.669 -0.000 -0.000 -0.000 3/32928 980.0 1.086 1.086 0.662 -0.000 -0.000 -0.000 3/32928 990.0 1.075 1.075 0.655 -0.000 -0.000 -0.000 3/32928 1000.0 1.064 1.064 0.649 -0.000 -0.000 -0.000 3/32928Thermal conductivity related properties were written into "kappa-m141414.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 23:18:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|