# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/19a8beb4-a0a3-499b-a75f-358a134f26b0/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 U(BiO3)2 / P-3m1 (164) / materials id 27775](https://mdr.nims.go.jp/datasets/a76526d8-b686-424f-9dc8-e7136935e819) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 06:31:49]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [3 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P-3m1 (164)Number of symmetry operations in supercell: 108------------------------------ primitive cell ------------------------------Lattice vectors: a 3.875546933441568 0.000000000000000 0.000000000000000 b -1.937773466720784 3.356322097919276 0.000000000000000 c 0.000000000000000 0.000000000000000 9.464085430000001Atomic positions (fractional): *1 O 0.00000000000000 0.00000000000000 0.78929190449817 15.999 2 O 0.00000000000000 0.00000000000000 0.21070809550183 15.999 *3 O 0.66666666666667 0.33333333333333 0.41519888082583 15.999 *4 O 0.33333333333333 0.66666666666667 0.05325606749231 15.999 5 O 0.66666666666667 0.33333333333333 0.94674393250769 15.999 6 O 0.33333333333333 0.66666666666667 0.58480111917417 15.999 *7 Bi 0.66666666666667 0.33333333333333 0.66038251423071 208.980 8 Bi 0.33333333333333 0.66666666666667 0.33961748576929 208.980 *9 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029-------------------------------- unit cell ---------------------------------Lattice vectors: a 3.875546933441568 0.000000000000000 0.000000000000000 b -1.937773466720784 3.356322097919276 0.000000000000000 c 0.000000000000000 0.000000000000000 9.464085430000001Atomic positions (fractional): *1 O 0.00000000000000 0.00000000000000 0.78929190449817 15.999 > 1 2 O 0.00000000000000 0.00000000000000 0.21070809550183 15.999 > 2 *3 O 0.66666666666667 0.33333333333333 0.41519888082583 15.999 > 3 *4 O 0.33333333333333 0.66666666666667 0.05325606749231 15.999 > 4 5 O 0.66666666666667 0.33333333333333 0.94674393250769 15.999 > 5 6 O 0.33333333333333 0.66666666666667 0.58480111917417 15.999 > 6 *7 Bi 0.66666666666667 0.33333333333333 0.66038251423071 208.980 > 7 8 Bi 0.33333333333333 0.66666666666667 0.33961748576929 208.980 > 8 *9 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 > 9-------------------------------- super cell --------------------------------Lattice vectors: a 11.626640800324704 0.000000000000000 0.000000000000000 b -5.813320400162352 10.068966293757828 0.000000000000000 c 0.000000000000000 0.000000000000000 9.464085430000001Atomic positions (fractional): *1 O 0.00000000000000 0.00000000000000 0.78929190449817 15.999 > 1 2 O 0.33333333333333 0.00000000000000 0.78929190449817 15.999 > 1 3 O 0.66666666666667 0.00000000000000 0.78929190449817 15.999 > 1 4 O 0.00000000000000 0.33333333333333 0.78929190449817 15.999 > 1 5 O 0.33333333333333 0.33333333333333 0.78929190449817 15.999 > 1 6 O 0.66666666666667 0.33333333333333 0.78929190449817 15.999 > 1 7 O 0.00000000000000 0.66666666666667 0.78929190449817 15.999 > 1 8 O 0.33333333333333 0.66666666666667 0.78929190449817 15.999 > 1 9 O 0.66666666666667 0.66666666666667 0.78929190449817 15.999 > 1 10 O 0.00000000000000 0.00000000000000 0.21070809550183 15.999 > 2 11 O 0.33333333333333 0.00000000000000 0.21070809550183 15.999 > 2 12 O 0.66666666666667 0.00000000000000 0.21070809550183 15.999 > 2 13 O 0.00000000000000 0.33333333333333 0.21070809550183 15.999 > 2 14 O 0.33333333333333 0.33333333333333 0.21070809550183 15.999 > 2 15 O 0.66666666666667 0.33333333333333 0.21070809550183 15.999 > 2 16 O 0.00000000000000 0.66666666666667 0.21070809550183 15.999 > 2 17 O 0.33333333333333 0.66666666666667 0.21070809550183 15.999 > 2 18 O 0.66666666666667 0.66666666666667 0.21070809550183 15.999 > 2 *19 O 0.22222222222222 0.11111111111111 0.41519888082583 15.999 > 3 20 O 0.55555555555556 0.11111111111111 0.41519888082583 15.999 > 3 21 O 0.88888888888889 0.11111111111111 0.41519888082583 15.999 > 3 22 O 0.22222222222222 0.44444444444444 0.41519888082583 15.999 > 3 23 O 0.55555555555556 0.44444444444444 0.41519888082583 15.999 > 3 24 O 0.88888888888889 0.44444444444444 0.41519888082583 15.999 > 3 25 O 0.22222222222222 0.77777777777778 0.41519888082583 15.999 > 3 26 O 0.55555555555556 0.77777777777778 0.41519888082583 15.999 > 3 27 O 0.88888888888889 0.77777777777778 0.41519888082583 15.999 > 3 *28 O 0.11111111111111 0.22222222222222 0.05325606749231 15.999 > 4 29 O 0.44444444444444 0.22222222222222 0.05325606749231 15.999 > 4 30 O 0.77777777777778 0.22222222222222 0.05325606749231 15.999 > 4 31 O 0.11111111111111 0.55555555555556 0.05325606749231 15.999 > 4 32 O 0.44444444444444 0.55555555555556 0.05325606749231 15.999 > 4 33 O 0.77777777777778 0.55555555555556 0.05325606749231 15.999 > 4 34 O 0.11111111111111 0.88888888888889 0.05325606749231 15.999 > 4 35 O 0.44444444444444 0.88888888888889 0.05325606749231 15.999 > 4 36 O 0.77777777777778 0.88888888888889 0.05325606749231 15.999 > 4 37 O 0.22222222222222 0.11111111111111 0.94674393250769 15.999 > 5 38 O 0.55555555555556 0.11111111111111 0.94674393250769 15.999 > 5 39 O 0.88888888888889 0.11111111111111 0.94674393250769 15.999 > 5 40 O 0.22222222222222 0.44444444444444 0.94674393250769 15.999 > 5 41 O 0.55555555555556 0.44444444444444 0.94674393250769 15.999 > 5 42 O 0.88888888888889 0.44444444444444 0.94674393250769 15.999 > 5 43 O 0.22222222222222 0.77777777777778 0.94674393250769 15.999 > 5 44 O 0.55555555555556 0.77777777777778 0.94674393250769 15.999 > 5 45 O 0.88888888888889 0.77777777777778 0.94674393250769 15.999 > 5 46 O 0.11111111111111 0.22222222222222 0.58480111917417 15.999 > 6 47 O 0.44444444444444 0.22222222222222 0.58480111917417 15.999 > 6 48 O 0.77777777777778 0.22222222222222 0.58480111917417 15.999 > 6 49 O 0.11111111111111 0.55555555555556 0.58480111917417 15.999 > 6 50 O 0.44444444444444 0.55555555555556 0.58480111917417 15.999 > 6 51 O 0.77777777777778 0.55555555555556 0.58480111917417 15.999 > 6 52 O 0.11111111111111 0.88888888888889 0.58480111917417 15.999 > 6 53 O 0.44444444444444 0.88888888888889 0.58480111917417 15.999 > 6 54 O 0.77777777777778 0.88888888888889 0.58480111917417 15.999 > 6 *55 Bi 0.22222222222222 0.11111111111111 0.66038251423071 208.980 > 7 56 Bi 0.55555555555556 0.11111111111111 0.66038251423071 208.980 > 7 57 Bi 0.88888888888889 0.11111111111111 0.66038251423071 208.980 > 7 58 Bi 0.22222222222222 0.44444444444444 0.66038251423071 208.980 > 7 59 Bi 0.55555555555556 0.44444444444444 0.66038251423071 208.980 > 7 60 Bi 0.88888888888889 0.44444444444444 0.66038251423071 208.980 > 7 61 Bi 0.22222222222222 0.77777777777778 0.66038251423071 208.980 > 7 62 Bi 0.55555555555556 0.77777777777778 0.66038251423071 208.980 > 7 63 Bi 0.88888888888889 0.77777777777778 0.66038251423071 208.980 > 7 64 Bi 0.11111111111111 0.22222222222222 0.33961748576929 208.980 > 8 65 Bi 0.44444444444444 0.22222222222222 0.33961748576929 208.980 > 8 66 Bi 0.77777777777778 0.22222222222222 0.33961748576929 208.980 > 8 67 Bi 0.11111111111111 0.55555555555556 0.33961748576929 208.980 > 8 68 Bi 0.44444444444444 0.55555555555556 0.33961748576929 208.980 > 8 69 Bi 0.77777777777778 0.55555555555556 0.33961748576929 208.980 > 8 70 Bi 0.11111111111111 0.88888888888889 0.33961748576929 208.980 > 8 71 Bi 0.44444444444444 0.88888888888889 0.33961748576929 208.980 > 8 72 Bi 0.77777777777778 0.88888888888889 0.33961748576929 208.980 > 8 *73 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 > 9 74 U 0.33333333333333 0.00000000000000 0.00000000000000 238.029 > 9 75 U 0.66666666666667 0.00000000000000 0.00000000000000 238.029 > 9 76 U 0.00000000000000 0.33333333333333 0.00000000000000 238.029 > 9 77 U 0.33333333333333 0.33333333333333 0.00000000000000 238.029 > 9 78 U 0.66666666666667 0.33333333333333 0.00000000000000 238.029 > 9 79 U 0.00000000000000 0.66666666666667 0.00000000000000 238.029 > 9 80 U 0.33333333333333 0.66666666666667 0.00000000000000 238.029 > 9 81 U 0.66666666666667 0.66666666666667 0.00000000000000 238.029 > 9----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 7.8498214 0.0000000 0.0000000 0.0000000 7.8498214 0.0000000 0.0000000 0.0000000 7.7531293-------------------------- Born effective charges -------------------------- 1 O -1.9271834 -0.0000000 0.0000000 0.0000000 -1.9271834 0.0000000 0.0000000 0.0000000 -4.5146090 2 O -1.9271834 -0.0000000 0.0000000 0.0000000 -1.9271834 0.0000000 0.0000000 0.0000000 -4.5146090 3 O -2.8961512 -0.0000000 0.0000000 0.0000000 -2.8961512 0.0000000 0.0000000 0.0000000 -3.3677779 4 O -3.6857156 -0.0000000 0.0000000 0.0000000 -3.6857156 0.0000000 0.0000000 0.0000000 -1.2119618 5 O -3.6857156 -0.0000000 0.0000000 0.0000000 -3.6857156 0.0000000 0.0000000 0.0000000 -1.2119618 6 O -2.8961512 -0.0000000 0.0000000 0.0000000 -2.8961512 0.0000000 0.0000000 0.0000000 -3.3677779 7 Bi 4.6746216 0.0000000 0.0000000 0.0000000 4.6746216 0.0000000 0.0000000 0.0000000 5.6389601 8 Bi 4.6746216 0.0000000 0.0000000 0.0000000 4.6746216 0.0000000 0.0000000 0.0000000 5.6389601 9 U 7.6688573 0.0000000 0.0000000 0.0000000 7.6688573 0.0000000 0.0000000 0.0000000 6.9107772----------------------------------------------------------------------------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: 243/243Permutation basis: 3591/3591Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 336Number of blocks in projector: 257Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 148Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 108Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 80Use standard eigh solver.Tree of FC basis block matrices:- (336, 326), data: False|-- (80, 75), data: True|-- (108, 108), data: True|-- (148, 143), data: True-----Solver_atoms: 1 -- 81 / 81Time (Solver_compr_matrix_reshape): 0.004Solver_block: 100 / 160 - Time: 0.169Solver_block: 160 / 160 - Time: 0.118Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.294--------------------------------- Symfc end --------------------------------Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 243/243Permutation basis: 3591/3591Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 336Number of blocks in projector: 257Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 148Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 108Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 80Use standard eigh solver.Tree of FC basis block matrices:- (336, 326), data: False|-- (80, 75), data: True|-- (108, 108), data: True|-- (148, 143), data: TrueMax drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-08 06:31:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 06:31:55]-------------------------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: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P-3m1 (164)------------------------------ primitive cell ------------------------------Lattice vectors: a 3.875546933441568 0.000000000000000 0.000000000000000 b -1.937773466720784 3.356322097919276 0.000000000000000 c 0.000000000000000 0.000000000000000 9.464085430000001Atomic positions (fractional): 1 O 0.00000000000000 0.00000000000000 0.78929190449817 15.999 2 O 0.00000000000000 0.00000000000000 0.21070809550183 15.999 3 O 0.66666666666667 0.33333333333333 0.41519888082583 15.999 4 O 0.33333333333333 0.66666666666667 0.05325606749231 15.999 5 O 0.66666666666667 0.33333333333333 0.94674393250769 15.999 6 O 0.33333333333333 0.66666666666667 0.58480111917417 15.999 7 Bi 0.66666666666667 0.33333333333333 0.66038251423071 208.980 8 Bi 0.33333333333333 0.66666666666667 0.33961748576929 208.980 9 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029-------------------------------- supercell ---------------------------------Lattice vectors: a 11.626640800324704 0.000000000000000 0.000000000000000 b -5.813320400162352 10.068966293757828 0.000000000000000 c 0.000000000000000 0.000000000000000 9.464085430000001Atomic positions (fractional): 1 O 0.00000000000000 0.00000000000000 0.78929190449817 15.999 > 1 2 O 0.33333333333333 0.00000000000000 0.78929190449817 15.999 > 1 3 O 0.66666666666667 0.00000000000000 0.78929190449817 15.999 > 1 4 O 0.00000000000000 0.33333333333333 0.78929190449817 15.999 > 1 5 O 0.33333333333333 0.33333333333333 0.78929190449817 15.999 > 1 6 O 0.66666666666667 0.33333333333333 0.78929190449817 15.999 > 1 7 O 0.00000000000000 0.66666666666667 0.78929190449817 15.999 > 1 8 O 0.33333333333333 0.66666666666667 0.78929190449817 15.999 > 1 9 O 0.66666666666667 0.66666666666667 0.78929190449817 15.999 > 1 10 O 0.00000000000000 0.00000000000000 0.21070809550183 15.999 > 10 11 O 0.33333333333333 0.00000000000000 0.21070809550183 15.999 > 10 12 O 0.66666666666667 0.00000000000000 0.21070809550183 15.999 > 10 13 O 0.00000000000000 0.33333333333333 0.21070809550183 15.999 > 10 14 O 0.33333333333333 0.33333333333333 0.21070809550183 15.999 > 10 15 O 0.66666666666667 0.33333333333333 0.21070809550183 15.999 > 10 16 O 0.00000000000000 0.66666666666667 0.21070809550183 15.999 > 10 17 O 0.33333333333333 0.66666666666667 0.21070809550183 15.999 > 10 18 O 0.66666666666667 0.66666666666667 0.21070809550183 15.999 > 10 19 O 0.22222222222222 0.11111111111111 0.41519888082583 15.999 > 19 20 O 0.55555555555556 0.11111111111111 0.41519888082583 15.999 > 19 21 O 0.88888888888889 0.11111111111111 0.41519888082583 15.999 > 19 22 O 0.22222222222222 0.44444444444444 0.41519888082583 15.999 > 19 23 O 0.55555555555556 0.44444444444444 0.41519888082583 15.999 > 19 24 O 0.88888888888889 0.44444444444444 0.41519888082583 15.999 > 19 25 O 0.22222222222222 0.77777777777778 0.41519888082583 15.999 > 19 26 O 0.55555555555556 0.77777777777778 0.41519888082583 15.999 > 19 27 O 0.88888888888889 0.77777777777778 0.41519888082583 15.999 > 19 28 O 0.11111111111111 0.22222222222222 0.05325606749231 15.999 > 28 29 O 0.44444444444444 0.22222222222222 0.05325606749231 15.999 > 28 30 O 0.77777777777778 0.22222222222222 0.05325606749231 15.999 > 28 31 O 0.11111111111111 0.55555555555556 0.05325606749231 15.999 > 28 32 O 0.44444444444444 0.55555555555556 0.05325606749231 15.999 > 28 33 O 0.77777777777778 0.55555555555556 0.05325606749231 15.999 > 28 34 O 0.11111111111111 0.88888888888889 0.05325606749231 15.999 > 28 35 O 0.44444444444444 0.88888888888889 0.05325606749231 15.999 > 28 36 O 0.77777777777778 0.88888888888889 0.05325606749231 15.999 > 28 37 O 0.22222222222222 0.11111111111111 0.94674393250769 15.999 > 37 38 O 0.55555555555556 0.11111111111111 0.94674393250769 15.999 > 37 39 O 0.88888888888889 0.11111111111111 0.94674393250769 15.999 > 37 40 O 0.22222222222222 0.44444444444444 0.94674393250769 15.999 > 37 41 O 0.55555555555556 0.44444444444444 0.94674393250769 15.999 > 37 42 O 0.88888888888889 0.44444444444444 0.94674393250769 15.999 > 37 43 O 0.22222222222222 0.77777777777778 0.94674393250769 15.999 > 37 44 O 0.55555555555556 0.77777777777778 0.94674393250769 15.999 > 37 45 O 0.88888888888889 0.77777777777778 0.94674393250769 15.999 > 37 46 O 0.11111111111111 0.22222222222222 0.58480111917417 15.999 > 46 47 O 0.44444444444444 0.22222222222222 0.58480111917417 15.999 > 46 48 O 0.77777777777778 0.22222222222222 0.58480111917417 15.999 > 46 49 O 0.11111111111111 0.55555555555556 0.58480111917417 15.999 > 46 50 O 0.44444444444444 0.55555555555556 0.58480111917417 15.999 > 46 51 O 0.77777777777778 0.55555555555556 0.58480111917417 15.999 > 46 52 O 0.11111111111111 0.88888888888889 0.58480111917417 15.999 > 46 53 O 0.44444444444444 0.88888888888889 0.58480111917417 15.999 > 46 54 O 0.77777777777778 0.88888888888889 0.58480111917417 15.999 > 46 55 Bi 0.22222222222222 0.11111111111111 0.66038251423071 208.980 > 55 56 Bi 0.55555555555556 0.11111111111111 0.66038251423071 208.980 > 55 57 Bi 0.88888888888889 0.11111111111111 0.66038251423071 208.980 > 55 58 Bi 0.22222222222222 0.44444444444444 0.66038251423071 208.980 > 55 59 Bi 0.55555555555556 0.44444444444444 0.66038251423071 208.980 > 55 60 Bi 0.88888888888889 0.44444444444444 0.66038251423071 208.980 > 55 61 Bi 0.22222222222222 0.77777777777778 0.66038251423071 208.980 > 55 62 Bi 0.55555555555556 0.77777777777778 0.66038251423071 208.980 > 55 63 Bi 0.88888888888889 0.77777777777778 0.66038251423071 208.980 > 55 64 Bi 0.11111111111111 0.22222222222222 0.33961748576929 208.980 > 64 65 Bi 0.44444444444444 0.22222222222222 0.33961748576929 208.980 > 64 66 Bi 0.77777777777778 0.22222222222222 0.33961748576929 208.980 > 64 67 Bi 0.11111111111111 0.55555555555556 0.33961748576929 208.980 > 64 68 Bi 0.44444444444444 0.55555555555556 0.33961748576929 208.980 > 64 69 Bi 0.77777777777778 0.55555555555556 0.33961748576929 208.980 > 64 70 Bi 0.11111111111111 0.88888888888889 0.33961748576929 208.980 > 64 71 Bi 0.44444444444444 0.88888888888889 0.33961748576929 208.980 > 64 72 Bi 0.77777777777778 0.88888888888889 0.33961748576929 208.980 > 64 73 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 > 73 74 U 0.33333333333333 0.00000000000000 0.00000000000000 238.029 > 73 75 U 0.66666666666667 0.00000000000000 0.00000000000000 238.029 > 73 76 U 0.00000000000000 0.33333333333333 0.00000000000000 238.029 > 73 77 U 0.33333333333333 0.33333333333333 0.00000000000000 238.029 > 73 78 U 0.66666666666667 0.33333333333333 0.00000000000000 238.029 > 73 79 U 0.00000000000000 0.66666666666667 0.00000000000000 238.029 > 73 80 U 0.33333333333333 0.66666666666667 0.00000000000000 238.029 > 73 81 U 0.66666666666667 0.66666666666667 0.00000000000000 238.029 > 73----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 7.8498214 0.0000000 0.0000000 0.0000000 7.8498214 0.0000000 0.0000000 0.0000000 7.7531293-------------------------- Born effective charges -------------------------- 1 O -1.9271834 -0.0000000 0.0000000 0.0000000 -1.9271834 0.0000000 0.0000000 0.0000000 -4.5146090 2 O -1.9271834 -0.0000000 0.0000000 0.0000000 -1.9271834 0.0000000 0.0000000 0.0000000 -4.5146090 3 O -2.8961512 -0.0000000 0.0000000 0.0000000 -2.8961512 0.0000000 0.0000000 0.0000000 -3.3677779 4 O -3.6857156 -0.0000000 0.0000000 0.0000000 -3.6857156 0.0000000 0.0000000 0.0000000 -1.2119618 5 O -3.6857156 -0.0000000 0.0000000 0.0000000 -3.6857156 0.0000000 0.0000000 0.0000000 -1.2119618 6 O -2.8961512 -0.0000000 0.0000000 0.0000000 -2.8961512 0.0000000 0.0000000 0.0000000 -3.3677779 7 Bi 4.6746216 0.0000000 0.0000000 0.0000000 4.6746216 0.0000000 0.0000000 0.0000000 5.6389601 8 Bi 4.6746216 0.0000000 0.0000000 0.0000000 4.6746216 0.0000000 0.0000000 0.0000000 5.6389601 9 U 7.6688573 0.0000000 0.0000000 0.0000000 7.6688573 0.0000000 0.0000000 0.0000000 6.9107772----------------------------------------------------------------------------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[ 19, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 28, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 55, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 73, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz)fc3 was written into "fc3.hdf5".Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 06:32:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 06:32:01]-------------------------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: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P-3m1 (164)------------------------------ primitive cell ------------------------------Lattice vectors: a 3.875546933441568 0.000000000000000 0.000000000000000 b -1.937773466720784 3.356322097919276 0.000000000000000 c 0.000000000000000 0.000000000000000 9.464085430000001Atomic positions (fractional): 1 O 0.00000000000000 0.00000000000000 0.78929190449817 15.999 2 O 0.00000000000000 0.00000000000000 0.21070809550183 15.999 3 O 0.66666666666667 0.33333333333333 0.41519888082583 15.999 4 O 0.33333333333333 0.66666666666667 0.05325606749231 15.999 5 O 0.66666666666667 0.33333333333333 0.94674393250769 15.999 6 O 0.33333333333333 0.66666666666667 0.58480111917417 15.999 7 Bi 0.66666666666667 0.33333333333333 0.66038251423071 208.980 8 Bi 0.33333333333333 0.66666666666667 0.33961748576929 208.980 9 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029-------------------------------- supercell ---------------------------------Lattice vectors: a 11.626640800324704 0.000000000000000 0.000000000000000 b -5.813320400162352 10.068966293757828 0.000000000000000 c 0.000000000000000 0.000000000000000 9.464085430000001Atomic positions (fractional): 1 O 0.00000000000000 0.00000000000000 0.78929190449817 15.999 > 1 2 O 0.33333333333333 0.00000000000000 0.78929190449817 15.999 > 1 3 O 0.66666666666667 0.00000000000000 0.78929190449817 15.999 > 1 4 O 0.00000000000000 0.33333333333333 0.78929190449817 15.999 > 1 5 O 0.33333333333333 0.33333333333333 0.78929190449817 15.999 > 1 6 O 0.66666666666667 0.33333333333333 0.78929190449817 15.999 > 1 7 O 0.00000000000000 0.66666666666667 0.78929190449817 15.999 > 1 8 O 0.33333333333333 0.66666666666667 0.78929190449817 15.999 > 1 9 O 0.66666666666667 0.66666666666667 0.78929190449817 15.999 > 1 10 O 0.00000000000000 0.00000000000000 0.21070809550183 15.999 > 10 11 O 0.33333333333333 0.00000000000000 0.21070809550183 15.999 > 10 12 O 0.66666666666667 0.00000000000000 0.21070809550183 15.999 > 10 13 O 0.00000000000000 0.33333333333333 0.21070809550183 15.999 > 10 14 O 0.33333333333333 0.33333333333333 0.21070809550183 15.999 > 10 15 O 0.66666666666667 0.33333333333333 0.21070809550183 15.999 > 10 16 O 0.00000000000000 0.66666666666667 0.21070809550183 15.999 > 10 17 O 0.33333333333333 0.66666666666667 0.21070809550183 15.999 > 10 18 O 0.66666666666667 0.66666666666667 0.21070809550183 15.999 > 10 19 O 0.22222222222222 0.11111111111111 0.41519888082583 15.999 > 19 20 O 0.55555555555556 0.11111111111111 0.41519888082583 15.999 > 19 21 O 0.88888888888889 0.11111111111111 0.41519888082583 15.999 > 19 22 O 0.22222222222222 0.44444444444444 0.41519888082583 15.999 > 19 23 O 0.55555555555556 0.44444444444444 0.41519888082583 15.999 > 19 24 O 0.88888888888889 0.44444444444444 0.41519888082583 15.999 > 19 25 O 0.22222222222222 0.77777777777778 0.41519888082583 15.999 > 19 26 O 0.55555555555556 0.77777777777778 0.41519888082583 15.999 > 19 27 O 0.88888888888889 0.77777777777778 0.41519888082583 15.999 > 19 28 O 0.11111111111111 0.22222222222222 0.05325606749231 15.999 > 28 29 O 0.44444444444444 0.22222222222222 0.05325606749231 15.999 > 28 30 O 0.77777777777778 0.22222222222222 0.05325606749231 15.999 > 28 31 O 0.11111111111111 0.55555555555556 0.05325606749231 15.999 > 28 32 O 0.44444444444444 0.55555555555556 0.05325606749231 15.999 > 28 33 O 0.77777777777778 0.55555555555556 0.05325606749231 15.999 > 28 34 O 0.11111111111111 0.88888888888889 0.05325606749231 15.999 > 28 35 O 0.44444444444444 0.88888888888889 0.05325606749231 15.999 > 28 36 O 0.77777777777778 0.88888888888889 0.05325606749231 15.999 > 28 37 O 0.22222222222222 0.11111111111111 0.94674393250769 15.999 > 37 38 O 0.55555555555556 0.11111111111111 0.94674393250769 15.999 > 37 39 O 0.88888888888889 0.11111111111111 0.94674393250769 15.999 > 37 40 O 0.22222222222222 0.44444444444444 0.94674393250769 15.999 > 37 41 O 0.55555555555556 0.44444444444444 0.94674393250769 15.999 > 37 42 O 0.88888888888889 0.44444444444444 0.94674393250769 15.999 > 37 43 O 0.22222222222222 0.77777777777778 0.94674393250769 15.999 > 37 44 O 0.55555555555556 0.77777777777778 0.94674393250769 15.999 > 37 45 O 0.88888888888889 0.77777777777778 0.94674393250769 15.999 > 37 46 O 0.11111111111111 0.22222222222222 0.58480111917417 15.999 > 46 47 O 0.44444444444444 0.22222222222222 0.58480111917417 15.999 > 46 48 O 0.77777777777778 0.22222222222222 0.58480111917417 15.999 > 46 49 O 0.11111111111111 0.55555555555556 0.58480111917417 15.999 > 46 50 O 0.44444444444444 0.55555555555556 0.58480111917417 15.999 > 46 51 O 0.77777777777778 0.55555555555556 0.58480111917417 15.999 > 46 52 O 0.11111111111111 0.88888888888889 0.58480111917417 15.999 > 46 53 O 0.44444444444444 0.88888888888889 0.58480111917417 15.999 > 46 54 O 0.77777777777778 0.88888888888889 0.58480111917417 15.999 > 46 55 Bi 0.22222222222222 0.11111111111111 0.66038251423071 208.980 > 55 56 Bi 0.55555555555556 0.11111111111111 0.66038251423071 208.980 > 55 57 Bi 0.88888888888889 0.11111111111111 0.66038251423071 208.980 > 55 58 Bi 0.22222222222222 0.44444444444444 0.66038251423071 208.980 > 55 59 Bi 0.55555555555556 0.44444444444444 0.66038251423071 208.980 > 55 60 Bi 0.88888888888889 0.44444444444444 0.66038251423071 208.980 > 55 61 Bi 0.22222222222222 0.77777777777778 0.66038251423071 208.980 > 55 62 Bi 0.55555555555556 0.77777777777778 0.66038251423071 208.980 > 55 63 Bi 0.88888888888889 0.77777777777778 0.66038251423071 208.980 > 55 64 Bi 0.11111111111111 0.22222222222222 0.33961748576929 208.980 > 64 65 Bi 0.44444444444444 0.22222222222222 0.33961748576929 208.980 > 64 66 Bi 0.77777777777778 0.22222222222222 0.33961748576929 208.980 > 64 67 Bi 0.11111111111111 0.55555555555556 0.33961748576929 208.980 > 64 68 Bi 0.44444444444444 0.55555555555556 0.33961748576929 208.980 > 64 69 Bi 0.77777777777778 0.55555555555556 0.33961748576929 208.980 > 64 70 Bi 0.11111111111111 0.88888888888889 0.33961748576929 208.980 > 64 71 Bi 0.44444444444444 0.88888888888889 0.33961748576929 208.980 > 64 72 Bi 0.77777777777778 0.88888888888889 0.33961748576929 208.980 > 64 73 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 > 73 74 U 0.33333333333333 0.00000000000000 0.00000000000000 238.029 > 73 75 U 0.66666666666667 0.00000000000000 0.00000000000000 238.029 > 73 76 U 0.00000000000000 0.33333333333333 0.00000000000000 238.029 > 73 77 U 0.33333333333333 0.33333333333333 0.00000000000000 238.029 > 73 78 U 0.66666666666667 0.33333333333333 0.00000000000000 238.029 > 73 79 U 0.00000000000000 0.66666666666667 0.00000000000000 238.029 > 73 80 U 0.33333333333333 0.66666666666667 0.00000000000000 238.029 > 73 81 U 0.66666666666667 0.66666666666667 0.00000000000000 238.029 > 73----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 7.8498214 0.0000000 0.0000000 0.0000000 7.8498214 0.0000000 0.0000000 0.0000000 7.7531293-------------------------- Born effective charges -------------------------- 1 O -1.9271834 -0.0000000 0.0000000 0.0000000 -1.9271834 0.0000000 0.0000000 0.0000000 -4.5146090 2 O -1.9271834 -0.0000000 0.0000000 0.0000000 -1.9271834 0.0000000 0.0000000 0.0000000 -4.5146090 3 O -2.8961512 -0.0000000 0.0000000 0.0000000 -2.8961512 0.0000000 0.0000000 0.0000000 -3.3677779 4 O -3.6857156 -0.0000000 0.0000000 0.0000000 -3.6857156 0.0000000 0.0000000 0.0000000 -1.2119618 5 O -3.6857156 -0.0000000 0.0000000 0.0000000 -3.6857156 0.0000000 0.0000000 0.0000000 -1.2119618 6 O -2.8961512 -0.0000000 0.0000000 0.0000000 -2.8961512 0.0000000 0.0000000 0.0000000 -3.3677779 7 Bi 4.6746216 0.0000000 0.0000000 0.0000000 4.6746216 0.0000000 0.0000000 0.0000000 5.6389601 8 Bi 4.6746216 0.0000000 0.0000000 0.0000000 4.6746216 0.0000000 0.0000000 0.0000000 5.6389601 9 U 7.6688573 0.0000000 0.0000000 0.0000000 7.6688573 0.0000000 0.0000000 0.0000000 6.9107772----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz)Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 15 15 5 ]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: 0.83, Number of G-points: 309, Lambda: 0.24Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/119) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 119Calculating 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 2.035 ( 0.000 0.000 0.000) 0.000 2.035 ( 0.000 0.000 0.000) 0.000 2.143 ( 0.000 0.000 0.000) 0.000 2.143 ( 0.000 0.000 0.000) 0.000 2.737 ( 0.000 0.000 0.000) 0.000 4.664 ( 0.000 0.000 0.000) 0.000 7.055 ( 0.000 0.000 0.000) 0.000 7.055 ( 0.000 0.000 0.000) 0.000 7.572 ( 0.000 0.000 0.000) 0.000 7.572 ( 0.000 0.000 0.000) 0.000 9.316 ( 0.000 0.000 0.000) 0.000 9.316 ( 0.000 0.000 0.000) 0.000 9.485 ( 0.000 0.000 0.000) 0.000 9.653 ( 0.000 0.000 0.000) 0.000 10.965 ( 0.000 0.000 0.000) 0.000 11.109 ( 0.000 0.000 0.000) 0.000 11.109 ( 0.000 0.000 0.000) 0.000 11.733 ( 0.000 0.000 0.000) 0.000 11.733 ( 0.000 0.000 0.000) 0.000 12.357 ( 0.000 0.000 0.000) 0.000 15.073 ( 0.000 0.000 0.000) 0.000 15.073 ( 0.000 0.000 0.000) 0.000 18.901 ( 0.000 0.000 0.000) 0.000 19.201 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/119) =======================q-point: ( 0.07 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 304Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.420 ( 18.034 10.412 -8.861) 22.631 0.550 ( 23.040 13.302 -4.192) 26.932 0.921 ( 38.821 22.414 6.877) 45.351 2.021 ( -0.623 -0.360 5.009) 5.060 2.167 ( 1.665 0.961 -3.463) 3.961 2.191 ( 4.932 2.847 -1.957) 6.022 2.267 ( 10.526 6.077 0.945) 12.191 2.807 ( 6.435 3.715 -1.679) 7.618 4.625 ( -3.352 -1.935 -0.066) 3.872 7.030 ( -2.275 -1.314 -4.396) 5.121 7.401 ( -13.553 -7.825 -7.085) 17.179 7.564 ( -0.789 -0.455 7.566) 7.620 8.894 ( -21.908 -12.649 -1.905) 25.369 9.280 ( -3.031 -1.750 -4.882) 6.007 9.503 ( 0.349 0.202 4.593) 4.611 9.624 ( -8.748 -5.051 -1.411) 10.199 10.476 ( 8.569 4.947 -2.334) 10.166 10.991 ( 1.904 1.100 -1.083) 2.451 11.048 ( -5.230 -3.019 4.297) 7.412 11.659 ( -5.294 -3.056 1.773) 6.364 11.686 ( -3.891 -2.247 -2.426) 5.106 12.402 ( 3.003 1.734 -0.114) 3.470 14.859 ( -13.615 -7.861 -5.350) 16.606 15.095 ( 1.814 1.048 0.063) 2.096 15.471 ( 8.525 4.922 10.728) 14.560 18.809 ( -7.935 -4.581 -1.334) 9.259 19.145 ( -4.578 -2.643 -0.096) 5.287======================= Grid point 2 (3/119) =======================q-point: ( 0.13 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 304Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.822 ( 16.967 9.796 -7.129) 20.849 1.036 ( 18.901 10.913 -2.172) 21.933 1.745 ( 32.059 18.509 5.323) 37.399 2.031 ( 1.815 1.048 5.409) 5.801 2.207 ( 1.780 1.028 -3.274) 3.866 2.307 ( 5.011 2.893 2.652) 6.365 2.614 ( 19.248 11.113 -3.164) 22.450 3.039 ( 13.256 7.653 -4.149) 15.859 4.516 ( -5.734 -3.310 -0.543) 6.643 6.944 ( -5.448 -3.146 -7.882) 10.085 7.035 ( -16.577 -9.571 -6.552) 20.232 7.532 ( -2.133 -1.231 14.957) 15.159 8.349 ( -24.233 -13.991 -2.855) 28.128 9.183 ( -5.380 -3.106 -11.034) 12.662 9.253 ( -20.581 -11.883 5.043) 24.294 9.437 ( -7.746 -4.472 -1.673) 9.100 10.729 ( 10.633 6.139 -7.171) 14.219 10.880 ( -9.041 -5.220 8.520) 13.475 11.008 ( -1.332 -0.769 -3.854) 4.150 11.570 ( -5.817 -3.358 -4.184) 7.913 11.601 ( 3.246 1.874 4.820) 6.106 12.448 ( 0.374 0.216 -1.125) 1.205 14.507 ( -16.850 -9.728 -1.321) 19.501 15.149 ( 2.686 1.551 0.079) 3.102 15.608 ( 2.431 1.404 13.055) 13.354 18.547 ( -14.631 -8.447 -2.348) 17.057 19.018 ( -5.740 -3.314 -0.755) 6.671======================= Grid point 3 (4/119) =======================q-point: ( 0.20 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 304Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.195 ( 15.544 8.974 -4.665) 18.545 1.403 ( 13.025 7.520 0.268) 15.043 2.112 ( 5.277 3.047 3.776) 7.168 2.250 ( 2.024 1.169 -2.379) 3.335 2.337 ( 17.914 10.343 8.271) 22.278 2.453 ( 9.085 5.245 -3.014) 10.915 3.113 ( 23.057 13.312 -4.896) 27.070 3.374 ( 15.171 8.759 -3.195) 17.807 4.404 ( -2.488 -1.437 -1.055) 3.061 6.705 ( -11.349 -6.552 3.383) 13.534 6.768 ( -10.181 -5.878 -10.177) 15.549 7.457 ( -4.623 -2.669 21.851) 22.494 7.825 ( -21.071 -12.165 -6.188) 25.105 8.747 ( -22.793 -13.160 -1.678) 26.373 9.034 ( -7.721 -4.458 -18.265) 20.325 9.147 ( -16.422 -9.481 3.406) 19.266 10.660 ( -9.307 -5.374 12.066) 16.158 10.774 ( -7.069 -4.081 -10.869) 13.593 11.072 ( 8.149 4.705 -0.970) 9.459 11.443 ( -4.778 -2.759 -4.865) 7.356 11.830 ( 14.903 8.604 -0.062) 17.209 12.415 ( -2.857 -1.650 -4.125) 5.282 14.102 ( -17.890 -10.329 4.248) 21.090 15.210 ( 2.509 1.449 0.062) 2.898 15.549 ( -8.016 -4.628 14.537) 17.234 18.150 ( -19.688 -11.367 -2.549) 22.876 18.917 ( -2.431 -1.404 -1.706) 3.285======================= Grid point 4 (5/119) =======================q-point: ( 0.27 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 304Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.534 ( 14.011 8.089 -2.145) 16.320 1.649 ( 9.045 5.222 1.819) 10.602 2.262 ( 7.144 4.124 0.472) 8.262 2.305 ( 3.159 1.824 -0.570) 3.692 2.553 ( 1.468 0.847 6.634) 6.847 2.717 ( 13.514 7.802 -6.970) 17.090 3.606 ( 18.533 10.700 -4.895) 21.952 3.741 ( 17.628 10.178 0.966) 20.379 4.466 ( 8.089 4.670 0.154) 9.341 6.464 ( -16.471 -9.510 -12.095) 22.540 6.519 ( -5.691 -3.285 14.371) 15.802 7.318 ( -7.258 -4.191 28.149) 29.371 7.376 ( -18.719 -10.808 -8.516) 23.232 8.235 ( -20.593 -11.889 -6.989) 24.784 8.775 ( -14.001 -8.083 5.712) 17.146 8.822 ( -10.848 -6.263 -24.087) 27.149 10.490 ( -4.973 -2.871 13.342) 14.525 10.552 ( -11.480 -6.628 -8.218) 15.597 11.241 ( 5.132 2.963 -2.257) 6.341 11.367 ( -1.632 -0.942 -4.603) 4.973 12.189 ( 13.038 7.528 -0.648) 15.069 12.360 ( 0.551 0.318 -15.600) 15.613 13.727 ( -13.608 -7.856 9.729) 18.481 15.248 ( -17.489 -10.097 16.106) 25.830 15.260 ( 1.759 1.015 0.038) 2.031 17.657 ( -23.099 -13.336 -2.364) 26.777 18.917 ( 2.209 1.275 -1.887) 3.172======================= Grid point 5 (6/119) =======================q-point: ( 0.33 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 304Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.832 ( 11.697 6.753 -0.287) 13.509 1.835 ( 6.928 4.000 -0.056) 7.999 2.366 ( 3.539 2.043 -1.770) 4.453 2.456 ( 8.146 4.703 0.541) 9.422 2.471 ( -5.619 -3.244 -0.448) 6.503 3.079 ( 17.130 9.890 -1.145) 19.814 3.953 ( 11.881 6.859 3.721) 14.215 4.148 ( 16.380 9.457 -2.252) 19.048 4.726 ( 13.114 7.571 2.029) 15.278 6.015 ( -22.177 -12.804 -12.348) 28.430 6.365 ( -9.399 -5.427 12.413) 16.489 6.932 ( -20.509 -11.841 -8.221) 25.069 7.145 ( -7.238 -4.179 30.818) 31.931 7.922 ( -3.870 -2.234 4.854) 6.598 8.546 ( -12.681 -7.322 -25.586) 29.480 8.561 ( -4.259 -2.459 -1.215) 5.066 10.253 ( -14.612 -8.436 -9.147) 19.192 10.440 ( 0.318 0.184 11.450) 11.456 11.270 ( -2.873 -1.659 -2.684) 4.268 11.366 ( 1.298 0.749 -3.835) 4.118 12.291 ( 2.254 1.302 -0.246) 2.615 12.530 ( 6.658 3.844 -20.295) 21.702 13.535 ( -2.637 -1.522 5.434) 6.229 14.811 ( -18.417 -10.633 21.491) 30.234 15.291 ( 0.931 0.537 0.013) 1.075 17.106 ( -24.507 -14.149 -2.607) 28.418 19.000 ( 4.485 2.589 -1.380) 5.359======================= Grid point 6 (7/119) =======================q-point: ( 0.40 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 304Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.937 ( 1.577 0.911 -3.208) 3.689 2.052 ( 6.990 4.036 0.356) 8.079 2.392 ( -0.561 -0.324 1.086) 1.265 2.457 ( 4.197 2.423 -0.636) 4.887 2.638 ( 7.580 4.376 -0.410) 8.762 3.462 ( 15.411 8.898 -1.035) 17.826 4.140 ( 4.121 2.379 9.872) 10.959 4.454 ( 9.962 5.752 -4.237) 12.259 5.011 ( 10.737 6.199 1.981) 12.555 5.495 ( -21.642 -12.495 -9.212) 26.633 6.113 ( -10.268 -5.928 4.634) 12.730 6.453 ( -19.933 -11.508 -7.631) 24.249 7.007 ( -4.506 -2.602 25.304) 25.834 8.048 ( 11.185 6.457 18.095) 22.231 8.270 ( -10.660 -6.154 -20.990) 24.333 8.588 ( 7.296 4.212 -3.994) 9.324 9.883 ( -17.713 -10.227 -12.691) 24.071 10.480 ( 2.518 1.454 7.594) 8.131 11.135 ( -7.607 -4.392 -2.958) 9.268 11.410 ( 2.127 1.228 -2.685) 3.639 12.372 ( 3.635 2.098 -3.896) 5.727 12.584 ( 0.561 0.324 -5.780) 5.816 13.493 ( -5.298 -3.059 -12.242) 13.686 14.547 ( -1.725 -0.996 27.644) 27.715 15.304 ( 0.339 0.196 -0.009) 0.392 16.558 ( -22.464 -12.970 -3.510) 26.176 19.100 ( 3.872 2.235 -0.767) 4.536======================= Grid point 7 (8/119) =======================q-point: ( 0.47 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 304Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.936 ( -0.581 -0.336 -1.681) 1.810 2.150 ( 1.927 1.112 0.134) 2.229 2.413 ( 1.163 0.671 0.636) 1.486 2.535 ( 2.020 1.166 -0.077) 2.333 2.782 ( 3.997 2.308 -0.125) 4.617 3.745 ( 8.006 4.622 -1.443) 9.356 4.150 ( -1.904 -1.099 6.305) 6.677 4.604 ( 3.223 1.861 -2.150) 4.298 5.111 ( -9.749 -5.628 -3.470) 11.780 5.190 ( 4.402 2.541 0.770) 5.141 5.971 ( -1.803 -1.041 2.395) 3.173 6.088 ( -10.290 -5.941 -4.549) 12.723 6.941 ( -1.361 -0.786 10.138) 10.259 8.091 ( -4.268 -2.464 -8.533) 9.854 8.244 ( 4.180 2.413 5.560) 7.363 8.927 ( 20.944 12.092 12.634) 27.285 9.434 ( -21.441 -12.379 -16.996) 30.031 10.529 ( 1.304 0.753 2.679) 3.073 10.986 ( -4.076 -2.353 -1.351) 4.896 11.448 ( 0.949 0.548 -0.997) 1.482 12.403 ( -0.310 -0.179 -2.305) 2.333 12.649 ( 3.927 2.267 0.623) 4.577 13.295 ( -7.934 -4.581 -6.805) 11.412 14.660 ( 6.407 3.699 11.949) 14.053 15.309 ( 0.064 0.037 -0.008) 0.075 16.142 ( -11.389 -6.576 -2.636) 13.413 19.164 ( 1.479 0.854 -0.240) 1.725======================= Grid point 16 (9/119) =======================q-point: ( 0.07 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 304Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.704 ( 10.375 17.969 0.000) 20.749 0.928 ( 11.379 19.710 0.000) 22.759 1.536 ( 19.790 34.277 0.000) 39.579 2.050 ( 0.994 1.722 0.000) 1.988 2.169 ( 1.160 2.009 0.000) 2.320 2.273 ( 2.828 4.898 0.000) 5.655 2.513 ( 9.987 17.298 0.000) 19.974 2.956 ( 6.472 11.210 0.000) 12.944 4.550 ( -3.161 -5.475 0.000) 6.322 6.882 ( -7.263 -12.579 0.000) 14.525 7.293 ( -2.857 -4.949 0.000) 5.715 7.478 ( -3.548 -6.146 0.000) 7.097 8.541 ( -11.761 -20.370 0.000) 23.521 9.176 ( -4.304 -7.456 0.000) 8.609 9.380 ( -10.738 -18.599 0.000) 21.476 9.482 ( -2.623 -4.543 0.000) 5.246 10.670 ( 7.482 12.960 0.000) 14.965 10.912 ( -5.411 -9.372 0.000) 10.822 11.027 ( 0.091 0.158 0.000) 0.183 11.556 ( -4.487 -7.771 0.000) 8.974 11.613 ( -0.705 -1.221 0.000) 1.410 12.443 ( 0.829 1.435 0.000) 1.657 14.675 ( -7.119 -12.331 0.000) 14.239 15.073 ( -0.223 -0.387 0.000) 0.446 15.595 ( 2.904 5.029 0.000) 5.807 18.632 ( -7.526 -13.035 0.000) 15.052 19.055 ( -3.341 -5.786 0.000) 6.681======================= Grid point 17 (10/119) =======================q-point: ( 0.13 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.080 ( 12.682 16.023 -3.018) 20.656 1.283 ( 11.102 12.243 -0.410) 16.532 2.083 ( 1.496 2.563 2.706) 4.016 2.149 ( 16.361 17.183 1.264) 23.760 2.236 ( 4.332 5.711 0.149) 7.170 2.420 ( 5.935 9.636 0.797) 11.345 2.927 ( 16.479 19.264 -2.386) 25.463 3.236 ( 11.804 11.814 -2.387) 16.870 4.427 ( -3.776 -5.247 -0.518) 6.485 6.607 ( -5.705 -17.393 -1.982) 18.412 7.124 ( -16.259 4.755 -6.278) 18.066 7.372 ( 1.735 -13.344 11.204) 17.510 8.146 ( -18.361 -5.683 -0.104) 19.220 8.947 ( -16.712 -17.122 4.800) 24.403 9.019 ( -2.859 -12.652 -13.267) 18.555 9.277 ( -11.235 -12.710 0.807) 16.983 10.691 ( -6.725 -12.582 4.978) 15.110 10.868 ( -3.986 4.213 -9.239) 10.909 10.995 ( 4.776 -0.448 2.992) 5.653 11.417 ( -1.678 -8.924 -1.551) 9.212 11.718 ( 8.835 10.025 1.079) 13.406 12.437 ( -1.496 -1.495 -1.477) 2.579 14.363 ( -17.531 -6.310 0.430) 18.637 15.097 ( 5.419 -5.126 1.200) 7.556 15.612 ( -3.429 -2.650 6.962) 8.201 18.303 ( -13.638 -15.876 -1.386) 20.975 18.949 ( -2.966 -2.801 -0.761) 4.150======================= Grid point 18 (11/119) =======================q-point: ( 0.20 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.437 ( 10.671 14.383 -2.332) 18.061 1.555 ( 9.421 8.192 1.022) 12.526 2.178 ( 6.285 3.608 0.315) 7.254 2.282 ( 2.446 2.858 -0.857) 3.859 2.522 ( 6.048 7.655 9.908) 13.905 2.670 ( 7.813 15.380 -7.257) 18.715 3.418 ( 17.804 16.523 -4.735) 24.747 3.570 ( 14.162 10.855 -0.125) 17.845 4.382 ( 3.747 -0.367 -0.284) 3.776 6.369 ( -3.221 -15.247 1.262) 15.635 6.873 ( -16.487 2.952 0.854) 16.771 7.225 ( -4.202 -13.402 6.384) 15.428 7.795 ( -21.794 3.591 5.465) 22.754 8.476 ( -20.177 -12.755 -3.195) 24.083 8.840 ( -3.225 -13.816 -18.934) 23.660 8.902 ( -13.164 -15.014 4.210) 20.407 10.463 ( -3.662 -13.553 8.620) 16.474 10.679 ( -10.605 -6.338 -6.749) 14.078 11.138 ( 7.401 -2.396 -2.059) 8.047 11.341 ( 0.311 -2.714 -1.366) 3.055 12.062 ( 14.279 14.884 -1.734) 20.698 12.379 ( -2.341 -1.627 -6.417) 7.022 13.983 ( -20.006 -3.026 5.044) 20.853 15.135 ( 5.811 -8.019 2.358) 10.180 15.413 ( -11.693 -9.764 9.314) 17.855 17.860 ( -18.197 -17.643 -1.818) 25.411 18.920 ( 0.121 2.170 -1.428) 2.600======================= Grid point 19 (12/119) =======================q-point: ( 0.27 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.706 ( 8.677 6.489 0.324) 10.841 1.807 ( 7.809 12.789 -0.235) 14.987 2.325 ( 3.353 2.317 -3.206) 5.185 2.389 ( 7.220 7.224 1.713) 10.356 2.560 ( -4.277 1.060 2.094) 4.879 2.980 ( 9.676 17.218 -2.326) 19.887 3.808 ( 13.152 9.084 -1.245) 16.033 3.960 ( 16.898 11.239 0.169) 20.295 4.556 ( 12.741 4.251 1.363) 13.501 6.146 ( -8.326 -13.334 -2.063) 15.855 6.615 ( -17.813 2.682 6.187) 19.047 6.958 ( -8.666 -17.076 2.947) 19.375 7.453 ( -21.587 3.068 15.015) 26.473 8.047 ( -15.255 -6.892 -3.982) 17.207 8.594 ( -7.655 -9.466 -2.997) 12.537 8.661 ( -4.819 -6.815 -16.075) 18.113 10.321 ( 3.016 -13.504 8.679) 16.334 10.408 ( -12.451 -8.330 -6.790) 16.448 11.191 ( 6.674 -8.567 -3.051) 11.280 11.339 ( -0.855 -0.784 -0.699) 1.355 12.301 ( 0.034 3.754 3.646) 5.233 12.493 ( 9.909 13.753 -21.823) 27.633 13.668 ( -13.245 0.419 8.967) 16.000 14.968 ( -14.583 -16.420 14.920) 26.550 15.214 ( 3.084 -6.612 0.346) 7.304 17.340 ( -21.097 -18.279 -2.051) 27.990 18.987 ( 2.438 5.933 -1.349) 6.555======================= Grid point 20 (13/119) =======================q-point: ( 0.33 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.884 ( 6.210 2.791 -1.017) 6.884 2.030 ( 3.678 10.137 -0.891) 10.820 2.372 ( 2.005 0.080 1.474) 2.490 2.500 ( -3.050 5.509 -1.366) 6.444 2.622 ( 5.779 12.544 -0.556) 13.822 3.327 ( 11.845 13.897 -0.900) 18.282 4.062 ( 8.390 4.029 7.125) 11.721 4.314 ( 12.987 6.834 -3.331) 15.049 4.842 ( 14.129 3.836 2.218) 14.807 5.784 ( -20.219 -8.627 -8.513) 23.573 6.290 ( -17.574 -4.285 5.024) 18.773 6.596 ( -13.154 -17.721 -1.954) 22.156 7.147 ( -14.614 -0.286 21.543) 26.034 7.912 ( 3.963 -1.115 5.834) 7.140 8.400 ( -7.561 -2.827 -11.747) 14.253 8.618 ( -0.231 8.154 -7.189) 10.873 10.083 ( -15.623 -8.385 -9.620) 20.172 10.291 ( 9.082 -14.798 6.663) 18.598 11.176 ( -2.235 -7.532 -2.997) 8.409 11.303 ( 4.305 -6.315 -0.671) 7.672 12.374 ( 2.735 7.226 -0.975) 7.787 12.684 ( -3.640 11.130 -15.496) 19.423 13.568 ( -3.344 3.678 -2.580) 5.601 14.568 ( -9.432 -13.234 24.099) 29.066 15.223 ( 4.855 -7.094 0.034) 8.596 16.789 ( -21.588 -17.455 -2.833) 27.906 19.099 ( 2.256 7.281 -0.895) 7.675======================= Grid point 21 (14/119) =======================q-point: ( 0.40 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.952 ( -0.092 1.299 -2.551) 2.864 2.144 ( 1.971 4.529 0.628) 4.979 2.417 ( 0.747 3.406 1.262) 3.709 2.543 ( 0.319 5.401 -0.671) 5.452 2.828 ( 1.502 14.655 -0.498) 14.740 3.631 ( 10.281 7.151 -1.403) 12.601 4.165 ( 0.918 0.715 9.245) 9.317 4.529 ( 7.113 1.684 -3.572) 8.136 5.069 ( 8.766 -0.321 1.199) 8.853 5.365 ( -19.065 -0.988 -6.645) 20.214 6.015 ( -7.428 -4.670 2.995) 9.272 6.206 ( -12.703 -12.127 -4.130) 18.041 6.955 ( -5.294 -3.826 14.414) 15.825 8.004 ( 5.901 -6.094 -1.287) 8.580 8.331 ( -3.636 9.291 -0.036) 9.977 8.824 ( 9.238 18.175 4.254) 20.827 9.702 ( -19.794 -7.353 -13.948) 25.306 10.316 ( 11.409 -16.895 3.388) 20.666 11.010 ( -4.878 -8.257 -2.247) 9.850 11.349 ( 6.624 -6.432 -0.332) 9.239 12.508 ( 0.168 11.104 -3.189) 11.554 12.670 ( -4.731 7.125 -2.387) 8.880 13.449 ( -12.459 -0.852 -11.333) 16.864 14.512 ( 10.154 -3.094 21.449) 23.931 15.234 ( 4.537 -6.788 0.151) 8.166 16.289 ( -16.732 -13.705 -3.532) 21.915 19.192 ( 0.065 6.780 -0.424) 6.793======================= Grid point 22 (15/119) =======================q-point: ( 0.47 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 304Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.951 ( -1.059 1.834 -0.000) 2.118 2.186 ( -1.151 1.994 -0.000) 2.302 2.444 ( -1.503 2.604 0.000) 3.007 2.577 ( -1.791 3.102 0.000) 3.581 2.923 ( -6.576 11.389 0.000) 13.151 3.772 ( 1.085 -1.880 0.000) 2.171 4.155 ( -1.077 1.865 -0.000) 2.154 4.598 ( 1.346 -2.331 -0.000) 2.691 5.092 ( -0.573 0.992 -0.000) 1.146 5.236 ( -1.840 3.187 0.000) 3.680 5.947 ( 1.109 -1.920 -0.000) 2.217 6.005 ( 0.982 -1.700 -0.000) 1.963 6.890 ( 1.866 -3.232 -0.000) 3.732 8.007 ( 2.510 -4.347 0.000) 5.020 8.367 ( -4.911 8.506 0.000) 9.822 9.219 ( -2.519 4.362 0.000) 5.037 9.286 ( -5.287 9.157 -0.000) 10.574 10.332 ( 10.741 -18.604 0.000) 21.483 10.917 ( 2.646 -4.582 -0.000) 5.291 11.377 ( 4.205 -7.283 0.000) 8.410 12.548 ( -7.567 13.106 0.000) 15.133 12.701 ( -1.440 2.494 -0.000) 2.880 13.292 ( -2.817 4.880 0.000) 5.635 14.632 ( 3.970 -6.876 -0.000) 7.940 15.242 ( 3.741 -6.480 0.000) 7.482 16.047 ( 1.572 -2.723 0.000) 3.144 19.227 ( -3.024 5.238 -0.000) 6.048======================= Grid point 33 (16/119) =======================q-point: ( 0.13 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 304Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.423 ( 9.646 16.708 0.000) 19.292 1.509 ( 6.697 11.599 0.000) 13.394 2.140 ( 2.765 4.789 0.000) 5.530 2.275 ( 2.126 3.682 0.000) 4.252 2.510 ( 6.667 11.548 0.000) 13.334 2.685 ( 9.341 16.179 0.000) 18.682 3.348 ( 12.848 22.253 0.000) 25.696 3.492 ( 7.814 13.535 0.000) 15.628 4.346 ( -0.883 -1.529 0.000) 1.766 6.319 ( -6.661 -11.536 0.000) 13.321 7.017 ( -7.930 -13.736 0.000) 15.861 7.225 ( -1.278 -2.213 0.000) 2.555 8.047 ( -4.041 -7.000 0.000) 8.083 8.627 ( -8.051 -13.944 0.000) 16.101 8.726 ( -9.171 -15.884 0.000) 18.341 8.940 ( -11.204 -19.406 0.000) 22.409 10.416 ( -8.305 -14.385 0.000) 16.610 10.765 ( -6.427 -11.131 0.000) 12.853 11.017 ( -0.356 -0.616 0.000) 0.712 11.329 ( 0.454 0.787 0.000) 0.909 12.009 ( 10.856 18.803 0.000) 21.711 12.392 ( -1.509 -2.614 0.000) 3.019 14.191 ( -6.802 -11.782 0.000) 13.605 15.006 ( -1.910 -3.308 0.000) 3.820 15.464 ( -7.197 -12.465 0.000) 14.393 17.929 ( -12.402 -21.482 0.000) 24.805 18.933 ( 0.894 1.549 0.000) 1.788======================= Grid point 34 (17/119) =======================q-point: ( 0.20 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.652 ( 5.710 7.201 0.313) 9.195 1.814 ( 9.258 17.181 -0.400) 19.521 2.303 ( 5.322 8.658 -4.584) 11.149 2.340 ( 4.170 3.368 3.988) 6.681 2.626 ( -0.491 3.433 1.940) 3.974 3.027 ( 8.715 19.601 -1.305) 21.491 3.727 ( 7.833 13.075 -3.784) 15.705 3.804 ( 14.945 13.233 2.391) 20.104 4.411 ( 7.333 3.707 0.596) 8.238 6.131 ( -4.323 -9.157 1.065) 10.182 6.768 ( -6.614 -10.965 4.305) 13.510 7.078 ( -12.916 -5.689 -1.961) 14.249 7.811 ( -16.499 -3.322 6.932) 18.202 8.265 ( -19.360 -11.479 -1.627) 22.566 8.558 ( 5.193 -9.423 -12.451) 16.455 8.618 ( -6.385 -11.371 2.972) 13.375 10.149 ( -3.544 -17.487 3.186) 18.125 10.517 ( -9.706 -9.518 -3.599) 14.062 10.988 ( 3.816 -8.129 -0.062) 8.980 11.353 ( -0.772 -0.328 0.021) 0.839 12.349 ( -0.480 4.164 6.951) 8.117 12.440 ( 13.658 17.884 -13.569) 26.277 13.915 ( -13.883 -5.109 3.771) 15.266 14.950 ( -0.314 -9.235 2.942) 9.698 15.145 ( -9.426 -17.074 2.547) 19.669 17.462 ( -16.334 -22.035 -0.817) 27.441 19.010 ( 2.853 6.680 -0.566) 7.285======================= Grid point 35 (18/119) =======================q-point: ( 0.27 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.814 ( 6.027 5.066 0.167) 7.875 2.097 ( 3.546 14.391 -1.853) 14.937 2.340 ( 1.784 -0.169 1.954) 2.651 2.605 ( 3.283 11.317 -2.199) 11.987 2.644 ( 3.710 10.428 1.146) 11.128 3.349 ( 5.977 18.830 -0.552) 19.764 3.958 ( 8.248 6.068 2.013) 10.436 4.164 ( 12.968 8.993 -0.975) 15.811 4.633 ( 12.877 3.385 1.644) 13.416 5.944 ( -8.779 -7.875 -1.714) 11.917 6.526 ( -10.332 -11.733 1.961) 15.756 6.677 ( -20.254 -13.470 1.012) 24.345 7.462 ( -20.797 -1.235 15.071) 25.714 7.907 ( -7.039 -8.063 -7.596) 13.125 8.476 ( -3.071 -0.499 -2.317) 3.880 8.657 ( 5.744 7.394 -5.332) 10.774 9.962 ( 4.352 -21.716 3.225) 22.382 10.249 ( -11.598 -7.161 -6.106) 14.936 11.007 ( 7.556 -8.449 0.490) 11.345 11.260 ( -4.763 -8.033 -0.664) 9.363 12.409 ( 2.064 7.424 0.912) 7.760 12.830 ( 5.719 19.101 -17.246) 26.363 13.687 ( -7.308 0.401 8.161) 10.962 14.626 ( -15.379 -17.035 11.189) 25.532 15.020 ( 6.715 -12.083 0.167) 13.824 16.943 ( -18.499 -21.279 -1.632) 28.243 19.144 ( 2.826 9.380 -0.608) 9.815======================= Grid point 36 (19/119) =======================q-point: ( 0.33 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.944 ( 3.625 3.296 -1.288) 5.066 2.184 ( -1.350 4.520 -0.145) 4.720 2.440 ( 3.255 7.271 2.310) 8.294 2.636 ( -2.876 7.652 -1.796) 8.370 2.957 ( 5.913 20.464 -0.539) 21.308 3.593 ( 4.132 12.147 -1.054) 12.873 4.121 ( 5.556 2.434 7.732) 9.827 4.411 ( 8.654 2.887 -3.368) 9.725 4.876 ( 12.480 -0.316 1.564) 12.582 5.655 ( -16.247 -6.197 -6.717) 18.641 6.147 ( -15.965 -10.855 1.000) 19.332 6.261 ( -10.227 -15.887 1.470) 18.952 7.114 ( -16.638 -1.063 11.100) 20.029 7.862 ( 4.748 -2.754 -1.386) 5.661 8.482 ( -2.099 10.074 -1.052) 10.344 8.889 ( 6.290 17.715 0.546) 18.806 9.837 ( 4.108 -21.962 -0.298) 22.345 10.000 ( -7.421 -6.770 -7.193) 12.355 10.985 ( -3.140 -11.783 -1.413) 12.275 11.139 ( 6.272 -9.488 0.810) 11.402 12.557 ( 4.249 10.178 0.120) 11.030 12.935 ( -10.236 13.345 -12.563) 20.993 13.659 ( -6.327 5.484 -6.797) 10.784 14.307 ( 1.416 -12.559 22.535) 25.837 15.032 ( 7.890 -11.401 0.520) 13.875 16.427 ( -17.510 -18.630 -2.801) 25.719 19.274 ( 0.725 9.773 -0.400) 9.808======================= Grid point 37 (20/119) =======================q-point: ( 0.40 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.995 ( -0.706 2.848 -0.976) 3.092 2.211 ( 0.398 1.795 0.758) 1.989 2.523 ( -1.902 6.934 0.403) 7.202 2.665 ( -2.726 7.040 -0.666) 7.579 3.194 ( -4.074 21.275 -0.021) 21.662 3.721 ( 2.592 1.871 -1.083) 3.375 4.195 ( 0.293 2.762 5.254) 5.943 4.523 ( 4.255 -2.092 -2.120) 5.193 5.023 ( 6.553 -4.272 0.484) 7.837 5.350 ( -9.260 -3.589 -3.904) 10.671 5.912 ( -2.018 -5.520 2.460) 6.372 5.999 ( -4.823 -8.314 -1.355) 9.707 6.907 ( -7.294 1.786 3.700) 8.371 7.915 ( 3.748 -3.435 -0.223) 5.089 8.564 ( -4.341 14.092 -0.034) 14.746 9.200 ( 8.964 15.359 8.653) 19.777 9.609 ( -14.735 -1.441 -9.481) 17.581 9.904 ( 10.378 -20.770 -1.354) 23.258 10.809 ( 0.084 -11.796 -0.775) 11.822 11.183 ( 7.547 -9.709 0.502) 12.307 12.725 ( 3.017 8.227 -0.396) 8.772 12.863 ( -11.065 12.794 -2.596) 17.113 13.493 ( -13.357 6.190 -5.427) 15.690 14.399 ( 13.019 -8.778 10.317) 18.788 15.060 ( 7.505 -10.283 0.695) 12.749 16.034 ( -7.807 -11.330 -2.236) 13.939 19.351 ( -2.611 8.605 -0.135) 8.994======================= Grid point 49 (21/119) =======================q-point: ( 0.20 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 304Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.786 ( 3.825 6.625 0.000) 7.650 2.151 ( 9.192 15.922 0.000) 18.385 2.316 ( -1.308 -2.266 0.000) 2.617 2.609 ( 10.620 18.395 0.000) 21.241 2.689 ( 1.827 3.165 0.000) 3.654 3.407 ( 10.223 17.707 0.000) 20.446 3.925 ( 4.511 7.813 0.000) 9.022 4.081 ( 7.739 13.405 0.000) 15.478 4.526 ( 4.275 7.405 0.000) 8.550 5.974 ( -4.420 -7.656 0.000) 8.840 6.530 ( -7.486 -12.966 0.000) 14.972 6.819 ( -12.399 -21.476 0.000) 24.798 7.698 ( -4.073 -7.055 0.000) 8.146 7.924 ( -10.513 -18.209 0.000) 21.026 8.497 ( -0.157 -0.272 0.000) 0.314 8.616 ( 6.766 11.718 0.000) 13.531 9.801 ( -9.684 -16.774 0.000) 19.368 10.322 ( -5.645 -9.777 0.000) 11.290 10.881 ( -1.429 -2.476 0.000) 2.858 11.262 ( -5.134 -8.893 0.000) 10.268 12.432 ( 3.462 5.996 0.000) 6.923 12.870 ( 12.922 22.382 0.000) 25.844 13.765 ( -5.269 -9.126 0.000) 10.538 14.748 ( -11.588 -20.070 0.000) 23.175 14.818 ( -3.280 -5.681 0.000) 6.560 16.997 ( -14.100 -24.422 0.000) 28.200 19.169 ( 5.080 8.798 0.000) 10.159======================= Grid point 50 (22/119) =======================q-point: ( 0.27 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.914 ( 4.093 5.054 -0.193) 6.507 2.254 ( -2.816 0.310 -0.838) 2.955 2.444 ( 7.060 11.735 1.672) 13.797 2.748 ( -0.577 6.390 -1.049) 6.501 3.005 ( 11.516 20.997 -0.106) 23.948 3.695 ( 3.232 15.377 -0.147) 15.714 4.059 ( 4.420 4.459 2.344) 6.702 4.309 ( 7.294 5.512 -1.205) 9.221 4.684 ( 8.372 1.576 0.831) 8.559 5.786 ( -8.881 -9.633 -2.041) 13.261 6.250 ( -9.053 -14.627 -2.287) 17.354 6.292 ( -17.383 -24.316 3.169) 30.057 7.462 ( -19.634 2.605 10.172) 22.265 7.746 ( 4.899 -8.204 -7.391) 12.080 8.582 ( 2.916 10.539 -0.470) 10.945 8.925 ( 9.903 17.956 0.474) 20.511 9.506 ( -0.726 -23.157 0.466) 23.173 10.134 ( -7.990 -4.492 -3.683) 9.878 10.871 ( 2.903 -5.815 0.979) 6.572 11.030 ( -6.090 -13.849 -0.553) 15.139 12.580 ( 4.426 9.221 0.382) 10.235 13.223 ( -2.094 19.756 -14.722) 24.727 13.655 ( 5.666 -3.865 10.675) 12.689 14.331 ( -15.956 -11.949 4.530) 20.443 14.772 ( 6.569 -11.849 0.613) 13.562 16.508 ( -15.267 -22.104 -1.054) 26.884 19.338 ( 3.443 9.668 -0.163) 10.264======================= Grid point 51 (23/119) =======================q-point: ( 0.33 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.015 ( 2.158 3.804 -0.577) 4.411 2.224 ( -0.952 0.188 0.443) 1.066 2.619 ( 0.857 9.215 0.942) 9.303 2.795 ( -2.423 8.168 -1.292) 8.617 3.389 ( 7.654 21.473 0.204) 22.797 3.799 ( -5.508 9.100 -1.103) 10.694 4.180 ( 4.863 3.814 5.246) 8.106 4.432 ( 4.196 -0.593 -2.541) 4.941 4.825 ( 9.321 -5.051 0.649) 10.622 5.434 ( -13.136 -18.029 -4.183) 22.695 5.902 ( -5.585 -10.318 2.585) 12.014 5.990 ( -5.706 -11.265 -0.907) 12.661 7.191 ( -17.211 9.224 4.458) 20.030 7.802 ( 6.209 -3.804 -1.011) 7.351 8.764 ( 0.563 17.440 -0.470) 17.456 9.170 ( 3.253 -3.542 -0.117) 4.810 9.423 ( 13.344 -4.788 5.682) 15.273 9.951 ( -11.252 0.236 -8.272) 13.968 10.695 ( -4.253 -17.231 -0.208) 17.750 10.969 ( 6.336 -6.956 0.734) 9.438 12.746 ( 3.845 8.256 0.381) 9.115 13.195 ( -12.890 12.624 -8.699) 20.030 13.789 ( -5.554 7.582 -5.813) 11.051 14.082 ( 6.389 -9.848 15.037) 19.077 14.794 ( 9.563 -12.170 1.368) 15.538 16.068 ( -11.763 -16.857 -1.973) 20.650 19.464 ( 0.105 8.829 -0.118) 8.831======================= Grid point 52 (24/119) =======================q-point: ( 0.40 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 304Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.054 ( -1.574 2.727 -0.000) 3.149 2.218 ( 0.332 -0.576 0.000) 0.665 2.667 ( -3.887 6.732 0.000) 7.773 2.818 ( -4.522 7.833 -0.000) 9.045 3.632 ( -12.158 21.058 0.000) 24.315 3.729 ( -0.264 0.457 0.000) 0.527 4.260 ( -1.628 2.820 -0.000) 3.256 4.457 ( 2.351 -4.072 0.000) 4.702 4.883 ( 5.755 -9.968 -0.000) 11.511 5.193 ( 5.961 -10.325 -0.000) 11.923 5.817 ( 2.090 -3.619 -0.000) 4.179 5.877 ( 2.509 -4.346 0.000) 5.018 7.084 ( -8.864 15.353 -0.000) 17.728 7.840 ( 2.578 -4.465 -0.000) 5.156 8.876 ( -9.528 16.503 0.000) 19.056 9.134 ( 11.342 -19.646 0.000) 22.685 9.645 ( 1.182 -2.047 -0.000) 2.363 9.771 ( -6.683 11.575 0.000) 13.366 10.556 ( 7.519 -13.023 -0.000) 15.038 10.994 ( 4.932 -8.542 0.000) 9.864 12.832 ( -1.875 3.247 -0.000) 3.750 13.139 ( -8.305 14.384 0.000) 16.609 13.710 ( -8.660 14.999 0.000) 17.319 14.160 ( 8.512 -14.744 -0.000) 17.025 14.828 ( 7.616 -13.192 -0.000) 15.233 15.859 ( 3.497 -6.056 0.000) 6.993 19.509 ( -3.955 6.851 -0.000) 7.911======================= Grid point 66 (25/119) =======================q-point: ( 0.27 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 304Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.012 ( 2.711 4.695 0.000) 5.422 2.236 ( -0.777 -1.345 0.000) 1.553 2.660 ( 4.912 8.508 0.000) 9.824 2.865 ( 3.018 5.228 0.000) 6.037 3.415 ( 11.002 19.055 0.000) 22.003 3.937 ( 4.876 8.445 0.000) 9.752 4.150 ( 2.985 5.170 0.000) 5.969 4.386 ( 1.317 2.280 0.000) 2.633 4.693 ( -0.353 -0.612 0.000) 0.707 5.456 ( -13.975 -24.205 0.000) 27.949 5.897 ( -6.494 -11.248 0.000) 12.988 5.982 ( -6.867 -11.894 0.000) 13.734 7.571 ( -0.305 -0.528 0.000) 0.609 7.576 ( -0.180 -0.312 0.000) 0.360 8.849 ( 7.879 13.648 0.000) 15.759 9.081 ( -9.659 -16.730 0.000) 19.318 9.305 ( 10.392 17.999 0.000) 20.784 10.059 ( -1.959 -3.392 0.000) 3.917 10.640 ( -10.072 -17.446 0.000) 20.145 10.872 ( -0.820 -1.420 0.000) 1.639 12.754 ( 4.516 7.821 0.000) 9.031 13.522 ( -1.322 -2.290 0.000) 2.644 13.610 ( 6.954 12.045 0.000) 13.908 14.150 ( -4.033 -6.985 0.000) 8.066 14.590 ( -3.221 -5.578 0.000) 6.441 16.088 ( -11.221 -19.435 0.000) 22.442 19.508 ( 4.068 7.046 0.000) 8.136======================= Grid point 67 (26/119) =======================q-point: ( 0.33 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.092 ( 1.098 3.774 -0.067) 3.931 2.207 ( -0.610 -1.725 0.066) 1.831 2.764 ( -0.223 4.894 0.151) 4.902 2.944 ( -0.899 6.178 -0.253) 6.248 3.705 ( 5.180 7.944 0.132) 9.484 4.029 ( -7.265 15.966 -0.243) 17.543 4.275 ( 4.280 5.725 1.731) 7.354 4.399 ( 0.242 -2.363 -1.235) 2.677 4.668 ( 4.360 -10.743 0.120) 11.595 5.023 ( -5.116 -19.314 -0.670) 19.991 5.777 ( -1.375 -3.306 0.807) 3.670 5.813 ( -1.252 -6.354 -0.678) 6.511 7.439 ( -12.600 13.976 1.191) 18.855 7.718 ( 8.034 -4.039 -0.483) 9.005 8.759 ( 2.560 -21.003 -0.154) 21.159 9.169 ( -0.278 20.231 -1.614) 20.297 9.593 ( 7.213 6.664 5.143) 11.085 9.984 ( -6.550 2.837 -5.114) 8.781 10.333 ( -1.297 -17.841 1.073) 17.920 10.871 ( 2.141 -2.937 0.144) 3.637 12.870 ( 1.401 4.172 0.098) 4.402 13.432 ( -9.926 11.323 -3.163) 15.386 13.838 ( 12.529 -7.502 2.604) 14.834 14.037 ( -10.251 9.743 0.079) 14.143 14.550 ( 7.680 -12.622 0.904) 14.802 15.788 ( -4.312 -10.522 -0.493) 11.382 19.606 ( -0.008 5.135 -0.015) 5.135======================= Grid point 82 (27/119) =======================q-point: ( 0.33 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 119Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.160 ( -1.471 -2.548 0.000) 2.942 2.160 ( 1.471 2.548 0.000) 2.942 2.811 ( -0.000 -0.000 0.000) 0.000 3.011 ( -0.000 -0.000 0.000) 0.000 3.764 ( -0.000 -0.000 0.000) 0.000 4.324 ( -4.006 -6.939 0.000) 8.013 4.324 ( 4.006 6.939 0.000) 8.013 4.424 ( -5.802 -10.050 0.000) 11.605 4.424 ( 5.802 10.050 0.000) 11.605 4.798 ( -0.000 -0.000 0.000) 0.000 5.747 ( -0.149 -0.259 0.000) 0.299 5.747 ( 0.149 0.259 0.000) 0.299 7.646 ( -2.467 -4.273 0.000) 4.934 7.646 ( 2.467 4.273 0.000) 4.934 8.506 ( -0.000 -0.000 0.000) 0.000 9.532 ( -6.601 -11.433 0.000) 13.202 9.532 ( 6.601 11.433 0.000) 13.202 10.071 ( -3.609 -6.252 0.000) 7.219 10.071 ( 3.609 6.252 0.000) 7.219 10.844 ( -0.000 -0.000 0.000) 0.000 12.911 ( -0.000 -0.000 0.000) 0.000 13.648 ( -5.206 -9.016 0.000) 10.411 13.648 ( 5.206 9.016 0.000) 10.411 14.287 ( -6.798 -11.775 0.000) 13.597 14.287 ( 6.798 11.775 0.000) 13.597 15.679 ( -0.000 -0.000 0.000) 0.000 19.658 ( -0.000 -0.000 0.000) 0.000======================= Grid point 241 (28/119) =======================q-point: ( 0.00 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 119Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.581 ( -0.000 -0.000 26.628) 26.628 0.581 ( -0.000 0.000 26.628) 26.628 0.892 ( 0.000 0.000 42.216) 42.216 1.882 ( 0.000 0.000 -11.590) 11.590 1.882 ( 0.000 0.000 -11.590) 11.590 2.202 ( 0.000 -0.000 2.799) 2.799 2.202 ( 0.000 0.000 2.799) 2.799 3.425 ( -0.000 0.000 -31.358) 31.358 4.878 ( 0.000 0.000 13.398) 13.398 7.083 ( 0.000 0.000 2.676) 2.676 7.083 ( 0.000 -0.000 2.676) 2.676 7.488 ( 0.000 0.000 -7.054) 7.054 7.488 ( 0.000 0.000 -7.054) 7.054 9.464 ( 0.000 -0.000 12.711) 12.711 9.464 ( 0.000 0.000 12.711) 12.711 9.706 ( -0.000 0.000 4.478) 4.478 10.526 ( 0.000 0.000 -0.083) 0.083 10.916 ( 0.000 0.000 -15.237) 15.237 10.916 ( 0.000 -0.000 -15.237) 15.237 11.834 ( 0.000 -0.000 6.882) 6.882 11.834 ( 0.000 0.000 6.882) 6.882 12.309 ( 0.000 -0.000 -3.985) 3.985 15.072 ( 0.000 0.000 -0.091) 0.091 15.072 ( 0.000 -0.000 -0.091) 0.091 15.181 ( -0.000 0.000 1.306) 1.306 19.178 ( -0.000 0.000 -1.915) 1.915 20.877 ( 0.000 0.000 1.329) 1.329======================= Grid point 242 (29/119) =======================q-point: ( 0.07 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 304Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.594 ( 7.159 4.133 19.956) 21.600 0.681 ( 9.800 5.658 18.964) 22.084 1.379 ( 30.077 17.365 28.540) 44.952 1.953 ( 3.078 1.777 -9.760) 10.386 1.972 ( 8.268 4.774 -15.057) 17.829 2.179 ( -0.558 -0.322 3.007) 3.076 2.348 ( 10.961 6.328 3.702) 13.187 3.017 ( -15.650 -9.036 -0.332) 18.074 4.668 ( -8.882 -5.128 6.616) 12.205 6.971 ( -5.831 -3.367 -0.983) 6.805 7.214 ( -13.776 -7.954 -8.643) 18.104 7.618 ( 5.520 3.187 -2.564) 6.870 8.062 ( 34.378 19.848 -43.698) 59.037 9.194 ( -15.563 -8.985 4.699) 18.575 9.344 ( -7.319 -4.225 10.560) 13.525 9.787 ( -2.389 -1.380 9.954) 10.330 10.551 ( 0.851 0.491 -0.099) 0.988 10.755 ( -4.445 -2.566 -13.839) 14.760 10.922 ( -2.049 -1.183 -13.793) 13.995 11.756 ( -5.431 -3.136 6.785) 9.239 11.765 ( -5.935 -3.427 5.664) 8.891 12.413 ( 5.722 3.304 -2.914) 7.221 14.894 ( -12.740 -7.355 4.711) 15.446 15.096 ( 1.864 1.076 -0.049) 2.153 15.384 ( 13.663 7.888 -6.886) 17.214 19.104 ( -5.835 -3.369 -0.466) 6.754 19.995 ( -46.589 -26.898 46.009) 70.787======================= Grid point 243 (30/119) =======================q-point: ( 0.13 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 304Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.855 ( 14.236 8.219 9.938) 19.208 1.009 ( 16.491 9.521 3.109) 19.294 1.937 ( 12.701 7.333 2.390) 14.859 2.020 ( 2.932 1.693 -7.071) 7.840 2.185 ( 1.257 0.726 2.101) 2.554 2.276 ( 21.693 12.524 2.649) 25.188 2.663 ( 15.496 8.947 5.740) 18.792 2.957 ( 8.705 5.026 -4.431) 10.985 4.470 ( -8.623 -4.978 -2.750) 10.329 6.810 ( -8.360 -4.827 -4.275) 10.558 6.937 ( -8.719 -5.034 -1.532) 10.184 7.744 ( 5.473 3.160 2.886) 6.947 8.170 ( -17.287 -9.981 -16.011) 25.589 8.971 ( -8.827 -5.096 -12.699) 16.284 9.123 ( -12.063 -6.964 6.895) 15.542 9.588 ( -9.888 -5.709 6.255) 13.019 10.509 ( -5.287 -3.052 -10.208) 11.894 10.822 ( 8.124 4.690 -6.321) 11.312 10.832 ( -5.471 -3.159 -11.762) 13.351 11.604 ( -7.284 -4.205 6.258) 10.483 11.647 ( -2.641 -1.525 0.850) 3.165 12.486 ( 0.268 0.155 0.014) 0.310 14.575 ( -14.749 -8.516 6.095) 18.089 15.150 ( 2.694 1.555 -0.010) 3.111 15.646 ( 7.762 4.481 -6.961) 11.348 18.930 ( -11.089 -6.402 10.360) 16.471 19.154 ( -26.855 -15.505 26.533) 40.811======================= Grid point 244 (31/119) =======================q-point: ( 0.20 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 304Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.204 ( 15.687 9.057 5.619) 18.966 1.358 ( 12.707 7.336 -3.202) 15.018 2.097 ( 3.950 2.281 -5.406) 7.073 2.113 ( 6.753 3.899 -14.937) 16.850 2.236 ( 3.057 1.765 1.452) 3.817 2.759 ( 15.825 9.136 16.594) 24.684 3.042 ( 17.404 10.048 -2.638) 20.269 3.315 ( 20.560 11.870 -0.319) 23.743 4.319 ( -2.809 -1.622 -6.259) 7.050 6.578 ( -12.137 -7.008 -6.835) 15.593 6.825 ( -2.138 -1.234 6.928) 7.355 7.660 ( -23.632 -13.644 -9.150) 28.782 7.864 ( 4.859 2.805 10.849) 12.214 8.608 ( -19.620 -11.328 -3.080) 22.864 8.787 ( -17.190 -9.925 -0.361) 19.853 9.392 ( -9.850 -5.687 10.087) 15.202 10.340 ( -8.582 -4.955 -21.823) 23.968 10.689 ( -6.468 -3.734 -9.096) 11.770 11.028 ( 8.962 5.174 -3.308) 10.864 11.449 ( -5.646 -3.260 5.368) 8.445 11.684 ( 5.771 3.332 -7.075) 9.719 12.433 ( -4.371 -2.524 0.808) 5.111 14.224 ( -15.606 -9.010 6.130) 19.034 15.211 ( 2.490 1.437 -0.007) 2.875 15.704 ( -3.139 -1.812 -1.573) 3.951 18.399 ( -28.216 -16.291 21.506) 39.039 18.897 ( -2.912 -1.681 -0.087) 3.364======================= Grid point 245 (32/119) =======================q-point: ( 0.27 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 304Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.557 ( 14.753 8.518 4.252) 17.558 1.570 ( 6.322 3.650 -8.925) 11.530 2.203 ( 5.099 2.944 -4.482) 7.400 2.287 ( 7.437 4.294 -14.230) 16.620 2.325 ( 4.814 2.780 1.143) 5.675 2.991 ( 6.601 3.811 16.279) 17.975 3.446 ( 17.918 10.345 -9.483) 22.760 3.808 ( 20.501 11.836 6.062) 24.436 4.401 ( 9.761 5.636 -6.350) 12.937 6.247 ( -16.724 -9.655 -7.535) 20.729 6.744 ( -6.949 -4.012 1.282) 8.126 7.130 ( -23.253 -13.425 -9.721) 28.556 7.951 ( 1.813 1.047 25.982) 26.066 8.273 ( -5.569 -3.215 15.430) 16.717 8.346 ( -20.181 -11.652 -16.201) 28.382 9.092 ( -15.457 -8.924 18.354) 25.602 10.115 ( -11.454 -6.613 -28.721) 31.620 10.558 ( -4.564 -2.635 -7.016) 8.775 11.220 ( 7.284 4.205 -1.360) 8.520 11.363 ( -1.704 -0.984 4.470) 4.884 11.880 ( 10.344 5.972 -12.953) 17.619 12.321 ( -4.405 -2.543 -0.246) 5.092 13.873 ( -14.699 -8.486 4.200) 17.485 15.260 ( 1.732 1.000 -0.029) 2.000 15.510 ( -12.910 -7.453 4.884) 15.686 17.752 ( -28.009 -16.171 10.072) 33.874 18.898 ( 2.489 1.437 0.393) 2.901======================= Grid point 246 (33/119) =======================q-point: ( 0.33 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 304Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.692 ( 5.083 2.935 -12.259) 13.592 1.865 ( 11.676 6.741 3.144) 13.844 2.325 ( 5.516 3.184 -1.879) 6.640 2.402 ( 2.430 1.403 -3.980) 4.870 2.458 ( 6.720 3.880 -0.220) 7.763 3.176 ( 10.674 6.163 8.294) 14.856 3.859 ( 17.641 10.185 -10.826) 23.068 4.198 ( 12.802 7.391 5.975) 15.945 4.698 ( 14.286 8.248 -4.553) 17.113 5.824 ( -19.544 -11.284 -5.257) 23.171 6.500 ( -13.262 -7.657 -10.922) 18.809 6.577 ( -23.750 -13.712 -8.112) 28.599 7.724 ( -22.168 -12.799 8.826) 27.076 8.108 ( 0.862 0.498 -1.172) 1.538 8.389 ( 12.047 6.955 35.368) 38.005 8.754 ( -11.133 -6.428 15.849) 20.407 9.805 ( -15.462 -8.927 -29.740) 34.688 10.486 ( -1.891 -1.092 -7.105) 7.433 11.316 ( 0.262 0.151 4.945) 4.954 11.368 ( 1.900 1.097 4.076) 4.629 12.107 ( 8.147 4.704 -11.950) 15.209 12.300 ( 4.236 2.446 -4.580) 6.701 13.555 ( -13.086 -7.555 -1.464) 15.181 15.175 ( -14.615 -8.438 8.638) 18.958 15.290 ( 0.901 0.520 -0.057) 1.042 17.121 ( -26.813 -15.481 3.977) 31.216 18.988 ( 4.857 2.804 0.505) 5.631======================= Grid point 247 (34/119) =======================q-point: ( 0.40 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 304Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.812 ( 5.014 2.895 -7.371) 9.373 2.072 ( 6.195 3.577 1.355) 7.280 2.433 ( 0.950 0.549 2.188) 2.448 2.450 ( 5.044 2.912 0.151) 5.827 2.629 ( 7.875 4.547 -0.373) 9.101 3.460 ( 12.884 7.438 0.923) 14.906 4.227 ( 13.543 7.819 -6.576) 16.965 4.366 ( 1.533 0.885 0.638) 1.882 4.992 ( 10.515 6.071 -3.100) 12.531 5.396 ( -16.317 -9.421 0.165) 18.843 6.108 ( -15.285 -8.825 -14.286) 22.707 6.196 ( -12.596 -7.272 -2.645) 14.783 7.194 ( -22.244 -12.842 -12.801) 28.698 8.174 ( 4.219 2.436 16.938) 17.625 8.406 ( -6.569 -3.793 12.907) 14.971 8.927 ( 19.462 11.236 30.140) 37.595 9.427 ( -16.072 -9.279 -24.217) 30.510 10.456 ( -1.220 -0.705 -9.310) 9.416 11.246 ( -4.970 -2.870 10.875) 12.296 11.433 ( 3.272 1.889 4.301) 5.724 12.259 ( 6.042 3.488 -5.035) 8.604 12.480 ( 9.196 5.309 -4.543) 11.549 13.275 ( -10.908 -6.297 -8.648) 15.278 14.894 ( -9.755 -5.632 4.034) 11.965 15.303 ( 0.319 0.184 -0.085) 0.378 16.547 ( -22.126 -12.775 2.917) 25.715 19.097 ( 4.215 2.434 0.542) 4.897======================= Grid point 248 (35/119) =======================q-point: ( 0.47 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 304Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.909 ( 3.398 1.962 -0.619) 3.972 2.158 ( 1.572 0.908 0.445) 1.869 2.452 ( 0.498 0.288 2.378) 2.446 2.535 ( 2.046 1.182 0.119) 2.366 2.781 ( 4.175 2.410 0.067) 4.821 3.714 ( 8.282 4.782 -1.343) 9.657 4.224 ( -10.767 -6.216 1.427) 12.514 4.504 ( 8.150 4.706 -7.815) 12.233 5.153 ( -3.147 -1.817 7.466) 8.303 5.158 ( 3.448 1.991 -3.239) 5.132 5.883 ( -4.711 -2.720 -9.945) 11.336 6.000 ( -2.958 -1.708 -1.455) 3.712 6.748 ( -16.052 -9.268 -22.839) 29.414 8.290 ( -5.073 -2.929 2.605) 6.411 8.303 ( 7.156 4.132 22.810) 24.261 8.963 ( -12.644 -7.300 -23.980) 28.075 9.478 ( 16.763 9.678 31.559) 37.022 10.412 ( -2.821 -1.629 -12.264) 12.689 11.159 ( -1.426 -0.823 14.475) 14.568 11.499 ( 2.211 1.276 4.699) 5.348 12.384 ( 4.717 2.724 0.533) 5.473 12.653 ( 3.540 2.044 0.652) 4.139 13.127 ( 1.369 0.790 -8.811) 8.952 14.662 ( -13.026 -7.521 -10.865) 18.555 15.307 ( 0.067 0.039 -0.103) 0.129 16.188 ( -7.048 -4.069 6.059) 10.147 19.168 ( 1.799 1.039 0.620) 2.168======================= Grid point 249 (36/119) =======================q-point: (-0.47 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 304Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.964 ( 0.957 0.553 0.493) 1.211 2.153 ( -1.974 -1.140 0.357) 2.307 2.444 ( -1.068 -0.617 3.400) 3.617 2.538 ( -1.757 -1.014 0.157) 2.034 2.785 ( -3.692 -2.132 0.145) 4.266 3.769 ( -6.886 -3.976 0.442) 7.964 3.964 ( -7.289 -4.208 -9.385) 12.606 4.608 ( 0.585 0.338 -2.044) 2.153 5.131 ( -5.420 -3.129 -3.907) 7.378 5.293 ( 14.969 8.643 13.498) 21.931 5.860 ( 1.635 0.944 -6.872) 7.126 6.099 ( 11.517 6.649 -2.635) 13.557 6.478 ( -7.252 -4.187 -27.510) 28.756 8.081 ( -12.192 -7.039 -4.803) 14.875 8.504 ( 10.288 5.940 24.019) 26.796 8.817 ( -0.052 -0.030 -5.274) 5.274 9.783 ( 9.538 5.507 18.437) 21.476 10.322 ( -4.980 -2.875 -14.779) 15.859 11.205 ( 5.129 2.961 15.440) 16.537 11.524 ( -0.066 -0.038 4.768) 4.768 12.476 ( 1.864 1.076 4.190) 4.711 12.614 ( -2.304 -1.330 -2.193) 3.448 13.411 ( 20.742 11.975 3.410) 24.192 14.237 ( -23.321 -13.464 -23.741) 35.900 15.307 ( -0.049 -0.028 -0.098) 0.113 16.255 ( 11.695 6.752 6.200) 14.860 19.176 ( -1.124 -0.649 0.761) 1.505======================= Grid point 250 (37/119) =======================q-point: (-0.40 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 304Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.908 ( -6.661 -3.846 -5.845) 9.661 2.060 ( -6.300 -3.637 1.009) 7.344 2.436 ( 1.116 0.644 5.627) 5.773 2.471 ( -3.538 -2.043 0.589) 4.128 2.642 ( -8.080 -4.665 -0.066) 9.330 3.471 ( -14.841 -8.569 -1.483) 17.201 3.869 ( -4.092 -2.362 -13.146) 13.970 4.523 ( -8.037 -4.640 2.264) 9.552 4.937 ( -11.002 -6.352 -3.629) 13.212 5.768 ( 24.152 13.944 15.884) 32.094 5.940 ( 4.844 2.797 -10.472) 11.872 6.421 ( 2.376 1.372 -26.919) 27.058 6.469 ( 19.323 11.156 -3.734) 22.622 7.882 ( -2.297 -1.326 3.054) 4.045 8.768 ( 12.435 7.179 22.614) 26.788 8.845 ( 0.836 0.483 13.103) 13.139 9.973 ( 8.383 4.840 0.467) 9.692 10.195 ( -5.756 -3.323 -16.838) 18.102 11.346 ( 5.889 3.400 13.175) 14.826 11.502 ( -1.612 -0.930 4.558) 4.923 12.372 ( -7.326 -4.230 -3.523) 9.164 12.745 ( 10.976 6.337 8.802) 15.430 13.641 ( -25.731 -14.856 -20.676) 36.198 13.981 ( 25.788 14.889 -0.859) 29.790 15.304 ( -0.336 -0.194 -0.080) 0.396 16.649 ( 21.379 12.343 4.081) 25.021 19.121 ( -3.422 -1.976 0.991) 4.074======================= Grid point 251 (38/119) =======================q-point: (-0.33 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 304Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.692 ( -10.358 -5.980 -12.432) 17.251 1.871 ( -9.766 -5.638 2.954) 11.657 2.390 ( -3.808 -2.199 0.018) 4.397 2.435 ( -9.297 -5.368 -1.000) 10.782 2.453 ( -2.161 -1.248 -0.178) 2.502 3.170 ( -9.914 -5.724 4.282) 12.222 3.752 ( -6.225 -3.594 -12.167) 14.132 4.243 ( -16.059 -9.271 5.510) 19.344 4.659 ( -12.375 -7.145 -3.128) 14.628 6.058 ( 5.908 3.411 -13.466) 15.095 6.273 ( 17.145 9.899 4.441) 20.290 6.611 ( 14.689 8.480 -11.528) 20.508 6.954 ( 22.783 13.154 -3.381) 26.523 8.001 ( 10.522 6.075 9.742) 15.573 8.865 ( 2.735 1.579 22.505) 22.725 9.061 ( 12.801 7.391 21.416) 26.022 10.081 ( -3.525 -2.035 -19.777) 20.192 10.191 ( 10.392 6.000 -11.954) 16.938 11.422 ( -0.201 -0.116 9.196) 9.198 11.469 ( -0.817 -0.472 4.489) 4.587 12.209 ( -7.160 -4.134 -7.377) 11.080 12.936 ( -9.579 -5.530 7.912) 13.599 13.199 ( 4.128 2.383 -19.443) 20.019 14.574 ( 24.276 14.016 3.303) 28.225 15.290 ( -0.938 -0.542 -0.064) 1.085 17.195 ( 25.656 14.812 4.732) 30.000 19.032 ( -3.971 -2.292 1.329) 4.774======================= Grid point 252 (39/119) =======================q-point: (-0.27 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 304Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.498 ( -6.197 -3.578 -11.517) 13.559 1.629 ( -11.103 -6.410 6.011) 14.160 2.194 ( -10.044 -5.799 -4.856) 12.574 2.267 ( -12.797 -7.388 -11.600) 18.786 2.333 ( -2.475 -1.429 1.080) 3.055 3.006 ( -7.853 -4.534 11.230) 14.434 3.577 ( -9.367 -5.408 -6.145) 12.439 3.815 ( -20.096 -11.602 7.369) 24.347 4.410 ( -8.069 -4.659 -4.943) 10.547 6.275 ( 14.229 8.215 -6.932) 17.832 6.581 ( 11.744 6.780 -10.009) 16.854 6.982 ( 14.324 8.270 5.754) 17.512 7.488 ( 22.702 13.107 1.240) 26.244 8.232 ( 8.732 5.041 -1.208) 10.154 9.060 ( 14.180 8.187 24.803) 29.720 9.325 ( 9.263 5.348 22.939) 25.310 10.073 ( 3.821 2.206 -24.214) 24.613 10.434 ( 10.624 6.134 -17.272) 21.185 11.325 ( -7.935 -4.581 3.889) 9.954 11.482 ( 2.169 1.252 4.773) 5.390 11.970 ( -15.052 -8.690 -15.743) 23.451 12.623 ( -7.898 -4.560 -2.384) 9.427 13.600 ( 22.018 12.712 4.020) 25.740 15.050 ( 16.501 9.527 -0.074) 19.054 15.259 ( -1.765 -1.019 -0.052) 2.039 17.807 ( 27.295 15.759 9.571) 32.939 18.959 ( -1.962 -1.133 1.671) 2.816======================= Grid point 253 (40/119) =======================q-point: (-0.20 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 304Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.355 ( -8.479 -4.895 -2.586) 10.126 1.367 ( -11.773 -6.797 10.285) 17.047 1.978 ( -10.260 -5.924 -17.687) 21.288 1.985 ( -7.681 -4.435 -7.828) 11.830 2.286 ( -1.637 -0.945 0.876) 2.084 2.683 ( -20.009 -11.552 10.584) 25.413 3.221 ( -21.554 -12.444 3.496) 25.133 3.426 ( -14.166 -8.179 2.658) 16.572 4.351 ( 3.058 1.766 -5.804) 6.794 6.701 ( 21.352 12.327 2.918) 24.827 6.843 ( 11.048 6.379 -9.561) 15.942 7.208 ( 5.480 3.164 5.776) 8.567 7.955 ( 18.349 10.594 5.898) 21.994 8.470 ( 12.661 7.310 -18.543) 23.614 9.401 ( 12.902 7.449 17.028) 22.625 9.462 ( 3.120 1.801 21.242) 21.545 10.267 ( 12.064 6.965 -23.220) 27.078 10.667 ( 8.826 5.096 -18.681) 21.280 11.079 ( -12.935 -7.468 -1.586) 15.020 11.568 ( 5.147 2.972 5.302) 7.965 11.618 ( -11.892 -6.866 -11.276) 17.768 12.550 ( -0.949 -0.548 1.014) 1.493 14.127 ( 23.177 13.381 7.290) 27.738 15.209 ( -2.522 -1.456 -0.045) 2.913 15.310 ( 6.040 3.487 -4.437) 8.266 18.435 ( 27.141 15.670 18.863) 36.579 18.960 ( 2.461 1.421 2.044) 3.501======================= Grid point 254 (41/119) =======================q-point: (-0.13 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 304Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.051 ( -17.334 -10.008 2.351) 20.153 1.088 ( -12.508 -7.221 15.792) 21.400 1.770 ( -13.450 -7.765 1.621) 15.615 1.858 ( -3.245 -1.873 -10.601) 11.243 2.220 ( -14.467 -8.353 -1.154) 16.745 2.256 ( -1.114 -0.643 1.160) 1.733 2.716 ( -21.214 -12.248 4.813) 24.964 3.106 ( -11.969 -6.911 0.241) 13.823 4.490 ( 7.578 4.375 -2.170) 9.016 7.071 ( 8.050 4.648 -2.415) 9.604 7.164 ( 17.462 10.082 4.584) 20.678 7.269 ( 1.190 0.687 -1.939) 2.376 8.369 ( 14.662 8.465 -5.381) 17.765 8.703 ( 5.827 3.364 -28.376) 29.163 9.502 ( 0.839 0.485 17.337) 17.364 9.618 ( 7.444 4.298 8.073) 11.793 10.559 ( 12.198 7.043 -19.162) 23.782 10.724 ( -7.080 -4.087 -14.310) 16.480 10.837 ( -3.549 -2.049 -4.017) 5.739 11.539 ( 4.958 2.863 1.022) 5.816 11.699 ( 5.768 3.330 5.943) 8.926 12.514 ( -2.799 -1.616 -0.332) 3.249 14.632 ( 20.206 11.666 7.990) 24.663 15.147 ( -2.703 -1.561 -0.059) 3.122 15.336 ( -3.204 -1.850 -6.914) 7.842 18.948 ( 11.216 6.476 9.683) 16.171 19.186 ( 24.364 14.067 25.885) 38.230======================= Grid point 255 (42/119) =======================q-point: (-0.07 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 304Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.644 ( -14.997 -8.659 12.547) 21.385 0.802 ( -11.954 -6.902 22.003) 25.974 1.273 ( -24.302 -14.031 29.378) 40.627 1.834 ( 0.889 0.513 -11.967) 12.011 2.059 ( -6.878 -3.971 -13.226) 15.427 2.231 ( -1.152 -0.665 1.935) 2.348 2.308 ( -11.961 -6.906 4.314) 14.469 3.045 ( 11.329 6.541 -0.273) 13.085 4.668 ( 8.397 4.848 6.291) 11.558 7.149 ( -1.149 -0.664 6.655) 6.786 7.348 ( 5.921 3.418 -11.277) 13.188 7.461 ( 7.572 4.372 -2.208) 9.018 8.037 ( -43.193 -24.938 -52.761) 72.604 9.070 ( 22.631 13.066 5.202) 26.645 9.506 ( -0.613 -0.354 14.690) 14.707 9.759 ( 2.268 1.309 7.974) 8.393 10.573 ( -4.035 -2.329 -0.477) 4.683 10.794 ( 7.934 4.581 -16.711) 19.057 10.837 ( 3.888 2.245 -10.955) 11.839 11.721 ( 7.983 4.609 5.679) 10.828 11.809 ( 3.277 1.892 6.547) 7.562 12.411 ( -5.952 -3.436 -3.256) 7.605 15.011 ( 10.966 6.331 4.294) 13.371 15.094 ( -1.804 -1.042 -0.089) 2.085 15.210 ( -5.723 -3.304 -4.366) 7.920 19.109 ( 5.284 3.051 -0.435) 6.117 19.998 ( 46.085 26.607 45.488) 70.007======================= Grid point 257 (43/119) =======================q-point: ( 0.07 0.07 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.894 ( 0.535 20.120 11.424) 23.143 0.926 ( 7.016 16.398 8.038) 19.563 1.750 ( 17.270 15.450 12.313) 26.240 1.922 ( 8.313 0.409 -8.836) 12.139 2.157 ( 6.236 10.147 -7.296) 13.967 2.219 ( -1.537 3.484 2.413) 4.508 2.583 ( 9.937 18.576 4.645) 21.572 2.978 ( -1.641 8.033 -1.117) 8.275 4.530 ( -5.279 -7.972 -0.791) 9.594 6.930 ( -14.382 -7.269 4.412) 16.707 7.156 ( -12.267 2.913 -8.220) 15.051 7.521 ( 11.961 -12.247 -0.743) 17.135 8.355 ( -7.294 1.530 -24.403) 25.516 8.848 ( 2.458 -16.252 -12.109) 20.416 9.376 ( -12.804 1.696 10.986) 16.956 9.666 ( -5.825 -8.646 8.884) 13.697 10.591 ( -4.853 1.482 -10.556) 11.713 10.700 ( 2.673 -5.230 -10.633) 12.147 10.852 ( 2.202 -0.395 -9.946) 10.195 11.604 ( -2.080 -8.976 4.121) 10.094 11.701 ( -5.263 -4.342 5.444) 8.729 12.490 ( 1.212 3.418 -0.546) 3.667 14.750 ( -11.738 -10.140 5.587) 16.487 15.083 ( 1.948 -1.335 0.677) 2.457 15.468 ( 13.954 1.711 -7.289) 15.836 18.996 ( -5.115 -7.429 4.200) 9.949 19.347 ( -19.025 -31.237 36.491) 51.665======================= Grid point 258 (44/119) =======================q-point: ( 0.13 0.07 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.143 ( 7.455 17.765 8.147) 20.918 1.248 ( 10.232 12.703 -0.992) 16.341 1.990 ( 4.440 -1.597 -10.013) 11.069 2.072 ( 9.739 7.301 -9.303) 15.320 2.236 ( 0.638 3.731 1.734) 4.164 2.591 ( 17.787 17.308 12.489) 27.784 2.963 ( 10.189 20.137 4.453) 23.003 3.157 ( 10.336 13.509 -4.322) 17.549 4.356 ( -5.285 -5.809 -5.327) 9.489 6.642 ( -8.606 -10.474 5.307) 14.558 7.005 ( -10.888 6.833 -4.537) 13.632 7.525 ( 4.584 -21.084 0.831) 21.593 8.079 ( -13.905 -2.070 -6.634) 15.545 8.667 ( -5.710 -17.452 -11.648) 21.745 9.078 ( -21.607 -3.528 10.558) 24.306 9.478 ( -7.187 -6.286 8.190) 12.580 10.440 ( -7.930 -6.010 -18.918) 21.375 10.647 ( -1.470 -10.512 -12.195) 16.167 10.956 ( 5.899 5.238 -4.141) 8.910 11.475 ( -3.531 -6.728 5.875) 9.604 11.653 ( 2.262 2.842 -3.210) 4.848 12.491 ( -3.190 0.159 1.446) 3.506 14.435 ( -15.270 -6.628 5.475) 17.524 15.120 ( 5.131 -4.259 0.824) 6.719 15.630 ( 6.155 -5.554 -4.656) 9.508 18.631 ( -20.883 -23.160 25.153) 40.064 18.951 ( -5.424 -3.593 1.030) 6.587======================= Grid point 259 (45/119) =======================q-point: ( 0.20 0.07 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.469 ( 9.552 15.708 5.143) 19.090 1.492 ( 7.870 5.967 -6.563) 11.858 2.076 ( 7.036 1.460 -7.809) 10.612 2.302 ( 3.105 5.206 0.993) 6.142 2.320 ( 5.008 11.994 -11.912) 17.630 2.938 ( 7.424 9.031 15.837) 19.685 3.305 ( 10.847 14.600 -6.499) 19.314 3.587 ( 19.850 14.856 3.603) 25.054 4.310 ( 4.388 1.153 -6.187) 7.672 6.386 ( -9.893 -11.227 0.752) 14.982 6.896 ( -10.780 5.176 -1.493) 12.051 7.239 ( -9.449 -22.423 -3.604) 24.598 7.929 ( -3.401 -2.925 3.752) 5.848 8.424 ( -5.976 -3.393 -3.329) 7.636 8.599 ( -25.748 -8.941 9.229) 28.776 9.231 ( -11.979 -10.996 17.558) 23.931 10.235 ( -9.019 -6.195 -25.776) 28.002 10.488 ( -0.831 -15.044 -9.679) 17.908 11.096 ( 6.935 -0.568 -2.690) 7.460 11.391 ( -1.310 -0.743 5.212) 5.426 11.811 ( 7.478 9.615 -11.378) 16.668 12.404 ( -5.923 -0.041 1.340) 6.073 14.099 ( -17.181 -4.160 5.074) 18.391 15.164 ( 5.756 -6.007 0.665) 8.346 15.554 ( -4.217 -12.760 1.266) 13.499 18.011 ( -23.851 -22.159 13.789) 35.356 18.906 ( -0.374 2.836 0.317) 2.878======================= Grid point 260 (46/119) =======================q-point: ( 0.27 0.07 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.630 ( 5.457 2.999 -10.658) 12.343 1.793 ( 8.961 14.004 2.482) 16.810 2.251 ( 7.796 5.775 -2.805) 10.099 2.405 ( 3.213 5.919 -0.425) 6.748 2.470 ( -0.452 8.945 -6.526) 11.082 3.120 ( 5.642 10.140 11.522) 16.353 3.660 ( 15.989 10.285 -10.852) 21.891 4.036 ( 16.009 10.638 6.213) 20.201 4.519 ( 13.852 5.858 -5.047) 15.864 6.059 ( -16.496 -9.110 -3.358) 19.141 6.673 ( -15.083 -4.281 -12.561) 20.090 6.802 ( -18.551 -16.830 -3.684) 25.317 7.910 ( 2.022 -2.241 26.615) 26.786 8.031 ( -19.642 -18.114 -12.144) 29.349 8.460 ( 0.337 16.372 18.849) 24.969 8.886 ( -13.347 -11.374 18.541) 25.520 9.983 ( -13.461 -6.428 -28.830) 32.460 10.354 ( 4.228 -17.052 -6.537) 18.745 11.186 ( 7.769 -5.592 1.433) 9.678 11.389 ( -0.974 0.839 4.064) 4.262 12.056 ( 7.666 11.255 -14.686) 20.028 12.337 ( -2.877 4.978 -1.592) 5.966 13.775 ( -16.864 -1.900 2.105) 17.100 15.191 ( 4.500 -8.454 1.720) 9.731 15.275 ( -9.201 -14.713 5.780) 18.290 17.384 ( -24.249 -20.488 5.775) 32.267 18.975 ( 2.442 6.374 0.418) 6.838======================= Grid point 261 (47/119) =======================q-point: ( 0.33 0.07 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.758 ( 5.322 4.084 -9.817) 11.890 2.038 ( 5.340 9.730 1.881) 11.257 2.408 ( 3.894 4.020 1.633) 5.830 2.470 ( -1.538 5.531 -1.254) 5.876 2.609 ( 5.374 12.364 -0.631) 13.496 3.359 ( 8.784 11.574 3.666) 14.985 4.036 ( 16.668 7.292 -10.056) 20.787 4.315 ( 7.232 4.170 4.027) 9.268 4.827 ( 14.189 4.469 -3.280) 15.234 5.655 ( -20.392 -6.068 -2.391) 21.410 6.286 ( -17.620 -13.744 -17.516) 28.393 6.381 ( -16.132 -5.147 -0.349) 16.937 7.420 ( -22.848 -17.380 -6.537) 29.442 8.058 ( 8.712 -2.239 16.608) 18.888 8.538 ( -10.570 -1.058 16.976) 20.026 8.808 ( 11.693 17.508 26.440) 33.799 9.647 ( -17.583 -6.530 -27.864) 33.589 10.291 ( 7.883 -17.386 -6.376) 20.127 11.246 ( 3.049 -5.288 6.739) 9.093 11.343 ( 0.865 -5.372 4.402) 6.998 12.259 ( 3.895 10.316 -8.307) 13.806 12.443 ( 4.500 11.111 -7.116) 13.941 13.480 ( -16.191 -0.373 -4.318) 16.761 14.948 ( -7.552 -13.859 8.519) 17.936 15.220 ( 4.861 -7.188 -0.261) 8.681 16.782 ( -22.675 -18.190 2.509) 29.177 19.092 ( 2.488 7.505 0.401) 7.917======================= Grid point 262 (48/119) =======================q-point: ( 0.40 0.07 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.878 ( 3.590 3.782 -3.814) 6.461 2.165 ( 1.142 4.959 1.062) 5.198 2.453 ( 0.083 1.623 1.570) 2.260 2.541 ( 1.270 5.881 0.508) 6.038 2.824 ( 2.023 15.152 0.218) 15.288 3.614 ( 8.895 7.052 -0.106) 11.352 4.309 ( 0.349 -0.641 5.187) 5.239 4.385 ( 7.031 2.532 -11.169) 13.438 5.053 ( 8.455 -0.029 -2.481) 8.812 5.311 ( -13.048 0.078 2.356) 13.259 5.948 ( -8.590 -7.263 -11.542) 16.117 6.094 ( -11.063 -3.260 -0.625) 11.550 6.917 ( -16.919 -13.396 -16.495) 27.162 8.164 ( 6.557 -3.053 17.700) 19.121 8.399 ( -5.538 2.978 5.877) 8.607 9.186 ( -6.894 9.284 -6.075) 13.062 9.349 ( 3.976 5.798 12.986) 14.767 10.262 ( 8.178 -17.107 -7.852) 20.522 11.155 ( -2.512 -6.426 12.843) 14.580 11.379 ( 7.107 -6.701 2.671) 10.127 12.426 ( 2.400 12.241 -3.509) 12.958 12.633 ( 4.166 9.346 -1.162) 10.298 13.231 ( -11.649 1.927 -9.357) 15.065 14.729 ( -5.560 -11.033 -1.337) 12.427 15.230 ( 4.524 -7.084 -0.471) 8.419 16.292 ( -14.208 -12.354 4.033) 19.254 19.192 ( 0.386 6.855 0.432) 6.879======================= Grid point 263 (49/119) =======================q-point: ( 0.47 0.07 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.953 ( 1.595 2.306 0.135) 2.807 2.188 ( -1.863 1.408 0.115) 2.338 2.463 ( -0.984 1.168 1.368) 2.051 2.589 ( -1.919 4.407 1.107) 4.933 2.927 ( -6.438 11.692 0.327) 13.351 3.768 ( 3.435 0.238 -0.539) 3.486 4.108 ( -13.028 -4.539 -3.061) 14.132 4.556 ( 5.757 0.633 -4.389) 7.267 5.104 ( 1.702 -3.404 -1.041) 3.946 5.282 ( 2.409 9.229 7.026) 11.847 5.832 ( 0.304 -2.566 -7.663) 8.087 5.997 ( 2.184 0.608 -1.866) 2.936 6.598 ( -9.694 -3.733 -22.128) 24.445 8.169 ( -2.909 -7.733 5.818) 10.105 8.405 ( 2.255 5.428 9.801) 11.428 8.963 ( -11.439 6.247 -13.206) 18.555 9.683 ( 10.769 9.562 24.055) 28.036 10.220 ( 5.608 -15.636 -9.389) 19.081 11.117 ( 4.724 -3.457 15.287) 16.369 11.411 ( 5.505 -9.177 2.722) 11.042 12.580 ( -0.001 15.339 2.239) 15.502 12.678 ( -6.343 0.772 -1.049) 6.475 13.258 ( 9.482 11.808 -2.914) 15.422 14.434 ( -15.510 -15.043 -16.352) 27.097 15.233 ( 4.073 -7.291 -0.545) 8.369 16.137 ( 4.917 -1.112 6.729) 8.408 19.233 ( -2.633 5.222 0.523) 5.872======================= Grid point 265 (50/119) =======================q-point: (-0.47 0.07 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.956 ( -2.965 -1.837 -2.524) 4.305 2.144 ( -3.835 0.928 0.634) 3.996 2.430 ( -2.875 -0.786 2.562) 3.931 2.569 ( -4.757 4.393 1.907) 6.751 2.841 ( -13.212 6.596 0.669) 14.782 3.654 ( -12.898 -5.299 0.074) 13.945 3.919 ( -4.928 -1.674 -12.010) 13.090 4.571 ( -2.379 -3.759 0.404) 4.468 5.012 ( -6.006 -8.027 -3.331) 10.564 5.574 ( 14.769 15.207 12.448) 24.583 5.901 ( 7.137 5.275 -6.099) 10.769 6.153 ( 13.514 -0.984 -9.139) 16.344 6.533 ( -0.416 10.032 -19.839) 22.236 7.971 ( -8.574 -2.949 0.269) 9.071 8.564 ( 10.962 1.354 16.203) 19.610 8.936 ( -3.723 8.848 6.372) 11.522 9.883 ( 7.061 3.488 7.264) 10.713 10.143 ( 2.203 -13.010 -10.912) 17.123 11.233 ( 9.373 -0.170 14.618) 17.366 11.387 ( 4.358 -12.202 2.680) 13.231 12.507 ( -10.721 -1.121 -3.188) 11.241 12.765 ( 2.620 17.790 6.445) 19.102 13.699 ( 22.112 16.378 7.293) 28.467 13.918 ( -23.127 -18.088 -26.890) 39.814 15.228 ( 4.105 -7.714 -0.309) 8.744 16.391 ( 19.173 6.564 4.844) 20.837 19.205 ( -5.400 3.249 0.684) 6.339======================= Grid point 266 (51/119) =======================q-point: (-0.40 0.07 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.801 ( -9.167 -5.893 -8.704) 13.947 2.046 ( -10.953 2.175 1.032) 11.215 2.380 ( -0.093 -3.057 2.385) 3.879 2.532 ( -5.014 4.761 1.718) 7.125 2.632 ( -15.080 1.606 0.479) 15.173 3.355 ( -15.351 -2.330 0.044) 15.527 3.817 ( -5.084 -2.672 -13.202) 14.398 4.397 ( -11.232 -7.586 3.988) 14.128 4.772 ( -10.478 -9.795 -3.145) 14.684 5.885 ( 11.109 0.371 -3.018) 11.517 6.232 ( 10.098 20.158 1.929) 22.629 6.406 ( 18.640 3.910 -12.462) 22.761 6.787 ( 12.830 16.498 -11.647) 23.925 7.944 ( 3.830 7.217 9.214) 12.314 8.771 ( 11.482 -1.777 18.432) 21.789 8.955 ( 0.273 4.130 18.915) 19.363 10.030 ( 5.266 -7.900 -13.041) 16.131 10.080 ( 5.680 1.330 -8.913) 10.653 11.329 ( 5.054 -13.710 4.457) 15.277 11.382 ( 6.033 -0.333 9.544) 11.296 12.318 ( -9.213 -1.668 -5.523) 10.870 13.015 ( 2.023 16.216 13.995) 21.515 13.349 ( -19.250 -11.126 -27.971) 35.732 14.282 ( 25.360 14.864 4.630) 29.757 15.220 ( 3.908 -7.870 -0.162) 8.788 16.867 ( 25.935 9.219 3.663) 27.767 19.121 ( -6.773 1.497 0.936) 7.000======================= Grid point 267 (52/119) =======================q-point: (-0.33 0.07 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.589 ( -8.379 -3.634 -12.091) 15.152 1.824 ( -15.021 0.059 3.269) 15.373 2.320 ( -7.636 -4.385 -2.781) 9.234 2.382 ( -8.706 -0.483 0.552) 8.737 2.458 ( -10.012 1.525 -4.192) 10.961 3.127 ( -9.953 0.428 6.940) 12.141 3.684 ( -7.523 -2.850 -9.715) 12.614 4.045 ( -18.731 -10.136 6.489) 22.264 4.496 ( -9.746 -8.680 -3.769) 13.584 6.067 ( 12.354 0.300 -6.291) 13.867 6.511 ( 8.792 10.474 -10.371) 17.162 6.854 ( 15.411 15.376 4.009) 22.136 7.249 ( 20.835 15.944 -6.659) 27.067 8.158 ( 7.457 8.632 7.478) 13.640 8.909 ( 9.233 2.804 24.881) 26.686 9.110 ( 14.558 -3.581 20.334) 25.263 9.999 ( 3.846 -5.001 -19.110) 20.125 10.292 ( 11.485 3.725 -15.918) 19.979 11.282 ( 5.529 -14.459 3.260) 15.820 11.419 ( -0.669 -1.098 5.695) 5.838 12.138 ( -11.008 -3.329 -11.051) 15.950 12.755 ( -15.544 -9.527 -5.716) 19.107 13.500 ( 12.056 22.781 1.294) 25.807 14.817 ( 20.847 9.993 2.613) 23.265 15.210 ( 3.625 -6.516 -0.143) 7.458 17.440 ( 29.317 9.438 6.097) 31.397 19.019 ( -5.654 0.408 1.255) 5.806======================= Grid point 268 (53/119) =======================q-point: (-0.27 0.07 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.449 ( -6.455 -1.510 -8.046) 10.425 1.552 ( -15.121 -2.220 7.320) 16.946 2.072 ( -10.593 -5.175 -8.157) 14.336 2.216 ( -15.872 1.392 -11.887) 19.879 2.321 ( -3.545 -0.128 1.349) 3.795 2.929 ( -15.138 -2.817 10.415) 18.589 3.478 ( -15.460 -4.112 -2.324) 16.165 3.594 ( -18.531 -10.804 5.763) 22.212 4.321 ( -1.597 -3.781 -5.883) 7.173 6.363 ( 20.077 2.008 1.943) 20.271 6.786 ( 10.513 12.264 -10.017) 19.008 7.160 ( 6.866 7.282 4.902) 11.144 7.752 ( 19.095 12.761 -1.378) 23.008 8.329 ( 7.949 4.133 -7.110) 11.438 9.207 ( 16.976 5.927 23.117) 29.287 9.289 ( 12.492 -8.952 21.836) 26.703 10.114 ( 11.083 2.721 -22.351) 25.096 10.523 ( 11.724 2.001 -19.663) 22.980 11.169 ( -5.020 -11.267 -1.142) 12.388 11.415 ( 4.604 -3.556 4.349) 7.263 11.840 ( -16.313 -3.941 -13.094) 21.286 12.560 ( -2.147 -2.522 1.343) 3.574 13.973 ( 16.021 21.437 5.548) 27.332 15.093 ( 6.504 -5.833 0.299) 8.741 15.291 ( 7.731 6.610 -1.922) 10.351 18.048 ( 30.814 8.117 12.912) 34.382 18.954 ( -1.592 0.028 1.434) 2.143======================= Grid point 269 (54/119) =======================q-point: (-0.20 0.07 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.235 ( -14.590 -5.602 7.510) 17.339 1.275 ( -14.951 -4.126 3.366) 15.871 1.920 ( -4.957 1.299 -12.649) 13.648 1.981 ( -12.025 2.728 -10.376) 16.115 2.266 ( -2.274 -1.366 1.710) 3.156 2.538 ( -25.222 -2.126 9.383) 26.995 3.029 ( -24.995 -6.188 5.290) 26.287 3.249 ( -13.776 -8.896 -0.956) 16.427 4.372 ( 7.843 0.170 -5.029) 9.318 6.710 ( 19.082 -3.977 7.021) 20.718 7.118 ( 11.617 9.365 -9.411) 17.642 7.268 ( 2.586 5.254 4.614) 7.455 8.138 ( 16.417 5.277 -1.140) 17.282 8.575 ( 14.049 4.034 -20.029) 24.796 9.366 ( 8.828 -10.684 17.682) 22.466 9.496 ( 10.702 1.797 12.256) 16.370 10.394 ( 14.281 6.031 -19.775) 25.127 10.692 ( 6.083 -3.907 -20.816) 22.036 10.942 ( -9.476 -3.311 -1.496) 10.148 11.478 ( 5.158 -2.077 2.524) 6.106 11.644 ( -2.259 0.882 -0.695) 2.523 12.533 ( -0.436 -1.356 1.617) 2.155 14.435 ( 16.829 12.453 6.431) 21.901 15.085 ( 1.784 -5.610 0.480) 5.907 15.450 ( -0.115 8.714 -5.571) 10.343 18.646 ( 29.950 5.130 23.134) 38.190 18.982 ( 5.906 0.087 2.547) 6.432======================= Grid point 274 (55/119) =======================q-point: ( 0.13 0.13 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.441 ( 5.276 7.139 -6.012) 10.721 1.505 ( 6.652 17.102 6.879) 19.597 2.022 ( 4.049 6.681 -8.510) 11.552 2.277 ( 10.401 11.061 -9.861) 18.105 2.320 ( 3.117 5.425 -0.245) 6.262 2.909 ( 8.877 13.941 11.561) 20.169 3.387 ( 0.650 19.197 -0.286) 19.210 3.455 ( 13.234 17.491 1.022) 21.957 4.279 ( -0.669 -0.689 -5.834) 5.912 6.392 ( -7.359 -14.889 6.738) 17.923 7.014 ( 1.808 -13.015 -1.307) 13.205 7.185 ( -7.585 -5.391 -4.101) 10.169 7.933 ( -3.491 -13.831 -7.701) 16.210 8.401 ( -0.586 -7.946 -6.620) 10.359 8.993 ( -24.681 -4.310 18.808) 31.329 9.277 ( -7.681 -14.315 19.828) 25.633 10.206 ( -1.594 -15.253 -17.999) 23.647 10.478 ( -10.675 -7.822 -21.847) 25.542 11.022 ( 0.006 1.476 -1.727) 2.272 11.392 ( -0.405 -1.061 4.942) 5.071 11.799 ( 6.267 11.919 -10.511) 17.082 12.499 ( -3.899 1.218 2.622) 4.854 14.254 ( -4.894 -12.707 5.196) 14.575 15.021 ( 0.425 -4.620 1.356) 4.834 15.440 ( 0.911 -13.416 -2.023) 13.598 18.119 ( -17.029 -27.465 14.825) 35.555 18.942 ( -0.328 2.208 0.729) 2.348======================= Grid point 275 (56/119) =======================q-point: ( 0.20 0.13 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.574 ( 4.875 4.142 -9.758) 11.668 1.811 ( 7.766 17.100 2.516) 18.949 2.206 ( 6.465 10.632 -3.129) 12.831 2.404 ( 3.836 5.666 1.910) 7.104 2.545 ( 3.927 9.083 -7.231) 12.256 3.147 ( 6.048 12.695 9.276) 16.847 3.576 ( 5.445 12.160 -9.213) 16.198 3.883 ( 15.098 14.503 5.292) 21.594 4.372 ( 8.417 5.000 -4.521) 10.783 6.142 ( -6.613 -12.616 1.292) 14.302 6.822 ( -8.247 -19.692 -4.464) 21.811 6.954 ( -14.203 -0.928 -7.073) 15.894 7.783 ( 2.686 -9.708 -1.458) 10.177 8.278 ( -16.993 -11.243 -0.085) 20.376 8.620 ( -7.026 8.837 20.291) 23.220 8.971 ( -10.596 -13.672 22.912) 28.708 10.043 ( 0.131 -15.076 -14.563) 20.961 10.199 ( -10.959 -10.226 -20.857) 25.684 11.017 ( 3.625 -5.448 1.083) 6.633 11.403 ( -0.334 -0.035 3.460) 3.476 12.051 ( 7.311 13.577 -15.233) 21.676 12.459 ( -3.869 6.705 -0.092) 7.742 14.018 ( -11.594 -5.137 4.622) 13.498 14.999 ( 4.708 -9.440 1.565) 10.664 15.226 ( -5.544 -19.484 3.293) 20.523 17.538 ( -19.749 -25.038 7.010) 32.651 19.008 ( 2.196 7.129 0.449) 7.473======================= Grid point 276 (57/119) =======================q-point: ( 0.27 0.13 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.711 ( 5.491 5.348 -9.779) 12.425 2.076 ( 4.241 13.692 1.329) 14.395 2.381 ( 4.426 4.427 1.444) 6.424 2.565 ( 0.616 9.340 -1.275) 9.447 2.659 ( 4.336 13.433 -0.055) 14.116 3.393 ( 4.677 16.060 4.554) 17.336 3.837 ( 13.228 7.568 -11.697) 19.212 4.216 ( 10.219 7.347 4.741) 13.449 4.620 ( 13.576 4.019 -3.093) 14.493 5.879 ( -12.453 -8.946 -1.986) 15.461 6.418 ( -14.995 -16.969 -13.572) 26.400 6.630 ( -17.977 -6.945 -2.628) 19.450 7.682 ( -24.017 -14.422 -9.102) 29.456 7.877 ( 6.796 -2.405 20.018) 21.277 8.677 ( -7.914 -8.401 14.534) 18.559 8.832 ( 6.984 20.018 23.252) 31.467 9.876 ( -13.805 -3.959 -25.758) 29.491 9.941 ( 5.475 -22.882 -4.874) 24.028 11.061 ( 7.944 -6.369 2.895) 10.585 11.329 ( -4.339 -6.874 5.635) 9.891 12.287 ( 5.495 11.130 -11.358) 16.825 12.536 ( 0.194 14.870 -8.162) 16.964 13.770 ( -14.600 0.702 0.974) 14.649 14.883 ( -5.167 -19.471 9.135) 22.120 15.024 ( 5.802 -11.961 0.126) 13.295 16.954 ( -20.430 -22.393 2.593) 30.423 19.139 ( 2.672 9.610 0.220) 9.977======================= Grid point 277 (58/119) =======================q-point: ( 0.33 0.13 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.855 ( 4.490 5.405 -6.161) 9.346 2.208 ( 0.256 5.840 2.046) 6.194 2.479 ( 1.317 4.687 0.759) 4.927 2.615 ( -1.425 8.777 0.207) 8.894 2.957 ( 5.575 21.381 0.479) 22.101 3.596 ( 2.796 11.360 1.479) 11.792 4.147 ( 14.737 4.047 -7.643) 17.087 4.366 ( 2.054 1.272 1.174) 2.686 4.869 ( 12.116 -0.294 -2.124) 12.304 5.542 ( -15.942 -6.612 -2.138) 17.390 6.032 ( -11.742 -11.567 -11.588) 20.149 6.267 ( -13.447 -8.963 1.178) 16.203 7.136 ( -23.246 -7.542 -9.409) 26.188 8.010 ( 8.361 -3.623 15.181) 17.706 8.528 ( -5.244 2.756 5.709) 8.227 9.220 ( 12.878 19.471 25.917) 34.881 9.558 ( -17.688 -2.022 -23.256) 29.288 9.875 ( 11.283 -21.771 -3.158) 24.724 11.117 ( 0.461 -8.132 9.801) 12.744 11.174 ( 3.478 -10.373 2.932) 11.326 12.480 ( 4.662 10.864 -6.613) 13.546 12.710 ( 1.245 15.340 -7.672) 17.197 13.527 ( -16.547 4.974 -5.111) 18.018 14.643 ( -1.062 -16.505 7.505) 18.162 15.030 ( 7.437 -11.286 -0.874) 13.545 16.416 ( -17.315 -18.172 2.134) 25.191 19.270 ( 0.850 9.828 0.123) 9.865======================= Grid point 278 (59/119) =======================q-point: ( 0.40 0.13 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.957 ( 1.758 4.031 -2.196) 4.916 2.230 ( -1.132 1.117 0.848) 1.802 2.515 ( -1.953 4.805 -1.014) 5.285 2.687 ( -1.693 8.753 2.353) 9.220 3.198 ( -4.148 21.415 0.312) 21.816 3.713 ( 2.937 2.768 0.257) 4.044 4.269 ( -7.749 -2.071 2.347) 8.357 4.429 ( 9.436 1.223 -7.606) 12.181 5.006 ( 6.153 -4.547 -1.963) 7.899 5.306 ( -2.435 -2.996 0.759) 3.935 5.817 ( -3.397 -5.804 -8.174) 10.585 6.029 ( -5.258 -4.542 2.804) 7.493 6.774 ( -14.859 1.937 -13.726) 20.321 8.064 ( 3.954 -6.507 11.233) 13.571 8.526 ( -4.100 9.832 -0.588) 10.669 9.257 ( -14.679 1.744 -16.879) 22.437 9.579 ( 10.787 5.341 15.918) 19.957 9.902 ( 11.375 -11.499 3.899) 16.638 10.989 ( 1.613 -10.094 14.098) 17.414 11.206 ( 6.713 -9.729 1.600) 11.928 12.651 ( 3.177 7.956 -5.354) 10.102 12.857 ( -2.233 14.194 1.815) 14.483 13.363 ( -8.196 11.479 -6.480) 15.522 14.457 ( -4.950 -16.076 -4.771) 17.484 15.042 ( 6.713 -11.548 -1.951) 13.499 16.075 ( -3.821 -9.216 5.366) 11.329 19.351 ( -2.341 8.531 0.133) 8.847======================= Grid point 279 (60/119) =======================q-point: (-0.53 0.13 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.988 ( -1.584 0.815 -1.599) 2.394 2.205 ( -2.067 0.887 0.269) 2.265 2.508 ( -4.131 3.328 -0.702) 5.351 2.712 ( -4.661 7.510 3.279) 9.428 3.199 ( -15.734 13.963 0.411) 21.040 3.750 ( -1.371 -0.274 1.075) 1.764 4.049 ( -12.079 -2.058 -7.200) 14.212 4.536 ( 2.699 -2.382 -1.118) 3.769 4.990 ( -0.736 -8.186 -2.270) 8.527 5.443 ( 15.581 4.768 4.407) 16.879 5.790 ( 5.106 -1.219 -7.108) 8.836 6.014 ( 5.101 0.938 0.259) 5.193 6.673 ( -5.171 12.294 -14.827) 19.943 8.021 ( -1.086 -6.367 6.499) 9.163 8.538 ( -3.949 7.560 0.795) 8.566 9.128 ( -7.188 8.891 -3.906) 12.082 9.705 ( 11.659 -14.176 0.430) 18.360 9.983 ( 2.797 -0.639 8.776) 9.233 11.024 ( 11.080 -5.658 15.300) 19.719 11.189 ( 3.928 -11.927 1.121) 12.607 12.661 ( -7.070 -0.530 -5.373) 8.896 12.962 ( -2.065 20.397 6.116) 21.394 13.558 ( 12.073 17.135 -1.590) 21.021 14.089 ( -17.119 -18.650 -14.693) 29.271 15.031 ( 6.370 -12.585 -1.433) 14.178 16.134 ( 14.264 0.447 5.681) 15.360 19.355 ( -5.769 6.385 0.217) 8.608======================= Grid point 280 (61/119) =======================q-point: (-0.47 0.13 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.895 ( -7.284 -3.519 -5.439) 9.748 2.207 ( -1.749 4.847 1.499) 5.367 2.418 ( -7.803 -0.436 0.724) 7.849 2.688 ( -5.964 6.463 3.089) 9.321 2.975 ( -20.151 5.207 1.012) 20.837 3.615 ( -14.063 1.818 0.002) 14.180 3.886 ( -5.593 -1.048 -12.431) 13.671 4.474 ( -5.338 -5.604 2.348) 8.088 4.823 ( -7.012 -10.507 -2.700) 12.917 5.734 ( 9.748 2.288 -0.577) 10.030 6.070 ( 23.315 4.129 -8.111) 25.029 6.203 ( 12.609 9.903 1.909) 16.146 6.822 ( 3.380 19.127 -13.585) 23.703 7.971 ( 0.681 1.923 8.678) 8.915 8.583 ( 4.886 0.425 7.195) 8.708 9.090 ( -8.251 6.144 12.066) 15.856 9.758 ( 12.328 -16.066 -5.942) 21.105 10.010 ( 2.770 0.539 -2.274) 3.624 11.109 ( 3.162 -13.240 2.685) 13.875 11.211 ( 12.329 -2.461 11.210) 16.844 12.486 ( -10.884 -0.529 -5.738) 12.315 13.186 ( 1.649 22.326 10.161) 24.585 13.545 ( -20.054 -18.668 -26.167) 37.886 14.037 ( 20.228 17.138 7.669) 27.599 15.019 ( 6.855 -12.789 -0.588) 14.522 16.501 ( 23.996 4.120 3.343) 24.576 19.283 ( -8.336 3.953 0.370) 9.233======================= Grid point 281 (62/119) =======================q-point: (-0.40 0.13 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.710 ( -9.252 -2.921 -9.556) 13.618 2.118 ( -15.779 3.908 1.172) 16.298 2.330 ( 0.422 -1.799 1.111) 2.156 2.634 ( -7.101 4.034 0.417) 8.177 2.646 ( -19.655 0.315 1.393) 19.707 3.373 ( -15.793 2.931 -0.005) 16.063 3.783 ( -6.373 -0.366 -11.198) 12.889 4.242 ( -13.840 -7.430 5.128) 16.524 4.578 ( -9.530 -8.474 -3.133) 13.131 5.895 ( 8.689 1.083 -4.477) 9.835 6.393 ( 14.566 3.462 -9.609) 17.790 6.697 ( 21.547 13.455 3.308) 25.617 7.146 ( 10.882 20.796 -11.399) 26.092 8.115 ( 8.783 7.394 12.501) 16.973 8.711 ( 12.530 -4.596 13.463) 18.957 8.972 ( -5.848 -1.576 21.678) 22.508 9.812 ( 9.880 -10.148 -9.757) 17.199 10.126 ( 9.465 0.415 -14.595) 17.401 11.039 ( 4.320 -12.231 1.978) 13.121 11.368 ( 6.731 -1.227 7.735) 10.327 12.299 ( -10.431 -0.418 -8.302) 13.338 12.961 ( -20.902 -13.052 -12.104) 27.454 13.552 ( 8.759 21.036 3.020) 22.986 14.560 ( 21.455 13.019 5.177) 25.624 15.018 ( 7.487 -11.428 -0.025) 13.662 17.003 ( 28.885 4.280 3.337) 29.391 19.158 ( -8.961 1.709 0.595) 9.142======================= Grid point 282 (63/119) =======================q-point: (-0.33 0.13 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.553 ( -6.852 -0.186 -10.584) 12.610 1.834 ( -18.148 -0.017 3.345) 18.454 2.238 ( -11.977 -3.249 -3.840) 12.990 2.388 ( -6.834 0.801 2.481) 7.315 2.514 ( -12.263 3.311 -6.256) 14.159 3.146 ( -12.933 0.851 6.272) 14.399 3.642 ( -9.063 -2.315 -7.972) 12.290 3.871 ( -20.957 -5.746 6.298) 22.624 4.359 ( -7.626 -3.782 -4.285) 9.530 6.098 ( 13.542 2.612 -0.449) 13.799 6.695 ( 13.589 8.438 -4.436) 16.599 7.065 ( 11.370 2.840 -2.759) 12.040 7.569 ( 15.927 14.828 -8.686) 23.431 8.299 ( 3.622 4.622 4.540) 7.423 8.908 ( 14.865 -14.262 17.877) 27.276 8.970 ( 12.824 1.400 27.346) 30.236 9.939 ( 11.451 0.453 -15.359) 19.163 10.307 ( 12.391 -3.034 -20.904) 24.490 11.024 ( 5.031 -7.845 1.284) 9.408 11.406 ( -0.735 -0.269 3.909) 3.986 12.079 ( -14.742 -2.336 -14.124) 20.549 12.594 ( -8.195 -7.033 -1.769) 10.943 13.931 ( 12.267 16.481 5.331) 21.226 14.928 ( 8.820 0.428 1.798) 9.012 15.131 ( 15.537 1.969 0.588) 15.672 17.560 ( 31.418 2.496 7.075) 32.301 19.027 ( -6.767 -0.068 0.813) 6.816======================= Grid point 290 (64/119) =======================q-point: ( 0.20 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.685 ( 4.399 7.107 -9.557) 12.696 2.139 ( 6.555 15.762 1.081) 17.105 2.337 ( 2.991 0.363 1.031) 3.185 2.618 ( 6.825 15.336 0.947) 16.813 2.695 ( 5.139 8.299 0.254) 9.765 3.426 ( 10.012 14.279 0.673) 17.453 3.780 ( 4.183 8.403 -10.352) 13.974 4.150 ( 6.876 12.326 5.076) 14.999 4.497 ( 5.663 7.160 -2.984) 9.604 5.920 ( -4.591 -9.417 -2.718) 10.824 6.448 ( -8.799 -17.873 -7.368) 21.240 6.792 ( -12.864 -16.570 -4.403) 21.434 7.555 ( 12.739 -13.231 -3.568) 18.710 8.079 ( -20.012 -8.353 9.477) 23.665 8.656 ( -2.806 -7.478 11.486) 13.989 8.923 ( 2.875 12.082 25.433) 28.304 9.722 ( -5.175 -14.966 -6.802) 17.234 10.061 ( -10.936 -5.060 -21.345) 24.511 10.928 ( 0.222 -2.803 2.626) 3.848 11.343 ( -4.874 -6.308 5.852) 9.889 12.295 ( 5.825 10.425 -11.036) 16.260 12.718 ( -1.371 19.405 -10.710) 22.207 13.862 ( 1.363 -10.723 6.078) 12.401 14.800 ( 0.478 -20.888 4.013) 21.275 14.842 ( -8.125 -7.556 2.099) 11.292 17.033 ( -16.216 -25.435 2.939) 30.307 19.172 ( 4.494 8.866 0.275) 9.943======================= Grid point 291 (65/119) =======================q-point: ( 0.27 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.835 ( 4.596 6.772 -6.563) 10.491 2.265 ( -1.402 2.976 1.969) 3.834 2.476 ( 6.630 8.046 0.814) 10.458 2.736 ( -1.238 8.428 0.459) 8.530 3.025 ( 10.573 20.979 1.568) 23.545 3.703 ( 3.509 14.225 0.722) 14.669 3.967 ( 9.694 5.711 -10.115) 15.129 4.331 ( 4.107 4.569 2.920) 6.802 4.672 ( 9.243 1.233 -1.943) 9.525 5.698 ( -11.511 -10.104 -3.851) 15.793 6.102 ( -10.883 -14.691 -9.137) 20.440 6.344 ( -13.869 -20.959 -0.438) 25.136 7.535 ( -19.364 -0.986 -5.267) 20.092 7.784 ( 8.060 -6.721 12.386) 16.234 8.600 ( -0.037 1.532 4.661) 4.906 9.207 ( 8.019 14.692 18.647) 25.058 9.506 ( 3.423 -18.439 1.330) 18.801 9.837 ( -12.442 0.359 -19.799) 23.387 10.953 ( 5.638 -4.058 3.614) 7.830 11.132 ( -7.607 -12.505 8.951) 17.157 12.492 ( 5.515 9.542 -7.954) 13.592 12.893 ( -2.081 20.143 -13.676) 24.436 13.778 ( -4.971 -0.454 1.584) 5.237 14.500 ( -5.091 -18.156 8.553) 20.705 14.783 ( 6.159 -11.710 0.168) 13.232 16.512 ( -16.475 -21.561 1.446) 27.174 19.336 ( 3.260 9.687 -0.045) 10.221======================= Grid point 292 (66/119) =======================q-point: ( 0.33 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.964 ( 3.005 5.362 -3.657) 7.152 2.248 ( -1.068 -0.802 1.519) 2.022 2.607 ( -0.621 7.059 -1.899) 7.337 2.809 ( -1.110 10.105 2.547) 10.480 3.401 ( 7.353 21.781 0.682) 22.999 3.795 ( -5.955 9.055 0.641) 10.857 4.209 ( 11.899 2.631 -4.004) 12.828 4.380 ( -1.112 0.315 -0.974) 1.511 4.815 ( 9.015 -5.201 -1.422) 10.505 5.337 ( -11.870 -14.985 -3.297) 19.399 5.835 ( -6.393 -7.897 -6.961) 12.316 6.009 ( -3.939 -14.295 1.510) 14.904 7.181 ( -22.768 10.457 -4.826) 25.515 7.903 ( 8.767 -6.687 9.000) 14.233 8.679 ( 0.280 12.201 -3.326) 12.650 9.210 ( 4.293 -19.983 0.094) 20.439 9.596 ( -4.466 -4.808 -13.700) 15.190 9.743 ( 6.001 17.647 15.724) 24.386 10.883 ( -3.968 -14.441 12.979) 19.818 11.011 ( 5.996 -6.031 3.120) 9.058 12.663 ( 4.025 7.325 -7.224) 11.047 13.040 ( -2.157 17.508 -5.233) 18.401 13.674 ( -11.437 9.590 -4.837) 15.690 14.307 ( 1.392 -16.806 5.749) 17.817 14.789 ( 8.035 -12.862 -2.147) 15.317 16.081 ( -10.496 -15.051 3.113) 18.612 19.460 ( 0.164 8.772 -0.177) 8.775======================= Grid point 293 (67/119) =======================q-point: ( 0.40 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.029 ( -0.791 2.911 -2.029) 3.636 2.224 ( -0.279 -1.089 0.336) 1.173 2.627 ( -3.785 5.831 -2.847) 7.512 2.866 ( -3.570 8.402 3.616) 9.819 3.629 ( -13.601 19.448 -0.290) 23.734 3.744 ( 1.996 2.518 1.017) 3.370 4.236 ( -10.100 -1.517 -1.488) 10.322 4.435 ( 7.114 -0.306 -2.601) 7.581 4.864 ( 5.127 -9.761 -1.418) 11.116 5.173 ( 10.064 -9.110 -1.357) 13.643 5.727 ( 0.247 -2.925 -6.103) 6.772 5.910 ( 3.846 -6.608 1.663) 7.824 7.005 ( -14.352 19.158 -5.884) 24.650 7.930 ( 2.880 -6.726 6.571) 9.835 8.765 ( -7.770 12.749 -6.139) 16.143 9.159 ( 12.087 -15.915 -0.086) 19.984 9.433 ( -5.145 -3.964 -13.038) 14.566 10.003 ( 2.428 9.917 16.183) 19.134 10.769 ( 7.500 -11.359 15.175) 20.385 11.026 ( 3.448 -7.704 2.834) 8.904 12.741 ( -1.565 2.249 -7.352) 7.846 13.182 ( -1.202 17.473 3.804) 17.922 13.658 ( -3.415 16.704 -5.067) 17.786 14.115 ( -6.282 -17.241 -3.705) 18.720 14.781 ( 6.786 -14.482 -3.545) 16.381 15.930 ( 5.902 -5.489 5.518) 9.768 19.507 ( -3.760 6.720 -0.185) 7.702======================= Grid point 295 (68/119) =======================q-point: (-0.53 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.982 ( -5.503 -1.015 -3.298) 6.495 2.233 ( 1.237 1.590 1.142) 2.315 2.585 ( -7.556 3.985 -1.770) 8.724 2.852 ( -5.907 5.519 3.711) 8.895 3.395 ( -21.534 4.591 0.610) 22.026 3.834 ( -4.828 8.634 1.773) 10.049 4.016 ( -10.956 -0.651 -9.237) 14.345 4.474 ( -0.220 -3.592 1.214) 3.798 4.794 ( -1.278 -10.345 -1.863) 10.589 5.463 ( 24.034 -1.680 -1.471) 24.138 5.796 ( 9.622 1.842 -6.054) 11.516 6.005 ( 12.704 -2.197 0.551) 12.904 7.061 ( -5.214 24.571 -5.843) 25.789 7.905 ( 3.298 -6.733 7.154) 10.363 8.675 ( -10.464 5.489 -4.532) 12.656 9.262 ( 8.265 -3.672 3.222) 9.601 9.365 ( 2.342 -6.476 -3.276) 7.625 10.013 ( -3.364 -0.383 4.650) 5.752 10.911 ( 15.377 -4.900 14.815) 21.908 10.983 ( 1.704 -7.769 2.022) 8.206 12.656 ( -8.511 0.099 -7.009) 11.026 13.363 ( 1.893 18.091 5.577) 19.026 13.671 ( -14.895 -14.552 -18.642) 27.949 13.959 ( 7.953 15.065 7.344) 18.551 14.757 ( 7.416 -14.096 -1.762) 16.025 16.139 ( 19.656 -0.280 3.821) 20.026 19.464 ( -7.422 4.113 -0.102) 8.486======================= Grid point 296 (69/119) =======================q-point: (-0.47 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.842 ( -8.502 -1.530 -6.339) 10.715 2.287 ( 2.512 1.563 2.124) 3.642 2.427 ( -14.227 2.011 0.089) 14.369 2.779 ( -6.500 1.588 2.229) 7.053 3.029 ( -23.258 0.799 1.681) 23.332 3.686 ( -15.708 3.707 -2.618) 16.350 3.908 ( -6.646 2.812 -9.161) 11.661 4.365 ( -7.371 -4.683 3.469) 9.396 4.646 ( -6.003 -5.235 -2.484) 8.344 5.747 ( 10.988 -0.588 -4.033) 11.719 6.107 ( 19.455 1.157 -8.598) 21.301 6.345 ( 26.661 2.422 1.299) 26.802 7.280 ( 1.284 24.644 -5.056) 25.190 7.945 ( 10.132 -7.972 10.393) 16.559 8.586 ( -1.917 0.666 2.051) 2.886 9.187 ( -15.564 3.699 17.853) 23.972 9.469 ( 17.406 -9.416 -2.736) 19.978 9.990 ( 4.172 -3.955 -12.035) 13.337 10.920 ( 0.460 -4.321 2.939) 5.246 11.160 ( 14.642 -2.345 9.974) 17.871 12.486 ( -10.870 0.367 -7.501) 13.212 13.177 ( -19.748 -16.360 -18.776) 31.784 13.615 ( 5.130 17.491 8.062) 19.931 14.355 ( 17.878 13.588 5.860) 23.207 14.765 ( 7.957 -10.380 -0.018) 13.079 16.546 ( 26.556 0.286 2.028) 26.635 19.341 ( -9.784 1.519 0.058) 9.901======================= Grid point 307 (70/119) =======================q-point: ( 0.27 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.966 ( 3.109 6.160 -3.770) 7.863 2.253 ( -0.995 -2.226 1.319) 2.772 2.641 ( 4.838 6.553 -1.605) 8.302 2.895 ( 2.170 6.916 2.816) 7.777 3.429 ( 10.994 18.665 1.108) 21.691 3.942 ( 4.530 9.586 -0.023) 10.603 4.066 ( 8.284 4.577 -6.914) 11.720 4.406 ( -1.340 2.798 1.719) 3.547 4.673 ( 0.687 -0.807 -1.660) 1.970 5.406 ( -15.976 -20.433 -3.441) 26.165 5.846 ( -3.644 -10.037 -4.149) 11.455 5.958 ( -9.097 -14.305 -2.103) 17.083 7.526 ( 13.786 -3.681 -1.213) 14.321 7.691 ( -11.205 1.040 6.845) 13.171 8.735 ( 6.515 10.758 -5.331) 13.660 9.071 ( -12.303 -15.871 -0.197) 20.082 9.485 ( 10.781 2.581 3.947) 11.768 9.924 ( -4.422 9.209 -1.107) 10.275 10.853 ( -9.500 -14.740 13.570) 22.173 10.911 ( 0.966 -0.422 3.644) 3.794 12.662 ( 4.541 7.285 -7.753) 11.567 13.297 ( -6.295 19.074 -12.184) 23.492 13.738 ( 10.247 -3.231 3.995) 11.463 14.194 ( -2.293 -12.093 4.021) 12.948 14.584 ( -1.961 -7.702 -0.840) 7.992 16.118 ( -12.114 -17.516 2.527) 21.447 19.505 ( 3.902 6.980 -0.262) 8.001======================= Grid point 308 (71/119) =======================q-point: ( 0.33 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.064 ( 1.405 4.631 -2.226) 5.327 2.210 ( -0.804 -2.705 0.116) 2.824 2.723 ( -0.733 4.101 -3.287) 5.307 2.980 ( -0.503 6.381 3.063) 7.096 3.725 ( 5.486 8.604 1.425) 10.303 4.021 ( -7.962 15.337 -0.491) 17.288 4.274 ( 8.105 4.219 -1.908) 9.335 4.378 ( -2.879 -0.310 -0.663) 2.970 4.659 ( 4.346 -10.329 -0.665) 11.226 4.985 ( -4.928 -17.755 -2.331) 18.573 5.726 ( -3.767 -3.322 -4.711) 6.887 5.783 ( 1.683 -7.788 -1.886) 8.188 7.465 ( -15.605 16.055 0.862) 22.406 7.776 ( 9.845 -5.236 5.331) 12.359 8.767 ( 3.214 -20.886 0.893) 21.151 8.985 ( 1.314 16.854 -10.188) 19.738 9.498 ( -3.582 -6.832 -15.162) 17.011 10.071 ( 3.619 14.215 15.380) 21.253 10.586 ( -2.428 -14.774 15.288) 21.398 10.927 ( 1.877 -2.407 4.708) 5.611 12.769 ( 1.337 3.426 -8.444) 9.210 13.386 ( -3.344 16.651 -0.920) 17.009 13.852 ( 2.610 1.248 -1.764) 3.389 14.042 ( -5.844 -2.806 0.946) 6.551 14.520 ( 5.758 -14.156 -3.629) 15.707 15.836 ( -3.389 -9.144 4.402) 10.699 19.601 ( 0.008 5.064 -0.398) 5.080======================= Grid point 309 (72/119) =======================q-point: (-0.60 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.066 ( -4.404 0.850 -2.116) 4.960 2.207 ( 2.447 -0.402 0.001) 2.480 2.720 ( -3.600 2.863 -3.237) 5.624 2.988 ( -4.361 3.165 3.186) 6.260 3.721 ( -10.634 0.062 1.315) 10.715 4.031 ( -8.100 13.999 -0.172) 16.174 4.211 ( -10.742 -0.218 -3.678) 11.357 4.426 ( 2.440 -1.060 0.870) 2.799 4.653 ( 6.408 -9.039 -1.073) 11.132 5.007 ( 20.365 -6.099 -1.890) 21.342 5.711 ( 3.338 1.415 -4.564) 5.829 5.793 ( 6.669 -4.795 -2.162) 8.494 7.437 ( -9.568 21.802 1.075) 23.833 7.779 ( 0.515 -9.961 4.424) 10.911 8.774 ( 15.581 -12.255 1.321) 19.867 9.010 ( -12.397 4.823 -10.637) 17.032 9.441 ( 2.104 2.979 -12.140) 12.676 10.121 ( -8.622 0.993 12.324) 15.073 10.585 ( 14.731 -5.517 16.126) 22.528 10.922 ( 0.471 -2.469 4.528) 5.178 12.767 ( -3.842 0.674 -8.396) 9.258 13.493 ( -2.460 9.534 1.676) 9.988 13.770 ( -6.177 -7.229 -3.159) 10.019 14.026 ( -0.993 11.526 -0.536) 11.581 14.497 ( 7.837 -11.758 -3.525) 14.563 15.850 ( 11.088 -2.589 4.531) 12.255 19.601 ( -4.328 2.490 -0.389) 5.008======================= Grid point 323 (73/119) =======================q-point: ( 0.33 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 193Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.146 ( -1.637 -3.275 -1.128) 3.831 2.146 ( 1.637 3.275 -1.128) 3.831 2.763 ( -0.000 -0.000 -3.714) 3.714 3.045 ( -0.000 -0.000 2.671) 2.671 3.793 ( 0.000 -0.000 2.328) 2.328 4.298 ( -2.834 -5.667 -1.971) 6.636 4.298 ( 2.834 5.667 -1.971) 6.636 4.436 ( -3.875 -7.751 0.841) 8.706 4.436 ( 3.875 7.751 0.841) 8.706 4.765 ( -0.000 -0.000 -2.790) 2.790 5.700 ( -0.532 -1.063 -3.813) 3.994 5.700 ( 0.532 1.063 -3.813) 3.994 7.701 ( -2.099 -4.199 4.567) 6.550 7.701 ( 2.099 4.199 4.567) 6.550 8.504 ( -0.000 -0.000 -0.163) 0.163 9.300 ( -5.821 -11.642 -14.694) 19.630 9.300 ( 5.821 11.642 -14.694) 19.630 10.319 ( -5.276 -10.553 15.898) 19.798 10.319 ( 5.276 10.553 15.898) 19.798 10.906 ( -0.000 -0.000 5.322) 5.322 12.803 ( -0.000 -0.000 -8.970) 8.970 13.669 ( -4.881 -9.762 1.884) 11.075 13.669 ( 4.881 9.762 1.884) 11.075 14.239 ( -6.048 -12.095 -4.186) 14.156 14.239 ( 6.048 12.095 -4.186) 14.156 15.739 ( -0.000 -0.000 4.829) 4.829 19.652 ( -0.000 -0.000 -0.481) 0.481======================= Grid point 482 (74/119) =======================q-point: ( 0.00 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 119Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.104 ( 0.000 0.000 21.905) 21.905 1.104 ( 0.000 -0.000 21.905) 21.905 1.576 ( 0.000 0.000 -16.610) 16.610 1.576 ( 0.000 -0.000 -16.610) 16.610 1.777 ( 0.000 0.000 40.780) 40.780 2.240 ( 0.000 0.000 0.844) 0.844 2.240 ( 0.000 0.000 0.844) 0.844 2.668 ( 0.000 0.000 -38.283) 38.283 5.087 ( 0.000 0.000 5.316) 5.316 7.168 ( 0.000 0.000 5.221) 5.221 7.168 ( 0.000 0.000 5.221) 5.221 7.322 ( 0.000 0.000 -7.568) 7.568 7.322 ( 0.000 0.000 -7.568) 7.568 9.761 ( 0.000 -0.000 11.865) 11.865 9.761 ( 0.000 0.000 11.865) 11.865 9.798 ( 0.000 0.000 3.001) 3.001 10.523 ( -0.000 0.000 -0.202) 0.202 10.587 ( 0.000 0.000 -12.501) 12.501 10.587 ( 0.000 -0.000 -12.501) 12.501 11.947 ( 0.000 0.000 2.970) 2.970 11.947 ( 0.000 0.000 2.970) 2.970 12.229 ( 0.000 0.000 -2.525) 2.525 15.071 ( 0.000 0.000 -0.056) 0.056 15.071 ( -0.000 0.000 -0.056) 0.056 15.206 ( 0.000 0.000 0.777) 0.777 19.140 ( 0.000 0.000 -1.152) 1.152 20.902 ( -0.000 0.000 0.789) 0.789======================= Grid point 483 (75/119) =======================q-point: ( 0.07 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 304Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.054 ( 1.017 0.587 21.398) 21.430 1.143 ( -0.010 -0.006 19.530) 19.530 1.605 ( 4.075 2.353 -15.602) 16.296 1.682 ( 5.211 3.009 -15.222) 16.368 2.032 ( 20.711 11.957 30.064) 38.416 2.230 ( -0.325 -0.188 1.674) 1.716 2.380 ( 11.535 6.660 -1.297) 13.383 2.670 ( 1.462 0.844 -25.327) 25.383 4.830 ( -17.369 -10.028 5.225) 20.725 6.996 ( -8.381 -4.839 3.566) 10.314 7.118 ( -8.296 -4.790 0.507) 9.593 7.493 ( 7.330 4.232 -8.004) 11.649 7.582 ( 21.203 12.242 -8.679) 25.977 9.293 ( -23.511 -13.574 1.966) 27.219 9.653 ( -6.844 -3.951 15.755) 17.626 10.062 ( -5.023 -2.900 15.303) 16.365 10.321 ( -1.490 -0.860 -16.512) 16.601 10.585 ( -2.274 -1.313 -15.424) 15.646 10.651 ( 3.325 1.920 0.497) 3.872 11.851 ( -8.074 -4.661 1.935) 9.521 11.881 ( -5.029 -2.904 3.951) 7.024 12.328 ( 6.523 3.766 -3.313) 8.228 14.987 ( -9.065 -5.234 3.645) 11.084 15.094 ( 1.885 1.088 -0.094) 2.178 15.278 ( 7.588 4.381 -3.809) 9.554 19.092 ( -3.855 -2.226 -0.372) 4.467 20.500 ( -31.118 -17.966 8.779) 36.989======================= Grid point 484 (76/119) =======================q-point: ( 0.13 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 304Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.160 ( 7.992 4.614 16.576) 18.972 1.206 ( 5.881 3.395 13.719) 15.307 1.675 ( 2.146 1.239 -18.320) 18.487 1.806 ( 5.545 3.201 -12.210) 13.787 2.233 ( 0.754 0.435 1.871) 2.064 2.582 ( 22.775 13.149 15.005) 30.278 2.711 ( 15.406 8.895 -2.017) 17.903 2.836 ( 16.213 9.360 -4.226) 19.192 4.443 ( -14.864 -8.582 0.250) 17.165 6.779 ( -10.688 -6.171 1.605) 12.445 7.006 ( -1.674 -0.967 8.039) 8.268 7.660 ( 7.068 4.081 -8.919) 12.089 7.842 ( -2.234 -1.290 -9.742) 10.078 8.817 ( -15.241 -8.799 -6.042) 18.607 9.438 ( -12.042 -6.953 20.064) 24.412 9.672 ( -18.007 -10.396 2.622) 20.957 10.416 ( -0.500 -0.289 0.765) 0.959 10.497 ( -5.008 -2.891 -17.819) 18.734 10.752 ( 6.626 3.825 -0.932) 7.707 11.645 ( -7.806 -4.507 -1.235) 9.097 11.734 ( -7.186 -4.149 4.692) 9.532 12.439 ( 2.196 1.268 -2.442) 3.520 14.702 ( -14.915 -8.611 4.830) 17.887 15.149 ( 2.717 1.569 -0.086) 3.139 15.468 ( 7.321 4.227 -8.313) 11.856 18.991 ( -4.295 -2.479 1.087) 5.077 19.666 ( -38.855 -22.433 13.201) 46.768======================= Grid point 485 (77/119) =======================q-point: ( 0.20 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 304Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.329 ( 2.341 1.352 1.179) 2.949 1.398 ( 12.138 7.008 11.150) 17.909 1.791 ( 10.061 5.809 -13.759) 18.008 1.940 ( 6.254 3.611 -8.532) 11.177 2.269 ( 2.439 1.408 1.358) 3.127 2.939 ( 12.950 7.477 -2.933) 15.238 3.092 ( 14.144 8.166 10.042) 19.172 3.389 ( 27.790 16.044 5.762) 32.602 4.195 ( -5.719 -3.302 -3.814) 7.626 6.504 ( -13.305 -7.682 0.273) 15.366 6.911 ( -10.955 -6.325 -1.117) 12.699 7.574 ( -15.307 -8.838 5.099) 18.396 7.798 ( 4.077 2.354 -12.801) 13.639 8.587 ( -5.325 -3.074 -4.428) 7.577 9.104 ( -16.499 -9.526 25.428) 31.773 9.410 ( -4.927 -2.844 -1.215) 5.817 10.205 ( -16.944 -9.782 6.349) 20.569 10.376 ( -5.138 -2.966 -18.626) 19.547 10.937 ( 8.787 5.073 -4.068) 10.931 11.578 ( -5.946 -3.433 5.067) 8.533 11.580 ( 2.752 1.589 -3.440) 4.684 12.421 ( -3.420 -1.975 -0.393) 3.969 14.325 ( -17.648 -10.189 2.488) 20.529 15.210 ( 2.490 1.438 -0.066) 2.876 15.559 ( -0.152 -0.088 -9.775) 9.777 18.779 ( -37.143 -21.445 8.913) 43.806 18.923 ( -1.999 -1.154 3.492) 4.186======================= Grid point 486 (78/119) =======================q-point: ( 0.27 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 304Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.332 ( 0.252 0.145 -10.450) 10.454 1.686 ( 12.254 7.075 6.484) 15.565 2.099 ( 14.424 8.327 -3.554) 17.030 2.102 ( 8.052 4.649 -4.200) 10.202 2.342 ( 3.873 2.236 0.470) 4.497 3.248 ( 14.052 8.113 -6.111) 17.338 3.285 ( 3.154 1.821 9.204) 9.898 3.993 ( 22.972 13.263 9.927) 28.323 4.229 ( 9.152 5.284 -8.384) 13.490 6.172 ( -15.467 -8.930 0.900) 17.882 6.502 ( -20.863 -12.046 -15.697) 28.754 7.174 ( -20.863 -12.045 8.818) 25.654 7.770 ( -8.882 -5.128 -21.946) 24.224 8.663 ( 11.521 6.652 8.090) 15.570 8.754 ( -11.471 -6.623 33.056) 35.611 9.346 ( -2.483 -1.434 4.632) 5.447 9.707 ( -24.629 -14.220 0.455) 28.443 10.275 ( -3.539 -2.043 -17.862) 18.323 11.166 ( 11.370 6.564 -1.480) 13.212 11.481 ( -2.256 -1.302 4.945) 5.590 11.734 ( 9.417 5.437 -2.700) 11.205 12.308 ( -5.550 -3.204 0.832) 6.462 13.908 ( -18.372 -10.607 -1.253) 21.251 15.259 ( 1.721 0.994 -0.056) 1.988 15.445 ( -9.637 -5.564 -9.248) 14.469 17.954 ( -34.115 -19.696 6.330) 39.898 18.932 ( 2.375 1.371 2.417) 3.655======================= Grid point 487 (79/119) =======================q-point: ( 0.33 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 304Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.428 ( 8.806 5.084 -9.064) 13.622 1.934 ( 9.015 5.205 2.260) 10.652 2.304 ( 8.903 5.140 0.464) 10.291 2.375 ( 8.752 5.053 1.861) 10.276 2.449 ( 5.824 3.363 -0.558) 6.748 3.331 ( 3.101 1.790 3.761) 5.192 3.581 ( 14.836 8.566 -11.757) 20.778 4.347 ( 9.391 5.422 6.077) 12.431 4.589 ( 17.982 10.382 -3.939) 21.135 5.812 ( -15.283 -8.824 4.495) 18.211 6.069 ( -15.932 -9.198 -16.424) 24.661 6.672 ( -21.173 -12.225 6.794) 25.376 7.357 ( -25.081 -14.481 -24.427) 37.887 8.638 ( 0.181 0.104 31.495) 31.496 8.906 ( 2.410 1.391 -12.442) 12.749 9.096 ( -22.772 -13.148 10.809) 28.430 9.401 ( 7.498 4.329 17.800) 19.794 10.211 ( -2.168 -1.251 -16.911) 17.095 11.419 ( 8.591 4.960 5.521) 11.353 11.474 ( 1.455 0.840 4.432) 4.740 11.969 ( 10.506 6.066 -1.949) 12.287 12.235 ( 1.548 0.894 0.899) 2.001 13.493 ( -17.673 -10.204 -4.761) 20.956 15.145 ( -15.758 -9.098 -10.104) 20.813 15.289 ( 0.890 0.514 -0.048) 1.029 17.226 ( -29.096 -16.799 4.402) 33.885 19.016 ( 4.487 2.590 1.736) 5.464======================= Grid point 488 (80/119) =======================q-point: ( 0.40 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 304Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.692 ( 12.266 7.082 -2.212) 14.336 2.093 ( 4.923 2.842 0.329) 5.694 2.463 ( 4.798 2.770 0.882) 5.610 2.489 ( 1.666 0.962 3.398) 3.905 2.626 ( 8.745 5.049 0.168) 10.099 3.483 ( 9.831 5.676 0.286) 11.355 3.911 ( 13.364 7.716 -17.396) 23.255 4.463 ( 0.288 0.167 5.252) 5.263 4.926 ( 10.795 6.233 -2.558) 12.725 5.511 ( -9.769 -5.640 10.808) 15.623 5.799 ( -7.165 -4.137 -9.147) 12.334 6.247 ( -15.497 -8.947 4.318) 18.408 6.739 ( -26.671 -15.398 -24.827) 39.557 8.639 ( -14.119 -8.152 -8.009) 18.165 8.693 ( 3.811 2.200 25.759) 26.132 8.743 ( -13.581 -7.841 -8.094) 17.648 9.744 ( 16.967 9.796 26.752) 33.158 10.165 ( -2.115 -1.221 -15.910) 16.097 11.488 ( -1.595 -0.921 9.759) 9.932 11.530 ( 2.954 1.706 3.720) 5.048 12.203 ( 9.840 5.681 -0.025) 11.363 12.454 ( 16.269 9.393 5.897) 19.690 13.111 ( -15.086 -8.710 -7.315) 18.894 14.752 ( -18.186 -10.500 -15.309) 25.987 15.302 ( 0.303 0.175 -0.044) 0.352 16.644 ( -20.846 -12.035 4.650) 24.516 19.117 ( 3.938 2.273 1.095) 4.677======================= Grid point 489 (81/119) =======================q-point: ( 0.47 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 304Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.915 ( 6.160 3.556 1.158) 7.206 2.165 ( 1.419 0.819 0.124) 1.644 2.495 ( -0.221 -0.128 1.547) 1.568 2.539 ( 1.780 1.028 0.145) 2.061 2.784 ( 3.970 2.292 0.171) 4.587 3.708 ( 7.672 4.429 1.177) 8.937 4.122 ( 0.006 0.004 -13.307) 13.307 4.404 ( -0.329 -0.190 2.713) 2.739 5.086 ( 3.257 1.881 -2.777) 4.675 5.421 ( 2.947 1.702 17.483) 17.811 5.730 ( 0.121 0.070 -3.186) 3.189 5.985 ( -6.279 -3.625 0.338) 7.258 6.204 ( -18.874 -10.897 -26.073) 33.983 8.396 ( -14.856 -8.577 1.896) 17.259 8.485 ( 0.486 0.281 -14.039) 14.050 8.796 ( 5.003 2.888 19.431) 20.271 10.055 ( 8.869 5.121 17.940) 20.657 10.107 ( -3.006 -1.736 -13.545) 13.982 11.439 ( -1.117 -0.645 8.882) 8.975 11.588 ( 1.741 1.005 2.821) 3.464 12.422 ( 9.437 5.448 2.797) 11.250 12.716 ( -6.382 -3.685 3.683) 8.239 12.981 ( 14.871 8.586 -0.368) 17.176 14.311 ( -19.955 -11.521 -19.321) 30.071 15.305 ( 0.054 0.031 -0.056) 0.084 16.317 ( -6.738 -3.890 4.552) 9.014 19.183 ( 1.629 0.941 0.613) 1.979======================= Grid point 490 (82/119) =======================q-point: (-0.47 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 304Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.949 ( -3.523 -2.034 -1.635) 4.384 2.162 ( -1.675 -0.967 0.346) 1.965 2.507 ( 1.445 0.834 1.151) 2.027 2.540 ( -1.615 -0.932 0.031) 1.865 2.787 ( -3.665 -2.116 -0.032) 4.233 3.751 ( -7.098 -4.098 -2.031) 8.444 3.885 ( -11.674 -6.740 4.551) 14.227 4.517 ( 4.995 2.884 -5.961) 8.294 5.068 ( -4.627 -2.671 -1.340) 5.508 5.654 ( 15.557 8.982 17.497) 25.077 5.740 ( 0.034 0.020 -3.554) 3.554 5.919 ( -4.289 -2.476 -21.306) 21.874 6.025 ( 9.833 5.677 -3.341) 11.836 8.131 ( -6.549 -3.781 9.487) 12.132 8.633 ( 10.982 6.341 -10.563) 16.504 8.919 ( 5.616 3.243 10.437) 12.288 10.028 ( -3.767 -2.175 -8.585) 9.624 10.131 ( -1.863 -1.075 9.909) 10.139 11.465 ( 3.192 1.843 6.545) 7.512 11.600 ( -0.728 -0.420 1.766) 1.956 12.491 ( -9.911 -5.722 -3.209) 11.885 12.651 ( 10.637 6.141 6.061) 13.697 13.269 ( -1.786 -1.031 -19.005) 19.117 13.988 ( 0.548 0.316 6.245) 6.277 15.305 ( -0.043 -0.025 -0.069) 0.085 16.348 ( 9.019 5.207 1.787) 10.567 19.188 ( -1.219 -0.704 0.232) 1.427======================= Grid point 491 (83/119) =======================q-point: (-0.40 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 304Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.751 ( -13.196 -7.618 -6.951) 16.748 2.084 ( -5.126 -2.959 1.031) 6.008 2.476 ( -3.663 -2.115 -0.192) 4.234 2.539 ( 0.212 0.122 1.003) 1.032 2.635 ( -8.929 -5.155 -0.549) 10.324 3.434 ( -13.371 -7.720 1.886) 15.554 3.717 ( -7.058 -4.075 -0.432) 8.161 4.537 ( -3.658 -2.112 -1.321) 4.426 4.896 ( -10.235 -5.909 -0.044) 11.819 5.760 ( 2.532 1.462 -4.704) 5.539 5.837 ( 4.809 2.776 -18.053) 18.887 6.245 ( 26.194 15.123 19.472) 35.972 6.359 ( 17.968 10.374 -5.845) 21.555 8.141 ( 7.162 4.135 20.282) 21.904 8.925 ( 13.326 7.694 -5.880) 16.472 9.051 ( 5.988 3.457 -1.877) 7.164 9.942 ( -3.489 -2.014 -0.779) 4.103 10.009 ( -7.471 -4.313 -0.143) 8.628 11.555 ( 3.473 2.005 4.483) 6.015 11.563 ( -2.156 -1.244 0.791) 2.612 12.264 ( -10.033 -5.792 -5.395) 12.779 12.843 ( -12.874 -7.433 -20.228) 25.103 12.983 ( 4.976 2.873 -4.896) 7.549 14.341 ( 22.037 12.723 21.581) 33.365 15.302 ( -0.313 -0.181 -0.058) 0.366 16.697 ( 20.668 11.933 -0.028) 23.866 19.132 ( -3.455 -1.995 -0.121) 3.992======================= Grid point 492 (84/119) =======================q-point: (-0.33 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 304Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.426 ( -12.426 -7.174 -8.946) 16.909 1.933 ( -7.819 -4.514 2.157) 9.283 2.349 ( -9.430 -5.444 -3.068) 11.312 2.436 ( -5.852 -3.379 0.633) 6.787 2.442 ( -9.853 -5.688 -2.473) 11.642 3.243 ( -3.666 -2.117 5.449) 6.900 3.558 ( -6.107 -3.526 -5.686) 9.059 4.355 ( -11.900 -6.871 4.327) 14.406 4.597 ( -15.491 -8.944 -3.118) 18.157 5.895 ( 10.260 5.924 -0.408) 11.854 6.019 ( 10.620 6.131 -14.740) 19.174 6.830 ( 22.905 13.224 -7.536) 27.501 6.860 ( 25.161 14.527 21.604) 36.205 8.364 ( 8.642 4.989 24.378) 26.341 9.203 ( 7.669 4.428 -16.014) 18.299 9.222 ( 12.894 7.444 5.868) 16.004 9.862 ( -3.523 -2.034 -18.076) 18.528 9.878 ( -1.931 -1.115 8.883) 9.159 11.522 ( -0.969 -0.560 0.177) 1.133 11.543 ( -6.334 -3.657 -1.001) 7.382 12.012 ( -12.691 -7.327 -8.304) 16.844 12.467 ( -9.505 -5.487 -22.706) 25.219 13.335 ( 18.654 10.770 10.483) 23.956 14.834 ( 19.639 11.339 16.823) 28.236 15.288 ( -0.913 -0.527 -0.027) 1.055 17.264 ( 28.214 16.289 1.038) 32.595 19.043 ( -3.933 -2.271 -0.468) 4.566======================= Grid point 493 (85/119) =======================q-point: (-0.27 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 304Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.272 ( -0.587 -0.339 -6.060) 6.097 1.740 ( -8.715 -5.032 2.686) 10.416 2.088 ( -11.833 -6.832 -3.654) 14.144 2.108 ( -17.922 -10.347 -3.885) 21.056 2.346 ( -3.034 -1.752 0.156) 3.507 3.143 ( -8.026 -4.634 3.479) 9.899 3.450 ( -4.462 -2.576 -5.837) 7.786 3.991 ( -20.030 -11.564 8.499) 24.641 4.259 ( -10.815 -6.244 -8.906) 15.338 6.262 ( 21.516 12.422 5.831) 25.519 6.297 ( 13.129 7.580 -10.984) 18.721 7.317 ( 13.574 7.837 20.195) 25.563 7.384 ( 24.254 14.003 -9.542) 29.587 8.418 ( -3.185 -1.839 17.587) 17.967 9.423 ( 11.549 6.668 -27.687) 30.731 9.484 ( 7.024 4.056 8.511) 11.757 9.863 ( 0.956 0.552 18.718) 18.750 9.946 ( 12.657 7.308 -23.712) 27.854 11.274 ( -14.820 -8.556 -9.600) 19.621 11.536 ( 2.387 1.378 0.016) 2.757 11.718 ( -11.502 -6.641 -3.265) 13.676 12.418 ( 2.168 1.252 -9.829) 10.143 13.800 ( 21.433 12.374 9.170) 26.393 15.201 ( 11.736 6.776 11.802) 17.971 15.258 ( -1.742 -1.006 0.006) 2.012 17.972 ( 33.142 19.135 4.465) 38.529 18.971 ( -1.880 -1.086 -0.749) 2.297======================= Grid point 494 (86/119) =======================q-point: (-0.20 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 304Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.350 ( 5.101 2.945 1.235) 6.018 1.545 ( -7.955 -4.593 2.393) 9.493 1.684 ( -16.987 -9.807 -6.890) 20.789 1.832 ( -10.234 -5.909 -2.853) 12.157 2.289 ( -1.866 -1.077 -0.501) 2.212 2.851 ( -16.865 -9.737 5.457) 20.225 3.227 ( -15.702 -9.066 -2.645) 18.324 3.470 ( -23.881 -13.788 -0.392) 27.578 4.211 ( 6.189 3.573 -5.334) 8.918 6.601 ( 13.071 7.546 -9.007) 17.576 6.807 ( 23.002 13.280 6.368) 27.313 7.480 ( 1.466 0.847 15.616) 15.707 7.852 ( 13.586 7.844 -16.607) 22.845 8.365 ( 2.697 1.557 10.830) 11.269 9.552 ( 2.096 1.210 -6.727) 7.149 9.672 ( 7.728 4.462 -23.546) 25.180 9.963 ( 9.070 5.237 17.006) 19.972 10.323 ( 15.057 8.693 -6.803) 18.670 10.963 ( -11.011 -6.357 -6.825) 14.430 11.527 ( -3.888 -2.245 0.982) 4.595 11.631 ( 5.650 3.262 0.269) 6.529 12.469 ( 1.220 0.704 -4.973) 5.168 14.296 ( 21.203 12.242 5.643) 25.126 15.209 ( -2.510 -1.449 0.034) 2.899 15.361 ( 2.280 1.317 7.574) 8.018 18.754 ( 31.793 18.356 8.963) 37.790 18.987 ( 6.346 3.664 -0.264) 7.332======================= Grid point 495 (87/119) =======================q-point: (-0.13 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 304Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.230 ( -12.623 -7.288 13.469) 19.846 1.383 ( -6.267 -3.618 5.775) 9.258 1.606 ( 7.337 4.236 -13.707) 16.114 1.630 ( -6.986 -4.033 -5.260) 9.630 2.260 ( -0.764 -0.441 -0.651) 1.097 2.399 ( -21.442 -12.380 14.935) 28.915 2.791 ( -20.910 -12.072 2.204) 24.245 2.977 ( -17.407 -10.050 -12.663) 23.756 4.458 ( 14.008 8.088 -0.872) 16.199 6.885 ( 11.501 6.640 -8.400) 15.714 7.181 ( 8.799 5.080 -4.495) 11.111 7.436 ( -4.261 -2.460 11.138) 12.176 7.903 ( -9.282 -5.359 -18.272) 21.184 8.651 ( 21.449 12.383 8.402) 26.153 9.713 ( 12.743 7.357 0.198) 14.716 9.768 ( 2.019 1.166 -1.247) 2.644 10.235 ( 12.305 7.104 -2.173) 14.373 10.480 ( -1.392 -0.803 -5.923) 6.137 10.779 ( -5.658 -3.267 -2.898) 7.147 11.595 ( 9.215 5.320 3.188) 11.108 11.776 ( 6.504 3.755 0.920) 7.566 12.447 ( -3.396 -1.961 -3.335) 5.148 14.743 ( 17.104 9.875 1.577) 19.813 15.147 ( -2.723 -1.572 0.043) 3.144 15.326 ( -4.498 -2.597 4.361) 6.781 19.002 ( 4.134 2.387 0.223) 4.778 19.670 ( 38.069 21.979 12.548) 45.714======================= Grid point 496 (88/119) =======================q-point: (-0.07 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 304Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.044 ( -2.228 -1.286 21.035) 21.192 1.240 ( -6.447 -3.722 16.220) 17.846 1.537 ( -0.837 -0.483 -13.636) 13.670 1.704 ( -2.432 -1.404 -16.726) 16.960 1.959 ( -14.384 -8.305 30.988) 35.159 2.249 ( -0.334 -0.193 -0.114) 0.402 2.371 ( -12.881 -7.437 1.201) 14.923 2.707 ( -5.782 -3.338 -25.291) 26.157 4.826 ( 17.212 9.937 5.447) 20.607 7.124 ( 9.303 5.371 -8.383) 13.626 7.253 ( -3.075 -1.775 -12.507) 13.001 7.316 ( -5.830 -3.366 8.189) 10.601 7.541 ( -16.238 -9.375 -4.100) 19.193 9.233 ( 26.409 15.247 7.195) 31.332 9.791 ( -0.017 -0.010 7.408) 7.408 9.987 ( 3.923 2.265 13.413) 14.157 10.408 ( 0.792 0.457 -14.892) 14.920 10.470 ( 7.811 4.509 -8.996) 12.739 10.678 ( -3.544 -2.046 -2.611) 4.854 11.832 ( 8.969 5.178 3.703) 10.999 11.904 ( 4.093 2.363 1.885) 5.088 12.324 ( -6.417 -3.705 -3.065) 8.019 15.037 ( 6.985 4.033 -0.948) 8.121 15.093 ( -1.848 -1.067 0.008) 2.134 15.211 ( -3.418 -1.974 2.418) 4.629 19.094 ( 3.555 2.053 -0.591) 4.147 20.499 ( 31.178 18.001 8.839) 37.070======================= Grid point 498 (89/119) =======================q-point: ( 0.07 0.07 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.135 ( 3.754 10.057 15.286) 18.679 1.267 ( -3.599 9.080 14.874) 17.794 1.612 ( 4.809 0.598 -13.472) 14.317 1.720 ( 4.199 -2.042 -14.447) 15.183 2.246 ( -0.139 1.895 1.341) 2.325 2.354 ( 19.386 19.274 19.157) 33.381 2.647 ( 9.786 20.303 0.804) 22.553 2.808 ( 1.035 13.288 -14.013) 19.339 4.541 ( -9.528 -15.779 1.154) 18.468 6.990 ( -1.643 -3.890 -2.032) 4.687 7.107 ( -20.733 6.995 7.506) 23.133 7.371 ( 11.593 -11.318 -12.003) 20.164 7.907 ( 8.346 13.304 -9.818) 18.521 8.840 ( -8.835 -26.083 3.082) 27.711 9.610 ( -12.536 -4.111 7.524) 15.187 9.862 ( -10.656 -10.334 9.019) 17.369 10.324 ( 2.153 -8.011 -10.804) 13.621 10.492 ( 1.080 -1.734 -8.067) 8.322 10.737 ( 1.868 5.381 -1.626) 5.923 11.682 ( -3.873 -10.521 2.311) 11.447 11.788 ( -5.673 -6.361 2.238) 8.813 12.428 ( 2.749 4.953 -2.974) 6.398 14.852 ( -9.376 -10.208 3.027) 14.187 15.094 ( 1.297 -0.139 0.356) 1.352 15.362 ( 8.118 4.007 -2.596) 9.418 19.024 ( -2.764 -3.998 0.366) 4.874 19.903 ( -22.037 -38.090 12.912) 45.861======================= Grid point 499 (90/119) =======================q-point: ( 0.13 0.07 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.308 ( 1.912 4.106 7.252) 8.550 1.367 ( 4.831 14.651 11.302) 19.124 1.689 ( 6.689 2.320 -16.063) 17.554 1.868 ( 8.806 5.786 -9.102) 13.924 2.270 ( 0.577 3.012 1.186) 3.288 2.844 ( 13.539 12.810 6.651) 19.790 3.002 ( 7.253 18.330 0.534) 19.720 3.127 ( 20.612 18.698 2.014) 27.902 4.257 ( -7.658 -8.774 -2.725) 11.961 6.787 ( -20.710 1.633 5.688) 21.539 6.968 ( -2.178 -2.097 2.374) 3.844 7.396 ( 8.359 -20.608 -9.421) 24.152 7.942 ( -8.528 1.681 -4.265) 9.682 8.548 ( -1.450 -13.839 -3.046) 14.244 9.370 ( -13.214 -0.138 8.664) 15.802 9.530 ( -15.690 -4.138 8.317) 18.234 10.250 ( 2.425 -15.565 -11.271) 19.370 10.377 ( -9.289 -9.281 -2.546) 13.375 10.854 ( 5.476 4.614 -4.471) 8.442 11.571 ( -0.060 -1.887 0.470) 1.946 11.624 ( -5.318 -5.504 1.533) 7.806 12.471 ( -1.837 1.465 -1.424) 2.748 14.544 ( -15.614 -7.782 3.668) 17.827 15.130 ( 4.367 -3.238 0.022) 5.436 15.497 ( 4.980 -1.628 -6.396) 8.268 18.947 ( -2.260 -1.583 1.743) 3.263 19.093 ( -29.241 -33.196 11.058) 45.599======================= Grid point 500 (91/119) =======================q-point: ( 0.20 0.07 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.322 ( 0.240 -1.638 -7.338) 7.522 1.620 ( 7.470 13.784 7.774) 17.500 1.933 ( 12.323 9.598 -4.289) 16.198 2.101 ( 7.059 12.971 -7.994) 16.792 2.328 ( 1.882 4.287 0.839) 4.757 3.124 ( 9.707 9.174 -2.381) 13.567 3.265 ( 4.597 9.016 7.397) 12.535 3.715 ( 24.637 16.226 6.558) 30.220 4.162 ( 2.598 0.844 -5.923) 6.522 6.430 ( -19.223 -4.160 3.861) 20.044 6.716 ( -18.366 -10.333 -12.783) 24.647 7.254 ( -4.102 -18.938 5.067) 20.029 7.826 ( -3.949 -3.422 -11.373) 12.516 8.509 ( 5.931 -1.414 7.671) 9.799 9.044 ( -20.790 1.440 24.121) 31.877 9.376 ( -2.899 -1.165 -1.717) 3.565 9.947 ( -19.770 -15.818 3.565) 25.569 10.181 ( 3.262 -15.263 -18.103) 23.902 11.008 ( 9.284 1.287 -4.064) 10.216 11.496 ( -2.461 -3.825 3.381) 5.667 11.672 ( 6.062 7.659 -2.564) 10.099 12.404 ( -6.112 0.179 0.324) 6.123 14.173 ( -19.652 -5.328 1.221) 20.398 15.171 ( 5.181 -5.280 -0.033) 7.398 15.472 ( -2.329 -8.623 -7.413) 11.608 18.272 ( -29.872 -28.481 7.589) 41.966 18.933 ( 0.293 2.480 1.944) 3.165======================= Grid point 501 (92/119) =======================q-point: ( 0.27 0.07 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.360 ( 4.755 3.715 -10.496) 12.107 1.879 ( 7.156 11.748 3.926) 14.305 2.234 ( 10.211 10.312 1.103) 14.554 2.338 ( 4.215 12.627 -3.034) 13.654 2.421 ( 3.450 5.964 -0.113) 6.891 3.346 ( 0.384 5.108 8.063) 9.553 3.407 ( 13.027 7.245 -10.575) 18.276 4.207 ( 15.010 8.170 9.027) 19.327 4.373 ( 16.294 8.462 -7.796) 19.947 6.056 ( -18.274 -5.508 3.150) 19.344 6.273 ( -19.426 -9.048 -16.524) 27.060 6.874 ( -16.789 -15.746 5.749) 23.725 7.602 ( -17.533 -11.049 -20.857) 29.402 8.560 ( 2.177 -7.309 26.107) 27.198 8.962 ( 2.125 15.672 10.555) 19.014 9.277 ( -9.025 -8.827 18.828) 22.668 9.441 ( -15.464 -8.567 -9.461) 20.051 10.110 ( 4.689 -13.468 -15.124) 20.787 11.197 ( 13.171 -3.641 0.246) 13.667 11.464 ( 0.779 -0.184 2.805) 2.917 11.893 ( 8.474 10.004 -2.026) 13.266 12.306 ( -5.368 3.224 0.766) 6.308 13.776 ( -21.384 -2.984 -2.181) 21.701 15.199 ( 4.870 -7.015 -0.306) 8.545 15.255 ( -9.393 -12.929 -7.278) 17.560 17.515 ( -27.512 -23.974 4.739) 36.799 19.001 ( 2.483 5.693 1.683) 6.435======================= Grid point 502 (93/119) =======================q-point: ( 0.33 0.07 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.568 ( 10.753 8.564 -5.526) 14.816 2.079 ( 3.678 8.961 1.177) 9.758 2.437 ( 4.169 4.390 0.803) 6.107 2.476 ( 1.341 6.460 2.475) 7.047 2.605 ( 6.296 13.956 0.587) 15.322 3.437 ( 3.608 8.828 1.824) 9.710 3.729 ( 15.578 6.335 -14.933) 22.491 4.423 ( 5.519 2.207 4.636) 7.539 4.751 ( 15.848 5.692 -2.827) 17.075 5.707 ( -16.319 -3.540 7.243) 18.201 5.914 ( -12.576 -6.134 -12.602) 18.831 6.451 ( -17.097 -8.601 5.045) 19.792 7.051 ( -27.442 -15.301 -21.698) 38.184 8.542 ( 4.191 -8.781 18.527) 20.927 8.837 ( -18.163 -11.524 4.319) 21.940 9.005 ( -12.517 6.672 -11.030) 17.968 9.552 ( 16.237 9.797 26.659) 32.716 10.069 ( 5.166 -11.925 -13.000) 18.382 11.350 ( 11.142 -7.973 2.559) 13.938 11.475 ( 0.565 -3.133 6.889) 7.589 12.143 ( 8.271 10.607 -1.719) 13.560 12.367 ( 5.775 11.416 2.171) 12.976 13.387 ( -21.294 -0.726 -4.858) 21.853 14.909 ( -13.752 -13.953 -10.738) 22.341 15.217 ( 4.903 -7.510 -0.035) 8.968 16.866 ( -22.428 -18.980 4.080) 29.663 19.112 ( 2.443 6.925 1.151) 7.433======================= Grid point 503 (94/119) =======================q-point: ( 0.40 0.07 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.825 ( 8.988 5.865 -0.415) 10.740 2.177 ( 0.074 4.602 -0.068) 4.603 2.483 ( 0.511 -0.580 1.176) 1.407 2.563 ( 0.559 7.258 1.739) 7.484 2.835 ( 1.754 15.388 0.719) 15.504 3.627 ( 7.167 7.379 1.200) 10.356 4.042 ( 12.207 6.064 -18.134) 22.685 4.433 ( -3.523 -2.903 5.853) 7.422 4.992 ( 8.449 0.581 -2.600) 8.859 5.476 ( -6.307 -0.152 12.852) 14.317 5.736 ( -3.357 -2.695 -5.829) 7.246 6.128 ( -13.965 -2.448 3.185) 14.532 6.467 ( -22.992 -10.464 -22.989) 34.156 8.456 ( -2.097 -11.466 -5.377) 12.837 8.542 ( -8.822 -3.532 7.626) 12.184 8.861 ( -8.006 7.292 2.978) 11.231 9.901 ( 12.409 1.471 14.329) 19.012 10.062 ( 5.234 -3.988 -4.667) 8.067 11.416 ( 0.730 -6.883 7.635) 10.306 11.436 ( 7.600 -8.324 3.576) 11.826 12.382 ( 7.191 10.733 -0.379) 12.925 12.693 ( 13.264 13.282 10.045) 21.290 13.056 ( -16.088 3.288 -7.264) 17.956 14.511 ( -16.952 -13.245 -16.849) 27.326 15.223 ( 4.721 -7.788 -0.151) 9.109 16.404 ( -12.129 -11.685 4.837) 17.522 19.206 ( 0.391 6.409 0.684) 6.458======================= Grid point 504 (95/119) =======================q-point: ( 0.47 0.07 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.955 ( 1.614 0.551 0.015) 1.706 2.188 ( -1.481 1.170 -0.040) 1.888 2.484 ( 0.465 -0.328 0.495) 0.754 2.613 ( -2.848 6.404 0.797) 7.054 2.933 ( -6.575 11.798 0.131) 13.507 3.760 ( 2.343 0.364 0.208) 2.380 4.069 ( -13.482 -3.951 -0.739) 14.069 4.433 ( 7.359 2.333 -5.173) 9.293 5.059 ( 1.343 -3.776 -1.733) 4.367 5.536 ( 10.465 4.604 14.752) 18.663 5.709 ( 2.075 -2.186 -3.240) 4.425 5.929 ( -9.016 2.008 -5.490) 10.745 6.142 ( -8.404 4.389 -16.113) 18.695 8.243 ( -9.512 -6.059 3.659) 11.857 8.518 ( 5.929 2.833 -4.979) 8.244 8.884 ( 1.836 5.282 6.808) 8.810 9.948 ( 4.278 -11.368 -5.681) 13.409 10.166 ( 0.839 3.758 9.933) 10.654 11.392 ( 3.885 -4.126 7.824) 9.661 11.465 ( 6.590 -11.191 1.744) 13.104 12.580 ( 2.765 2.629 -1.258) 4.018 12.729 ( -10.724 11.943 4.005) 16.543 13.196 ( 12.297 10.159 -2.072) 16.084 14.090 ( -15.048 -9.294 -11.794) 21.258 15.225 ( 4.546 -7.870 -0.197) 9.091 16.255 ( 3.252 -2.307 3.320) 5.189 19.244 ( -2.578 4.869 0.319) 5.518======================= Grid point 506 (96/119) =======================q-point: (-0.47 0.07 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.872 ( -8.368 -5.333 -4.266) 10.801 2.164 ( -3.505 1.742 0.994) 4.039 2.482 ( -0.217 -1.784 1.435) 2.300 2.600 ( -4.956 5.455 -0.329) 7.378 2.848 ( -13.442 6.795 -0.241) 15.064 3.639 ( -15.413 -4.538 0.134) 16.067 3.792 ( -7.720 -4.394 2.077) 9.123 4.538 ( 1.713 -0.791 -3.556) 4.026 4.966 ( -5.606 -7.130 -0.523) 9.085 5.706 ( 3.590 -1.142 -1.522) 4.063 5.821 ( 6.839 -2.112 -17.632) 19.029 6.008 ( 14.813 22.102 16.794) 31.464 6.249 ( 7.911 12.343 -7.720) 16.569 8.127 ( -0.574 3.370 14.117) 14.525 8.723 ( 13.664 1.278 -4.021) 14.300 9.001 ( 4.891 6.013 -0.359) 7.759 9.895 ( 2.206 -9.832 -3.314) 10.608 10.110 ( -7.376 -2.232 4.529) 8.938 11.428 ( 5.237 -11.895 1.927) 13.139 11.476 ( 6.616 -3.410 4.880) 8.900 12.420 ( -11.721 -2.967 -3.832) 12.683 12.911 ( 4.715 18.922 6.842) 20.666 13.142 ( -17.729 -9.477 -31.024) 36.968 14.112 ( 16.531 10.222 19.102) 27.252 15.223 ( 4.413 -7.976 -0.154) 9.117 16.453 ( 17.154 5.145 0.487) 17.915 19.214 ( -5.303 2.966 0.008) 6.076======================= Grid point 507 (97/119) =======================q-point: (-0.40 0.07 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.596 ( -14.579 -6.969 -7.768) 17.929 2.075 ( -9.308 2.076 1.251) 9.619 2.431 ( -2.882 -2.795 1.542) 4.301 2.541 ( -8.284 2.352 -1.844) 8.806 2.634 ( -15.194 1.819 -1.177) 15.348 3.355 ( -11.312 -0.772 3.901) 11.991 3.632 ( -6.672 -3.780 -3.894) 8.600 4.460 ( -7.043 -5.172 1.279) 8.831 4.730 ( -11.490 -10.573 -0.739) 15.632 5.791 ( 6.809 2.319 -1.569) 7.362 5.967 ( 7.173 9.550 -15.806) 19.811 6.568 ( 19.221 10.261 2.392) 21.919 6.625 ( 22.555 22.009 9.084) 32.797 8.284 ( 8.832 9.371 21.989) 25.482 8.976 ( 16.171 -2.302 -3.067) 16.620 9.160 ( 5.698 7.102 -4.194) 10.025 9.843 ( 1.872 -7.077 0.675) 7.352 9.919 ( -8.237 -5.775 -6.417) 11.932 11.371 ( 4.862 -15.672 0.441) 16.415 11.547 ( 2.628 -2.588 2.605) 4.516 12.184 ( -12.349 -3.113 -5.599) 13.911 12.673 ( -19.220 -6.650 -27.376) 34.104 13.253 ( 9.944 20.435 8.328) 24.204 14.581 ( 21.849 10.843 18.063) 30.352 15.217 ( 4.043 -7.949 -0.095) 8.919 16.912 ( 26.949 9.299 0.092) 28.508 19.129 ( -6.629 1.294 -0.279) 6.759======================= Grid point 508 (98/119) =======================q-point: (-0.33 0.07 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.329 ( -8.265 -2.639 -8.176) 11.921 1.899 ( -12.079 0.712 2.339) 12.324 2.273 ( -13.993 -4.428 -2.058) 14.820 2.341 ( -14.868 -0.753 -2.814) 15.151 2.424 ( -8.127 0.476 -0.270) 8.146 3.227 ( -5.490 -0.589 4.643) 7.215 3.509 ( -4.657 -0.896 -6.657) 8.173 4.198 ( -15.807 -8.842 7.645) 19.659 4.389 ( -13.529 -10.720 -6.700) 18.516 6.025 ( 16.134 6.895 3.656) 17.922 6.238 ( 9.120 15.378 -11.211) 21.103 6.996 ( 22.540 3.708 -2.226) 22.952 7.217 ( 19.189 19.015 11.803) 29.480 8.466 ( 0.295 4.626 20.444) 20.963 9.241 ( 15.867 0.466 -13.193) 20.640 9.369 ( 11.207 6.653 9.937) 16.389 9.767 ( 0.730 -8.107 -2.316) 8.463 9.849 ( 4.569 -1.717 -14.987) 15.762 11.267 ( 0.660 -17.760 -4.712) 18.387 11.499 ( -2.317 -2.600 0.407) 3.506 11.919 ( -14.446 -2.969 -5.981) 15.915 12.451 ( -4.122 1.908 -13.519) 14.262 13.667 ( 13.898 20.861 8.297) 26.404 15.011 ( 16.847 5.899 12.795) 21.962 15.207 ( 3.678 -6.598 -0.109) 7.555 17.541 ( 33.786 11.114 2.364) 35.645 19.028 ( -5.473 0.308 -0.503) 5.505======================= Grid point 509 (99/119) =======================q-point: (-0.27 0.07 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.285 ( 2.873 0.913 -4.670) 5.558 1.692 ( -11.712 -0.518 3.442) 12.218 1.924 ( -18.883 -6.596 -3.989) 20.396 2.041 ( -17.314 0.456 -3.867) 17.746 2.337 ( -4.021 0.413 0.093) 4.043 3.062 ( -12.792 -2.351 3.097) 13.370 3.398 ( -9.809 -2.607 -4.380) 11.054 3.738 ( -23.391 -13.401 5.181) 27.451 4.168 ( -1.896 -2.621 -6.558) 7.313 6.476 ( 24.801 8.591 8.561) 27.608 6.564 ( 9.352 18.369 -8.775) 22.403 7.312 ( 13.249 -7.449 4.207) 15.771 7.673 ( 16.981 12.047 -1.456) 20.871 8.404 ( -5.986 0.318 11.736) 13.178 9.482 ( 4.511 -1.693 -11.118) 12.117 9.607 ( 13.626 10.011 -14.878) 22.522 9.763 ( 7.447 -10.106 19.011) 22.782 10.080 ( 19.723 4.584 -12.884) 24.001 11.046 ( -7.136 -11.125 -7.695) 15.294 11.498 ( 3.941 -1.838 2.876) 5.214 11.677 ( -9.936 -0.589 -2.955) 10.382 12.470 ( 1.055 2.641 -5.816) 6.474 14.126 ( 16.274 17.981 5.868) 24.951 15.148 ( 3.043 -7.459 2.738) 8.508 15.319 ( 7.450 4.046 5.029) 9.858 18.278 ( 38.592 11.130 6.652) 40.712 18.965 ( -1.467 -0.052 -0.601) 1.586======================= Grid point 510 (100/119) =======================q-point: (-0.20 0.07 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.346 ( -1.197 -2.594 7.967) 8.463 1.467 ( -12.192 -5.289 6.784) 14.921 1.608 ( -7.971 2.436 -14.279) 16.534 1.791 ( -12.060 1.570 -5.428) 13.318 2.283 ( -2.430 -0.088 -0.005) 2.432 2.750 ( -22.069 0.796 9.576) 24.070 3.086 ( -21.203 -3.806 -0.920) 21.562 3.193 ( -21.955 -13.396 -4.289) 26.074 4.267 ( 11.808 1.371 -3.541) 12.403 6.831 ( 6.941 11.782 1.626) 13.771 7.005 ( 19.801 8.007 0.010) 21.359 7.311 ( 2.239 -15.296 -0.720) 15.475 7.980 ( 6.045 4.137 -9.317) 11.852 8.434 ( 10.229 4.780 5.381) 12.507 9.505 ( 6.247 -4.533 -7.550) 10.797 9.760 ( 4.381 -4.042 9.370) 11.106 10.020 ( 17.857 7.543 -9.572) 21.620 10.415 ( 11.621 0.850 -2.775) 11.978 10.857 ( -6.458 -3.062 -4.765) 8.590 11.531 ( 1.800 2.212 2.656) 3.897 11.656 ( 7.040 -0.781 -0.046) 7.084 12.489 ( -1.348 0.561 -3.155) 3.476 14.554 ( 16.311 10.082 3.147) 19.431 15.113 ( 0.906 -5.131 1.574) 5.443 15.406 ( -1.439 3.413 1.415) 3.965 18.940 ( 7.391 2.567 3.110) 8.419 19.116 ( 38.090 5.736 8.094) 39.360======================= Grid point 515 (101/119) =======================q-point: ( 0.13 0.13 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.301 ( -0.454 -2.551 -5.112) 5.731 1.666 ( 4.891 13.989 6.831) 16.318 1.866 ( 9.371 14.697 -5.244) 18.202 2.076 ( 11.079 14.469 -6.340) 19.295 2.341 ( 2.001 4.075 0.621) 4.582 3.069 ( 8.172 9.566 3.002) 12.934 3.337 ( 1.968 13.282 -1.022) 13.466 3.556 ( 13.173 23.752 4.370) 27.510 4.145 ( -0.696 -1.163 -4.966) 5.148 6.574 ( -11.381 -20.642 8.483) 25.052 6.966 ( 12.450 -15.985 -1.827) 20.344 7.033 ( -21.146 -1.430 -8.564) 22.859 7.826 ( -3.124 -11.723 -2.052) 12.305 8.429 ( 4.133 2.354 6.125) 7.755 9.409 ( -8.446 3.447 -2.174) 9.378 9.454 ( -18.810 -5.915 15.716) 25.215 9.885 ( 6.210 -18.592 -13.757) 23.947 10.097 ( -13.450 -17.906 -5.487) 23.057 10.927 ( 1.541 3.270 -5.377) 6.479 11.491 ( -1.794 -4.138 3.368) 5.628 11.664 ( 4.116 7.898 -2.983) 9.392 12.482 ( -2.270 -0.321 -1.887) 2.970 14.354 ( -6.455 -12.282 3.013) 14.199 15.053 ( -0.606 -3.580 1.201) 3.824 15.397 ( -0.080 -8.573 -1.480) 8.700 18.392 ( -20.842 -35.929 7.995) 42.299 18.956 ( 0.138 2.210 0.364) 2.244======================= Grid point 516 (102/119) =======================q-point: ( 0.20 0.13 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.324 ( 3.543 3.325 -9.548) 10.713 1.906 ( 5.943 14.698 4.670) 16.527 2.177 ( 9.552 13.353 -0.375) 16.422 2.399 ( 7.389 15.053 -4.822) 17.448 2.435 ( 2.660 7.215 0.657) 7.718 3.266 ( 8.264 5.474 -0.962) 9.959 3.446 ( -1.002 9.132 0.396) 9.195 4.021 ( 16.666 14.366 6.707) 23.002 4.240 ( 7.808 6.679 -6.663) 12.246 6.197 ( -10.529 -15.810 2.219) 19.124 6.584 ( -22.570 -9.200 -9.892) 26.304 6.904 ( -4.416 -13.168 0.162) 13.890 7.698 ( -3.060 -7.574 -7.180) 10.876 8.496 ( -2.184 -3.694 15.550) 16.131 9.105 ( -6.898 2.543 22.308) 23.488 9.342 ( -6.696 -1.594 2.680) 7.386 9.625 ( -16.069 -13.994 -9.131) 23.182 9.849 ( 5.396 -16.005 -14.268) 22.110 10.990 ( 5.824 -2.366 -2.829) 6.894 11.452 ( -0.178 -0.854 0.999) 1.326 11.865 ( 7.117 11.249 -2.875) 13.619 12.426 ( -4.277 2.246 -1.033) 4.940 14.082 ( -14.919 -4.776 1.099) 15.703 15.022 ( 3.971 -8.758 0.472) 9.627 15.232 ( -5.013 -14.997 -2.557) 16.018 17.681 ( -22.816 -30.341 4.622) 38.243 19.024 ( 2.430 6.520 0.867) 7.012======================= Grid point 517 (103/119) =======================q-point: ( 0.27 0.13 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.496 ( 8.187 9.477 -7.308) 14.500 2.133 ( 3.251 13.133 2.734) 13.803 2.395 ( 5.169 3.878 -0.260) 6.468 2.567 ( -0.131 10.828 1.881) 10.991 2.656 ( 6.933 17.994 0.210) 19.284 3.500 ( 8.093 8.245 2.540) 11.830 3.544 ( 5.676 8.947 -11.464) 15.611 4.332 ( 8.363 4.804 5.304) 11.007 4.527 ( 15.691 6.437 -4.607) 17.574 5.891 ( -11.168 -9.903 1.348) 14.987 6.125 ( -18.929 -8.725 -8.647) 22.566 6.618 ( -12.623 -10.846 1.390) 16.701 7.397 ( -24.738 -7.058 -14.460) 29.510 8.364 ( 3.449 -13.428 19.543) 23.961 8.993 ( -13.115 -14.816 11.086) 22.680 9.284 ( -8.448 12.339 -12.101) 19.237 9.410 ( 6.800 4.522 14.273) 16.444 9.803 ( 7.716 -15.291 -7.094) 18.539 11.084 ( 9.581 -6.107 -0.816) 11.391 11.434 ( -0.346 -3.820 3.744) 5.360 12.111 ( 7.989 11.564 -3.359) 14.451 12.435 ( 0.091 9.773 -0.713) 9.800 13.762 ( -19.617 0.711 -1.669) 19.701 14.942 ( -7.637 -16.751 -3.908) 18.820 15.018 ( 5.232 -11.656 -0.246) 12.779 17.025 ( -21.051 -24.736 3.133) 32.632 19.151 ( 2.761 8.952 0.754) 9.398======================= Grid point 518 (104/119) =======================q-point: ( 0.33 0.13 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.743 ( 8.588 8.562 -2.911) 12.471 2.244 ( -1.273 5.723 0.694) 5.904 2.477 ( 1.258 2.276 -0.533) 2.655 2.657 ( -0.763 11.049 3.783) 11.704 2.972 ( 5.141 21.469 0.867) 22.093 3.643 ( 0.892 10.311 2.354) 10.614 3.853 ( 16.262 7.027 -16.215) 24.016 4.437 ( 1.136 -0.533 3.979) 4.172 4.815 ( 12.510 0.777 -2.346) 12.752 5.592 ( -11.764 -9.147 6.103) 16.103 5.807 ( -9.439 -5.344 -6.966) 12.891 6.309 ( -10.619 -9.503 2.592) 14.484 6.851 ( -29.807 -0.478 -14.614) 33.201 8.320 ( 4.012 -12.888 9.047) 16.249 8.666 ( -10.113 -4.849 3.393) 11.717 9.131 ( -13.417 5.075 -10.337) 17.681 9.648 ( 11.214 -9.740 4.973) 15.664 9.898 ( 12.611 4.693 10.342) 16.971 11.179 ( 9.216 -8.090 -0.296) 12.267 11.352 ( -0.986 -9.012 8.095) 12.154 12.356 ( 7.560 10.003 -3.402) 12.992 12.646 ( 8.686 16.307 3.527) 18.810 13.439 ( -20.577 5.412 -3.612) 21.581 14.614 ( -11.225 -15.303 -9.299) 21.135 15.011 ( 7.202 -12.640 -0.449) 14.555 16.492 ( -15.058 -18.138 3.874) 23.890 19.278 ( 0.945 9.271 0.479) 9.331======================= Grid point 519 (105/119) =======================q-point: ( 0.40 0.13 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.923 ( 4.277 4.108 -0.549) 5.956 2.236 ( -2.357 0.957 -0.409) 2.577 2.497 ( -1.063 2.485 -0.413) 2.734 2.745 ( -2.321 10.287 2.632) 10.869 3.202 ( -4.305 20.731 0.106) 21.174 3.728 ( 1.537 2.595 1.099) 3.210 4.170 ( 7.057 6.451 -12.261) 15.548 4.365 ( -3.221 -3.371 4.246) 6.306 4.960 ( 6.036 -3.662 -1.715) 7.265 5.387 ( 1.386 -9.645 5.849) 11.365 5.678 ( -1.456 -3.233 -3.765) 5.171 6.095 ( -4.911 -4.920 3.080) 7.604 6.458 ( -21.670 13.261 -13.244) 28.651 8.229 ( 0.264 -10.740 1.942) 10.917 8.557 ( -4.177 4.545 1.674) 6.396 8.991 ( -7.351 5.773 -4.552) 10.396 9.669 ( 10.222 -18.288 -2.164) 21.062 10.161 ( 6.287 7.695 12.081) 15.643 11.229 ( 6.924 -9.495 2.352) 11.985 11.265 ( 2.883 -9.940 7.045) 12.520 12.549 ( 4.909 4.948 -3.143) 7.646 12.972 ( 4.861 15.495 10.293) 19.227 13.230 ( -9.002 13.005 -5.942) 16.896 14.248 ( -14.640 -12.661 -12.892) 23.256 15.010 ( 7.581 -13.146 -0.729) 15.193 16.192 ( -2.747 -9.456 4.258) 10.728 19.355 ( -2.210 8.067 0.216) 8.367======================= Grid point 520 (106/119) =======================q-point: (-0.53 0.13 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.943 ( -4.097 -1.528 -2.122) 4.860 2.219 ( -0.688 2.124 0.929) 2.418 2.497 ( -1.762 1.887 -0.331) 2.603 2.769 ( -5.600 8.418 1.049) 10.165 3.204 ( -15.285 13.931 -0.018) 20.681 3.750 ( -1.051 0.401 -0.779) 1.369 3.985 ( -18.059 -4.692 2.918) 18.885 4.471 ( 6.135 1.074 -4.761) 7.840 4.951 ( -0.836 -7.321 -0.914) 7.425 5.485 ( 17.148 -5.583 -1.730) 18.116 5.672 ( 3.380 -0.970 -3.074) 4.671 6.068 ( 3.974 2.946 5.120) 7.120 6.398 ( -7.471 24.412 -8.638) 26.951 8.154 ( 0.579 -3.550 6.397) 7.339 8.577 ( 2.001 2.884 0.505) 3.546 9.018 ( 1.570 8.588 -4.466) 9.807 9.661 ( 9.451 -17.230 -2.193) 19.773 10.209 ( -5.193 0.345 7.389) 9.038 11.223 ( 3.547 -11.569 1.715) 12.221 11.284 ( 9.650 -6.735 6.648) 13.516 12.553 ( -6.079 -2.291 -3.528) 7.393 13.098 ( -2.350 20.658 6.116) 21.672 13.308 ( -7.335 0.449 -18.568) 19.970 14.012 ( 2.255 2.502 6.946) 7.719 15.009 ( 7.595 -13.252 -0.557) 15.284 16.221 ( 11.784 -1.358 1.711) 11.985 19.358 ( -5.605 6.006 -0.003) 8.215======================= Grid point 521 (107/119) =======================q-point: (-0.47 0.13 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.768 ( -11.755 -4.454 -4.921) 13.499 2.235 ( -3.038 5.041 1.098) 5.987 2.453 ( -3.974 -1.136 1.809) 4.511 2.729 ( -7.747 6.886 -0.886) 10.403 2.987 ( -20.207 5.790 -0.226) 21.022 3.599 ( -17.379 -1.333 2.577) 17.619 3.721 ( -6.161 -0.254 -3.191) 6.943 4.494 ( -1.894 -3.258 -0.858) 3.866 4.789 ( -7.425 -10.454 -0.200) 12.824 5.687 ( 8.119 -0.299 -2.067) 8.383 5.848 ( 14.594 4.236 -10.203) 18.304 6.322 ( 18.931 4.931 4.187) 20.005 6.648 ( 4.693 30.315 0.421) 30.679 8.224 ( 7.641 3.736 13.617) 16.055 8.681 ( 10.717 -3.466 0.669) 11.284 9.166 ( 3.493 9.670 -4.739) 11.321 9.657 ( 8.121 -13.587 -1.967) 15.950 10.027 ( -11.047 -6.118 1.199) 12.684 11.149 ( 2.529 -13.089 1.926) 13.469 11.406 ( 9.505 -4.347 4.073) 11.218 12.366 ( -11.503 -2.274 -4.155) 12.440 12.944 ( -20.613 -8.420 -24.344) 32.992 13.351 ( 4.575 22.439 5.397) 23.528 14.328 ( 19.173 10.608 15.797) 27.013 15.010 ( 7.485 -12.744 -0.226) 14.781 16.539 ( 23.174 3.206 -0.136) 23.395 19.285 ( -8.133 3.682 -0.168) 8.929======================= Grid point 522 (108/119) =======================q-point: (-0.40 0.13 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.496 ( -13.607 -2.969 -7.359) 15.752 2.151 ( -13.079 4.732 1.054) 13.948 2.369 ( -3.230 -3.156 2.000) 4.939 2.624 ( -11.759 4.493 -2.064) 12.756 2.665 ( -19.886 1.317 -0.030) 19.930 3.351 ( -9.701 -0.526 1.613) 9.848 3.611 ( -7.430 2.004 -5.104) 9.234 4.351 ( -9.885 -5.460 4.226) 12.058 4.506 ( -12.241 -10.324 -3.122) 16.315 5.854 ( 10.473 3.689 1.488) 11.203 6.175 ( 15.402 9.748 -9.406) 20.512 6.686 ( 18.033 2.215 -4.248) 18.659 7.129 ( 14.510 26.379 9.073) 31.444 8.431 ( 10.341 1.611 14.040) 17.512 8.900 ( 18.242 -2.386 4.567) 18.956 9.303 ( 3.563 7.035 2.026) 8.142 9.673 ( 5.719 -9.190 -0.453) 10.834 9.773 ( -6.571 -8.969 -14.732) 18.457 11.064 ( 2.527 -12.249 0.584) 12.521 11.479 ( 2.792 -3.591 0.972) 4.652 12.131 ( -13.340 -2.135 -5.323) 14.520 12.585 ( -11.946 -2.947 -15.394) 19.707 13.688 ( 9.084 20.758 5.668) 23.357 14.761 ( 19.148 7.298 11.264) 23.383 15.018 ( 7.457 -10.806 -0.007) 13.130 17.053 ( 31.369 4.649 0.757) 31.721 19.163 ( -8.704 1.607 -0.229) 8.854======================= Grid point 523 (109/119) =======================q-point: (-0.33 0.13 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.308 ( -5.482 0.113 -8.290) 9.939 1.926 ( -14.943 0.789 3.383) 15.342 2.185 ( -15.866 -2.830 -1.474) 16.184 2.379 ( -17.633 2.434 -2.767) 18.015 2.441 ( -8.723 0.789 -0.044) 8.758 3.220 ( -7.227 0.520 1.515) 7.403 3.511 ( -6.035 -0.319 -4.006) 7.251 4.019 ( -20.725 -7.118 6.819) 22.950 4.238 ( -9.405 -3.593 -6.237) 11.844 6.150 ( 19.251 5.047 4.775) 20.466 6.566 ( 15.352 14.754 -5.956) 22.110 6.963 ( 14.992 -6.641 -5.287) 17.228 7.550 ( 11.212 13.147 5.226) 18.051 8.517 ( -2.598 0.010 12.761) 13.023 9.215 ( 20.650 -3.487 6.454) 21.914 9.460 ( 4.734 -1.717 11.547) 12.597 9.616 ( 6.131 -0.742 -8.639) 10.620 9.793 ( 12.388 -3.678 -20.718) 24.418 10.993 ( 0.359 -7.376 -3.158) 8.032 11.459 ( -0.291 -1.204 0.545) 1.353 11.874 ( -13.582 -1.468 -4.079) 14.257 12.477 ( -0.850 -0.251 -5.865) 5.932 14.051 ( 12.230 13.978 4.174) 19.036 14.998 ( 6.144 -5.123 3.163) 8.602 15.162 ( 14.587 3.061 2.713) 15.149 17.690 ( 37.372 3.663 3.740) 37.736 19.036 ( -6.523 0.077 -0.063) 6.524======================= Grid point 531 (110/119) =======================q-point: ( 0.20 0.20 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.471 ( 6.372 10.771 -7.384) 14.531 2.199 ( 6.615 14.386 2.970) 16.110 2.344 ( 3.254 2.261 -0.296) 3.973 2.645 ( 5.339 12.921 1.163) 14.029 2.695 ( 9.009 15.612 -0.109) 18.025 3.371 ( 8.113 6.106 -4.756) 11.213 3.635 ( 3.223 9.858 -2.053) 10.573 4.273 ( 5.471 10.570 6.158) 13.400 4.404 ( 6.392 9.307 -5.462) 12.542 5.914 ( -5.129 -12.216 1.438) 13.327 6.277 ( -11.682 -17.813 -6.398) 22.242 6.681 ( -10.015 -13.799 -3.684) 17.444 7.548 ( 6.092 -9.153 0.604) 11.012 8.299 ( -16.515 -13.203 8.425) 22.761 8.959 ( -2.005 -14.770 16.484) 22.224 9.401 ( 0.348 0.308 10.074) 10.085 9.533 ( -5.983 5.772 -12.686) 15.167 9.605 ( -3.054 -4.930 -10.555) 12.043 10.951 ( 0.768 -0.801 -0.350) 1.163 11.428 ( -2.894 -2.627 1.386) 4.147 12.104 ( 6.568 12.345 -4.584) 14.715 12.524 ( 0.769 8.804 -5.978) 10.670 13.949 ( -2.898 -8.973 1.955) 9.630 14.860 ( -2.218 -7.628 1.284) 8.047 14.899 ( -6.922 -17.469 2.186) 18.917 17.092 ( -17.261 -28.386 1.880) 33.275 19.178 ( 4.482 8.435 0.169) 9.553======================= Grid point 532 (111/119) =======================q-point: ( 0.27 0.20 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.702 ( 7.149 10.456 -4.173) 13.337 2.314 ( -1.988 1.944 1.884) 3.359 2.472 ( 5.249 6.997 -1.048) 8.809 2.787 ( -0.379 10.856 3.993) 11.573 3.054 ( 9.808 20.850 0.913) 23.060 3.638 ( 13.725 8.145 -9.415) 18.530 3.790 ( 0.592 12.918 -1.310) 12.998 4.405 ( 2.631 2.680 3.308) 5.004 4.617 ( 10.296 2.548 -2.671) 10.938 5.675 ( -9.998 -12.531 1.051) 16.065 5.929 ( -11.572 -9.693 -5.200) 15.966 6.318 ( -10.153 -20.289 -0.922) 22.706 7.396 ( -23.066 5.963 -6.824) 24.783 8.046 ( 7.818 -16.581 9.584) 20.686 8.757 ( -6.064 -7.837 6.662) 11.941 9.314 ( -5.300 -7.078 -6.939) 11.240 9.449 ( -2.053 -7.339 -6.736) 10.171 9.777 ( 10.672 15.814 13.333) 23.275 10.993 ( 5.296 -2.627 0.173) 5.915 11.301 ( -4.300 -9.321 5.330) 11.566 12.332 ( 6.589 10.186 -4.761) 13.032 12.701 ( 4.887 17.070 -3.359) 18.070 13.777 ( -11.702 0.465 -0.981) 11.752 14.603 ( -7.111 -16.821 0.239) 18.264 14.774 ( 3.647 -12.297 -0.658) 12.843 16.555 ( -15.290 -22.067 1.985) 26.920 19.337 ( 3.281 9.259 0.136) 9.824======================= Grid point 533 (112/119) =======================q-point: ( 0.33 0.20 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.897 ( 5.018 6.937 -1.755) 8.740 2.271 ( -2.189 -1.890 0.346) 2.913 2.566 ( -1.234 5.691 -1.431) 5.996 2.883 ( -1.163 10.497 3.674) 11.182 3.410 ( 6.216 21.383 0.097) 22.269 3.815 ( -5.330 7.768 0.894) 9.463 4.024 ( 14.843 9.469 -10.205) 20.350 4.414 ( -2.879 -1.543 3.004) 4.438 4.782 ( 9.335 -4.184 -1.382) 10.323 5.328 ( -9.847 -17.209 2.205) 19.949 5.705 ( -6.293 -4.536 -3.980) 8.719 6.024 ( -1.440 -16.434 0.069) 16.497 7.057 ( -26.427 18.092 -5.433) 32.484 8.065 ( 6.951 -11.826 4.218) 14.351 8.665 ( -2.237 4.762 0.421) 5.278 9.155 ( -4.208 -6.504 -3.575) 8.531 9.335 ( 1.500 -13.689 -5.433) 14.804 10.116 ( 9.879 12.573 12.390) 20.228 11.048 ( 4.672 -5.880 1.826) 7.729 11.137 ( -0.888 -11.329 6.867) 13.277 12.517 ( 4.920 6.017 -4.677) 9.071 13.008 ( 8.170 19.686 3.352) 21.576 13.589 ( -14.512 9.368 -3.286) 17.583 14.316 ( -8.745 -14.391 -4.838) 17.520 14.734 ( 7.126 -14.855 -1.808) 16.574 16.163 ( -7.806 -14.625 3.481) 16.939 19.458 ( 0.244 8.387 0.008) 8.391======================= Grid point 534 (113/119) =======================q-point: ( 0.40 0.20 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.989 ( -0.856 2.538 -1.233) 2.948 2.228 ( 0.039 -1.187 0.084) 1.191 2.577 ( -2.924 4.929 -1.436) 5.908 2.935 ( -3.721 8.140 2.170) 9.209 3.621 ( -12.259 19.497 -0.392) 23.034 3.759 ( 0.231 2.220 0.357) 2.260 4.229 ( -13.086 -2.203 0.942) 13.303 4.350 ( 9.993 3.222 -4.112) 11.276 4.840 ( 4.588 -8.583 -0.612) 9.752 5.154 ( 9.757 -11.966 -0.402) 15.445 5.621 ( 0.512 -1.849 -2.955) 3.523 5.934 ( 5.368 -9.794 0.614) 11.185 6.901 ( -17.762 27.839 -2.989) 33.158 8.042 ( 3.315 -8.208 3.014) 9.351 8.696 ( -5.473 8.318 -0.732) 9.984 9.090 ( 0.438 3.264 -4.726) 5.760 9.260 ( 10.725 -21.092 -2.567) 23.801 10.294 ( -1.270 5.350 8.404) 10.043 11.032 ( 7.940 -11.380 7.409) 15.730 11.090 ( 2.163 -5.661 2.331) 6.493 12.595 ( -0.422 0.621 -4.645) 4.705 13.295 ( 1.942 15.447 6.437) 16.847 13.507 ( -9.428 13.308 -8.077) 18.199 14.043 ( -6.390 -6.607 -2.193) 9.449 14.720 ( 8.779 -15.587 -1.654) 17.966 16.032 ( 5.185 -6.677 2.977) 8.963 19.504 ( -3.621 6.401 -0.117) 7.355======================= Grid point 536 (114/119) =======================q-point: (-0.53 0.20 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.909 ( -8.153 -1.502 -2.689) 8.716 2.261 ( 2.648 1.620 1.164) 3.316 2.558 ( -5.140 3.701 -0.625) 6.364 2.918 ( -6.242 5.786 1.238) 8.601 3.406 ( -21.021 5.267 0.371) 21.674 3.838 ( -3.723 6.942 -2.194) 8.177 3.896 ( -18.184 -1.899 1.093) 18.315 4.470 ( 1.994 -0.910 -1.704) 2.776 4.768 ( -1.786 -10.343 -0.288) 10.501 5.400 ( 22.421 -2.879 -3.805) 22.923 5.692 ( 7.211 3.281 -2.749) 8.385 6.018 ( 14.620 -6.112 0.569) 15.856 6.994 ( -6.791 32.268 -0.001) 32.975 8.049 ( 7.591 -8.814 5.106) 12.703 8.643 ( -4.698 3.896 1.173) 6.215 9.207 ( 3.507 8.596 -7.449) 11.903 9.297 ( 15.275 -16.975 -0.109) 22.837 10.178 ( -11.830 -3.300 5.875) 13.614 11.036 ( 0.138 -6.643 2.315) 7.036 11.153 ( 13.035 -5.633 6.021) 15.424 12.516 ( -7.602 -1.296 -4.510) 8.934 13.213 ( -18.790 -5.762 -15.185) 24.837 13.525 ( -1.075 18.593 2.735) 18.824 14.146 ( 13.227 8.884 9.614) 18.609 14.728 ( 9.322 -14.025 -0.836) 16.861 16.194 ( 17.482 -1.389 0.800) 17.555 19.460 ( -7.226 3.901 -0.185) 8.214======================= Grid point 537 (115/119) =======================q-point: (-0.47 0.20 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.707 ( -12.806 -1.600 -4.593) 13.698 2.325 ( 1.847 2.498 0.896) 3.233 2.444 ( -11.127 0.686 1.346) 11.229 2.832 ( -8.643 2.053 1.258) 8.972 3.057 ( -22.743 1.520 0.696) 22.805 3.557 ( -15.289 -0.350 -4.692) 15.997 3.805 ( -9.854 4.882 -1.575) 11.109 4.429 ( -4.189 -2.830 1.658) 5.321 4.597 ( -7.580 -6.407 -1.361) 10.018 5.692 ( 12.820 0.245 -0.834) 12.849 5.943 ( 16.064 3.713 -5.848) 17.494 6.328 ( 23.994 -2.088 -1.649) 24.141 7.275 ( 2.451 28.957 3.787) 29.306 8.117 ( 14.196 -14.772 3.532) 20.789 8.699 ( 7.252 5.089 8.272) 12.121 9.337 ( 3.813 4.142 -6.092) 8.295 9.419 ( 11.413 -5.821 -1.257) 12.873 9.876 ( -15.130 -8.407 1.957) 17.419 10.971 ( -0.735 -4.049 1.890) 4.528 11.325 ( 10.625 -3.169 3.639) 11.670 12.334 ( -11.744 -0.836 -4.841) 12.730 12.803 ( -18.434 -5.919 -13.052) 23.349 13.737 ( 5.472 13.792 3.267) 15.193 14.514 ( 18.078 7.726 7.465) 21.029 14.767 ( 9.035 -9.300 0.162) 12.967 16.575 ( 26.566 0.341 0.349) 26.570 19.340 ( -9.514 1.477 -0.130) 9.629======================= Grid point 548 (116/119) =======================q-point: ( 0.27 0.27 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.891 ( 4.487 8.318 -2.393) 9.749 2.278 ( -1.779 -3.514 0.777) 4.015 2.608 ( 3.328 4.961 -1.069) 6.069 2.966 ( 2.317 6.615 2.865) 7.572 3.449 ( 10.654 18.217 0.547) 21.111 3.860 ( 10.726 13.929 -5.695) 18.480 3.990 ( 4.143 6.122 -0.110) 7.393 4.444 ( -1.467 1.088 1.375) 2.286 4.637 ( 1.044 -0.030 -1.332) 1.693 5.355 ( -13.938 -20.141 -1.128) 24.519 5.765 ( -3.249 -6.884 -2.484) 8.007 5.914 ( -9.693 -16.464 -1.432) 19.159 7.511 ( 6.686 1.758 -0.340) 6.922 7.813 ( -5.346 -3.779 3.434) 7.392 8.707 ( 2.894 2.919 1.691) 4.444 9.065 ( -10.638 -14.228 -0.574) 17.774 9.337 ( -1.499 -6.167 -8.547) 10.646 10.109 ( 6.496 15.740 8.878) 19.203 10.972 ( -0.093 -0.793 2.130) 2.275 11.089 ( -6.483 -10.440 6.240) 13.783 12.503 ( 4.017 6.852 -5.102) 9.441 13.094 ( 5.916 21.400 -5.764) 22.939 13.772 ( 2.202 -1.120 0.193) 2.478 14.286 ( -4.581 -14.852 3.370) 15.904 14.554 ( -4.518 -9.307 -1.513) 10.456 16.169 ( -10.544 -16.295 1.601) 19.475 19.500 ( 3.823 6.760 -0.165) 7.768======================= Grid point 549 (117/119) =======================q-point: ( 0.33 0.27 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.021 ( 2.050 5.615 -1.257) 6.108 2.209 ( -1.289 -3.903 -0.126) 4.112 2.661 ( -1.080 3.361 -1.841) 3.982 3.043 ( -0.556 5.403 2.152) 5.842 3.749 ( 5.790 10.448 0.532) 11.957 4.011 ( -9.011 13.345 -0.376) 16.107 4.205 ( 12.252 8.343 -3.621) 15.259 4.386 ( -6.497 -0.648 1.438) 6.685 4.646 ( 5.502 -9.398 -0.607) 10.906 4.951 ( -4.928 -18.793 -0.548) 19.436 5.636 ( -4.969 -2.291 -2.803) 6.148 5.746 ( 3.645 -10.376 -1.115) 11.054 7.476 ( -17.049 22.230 0.182) 28.015 7.878 ( 9.441 -6.679 2.759) 11.889 8.789 ( 4.408 -14.017 0.998) 14.728 8.850 ( 1.105 3.315 -2.102) 4.078 9.207 ( -5.247 -5.206 -9.396) 11.955 10.355 ( 4.090 11.409 8.287) 14.682 10.835 ( -1.068 -13.510 6.760) 15.145 11.028 ( 1.166 -1.304 3.430) 3.851 12.598 ( 1.446 2.383 -5.530) 6.193 13.401 ( 4.840 18.949 2.401) 19.704 13.785 ( -5.589 8.084 -3.507) 10.435 14.066 ( -6.047 -8.791 0.374) 10.676 14.433 ( 4.734 -15.199 -3.207) 16.239 15.925 ( -2.181 -8.899 2.905) 9.612 19.593 ( 0.033 4.876 -0.236) 4.882======================= Grid point 550 (118/119) =======================q-point: (-0.60 0.27 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.023 ( -5.673 0.850 -1.435) 5.913 2.207 ( 3.807 -0.646 0.056) 3.861 2.661 ( -2.510 2.664 -1.749) 4.057 3.048 ( -3.746 2.855 1.784) 5.037 3.746 ( -12.193 0.552 0.774) 12.230 4.016 ( -6.370 14.417 -0.955) 15.790 4.163 ( -14.930 -3.084 -0.132) 15.246 4.421 ( 3.872 2.702 -1.303) 4.898 4.638 ( 5.165 -9.728 -0.077) 11.015 4.965 ( 20.216 -6.026 -1.659) 21.160 5.629 ( 3.906 3.077 -2.237) 5.452 5.749 ( 7.312 -8.021 -1.424) 10.947 7.466 ( -12.330 26.463 1.156) 29.218 7.868 ( 0.937 -11.116 3.187) 11.602 8.816 ( 10.638 -10.643 2.362) 15.233 8.842 ( -2.806 -0.591 -4.877) 5.658 9.194 ( 5.839 3.006 -8.052) 10.390 10.364 ( -10.755 1.549 7.212) 13.042 10.840 ( 12.919 -6.230 6.449) 15.727 11.024 ( -0.022 -1.339 3.759) 3.990 12.598 ( -2.834 -0.033 -5.481) 6.171 13.473 ( -14.442 0.456 -3.366) 14.836 13.737 ( -4.735 10.095 0.523) 11.163 14.041 ( 6.373 5.027 1.901) 8.337 14.426 ( 10.419 -11.811 -2.394) 15.930 15.932 ( 9.579 -3.034 2.284) 10.304 19.593 ( -4.200 2.387 -0.260) 4.838======================= Grid point 564 (119/119) =======================q-point: ( 0.33 0.33 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 193Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.123 ( -2.105 -4.209 -0.740) 4.764 2.123 ( 2.105 4.209 -0.740) 4.764 2.693 ( -0.000 -0.000 -2.079) 2.079 3.096 ( -0.000 -0.000 1.569) 1.569 3.838 ( 0.000 -0.000 1.372) 1.372 4.262 ( -2.692 -5.383 -1.057) 6.111 4.262 ( 2.691 5.383 -1.057) 6.110 4.449 ( -3.038 -6.075 0.314) 6.799 4.449 ( 3.038 6.075 0.314) 6.799 4.708 ( -0.000 -0.000 -1.824) 1.824 5.627 ( -0.947 -1.894 -2.205) 3.057 5.627 ( 0.947 1.894 -2.205) 3.057 7.795 ( -1.887 -3.774 3.132) 5.255 7.795 ( 1.887 3.774 3.132) 5.255 8.501 ( 0.000 -0.000 -0.082) 0.082 9.058 ( -4.395 -8.790 -6.673) 11.879 9.058 ( 4.395 8.790 -6.673) 11.879 10.580 ( -5.286 -10.572 7.061) 13.768 10.580 ( 5.286 10.572 7.061) 13.768 11.020 ( -0.000 -0.000 3.864) 3.864 12.620 ( -0.000 -0.000 -5.929) 5.929 13.715 ( -5.022 -10.044 1.818) 11.376 13.715 ( 5.022 10.044 1.818) 11.376 14.146 ( -5.670 -11.340 -3.297) 13.100 14.146 ( 5.670 11.340 -3.297) 13.100 15.831 ( -0.000 -0.000 2.782) 2.782 19.643 ( -0.000 -0.000 -0.303) 0.303=================== 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 3/30375 10.0 2363.183 2363.183 1969.066 -0.000 -0.000 0.000 3/30375 20.0 281.044 281.044 235.982 -0.000 -0.000 0.000 3/30375 30.0 104.536 104.536 86.264 -0.000 -0.000 0.000 3/30375 40.0 58.023 58.023 46.666 -0.000 -0.000 0.000 3/30375 50.0 38.724 38.724 30.469 -0.000 -0.000 0.000 3/30375 60.0 28.579 28.579 22.117 -0.000 -0.000 0.000 3/30375 70.0 22.454 22.454 17.168 -0.000 -0.000 0.000 3/30375 80.0 18.408 18.408 13.957 -0.000 -0.000 0.000 3/30375 90.0 15.563 15.563 11.731 -0.000 -0.000 0.000 3/30375 100.0 13.468 13.468 10.112 -0.000 -0.000 0.000 3/30375 110.0 11.869 11.869 8.888 -0.000 -0.000 0.000 3/30375 120.0 10.612 10.612 7.932 -0.000 -0.000 0.000 3/30375 130.0 9.601 9.601 7.167 -0.000 -0.000 0.000 3/30375 140.0 8.772 8.772 6.540 -0.000 -0.000 0.000 3/30375 150.0 8.079 8.079 6.019 -0.000 -0.000 0.000 3/30375 160.0 7.492 7.492 5.577 -0.000 -0.000 0.000 3/30375 170.0 6.989 6.989 5.198 -0.000 -0.000 0.000 3/30375 180.0 6.552 6.552 4.870 -0.000 -0.000 0.000 3/30375 190.0 6.169 6.169 4.582 -0.000 -0.000 0.000 3/30375 200.0 5.831 5.831 4.328 -0.000 -0.000 0.000 3/30375 210.0 5.530 5.530 4.101 -0.000 -0.000 0.000 3/30375 220.0 5.260 5.260 3.898 -0.000 -0.000 0.000 3/30375 230.0 5.016 5.016 3.715 -0.000 -0.000 0.000 3/30375 240.0 4.795 4.795 3.549 -0.000 -0.000 0.000 3/30375 250.0 4.593 4.593 3.398 -0.000 -0.000 0.000 3/30375 260.0 4.409 4.409 3.259 -0.000 -0.000 0.000 3/30375 270.0 4.239 4.239 3.131 -0.000 -0.000 0.000 3/30375 280.0 4.082 4.082 3.014 -0.000 -0.000 0.000 3/30375 290.0 3.937 3.937 2.905 -0.000 -0.000 0.000 3/30375 300.0 3.802 3.802 2.804 -0.000 -0.000 0.000 3/30375 310.0 3.676 3.676 2.710 -0.000 -0.000 0.000 3/30375 320.0 3.559 3.559 2.622 -0.000 -0.000 0.000 3/30375 330.0 3.449 3.449 2.540 -0.000 -0.000 0.000 3/30375 340.0 3.345 3.345 2.462 -0.000 -0.000 0.000 3/30375 350.0 3.248 3.248 2.390 -0.000 -0.000 0.000 3/30375 360.0 3.157 3.157 2.322 -0.000 -0.000 0.000 3/30375 370.0 3.070 3.070 2.257 -0.000 -0.000 0.000 3/30375 380.0 2.988 2.988 2.196 -0.000 -0.000 0.000 3/30375 390.0 2.911 2.911 2.139 -0.000 -0.000 0.000 3/30375 400.0 2.838 2.838 2.084 -0.000 -0.000 0.000 3/30375 410.0 2.768 2.768 2.032 -0.000 -0.000 0.000 3/30375 420.0 2.701 2.701 1.983 -0.000 -0.000 0.000 3/30375 430.0 2.638 2.638 1.936 -0.000 -0.000 0.000 3/30375 440.0 2.578 2.578 1.891 -0.000 -0.000 0.000 3/30375 450.0 2.520 2.520 1.848 -0.000 -0.000 0.000 3/30375 460.0 2.465 2.465 1.807 -0.000 -0.000 0.000 3/30375 470.0 2.412 2.412 1.768 -0.000 -0.000 0.000 3/30375 480.0 2.362 2.362 1.731 -0.000 -0.000 0.000 3/30375 490.0 2.313 2.313 1.695 -0.000 -0.000 0.000 3/30375 500.0 2.267 2.267 1.661 -0.000 -0.000 0.000 3/30375 510.0 2.222 2.222 1.628 -0.000 -0.000 0.000 3/30375 520.0 2.180 2.180 1.596 -0.000 -0.000 0.000 3/30375 530.0 2.138 2.138 1.566 -0.000 -0.000 0.000 3/30375 540.0 2.099 2.099 1.536 -0.000 -0.000 0.000 3/30375 550.0 2.060 2.060 1.508 -0.000 -0.000 0.000 3/30375 560.0 2.024 2.024 1.481 -0.000 -0.000 0.000 3/30375 570.0 1.988 1.988 1.455 -0.000 -0.000 0.000 3/30375 580.0 1.954 1.954 1.429 -0.000 -0.000 0.000 3/30375 590.0 1.920 1.920 1.405 -0.000 -0.000 0.000 3/30375 600.0 1.888 1.888 1.381 -0.000 -0.000 0.000 3/30375 610.0 1.857 1.857 1.358 -0.000 -0.000 0.000 3/30375 620.0 1.827 1.827 1.336 -0.000 -0.000 0.000 3/30375 630.0 1.798 1.798 1.315 -0.000 -0.000 0.000 3/30375 640.0 1.770 1.770 1.294 -0.000 -0.000 0.000 3/30375 650.0 1.743 1.743 1.274 -0.000 -0.000 0.000 3/30375 660.0 1.717 1.717 1.255 -0.000 -0.000 0.000 3/30375 670.0 1.691 1.691 1.236 -0.000 -0.000 0.000 3/30375 680.0 1.666 1.666 1.217 -0.000 -0.000 0.000 3/30375 690.0 1.642 1.642 1.200 -0.000 -0.000 0.000 3/30375 700.0 1.618 1.618 1.182 -0.000 -0.000 0.000 3/30375 710.0 1.596 1.596 1.166 -0.000 -0.000 0.000 3/30375 720.0 1.573 1.573 1.149 -0.000 -0.000 0.000 3/30375 730.0 1.552 1.552 1.134 -0.000 -0.000 0.000 3/30375 740.0 1.531 1.531 1.118 -0.000 -0.000 0.000 3/30375 750.0 1.511 1.511 1.103 -0.000 -0.000 0.000 3/30375 760.0 1.491 1.491 1.089 -0.000 -0.000 0.000 3/30375 770.0 1.471 1.471 1.074 -0.000 -0.000 0.000 3/30375 780.0 1.452 1.452 1.061 -0.000 -0.000 0.000 3/30375 790.0 1.434 1.434 1.047 -0.000 -0.000 0.000 3/30375 800.0 1.416 1.416 1.034 -0.000 -0.000 0.000 3/30375 810.0 1.399 1.399 1.021 -0.000 -0.000 0.000 3/30375 820.0 1.382 1.382 1.009 -0.000 -0.000 0.000 3/30375 830.0 1.365 1.365 0.996 -0.000 -0.000 0.000 3/30375 840.0 1.349 1.349 0.984 -0.000 -0.000 0.000 3/30375 850.0 1.333 1.333 0.973 -0.000 -0.000 0.000 3/30375 860.0 1.317 1.317 0.961 -0.000 -0.000 0.000 3/30375 870.0 1.302 1.302 0.950 -0.000 -0.000 0.000 3/30375 880.0 1.287 1.287 0.940 -0.000 -0.000 0.000 3/30375 890.0 1.273 1.273 0.929 -0.000 -0.000 0.000 3/30375 900.0 1.259 1.259 0.919 -0.000 -0.000 0.000 3/30375 910.0 1.245 1.245 0.908 -0.000 -0.000 0.000 3/30375 920.0 1.231 1.231 0.899 -0.000 -0.000 0.000 3/30375 930.0 1.218 1.218 0.889 -0.000 -0.000 0.000 3/30375 940.0 1.205 1.205 0.879 -0.000 -0.000 0.000 3/30375 950.0 1.193 1.193 0.870 -0.000 -0.000 0.000 3/30375 960.0 1.180 1.180 0.861 -0.000 -0.000 0.000 3/30375 970.0 1.168 1.168 0.852 -0.000 -0.000 0.000 3/30375 980.0 1.156 1.156 0.843 -0.000 -0.000 0.000 3/30375 990.0 1.144 1.144 0.835 -0.000 -0.000 0.000 3/30375 1000.0 1.133 1.133 0.826 -0.000 -0.000 0.000 3/30375Thermal conductivity related properties were written into "kappa-m15155.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 06:32:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|