----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:17:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-31m (162) Number of symmetry operations in supercell: 144 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.314492819848446 0.000000000000000 0.000000000000000 b -2.657246409924223 4.602485790218750 0.000000000000000 c 0.000000000000000 0.000000000000000 4.902507210000000 Atomic positions (fractional): *1 Hg 0.00000000000000 0.00000000000000 0.00000000000000 200.590 *2 Sb 0.33333333333333 0.66666666666667 0.50000000000000 121.760 3 Sb 0.66666666666667 0.33333333333333 0.50000000000000 121.760 *4 O 0.00000000000000 0.62940485460796 0.72351932216740 15.999 5 O 0.00000000000000 0.37059514539204 0.27648067783260 15.999 6 O 0.37059514539204 0.37059514539204 0.72351932216740 15.999 7 O 0.62940485460796 0.62940485460796 0.27648067783260 15.999 8 O 0.37059514539204 0.00000000000000 0.27648067783260 15.999 9 O 0.62940485460796 0.00000000000000 0.72351932216740 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.314492819848446 0.000000000000000 0.000000000000000 b -2.657246409924223 4.602485790218750 0.000000000000000 c 0.000000000000000 0.000000000000000 4.902507210000000 Atomic positions (fractional): *1 Hg 0.00000000000000 0.00000000000000 0.00000000000000 200.590 > 1 *2 Sb 0.33333333333333 0.66666666666667 0.50000000000000 121.760 > 2 3 Sb 0.66666666666667 0.33333333333333 0.50000000000000 121.760 > 3 *4 O 0.00000000000000 0.62940485460796 0.72351932216740 15.999 > 4 5 O 0.00000000000000 0.37059514539204 0.27648067783260 15.999 > 5 6 O 0.37059514539204 0.37059514539204 0.72351932216740 15.999 > 6 7 O 0.62940485460796 0.62940485460796 0.27648067783260 15.999 > 7 8 O 0.37059514539204 0.00000000000000 0.27648067783260 15.999 > 8 9 O 0.62940485460796 0.00000000000000 0.72351932216740 15.999 > 9 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.628985639696891 0.000000000000000 0.000000000000000 b -5.314492819848446 9.204971580437499 0.000000000000000 c 0.000000000000000 0.000000000000000 14.707521629999999 Atomic positions (fractional): *1 Hg 0.00000000000000 0.00000000000000 0.00000000000000 200.590 > 1 2 Hg 0.50000000000000 0.00000000000000 0.00000000000000 200.590 > 1 3 Hg 0.00000000000000 0.50000000000000 0.00000000000000 200.590 > 1 4 Hg 0.50000000000000 0.50000000000000 0.00000000000000 200.590 > 1 5 Hg 0.00000000000000 0.00000000000000 0.33333333333333 200.590 > 1 6 Hg 0.50000000000000 0.00000000000000 0.33333333333333 200.590 > 1 7 Hg 0.00000000000000 0.50000000000000 0.33333333333333 200.590 > 1 8 Hg 0.50000000000000 0.50000000000000 0.33333333333333 200.590 > 1 9 Hg 0.00000000000000 0.00000000000000 0.66666666666667 200.590 > 1 10 Hg 0.50000000000000 0.00000000000000 0.66666666666667 200.590 > 1 11 Hg 0.00000000000000 0.50000000000000 0.66666666666667 200.590 > 1 12 Hg 0.50000000000000 0.50000000000000 0.66666666666667 200.590 > 1 *13 Sb 0.16666666666667 0.33333333333333 0.16666666666667 121.760 > 2 14 Sb 0.66666666666667 0.33333333333333 0.16666666666667 121.760 > 2 15 Sb 0.16666666666667 0.83333333333333 0.16666666666667 121.760 > 2 16 Sb 0.66666666666667 0.83333333333333 0.16666666666667 121.760 > 2 17 Sb 0.16666666666667 0.33333333333333 0.50000000000000 121.760 > 2 18 Sb 0.66666666666667 0.33333333333333 0.50000000000000 121.760 > 2 19 Sb 0.16666666666667 0.83333333333333 0.50000000000000 121.760 > 2 20 Sb 0.66666666666667 0.83333333333333 0.50000000000000 121.760 > 2 21 Sb 0.16666666666667 0.33333333333333 0.83333333333333 121.760 > 2 22 Sb 0.66666666666667 0.33333333333333 0.83333333333333 121.760 > 2 23 Sb 0.16666666666667 0.83333333333333 0.83333333333333 121.760 > 2 24 Sb 0.66666666666667 0.83333333333333 0.83333333333333 121.760 > 2 25 Sb 0.33333333333333 0.16666666666667 0.16666666666667 121.760 > 3 26 Sb 0.83333333333333 0.16666666666667 0.16666666666667 121.760 > 3 27 Sb 0.33333333333333 0.66666666666667 0.16666666666667 121.760 > 3 28 Sb 0.83333333333333 0.66666666666667 0.16666666666667 121.760 > 3 29 Sb 0.33333333333333 0.16666666666667 0.50000000000000 121.760 > 3 30 Sb 0.83333333333333 0.16666666666667 0.50000000000000 121.760 > 3 31 Sb 0.33333333333333 0.66666666666667 0.50000000000000 121.760 > 3 32 Sb 0.83333333333333 0.66666666666667 0.50000000000000 121.760 > 3 33 Sb 0.33333333333333 0.16666666666667 0.83333333333333 121.760 > 3 34 Sb 0.83333333333333 0.16666666666667 0.83333333333333 121.760 > 3 35 Sb 0.33333333333333 0.66666666666667 0.83333333333333 121.760 > 3 36 Sb 0.83333333333333 0.66666666666667 0.83333333333333 121.760 > 3 *37 O 0.00000000000000 0.31470242730398 0.24117310738913 15.999 > 4 38 O 0.50000000000000 0.31470242730398 0.24117310738913 15.999 > 4 39 O 0.00000000000000 0.81470242730398 0.24117310738913 15.999 > 4 40 O 0.50000000000000 0.81470242730398 0.24117310738913 15.999 > 4 41 O 0.00000000000000 0.31470242730398 0.57450644072247 15.999 > 4 42 O 0.50000000000000 0.31470242730398 0.57450644072247 15.999 > 4 43 O 0.00000000000000 0.81470242730398 0.57450644072247 15.999 > 4 44 O 0.50000000000000 0.81470242730398 0.57450644072247 15.999 > 4 45 O 0.00000000000000 0.31470242730398 0.90783977405580 15.999 > 4 46 O 0.50000000000000 0.31470242730398 0.90783977405580 15.999 > 4 47 O 0.00000000000000 0.81470242730398 0.90783977405580 15.999 > 4 48 O 0.50000000000000 0.81470242730398 0.90783977405580 15.999 > 4 49 O 0.00000000000000 0.18529757269602 0.09216022594420 15.999 > 5 50 O 0.50000000000000 0.18529757269602 0.09216022594420 15.999 > 5 51 O 0.00000000000000 0.68529757269602 0.09216022594420 15.999 > 5 52 O 0.50000000000000 0.68529757269602 0.09216022594420 15.999 > 5 53 O 0.00000000000000 0.18529757269602 0.42549355927753 15.999 > 5 54 O 0.50000000000000 0.18529757269602 0.42549355927753 15.999 > 5 55 O 0.00000000000000 0.68529757269602 0.42549355927753 15.999 > 5 56 O 0.50000000000000 0.68529757269602 0.42549355927753 15.999 > 5 57 O 0.00000000000000 0.18529757269602 0.75882689261087 15.999 > 5 58 O 0.50000000000000 0.18529757269602 0.75882689261087 15.999 > 5 59 O 0.00000000000000 0.68529757269602 0.75882689261087 15.999 > 5 60 O 0.50000000000000 0.68529757269602 0.75882689261087 15.999 > 5 61 O 0.18529757269602 0.18529757269602 0.24117310738913 15.999 > 6 62 O 0.68529757269602 0.18529757269602 0.24117310738913 15.999 > 6 63 O 0.18529757269602 0.68529757269602 0.24117310738913 15.999 > 6 64 O 0.68529757269602 0.68529757269602 0.24117310738913 15.999 > 6 65 O 0.18529757269602 0.18529757269602 0.57450644072247 15.999 > 6 66 O 0.68529757269602 0.18529757269602 0.57450644072247 15.999 > 6 67 O 0.18529757269602 0.68529757269602 0.57450644072247 15.999 > 6 68 O 0.68529757269602 0.68529757269602 0.57450644072247 15.999 > 6 69 O 0.18529757269602 0.18529757269602 0.90783977405580 15.999 > 6 70 O 0.68529757269602 0.18529757269602 0.90783977405580 15.999 > 6 71 O 0.18529757269602 0.68529757269602 0.90783977405580 15.999 > 6 72 O 0.68529757269602 0.68529757269602 0.90783977405580 15.999 > 6 73 O 0.31470242730398 0.31470242730398 0.09216022594420 15.999 > 7 74 O 0.81470242730398 0.31470242730398 0.09216022594420 15.999 > 7 75 O 0.31470242730398 0.81470242730398 0.09216022594420 15.999 > 7 76 O 0.81470242730398 0.81470242730398 0.09216022594420 15.999 > 7 77 O 0.31470242730398 0.31470242730398 0.42549355927753 15.999 > 7 78 O 0.81470242730398 0.31470242730398 0.42549355927753 15.999 > 7 79 O 0.31470242730398 0.81470242730398 0.42549355927753 15.999 > 7 80 O 0.81470242730398 0.81470242730398 0.42549355927753 15.999 > 7 81 O 0.31470242730398 0.31470242730398 0.75882689261087 15.999 > 7 82 O 0.81470242730398 0.31470242730398 0.75882689261087 15.999 > 7 83 O 0.31470242730398 0.81470242730398 0.75882689261087 15.999 > 7 84 O 0.81470242730398 0.81470242730398 0.75882689261087 15.999 > 7 85 O 0.18529757269602 0.00000000000000 0.09216022594420 15.999 > 8 86 O 0.68529757269602 0.00000000000000 0.09216022594420 15.999 > 8 87 O 0.18529757269602 0.50000000000000 0.09216022594420 15.999 > 8 88 O 0.68529757269602 0.50000000000000 0.09216022594420 15.999 > 8 89 O 0.18529757269602 0.00000000000000 0.42549355927753 15.999 > 8 90 O 0.68529757269602 0.00000000000000 0.42549355927753 15.999 > 8 91 O 0.18529757269602 0.50000000000000 0.42549355927753 15.999 > 8 92 O 0.68529757269602 0.50000000000000 0.42549355927753 15.999 > 8 93 O 0.18529757269602 0.00000000000000 0.75882689261087 15.999 > 8 94 O 0.68529757269602 0.00000000000000 0.75882689261087 15.999 > 8 95 O 0.18529757269602 0.50000000000000 0.75882689261087 15.999 > 8 96 O 0.68529757269602 0.50000000000000 0.75882689261087 15.999 > 8 97 O 0.31470242730398 0.00000000000000 0.24117310738913 15.999 > 9 98 O 0.81470242730398 0.00000000000000 0.24117310738913 15.999 > 9 99 O 0.31470242730398 0.50000000000000 0.24117310738913 15.999 > 9 100 O 0.81470242730398 0.50000000000000 0.24117310738913 15.999 > 9 101 O 0.31470242730398 0.00000000000000 0.57450644072247 15.999 > 9 102 O 0.81470242730398 0.00000000000000 0.57450644072247 15.999 > 9 103 O 0.31470242730398 0.50000000000000 0.57450644072247 15.999 > 9 104 O 0.81470242730398 0.50000000000000 0.57450644072247 15.999 > 9 105 O 0.31470242730398 0.00000000000000 0.90783977405580 15.999 > 9 106 O 0.81470242730398 0.00000000000000 0.90783977405580 15.999 > 9 107 O 0.31470242730398 0.50000000000000 0.90783977405580 15.999 > 9 108 O 0.81470242730398 0.50000000000000 0.90783977405580 15.999 > 9 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.4274011 -0.0000000 0.0000000 0.0000000 5.4274011 0.0000000 0.0000000 0.0000000 5.5248953 -------------------------- Born effective charges -------------------------- 1 Hg 2.9139680 -0.0000000 0.0000000 0.0000000 2.9139680 0.0000000 0.0000000 0.0000000 3.3235937 2 Sb 5.0152113 -0.0000000 0.0000000 0.0000000 5.0152113 0.0000000 0.0000000 0.0000000 3.2467474 3 Sb 5.0152113 -0.0000000 0.0000000 0.0000000 5.0152113 0.0000000 0.0000000 0.0000000 3.2467474 4 O -2.3294707 -0.2980378 0.3301713 -0.2980378 -1.9853262 -0.5718735 0.3204047 -0.5549572 -1.6361814 5 O -2.3294707 -0.2980378 0.3301713 -0.2980378 -1.9853262 -0.5718735 0.3204047 -0.5549572 -1.6361814 6 O -2.3294707 0.2980378 0.3301713 0.2980378 -1.9853262 0.5718735 0.3204047 0.5549572 -1.6361814 7 O -2.3294707 0.2980378 0.3301713 0.2980378 -1.9853262 0.5718735 0.3204047 0.5549572 -1.6361814 8 O -1.8132540 0.0000000 -0.6603426 0.0000000 -2.5015429 0.0000000 -0.6408094 -0.0000000 -1.6361814 9 O -1.8132540 0.0000000 -0.6603426 0.0000000 -2.5015429 0.0000000 -0.6408094 -0.0000000 -1.6361814 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 324/324 Permutation basis: 4806/4806 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 420 Number of blocks in projector: 233 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 194 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 158 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 68 Use standard eigh solver. Tree of FC basis block matrices: - (420, 411), data: False |-- (68, 65), data: True |-- (158, 156), data: True |-- (194, 190), data: True ----- Solver_atoms: 1 -- 108 / 108 Time (Solver_compr_matrix_reshape): 0.011 Solver_block: 100 / 160 - Time: 0.312 Solver_block: 160 / 160 - Time: 0.216 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.541 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 324/324 Permutation basis: 4806/4806 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 420 Number of blocks in projector: 233 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 194 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 158 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 68 Use standard eigh solver. Tree of FC basis block matrices: - (420, 411), data: False |-- (68, 65), data: True |-- (158, 156), data: True |-- (194, 190), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 23:17:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:17:56]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-31m (162) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.314492819848446 0.000000000000000 0.000000000000000 b -2.657246409924223 4.602485790218750 0.000000000000000 c 0.000000000000000 0.000000000000000 4.902507210000000 Atomic positions (fractional): 1 Hg 0.00000000000000 0.00000000000000 0.00000000000000 200.590 2 Sb 0.33333333333333 0.66666666666667 0.50000000000000 121.760 3 Sb 0.66666666666667 0.33333333333333 0.50000000000000 121.760 4 O 0.00000000000000 0.62940485460796 0.72351932216740 15.999 5 O 0.00000000000000 0.37059514539204 0.27648067783260 15.999 6 O 0.37059514539204 0.37059514539204 0.72351932216740 15.999 7 O 0.62940485460796 0.62940485460796 0.27648067783260 15.999 8 O 0.37059514539204 0.00000000000000 0.27648067783260 15.999 9 O 0.62940485460796 0.00000000000000 0.72351932216740 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.628985639696891 0.000000000000000 0.000000000000000 b -5.314492819848446 9.204971580437499 0.000000000000000 c 0.000000000000000 0.000000000000000 14.707521629999999 Atomic positions (fractional): 1 Hg 0.00000000000000 0.00000000000000 0.00000000000000 200.590 > 1 2 Hg 0.50000000000000 0.00000000000000 0.00000000000000 200.590 > 1 3 Hg 0.00000000000000 0.50000000000000 0.00000000000000 200.590 > 1 4 Hg 0.50000000000000 0.50000000000000 0.00000000000000 200.590 > 1 5 Hg 0.00000000000000 0.00000000000000 0.33333333333333 200.590 > 1 6 Hg 0.50000000000000 0.00000000000000 0.33333333333333 200.590 > 1 7 Hg 0.00000000000000 0.50000000000000 0.33333333333333 200.590 > 1 8 Hg 0.50000000000000 0.50000000000000 0.33333333333333 200.590 > 1 9 Hg 0.00000000000000 0.00000000000000 0.66666666666667 200.590 > 1 10 Hg 0.50000000000000 0.00000000000000 0.66666666666667 200.590 > 1 11 Hg 0.00000000000000 0.50000000000000 0.66666666666667 200.590 > 1 12 Hg 0.50000000000000 0.50000000000000 0.66666666666667 200.590 > 1 13 Sb 0.16666666666667 0.33333333333333 0.16666666666667 121.760 > 13 14 Sb 0.66666666666667 0.33333333333333 0.16666666666667 121.760 > 13 15 Sb 0.16666666666667 0.83333333333333 0.16666666666667 121.760 > 13 16 Sb 0.66666666666667 0.83333333333333 0.16666666666667 121.760 > 13 17 Sb 0.16666666666667 0.33333333333333 0.50000000000000 121.760 > 13 18 Sb 0.66666666666667 0.33333333333333 0.50000000000000 121.760 > 13 19 Sb 0.16666666666667 0.83333333333333 0.50000000000000 121.760 > 13 20 Sb 0.66666666666667 0.83333333333333 0.50000000000000 121.760 > 13 21 Sb 0.16666666666667 0.33333333333333 0.83333333333333 121.760 > 13 22 Sb 0.66666666666667 0.33333333333333 0.83333333333333 121.760 > 13 23 Sb 0.16666666666667 0.83333333333333 0.83333333333333 121.760 > 13 24 Sb 0.66666666666667 0.83333333333333 0.83333333333333 121.760 > 13 25 Sb 0.33333333333333 0.16666666666667 0.16666666666667 121.760 > 25 26 Sb 0.83333333333333 0.16666666666667 0.16666666666667 121.760 > 25 27 Sb 0.33333333333333 0.66666666666667 0.16666666666667 121.760 > 25 28 Sb 0.83333333333333 0.66666666666667 0.16666666666667 121.760 > 25 29 Sb 0.33333333333333 0.16666666666667 0.50000000000000 121.760 > 25 30 Sb 0.83333333333333 0.16666666666667 0.50000000000000 121.760 > 25 31 Sb 0.33333333333333 0.66666666666667 0.50000000000000 121.760 > 25 32 Sb 0.83333333333333 0.66666666666667 0.50000000000000 121.760 > 25 33 Sb 0.33333333333333 0.16666666666667 0.83333333333333 121.760 > 25 34 Sb 0.83333333333333 0.16666666666667 0.83333333333333 121.760 > 25 35 Sb 0.33333333333333 0.66666666666667 0.83333333333333 121.760 > 25 36 Sb 0.83333333333333 0.66666666666667 0.83333333333333 121.760 > 25 37 O 0.00000000000000 0.31470242730398 0.24117310738913 15.999 > 37 38 O 0.50000000000000 0.31470242730398 0.24117310738913 15.999 > 37 39 O 0.00000000000000 0.81470242730398 0.24117310738913 15.999 > 37 40 O 0.50000000000000 0.81470242730398 0.24117310738913 15.999 > 37 41 O 0.00000000000000 0.31470242730398 0.57450644072247 15.999 > 37 42 O 0.50000000000000 0.31470242730398 0.57450644072247 15.999 > 37 43 O 0.00000000000000 0.81470242730398 0.57450644072247 15.999 > 37 44 O 0.50000000000000 0.81470242730398 0.57450644072247 15.999 > 37 45 O 0.00000000000000 0.31470242730398 0.90783977405580 15.999 > 37 46 O 0.50000000000000 0.31470242730398 0.90783977405580 15.999 > 37 47 O 0.00000000000000 0.81470242730398 0.90783977405580 15.999 > 37 48 O 0.50000000000000 0.81470242730398 0.90783977405580 15.999 > 37 49 O 0.00000000000000 0.18529757269602 0.09216022594420 15.999 > 49 50 O 0.50000000000000 0.18529757269602 0.09216022594420 15.999 > 49 51 O 0.00000000000000 0.68529757269602 0.09216022594420 15.999 > 49 52 O 0.50000000000000 0.68529757269602 0.09216022594420 15.999 > 49 53 O 0.00000000000000 0.18529757269602 0.42549355927753 15.999 > 49 54 O 0.50000000000000 0.18529757269602 0.42549355927753 15.999 > 49 55 O 0.00000000000000 0.68529757269602 0.42549355927753 15.999 > 49 56 O 0.50000000000000 0.68529757269602 0.42549355927753 15.999 > 49 57 O 0.00000000000000 0.18529757269602 0.75882689261087 15.999 > 49 58 O 0.50000000000000 0.18529757269602 0.75882689261087 15.999 > 49 59 O 0.00000000000000 0.68529757269602 0.75882689261087 15.999 > 49 60 O 0.50000000000000 0.68529757269602 0.75882689261087 15.999 > 49 61 O 0.18529757269602 0.18529757269602 0.24117310738913 15.999 > 61 62 O 0.68529757269602 0.18529757269602 0.24117310738913 15.999 > 61 63 O 0.18529757269602 0.68529757269602 0.24117310738913 15.999 > 61 64 O 0.68529757269602 0.68529757269602 0.24117310738913 15.999 > 61 65 O 0.18529757269602 0.18529757269602 0.57450644072247 15.999 > 61 66 O 0.68529757269602 0.18529757269602 0.57450644072247 15.999 > 61 67 O 0.18529757269602 0.68529757269602 0.57450644072247 15.999 > 61 68 O 0.68529757269602 0.68529757269602 0.57450644072247 15.999 > 61 69 O 0.18529757269602 0.18529757269602 0.90783977405580 15.999 > 61 70 O 0.68529757269602 0.18529757269602 0.90783977405580 15.999 > 61 71 O 0.18529757269602 0.68529757269602 0.90783977405580 15.999 > 61 72 O 0.68529757269602 0.68529757269602 0.90783977405580 15.999 > 61 73 O 0.31470242730398 0.31470242730398 0.09216022594420 15.999 > 73 74 O 0.81470242730398 0.31470242730398 0.09216022594420 15.999 > 73 75 O 0.31470242730398 0.81470242730398 0.09216022594420 15.999 > 73 76 O 0.81470242730398 0.81470242730398 0.09216022594420 15.999 > 73 77 O 0.31470242730398 0.31470242730398 0.42549355927753 15.999 > 73 78 O 0.81470242730398 0.31470242730398 0.42549355927753 15.999 > 73 79 O 0.31470242730398 0.81470242730398 0.42549355927753 15.999 > 73 80 O 0.81470242730398 0.81470242730398 0.42549355927753 15.999 > 73 81 O 0.31470242730398 0.31470242730398 0.75882689261087 15.999 > 73 82 O 0.81470242730398 0.31470242730398 0.75882689261087 15.999 > 73 83 O 0.31470242730398 0.81470242730398 0.75882689261087 15.999 > 73 84 O 0.81470242730398 0.81470242730398 0.75882689261087 15.999 > 73 85 O 0.18529757269602 0.00000000000000 0.09216022594420 15.999 > 85 86 O 0.68529757269602 0.00000000000000 0.09216022594420 15.999 > 85 87 O 0.18529757269602 0.50000000000000 0.09216022594420 15.999 > 85 88 O 0.68529757269602 0.50000000000000 0.09216022594420 15.999 > 85 89 O 0.18529757269602 0.00000000000000 0.42549355927753 15.999 > 85 90 O 0.68529757269602 0.00000000000000 0.42549355927753 15.999 > 85 91 O 0.18529757269602 0.50000000000000 0.42549355927753 15.999 > 85 92 O 0.68529757269602 0.50000000000000 0.42549355927753 15.999 > 85 93 O 0.18529757269602 0.00000000000000 0.75882689261087 15.999 > 85 94 O 0.68529757269602 0.00000000000000 0.75882689261087 15.999 > 85 95 O 0.18529757269602 0.50000000000000 0.75882689261087 15.999 > 85 96 O 0.68529757269602 0.50000000000000 0.75882689261087 15.999 > 85 97 O 0.31470242730398 0.00000000000000 0.24117310738913 15.999 > 97 98 O 0.81470242730398 0.00000000000000 0.24117310738913 15.999 > 97 99 O 0.31470242730398 0.50000000000000 0.24117310738913 15.999 > 97 100 O 0.81470242730398 0.50000000000000 0.24117310738913 15.999 > 97 101 O 0.31470242730398 0.00000000000000 0.57450644072247 15.999 > 97 102 O 0.81470242730398 0.00000000000000 0.57450644072247 15.999 > 97 103 O 0.31470242730398 0.50000000000000 0.57450644072247 15.999 > 97 104 O 0.81470242730398 0.50000000000000 0.57450644072247 15.999 > 97 105 O 0.31470242730398 0.00000000000000 0.90783977405580 15.999 > 97 106 O 0.81470242730398 0.00000000000000 0.90783977405580 15.999 > 97 107 O 0.31470242730398 0.50000000000000 0.90783977405580 15.999 > 97 108 O 0.81470242730398 0.50000000000000 0.90783977405580 15.999 > 97 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.4274011 -0.0000000 0.0000000 0.0000000 5.4274011 0.0000000 0.0000000 0.0000000 5.5248953 -------------------------- Born effective charges -------------------------- 1 Hg 2.9139680 -0.0000000 0.0000000 0.0000000 2.9139680 0.0000000 0.0000000 0.0000000 3.3235937 2 Sb 5.0152113 -0.0000000 0.0000000 0.0000000 5.0152113 0.0000000 0.0000000 0.0000000 3.2467474 3 Sb 5.0152113 -0.0000000 0.0000000 0.0000000 5.0152113 0.0000000 0.0000000 0.0000000 3.2467474 4 O -2.3294707 -0.2980378 0.3301713 -0.2980378 -1.9853262 -0.5718735 0.3204047 -0.5549572 -1.6361814 5 O -2.3294707 -0.2980378 0.3301713 -0.2980378 -1.9853262 -0.5718735 0.3204047 -0.5549572 -1.6361814 6 O -2.3294707 0.2980378 0.3301713 0.2980378 -1.9853262 0.5718735 0.3204047 0.5549572 -1.6361814 7 O -2.3294707 0.2980378 0.3301713 0.2980378 -1.9853262 0.5718735 0.3204047 0.5549572 -1.6361814 8 O -1.8132540 0.0000000 -0.6603426 0.0000000 -2.5015429 0.0000000 -0.6408094 -0.0000000 -1.6361814 9 O -1.8132540 0.0000000 -0.6603426 0.0000000 -2.5015429 0.0000000 -0.6408094 -0.0000000 -1.6361814 ---------------------------------------------------------------------------- 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[ 13, 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[ 37, 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: 0.00000005 (xyz) 0.00000005 (xyz) 0.00000005 (xzy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000004 (xz) -0.00000004 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency 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 23:18:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:18:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-31m (162) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.314492819848446 0.000000000000000 0.000000000000000 b -2.657246409924223 4.602485790218750 0.000000000000000 c 0.000000000000000 0.000000000000000 4.902507210000000 Atomic positions (fractional): 1 Hg 0.00000000000000 0.00000000000000 0.00000000000000 200.590 2 Sb 0.33333333333333 0.66666666666667 0.50000000000000 121.760 3 Sb 0.66666666666667 0.33333333333333 0.50000000000000 121.760 4 O 0.00000000000000 0.62940485460796 0.72351932216740 15.999 5 O 0.00000000000000 0.37059514539204 0.27648067783260 15.999 6 O 0.37059514539204 0.37059514539204 0.72351932216740 15.999 7 O 0.62940485460796 0.62940485460796 0.27648067783260 15.999 8 O 0.37059514539204 0.00000000000000 0.27648067783260 15.999 9 O 0.62940485460796 0.00000000000000 0.72351932216740 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.628985639696891 0.000000000000000 0.000000000000000 b -5.314492819848446 9.204971580437499 0.000000000000000 c 0.000000000000000 0.000000000000000 14.707521629999999 Atomic positions (fractional): 1 Hg 0.00000000000000 0.00000000000000 0.00000000000000 200.590 > 1 2 Hg 0.50000000000000 0.00000000000000 0.00000000000000 200.590 > 1 3 Hg 0.00000000000000 0.50000000000000 0.00000000000000 200.590 > 1 4 Hg 0.50000000000000 0.50000000000000 0.00000000000000 200.590 > 1 5 Hg 0.00000000000000 0.00000000000000 0.33333333333333 200.590 > 1 6 Hg 0.50000000000000 0.00000000000000 0.33333333333333 200.590 > 1 7 Hg 0.00000000000000 0.50000000000000 0.33333333333333 200.590 > 1 8 Hg 0.50000000000000 0.50000000000000 0.33333333333333 200.590 > 1 9 Hg 0.00000000000000 0.00000000000000 0.66666666666667 200.590 > 1 10 Hg 0.50000000000000 0.00000000000000 0.66666666666667 200.590 > 1 11 Hg 0.00000000000000 0.50000000000000 0.66666666666667 200.590 > 1 12 Hg 0.50000000000000 0.50000000000000 0.66666666666667 200.590 > 1 13 Sb 0.16666666666667 0.33333333333333 0.16666666666667 121.760 > 13 14 Sb 0.66666666666667 0.33333333333333 0.16666666666667 121.760 > 13 15 Sb 0.16666666666667 0.83333333333333 0.16666666666667 121.760 > 13 16 Sb 0.66666666666667 0.83333333333333 0.16666666666667 121.760 > 13 17 Sb 0.16666666666667 0.33333333333333 0.50000000000000 121.760 > 13 18 Sb 0.66666666666667 0.33333333333333 0.50000000000000 121.760 > 13 19 Sb 0.16666666666667 0.83333333333333 0.50000000000000 121.760 > 13 20 Sb 0.66666666666667 0.83333333333333 0.50000000000000 121.760 > 13 21 Sb 0.16666666666667 0.33333333333333 0.83333333333333 121.760 > 13 22 Sb 0.66666666666667 0.33333333333333 0.83333333333333 121.760 > 13 23 Sb 0.16666666666667 0.83333333333333 0.83333333333333 121.760 > 13 24 Sb 0.66666666666667 0.83333333333333 0.83333333333333 121.760 > 13 25 Sb 0.33333333333333 0.16666666666667 0.16666666666667 121.760 > 25 26 Sb 0.83333333333333 0.16666666666667 0.16666666666667 121.760 > 25 27 Sb 0.33333333333333 0.66666666666667 0.16666666666667 121.760 > 25 28 Sb 0.83333333333333 0.66666666666667 0.16666666666667 121.760 > 25 29 Sb 0.33333333333333 0.16666666666667 0.50000000000000 121.760 > 25 30 Sb 0.83333333333333 0.16666666666667 0.50000000000000 121.760 > 25 31 Sb 0.33333333333333 0.66666666666667 0.50000000000000 121.760 > 25 32 Sb 0.83333333333333 0.66666666666667 0.50000000000000 121.760 > 25 33 Sb 0.33333333333333 0.16666666666667 0.83333333333333 121.760 > 25 34 Sb 0.83333333333333 0.16666666666667 0.83333333333333 121.760 > 25 35 Sb 0.33333333333333 0.66666666666667 0.83333333333333 121.760 > 25 36 Sb 0.83333333333333 0.66666666666667 0.83333333333333 121.760 > 25 37 O 0.00000000000000 0.31470242730398 0.24117310738913 15.999 > 37 38 O 0.50000000000000 0.31470242730398 0.24117310738913 15.999 > 37 39 O 0.00000000000000 0.81470242730398 0.24117310738913 15.999 > 37 40 O 0.50000000000000 0.81470242730398 0.24117310738913 15.999 > 37 41 O 0.00000000000000 0.31470242730398 0.57450644072247 15.999 > 37 42 O 0.50000000000000 0.31470242730398 0.57450644072247 15.999 > 37 43 O 0.00000000000000 0.81470242730398 0.57450644072247 15.999 > 37 44 O 0.50000000000000 0.81470242730398 0.57450644072247 15.999 > 37 45 O 0.00000000000000 0.31470242730398 0.90783977405580 15.999 > 37 46 O 0.50000000000000 0.31470242730398 0.90783977405580 15.999 > 37 47 O 0.00000000000000 0.81470242730398 0.90783977405580 15.999 > 37 48 O 0.50000000000000 0.81470242730398 0.90783977405580 15.999 > 37 49 O 0.00000000000000 0.18529757269602 0.09216022594420 15.999 > 49 50 O 0.50000000000000 0.18529757269602 0.09216022594420 15.999 > 49 51 O 0.00000000000000 0.68529757269602 0.09216022594420 15.999 > 49 52 O 0.50000000000000 0.68529757269602 0.09216022594420 15.999 > 49 53 O 0.00000000000000 0.18529757269602 0.42549355927753 15.999 > 49 54 O 0.50000000000000 0.18529757269602 0.42549355927753 15.999 > 49 55 O 0.00000000000000 0.68529757269602 0.42549355927753 15.999 > 49 56 O 0.50000000000000 0.68529757269602 0.42549355927753 15.999 > 49 57 O 0.00000000000000 0.18529757269602 0.75882689261087 15.999 > 49 58 O 0.50000000000000 0.18529757269602 0.75882689261087 15.999 > 49 59 O 0.00000000000000 0.68529757269602 0.75882689261087 15.999 > 49 60 O 0.50000000000000 0.68529757269602 0.75882689261087 15.999 > 49 61 O 0.18529757269602 0.18529757269602 0.24117310738913 15.999 > 61 62 O 0.68529757269602 0.18529757269602 0.24117310738913 15.999 > 61 63 O 0.18529757269602 0.68529757269602 0.24117310738913 15.999 > 61 64 O 0.68529757269602 0.68529757269602 0.24117310738913 15.999 > 61 65 O 0.18529757269602 0.18529757269602 0.57450644072247 15.999 > 61 66 O 0.68529757269602 0.18529757269602 0.57450644072247 15.999 > 61 67 O 0.18529757269602 0.68529757269602 0.57450644072247 15.999 > 61 68 O 0.68529757269602 0.68529757269602 0.57450644072247 15.999 > 61 69 O 0.18529757269602 0.18529757269602 0.90783977405580 15.999 > 61 70 O 0.68529757269602 0.18529757269602 0.90783977405580 15.999 > 61 71 O 0.18529757269602 0.68529757269602 0.90783977405580 15.999 > 61 72 O 0.68529757269602 0.68529757269602 0.90783977405580 15.999 > 61 73 O 0.31470242730398 0.31470242730398 0.09216022594420 15.999 > 73 74 O 0.81470242730398 0.31470242730398 0.09216022594420 15.999 > 73 75 O 0.31470242730398 0.81470242730398 0.09216022594420 15.999 > 73 76 O 0.81470242730398 0.81470242730398 0.09216022594420 15.999 > 73 77 O 0.31470242730398 0.31470242730398 0.42549355927753 15.999 > 73 78 O 0.81470242730398 0.31470242730398 0.42549355927753 15.999 > 73 79 O 0.31470242730398 0.81470242730398 0.42549355927753 15.999 > 73 80 O 0.81470242730398 0.81470242730398 0.42549355927753 15.999 > 73 81 O 0.31470242730398 0.31470242730398 0.75882689261087 15.999 > 73 82 O 0.81470242730398 0.31470242730398 0.75882689261087 15.999 > 73 83 O 0.31470242730398 0.81470242730398 0.75882689261087 15.999 > 73 84 O 0.81470242730398 0.81470242730398 0.75882689261087 15.999 > 73 85 O 0.18529757269602 0.00000000000000 0.09216022594420 15.999 > 85 86 O 0.68529757269602 0.00000000000000 0.09216022594420 15.999 > 85 87 O 0.18529757269602 0.50000000000000 0.09216022594420 15.999 > 85 88 O 0.68529757269602 0.50000000000000 0.09216022594420 15.999 > 85 89 O 0.18529757269602 0.00000000000000 0.42549355927753 15.999 > 85 90 O 0.68529757269602 0.00000000000000 0.42549355927753 15.999 > 85 91 O 0.18529757269602 0.50000000000000 0.42549355927753 15.999 > 85 92 O 0.68529757269602 0.50000000000000 0.42549355927753 15.999 > 85 93 O 0.18529757269602 0.00000000000000 0.75882689261087 15.999 > 85 94 O 0.68529757269602 0.00000000000000 0.75882689261087 15.999 > 85 95 O 0.18529757269602 0.50000000000000 0.75882689261087 15.999 > 85 96 O 0.68529757269602 0.50000000000000 0.75882689261087 15.999 > 85 97 O 0.31470242730398 0.00000000000000 0.24117310738913 15.999 > 97 98 O 0.81470242730398 0.00000000000000 0.24117310738913 15.999 > 97 99 O 0.31470242730398 0.50000000000000 0.24117310738913 15.999 > 97 100 O 0.81470242730398 0.50000000000000 0.24117310738913 15.999 > 97 101 O 0.31470242730398 0.00000000000000 0.57450644072247 15.999 > 97 102 O 0.81470242730398 0.00000000000000 0.57450644072247 15.999 > 97 103 O 0.31470242730398 0.50000000000000 0.57450644072247 15.999 > 97 104 O 0.81470242730398 0.50000000000000 0.57450644072247 15.999 > 97 105 O 0.31470242730398 0.00000000000000 0.90783977405580 15.999 > 97 106 O 0.81470242730398 0.00000000000000 0.90783977405580 15.999 > 97 107 O 0.31470242730398 0.50000000000000 0.90783977405580 15.999 > 97 108 O 0.81470242730398 0.50000000000000 0.90783977405580 15.999 > 97 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.4274011 -0.0000000 0.0000000 0.0000000 5.4274011 0.0000000 0.0000000 0.0000000 5.5248953 -------------------------- Born effective charges -------------------------- 1 Hg 2.9139680 -0.0000000 0.0000000 0.0000000 2.9139680 0.0000000 0.0000000 0.0000000 3.3235937 2 Sb 5.0152113 -0.0000000 0.0000000 0.0000000 5.0152113 0.0000000 0.0000000 0.0000000 3.2467474 3 Sb 5.0152113 -0.0000000 0.0000000 0.0000000 5.0152113 0.0000000 0.0000000 0.0000000 3.2467474 4 O -2.3294707 -0.2980378 0.3301713 -0.2980378 -1.9853262 -0.5718735 0.3204047 -0.5549572 -1.6361814 5 O -2.3294707 -0.2980378 0.3301713 -0.2980378 -1.9853262 -0.5718735 0.3204047 -0.5549572 -1.6361814 6 O -2.3294707 0.2980378 0.3301713 0.2980378 -1.9853262 0.5718735 0.3204047 0.5549572 -1.6361814 7 O -2.3294707 0.2980378 0.3301713 0.2980378 -1.9853262 0.5718735 0.3204047 0.5549572 -1.6361814 8 O -1.8132540 0.0000000 -0.6603426 0.0000000 -2.5015429 0.0000000 -0.6408094 -0.0000000 -1.6361814 9 O -1.8132540 0.0000000 -0.6603426 0.0000000 -2.5015429 0.0000000 -0.6408094 -0.0000000 -1.6361814 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000005 (xyz) 0.00000005 (xyz) 0.00000005 (xzy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 11 11 10 ] 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: 0.84, Number of G-points: 303, Lambda: 0.21 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/136) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency 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 2.412 ( 0.000 0.000 0.000) 0.000 2.892 ( 0.000 0.000 0.000) 0.000 2.892 ( 0.000 0.000 0.000) 0.000 3.795 ( 0.000 0.000 0.000) 0.000 6.241 ( 0.000 0.000 0.000) 0.000 6.241 ( 0.000 0.000 0.000) 0.000 7.672 ( 0.000 0.000 0.000) 0.000 8.417 ( 0.000 0.000 0.000) 0.000 8.417 ( 0.000 0.000 0.000) 0.000 9.130 ( 0.000 0.000 0.000) 0.000 9.130 ( 0.000 0.000 0.000) 0.000 9.219 ( 0.000 0.000 0.000) 0.000 15.221 ( 0.000 0.000 0.000) 0.000 15.221 ( 0.000 0.000 0.000) 0.000 15.271 ( 0.000 0.000 0.000) 0.000 15.271 ( 0.000 0.000 0.000) 0.000 16.270 ( 0.000 0.000 0.000) 0.000 16.532 ( 0.000 0.000 0.000) 0.000 16.532 ( 0.000 0.000 0.000) 0.000 17.400 ( 0.000 0.000 0.000) 0.000 18.647 ( 0.000 0.000 0.000) 0.000 18.647 ( 0.000 0.000 0.000) 0.000 18.895 ( 0.000 0.000 0.000) 0.000 19.282 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/136) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.299 ( 14.141 8.164 0.000) 16.329 0.570 ( 24.178 13.959 0.000) 27.918 1.114 ( 47.066 27.173 0.000) 54.347 2.378 ( -2.763 -1.595 0.000) 3.191 2.808 ( -6.688 -3.861 0.000) 7.722 3.193 ( -0.686 -0.396 0.000) 0.792 3.833 ( 2.716 1.568 0.000) 3.136 6.250 ( 0.623 0.360 0.000) 0.719 6.258 ( 1.510 0.872 0.000) 1.743 7.602 ( -5.915 -3.415 0.000) 6.830 8.402 ( -1.280 -0.739 0.000) 1.478 9.014 ( -9.249 -5.340 0.000) 10.680 9.116 ( -6.490 -3.747 0.000) 7.494 9.151 ( 1.748 1.009 0.000) 2.019 9.428 ( 6.365 3.675 0.000) 7.350 15.116 ( -4.791 -2.766 0.000) 5.532 15.283 ( 1.076 0.621 0.000) 1.242 15.434 ( 9.602 5.543 0.000) 11.087 16.151 ( -10.351 -5.976 0.000) 11.953 16.248 ( 3.026 1.747 0.000) 3.494 16.440 ( -6.610 -3.816 0.000) 7.633 17.432 ( 2.217 1.280 0.000) 2.560 18.631 ( -1.377 -0.795 0.000) 1.590 18.710 ( 5.032 2.905 0.000) 5.810 18.886 ( -0.728 -0.421 0.000) 0.841 19.300 ( 1.474 0.851 0.000) 1.702 19.564 ( 0.779 0.449 0.000) 0.899 ======================= Grid point 2 (3/136) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.662 ( 17.877 10.321 0.000) 20.643 1.085 ( 20.592 11.889 0.000) 23.778 2.054 ( 31.294 18.067 0.000) 36.135 2.305 ( -3.129 -1.807 0.000) 3.613 2.623 ( -8.811 -5.087 0.000) 10.174 3.261 ( 10.715 6.186 0.000) 12.372 3.879 ( 0.430 0.248 0.000) 0.496 6.257 ( -0.261 -0.151 0.000) 0.301 6.310 ( 2.980 1.720 0.000) 3.441 7.422 ( -9.278 -5.356 0.000) 10.713 8.364 ( -1.951 -1.126 0.000) 2.253 8.743 ( -14.363 -8.292 0.000) 16.585 8.923 ( -10.312 -5.954 0.000) 11.907 9.203 ( 2.677 1.546 0.000) 3.091 9.577 ( 6.590 3.805 0.000) 7.610 15.000 ( -6.031 -3.482 0.000) 6.964 15.318 ( 1.986 1.147 0.000) 2.293 15.646 ( 4.022 2.322 0.000) 4.644 15.874 ( -7.778 -4.491 0.000) 8.981 16.286 ( -6.140 -3.545 0.000) 7.090 16.340 ( 4.672 2.697 0.000) 5.395 17.474 ( 1.092 0.631 0.000) 1.261 18.591 ( -1.947 -1.124 0.000) 2.248 18.847 ( 6.363 3.674 0.000) 7.347 18.868 ( -0.696 -0.402 0.000) 0.803 19.337 ( 1.406 0.812 0.000) 1.623 19.591 ( 1.590 0.918 0.000) 1.836 ======================= Grid point 3 (4/136) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( 21.303 12.300 0.000) 24.599 1.493 ( 14.929 8.619 0.000) 17.239 2.256 ( -0.839 -0.485 0.000) 0.969 2.394 ( 1.528 0.882 0.000) 1.764 2.427 ( -8.196 -4.732 0.000) 9.464 3.822 ( -5.876 -3.392 0.000) 6.785 3.832 ( 36.428 21.032 0.000) 42.063 6.237 ( -1.314 -0.759 0.000) 1.517 6.385 ( 3.188 1.841 0.000) 3.682 7.206 ( -9.112 -5.261 0.000) 10.521 8.314 ( -2.372 -1.370 0.000) 2.739 8.369 ( -17.934 -10.354 0.000) 20.708 8.658 ( -12.545 -7.243 0.000) 14.485 9.269 ( 3.020 1.744 0.000) 3.487 9.722 ( 5.967 3.445 0.000) 6.890 14.807 ( -11.359 -6.558 0.000) 13.117 15.369 ( 2.374 1.371 0.000) 2.741 15.463 ( -9.740 -5.624 0.000) 11.247 15.951 ( 1.735 1.002 0.000) 2.003 16.248 ( 6.679 3.856 0.000) 7.713 16.447 ( 4.481 2.587 0.000) 5.174 17.467 ( -1.949 -1.125 0.000) 2.250 18.549 ( -1.590 -0.918 0.000) 1.836 18.861 ( 0.120 0.069 0.000) 0.138 18.980 ( 5.088 2.937 0.000) 5.875 19.350 ( -0.405 -0.234 0.000) 0.468 19.638 ( 2.473 1.428 0.000) 2.855 ======================= Grid point 4 (5/136) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( 20.679 11.939 0.000) 23.878 1.766 ( 9.481 5.474 0.000) 10.947 2.250 ( -5.908 -3.411 0.000) 6.822 2.275 ( 1.077 0.622 0.000) 1.243 2.330 ( -4.602 -2.657 0.000) 5.314 3.608 ( -12.336 -7.122 0.000) 14.245 4.722 ( 39.057 22.549 0.000) 45.099 6.208 ( -1.032 -0.596 0.000) 1.191 6.415 ( -2.069 -1.195 0.000) 2.390 7.028 ( -6.153 -3.553 0.000) 7.105 7.963 ( -16.350 -9.440 0.000) 18.880 8.258 ( -2.382 -1.375 0.000) 2.750 8.374 ( -11.736 -6.776 0.000) 13.552 9.335 ( 2.642 1.525 0.000) 3.050 9.840 ( 4.203 2.427 0.000) 4.853 14.519 ( -12.247 -7.071 0.000) 14.141 15.320 ( -3.316 -1.915 0.000) 3.829 15.420 ( 1.948 1.125 0.000) 2.249 15.891 ( -4.015 -2.318 0.000) 4.636 16.533 ( 14.732 8.505 0.000) 17.011 16.534 ( 2.969 1.714 0.000) 3.428 17.380 ( -5.714 -3.299 0.000) 6.598 18.521 ( -0.868 -0.501 0.000) 1.003 18.875 ( 1.098 0.634 0.000) 1.268 19.073 ( 3.017 1.742 0.000) 3.484 19.322 ( -1.869 -1.079 0.000) 2.158 19.695 ( 2.300 1.328 0.000) 2.656 ======================= Grid point 5 (6/136) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( 5.443 3.143 0.000) 6.285 2.011 ( 9.146 5.281 0.000) 10.561 2.116 ( -4.309 -2.488 0.000) 4.975 2.244 ( -2.199 -1.269 0.000) 2.539 2.341 ( 3.328 1.922 0.000) 3.843 3.327 ( -9.475 -5.470 0.000) 10.941 5.536 ( 29.992 17.316 0.000) 34.631 6.193 ( -0.283 -0.163 0.000) 0.327 6.215 ( -15.591 -9.001 0.000) 18.003 6.934 ( -2.084 -1.203 0.000) 2.407 7.699 ( -5.699 -3.290 0.000) 6.580 8.164 ( -5.506 -3.179 0.000) 6.358 8.216 ( -1.077 -0.622 0.000) 1.244 9.380 ( 1.092 0.630 0.000) 1.261 9.907 ( 1.516 0.875 0.000) 1.751 14.312 ( -4.978 -2.874 0.000) 5.748 15.280 ( -0.663 -0.383 0.000) 0.766 15.452 ( 0.755 0.436 0.000) 0.872 15.821 ( -1.698 -0.981 0.000) 1.961 16.579 ( 0.999 0.577 0.000) 1.154 16.843 ( 10.872 6.277 0.000) 12.554 17.218 ( -7.382 -4.262 0.000) 8.524 18.508 ( -0.258 -0.149 0.000) 0.298 18.901 ( 0.828 0.478 0.000) 0.956 19.118 ( 0.973 0.562 0.000) 1.123 19.282 ( -1.181 -0.682 0.000) 1.364 19.734 ( 0.913 0.527 0.000) 1.054 ======================= Grid point 12 (7/136) ======================= q-point: ( 0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.593 ( 9.862 17.082 -5.786) 20.556 0.957 ( 13.591 23.540 3.412) 27.395 1.834 ( 21.879 37.896 -0.709) 43.764 2.326 ( -1.818 -3.149 -0.897) 3.745 2.685 ( -4.479 -7.758 -4.701) 10.117 3.201 ( 2.002 3.468 3.400) 5.253 3.875 ( 1.063 1.841 -1.236) 2.459 6.265 ( 0.661 1.144 6.094) 6.236 6.282 ( 0.661 1.144 -4.236) 4.437 7.484 ( -4.658 -8.067 -0.168) 9.317 8.354 ( -2.290 -3.966 -5.637) 7.263 8.930 ( -5.439 -9.421 1.750) 11.018 8.947 ( -4.678 -8.102 3.822) 10.106 9.119 ( -1.006 -1.743 0.467) 2.066 9.557 ( 4.535 7.855 -0.597) 9.090 15.003 ( -3.249 -5.627 -2.836) 7.089 15.469 ( 4.979 8.624 -0.332) 9.964 15.480 ( 2.407 4.170 -6.355) 7.973 15.875 ( -9.391 -16.265 -5.383) 19.538 16.272 ( -5.813 -10.068 -4.816) 12.584 16.425 ( 5.739 9.940 19.117) 22.298 17.464 ( 0.800 1.386 -0.834) 1.804 18.621 ( -0.717 -1.243 7.847) 7.977 18.778 ( 2.152 3.728 2.439) 4.947 18.881 ( 0.434 0.751 -1.752) 1.955 19.335 ( 1.345 2.330 0.150) 2.694 19.578 ( 0.503 0.872 -7.805) 7.870 ======================= Grid point 13 (8/136) ======================= q-point: ( 0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( 13.898 18.734 -5.434) 23.951 1.407 ( 12.498 19.363 2.526) 23.184 2.258 ( -0.512 -1.628 -3.071) 3.514 2.367 ( 6.348 8.903 2.293) 11.172 2.530 ( -6.677 -3.355 -3.704) 8.340 3.499 ( 23.122 19.590 2.039) 30.373 3.874 ( -2.310 -1.183 -2.478) 3.588 6.263 ( -2.082 0.542 0.292) 2.171 6.321 ( 3.697 -0.943 1.119) 3.976 7.308 ( -7.235 -5.382 -0.284) 9.022 8.246 ( -2.700 -10.090 -6.479) 12.292 8.660 ( -15.470 -2.593 3.670) 16.110 8.763 ( -8.865 -8.757 1.412) 12.540 9.131 ( 6.584 -6.866 1.974) 9.716 9.714 ( 3.986 8.665 0.241) 9.541 14.892 ( -4.606 -5.408 -3.577) 7.953 15.355 ( -11.741 -5.659 -7.687) 15.132 15.619 ( 2.680 -12.970 -5.728) 14.430 15.730 ( 4.509 6.535 -0.822) 7.982 16.136 ( 2.999 -5.398 -2.280) 6.583 16.617 ( 0.451 17.656 18.246) 25.394 17.470 ( -0.349 -1.321 -1.152) 1.787 18.580 ( -2.499 -0.566 7.612) 8.031 18.811 ( 1.868 -3.220 4.504) 5.843 18.953 ( 3.469 5.195 -2.078) 6.583 19.375 ( -0.102 2.800 -0.336) 2.822 19.601 ( 1.892 0.000 -7.941) 8.164 ======================= Grid point 14 (9/136) ======================= q-point: ( 0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( 17.166 18.148 -3.994) 25.298 1.733 ( 6.455 13.257 1.406) 14.812 2.238 ( 0.443 -1.674 0.307) 1.759 2.375 ( -6.328 -1.615 1.190) 6.638 2.422 ( -5.070 5.867 -4.114) 8.778 3.735 ( -9.272 -5.076 -2.466) 10.855 4.272 ( 36.703 21.955 -0.020) 42.768 6.219 ( -1.973 -1.438 -2.398) 3.422 6.361 ( 2.877 -4.626 2.210) 5.879 7.156 ( -7.466 0.977 0.078) 7.531 8.036 ( -7.438 -14.822 -3.742) 17.000 8.406 ( -11.996 0.844 2.706) 12.327 8.500 ( -11.948 -6.939 0.001) 13.817 9.186 ( 8.445 -8.587 2.258) 12.254 9.855 ( 2.308 8.688 0.894) 9.033 14.683 ( -13.547 -5.399 -3.922) 15.101 15.135 ( 1.023 -14.424 -4.718) 15.210 15.573 ( 5.386 -13.902 -10.613) 18.300 15.748 ( -6.755 6.926 -3.429) 10.264 16.329 ( 16.204 4.051 0.983) 16.732 16.779 ( -5.239 22.809 18.622) 29.908 17.417 ( -2.942 -3.979 -0.599) 4.984 18.536 ( -1.734 -0.741 4.662) 5.029 18.809 ( 2.759 -4.560 6.162) 8.147 19.061 ( 2.988 4.726 -1.786) 5.869 19.374 ( -3.030 2.329 -2.172) 4.395 19.644 ( 3.470 -0.949 -5.037) 6.190 ======================= Grid point 15 (10/136) ======================= q-point: ( 0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( 10.440 11.413 -0.981) 15.499 1.910 ( 6.684 6.954 0.240) 9.648 2.202 ( -1.173 -5.473 6.300) 8.427 2.252 ( -7.776 3.753 -2.094) 8.884 2.474 ( -2.362 17.278 -7.539) 18.999 3.461 ( -13.632 -7.710 -2.811) 15.912 5.096 ( 36.593 14.058 -0.392) 39.202 6.178 ( -0.442 -3.043 -1.895) 3.612 6.274 ( -4.721 -11.927 -1.460) 12.910 7.080 ( -7.230 8.561 2.005) 11.383 7.766 ( -7.836 -8.371 0.859) 11.499 8.232 ( -7.508 -6.496 -1.239) 10.005 8.282 ( -7.166 1.464 0.267) 7.319 9.239 ( 8.089 -9.764 2.200) 12.869 9.955 ( -0.361 7.807 1.224) 7.911 14.410 ( -10.503 -3.904 -3.952) 11.882 15.079 ( 6.294 -12.444 -2.379) 14.147 15.511 ( 10.424 -24.553 -17.666) 31.994 15.721 ( -9.785 16.286 0.188) 19.000 16.660 ( 15.317 5.368 0.780) 16.249 16.881 ( -9.755 23.609 18.370) 31.464 17.291 ( -6.217 -5.288 1.113) 8.237 18.510 ( -0.493 -0.729 1.625) 1.848 18.817 ( 3.989 -5.822 8.884) 11.346 19.144 ( 1.119 4.936 -3.998) 6.450 19.328 ( -3.996 1.270 -2.372) 4.817 19.690 ( 3.213 -1.899 -2.806) 4.669 ======================= Grid point 16 (11/136) ======================= q-point: ( 0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.940 ( -0.094 0.163 0.592) 0.621 2.107 ( -0.671 1.162 -2.599) 2.925 2.144 ( 2.636 -4.566 9.958) 11.268 2.178 ( -6.056 10.490 -1.663) 12.226 2.590 ( -10.859 18.808 -10.729) 24.223 3.252 ( 1.036 -1.794 -2.116) 2.962 5.634 ( 6.316 -10.940 -0.194) 12.633 6.012 ( 3.492 -6.048 1.887) 7.235 6.176 ( 0.912 -1.579 -7.845) 8.054 7.062 ( -7.201 12.473 4.033) 14.957 7.658 ( 0.440 -0.762 2.512) 2.662 8.119 ( 0.687 -1.190 -2.198) 2.593 8.233 ( -1.224 2.120 -0.272) 2.463 9.262 ( 6.375 -11.043 2.160) 12.933 9.992 ( -3.576 6.193 1.314) 7.271 14.295 ( -0.739 1.279 -3.901) 4.171 15.075 ( 6.658 -11.532 -1.208) 13.371 15.475 ( 14.524 -25.157 -19.716) 35.108 15.720 ( -10.156 17.592 0.664) 20.324 16.888 ( -11.674 20.221 15.475) 28.011 16.892 ( 1.400 -2.424 0.471) 2.838 17.166 ( -0.987 1.709 4.845) 5.231 18.502 ( 0.261 -0.451 0.351) 0.629 18.824 ( 3.976 -6.886 10.380) 13.076 19.185 ( -2.764 4.787 -7.457) 9.282 19.289 ( -0.823 1.426 -0.112) 1.650 19.709 ( 1.709 -2.961 -2.121) 4.024 ======================= Grid point 25 (12/136) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( 12.434 21.537 -6.072) 25.599 1.752 ( 7.606 13.174 1.917) 15.333 2.226 ( -0.831 -1.440 -0.808) 1.848 2.412 ( -1.309 -2.266 -0.148) 2.621 2.533 ( 2.531 4.384 -2.539) 5.663 3.808 ( -3.388 -5.868 -4.393) 8.075 4.022 ( 17.981 31.143 0.871) 35.972 6.248 ( -1.808 -3.131 -8.289) 9.043 6.287 ( -0.985 -1.705 8.132) 8.367 7.234 ( -1.008 -1.745 0.493) 2.075 8.015 ( -7.155 -12.393 -5.114) 15.197 8.501 ( -6.593 -11.420 0.053) 13.187 8.650 ( -3.438 -5.955 2.846) 7.442 9.007 ( -2.319 -4.017 3.487) 5.803 9.884 ( 4.705 8.150 1.301) 9.500 14.803 ( -2.562 -4.438 -5.568) 7.567 15.063 ( -10.920 -18.915 -6.863) 22.894 15.357 ( -6.529 -11.308 -15.106) 19.967 16.006 ( 8.107 14.041 3.925) 16.682 16.095 ( 1.901 3.293 -0.288) 3.813 16.959 ( 9.312 16.129 19.887) 27.246 17.416 ( -2.433 -4.214 -1.593) 5.120 18.555 ( -1.145 -1.983 10.424) 10.672 18.749 ( -1.637 -2.835 3.947) 5.128 19.058 ( 3.078 5.332 -1.251) 6.282 19.428 ( 1.100 1.905 0.447) 2.245 19.594 ( -0.249 -0.431 -10.546) 10.557 ======================= Grid point 26 (13/136) ======================= q-point: ( 0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( 12.360 17.800 -3.245) 21.912 1.904 ( 1.936 3.777 0.597) 4.287 2.181 ( -1.811 -4.174 3.390) 5.675 2.370 ( -1.790 2.636 -6.652) 7.375 2.693 ( 1.445 18.882 -0.121) 18.938 3.619 ( -11.401 -6.774 -5.436) 14.332 4.668 ( 27.605 18.078 -0.687) 33.005 6.169 ( -3.115 -4.216 -4.196) 6.714 6.211 ( -1.943 -9.866 -0.499) 10.068 7.247 ( -1.116 7.954 3.104) 8.611 7.788 ( -5.617 -9.623 -0.428) 11.150 8.281 ( -6.712 -8.868 -1.685) 11.248 8.475 ( -11.823 -0.388 0.669) 11.848 8.984 ( 6.983 -10.699 4.206) 13.451 10.023 ( 2.145 7.743 2.025) 8.286 14.598 ( -15.701 -3.361 -7.589) 17.759 14.854 ( 6.225 -13.953 -6.297) 16.526 15.159 ( 0.930 -19.210 -15.359) 24.613 16.067 ( -9.563 17.564 0.919) 20.020 16.404 ( 19.118 3.945 1.540) 19.581 17.215 ( -2.893 17.314 16.589) 24.152 17.317 ( -1.284 -3.316 3.827) 5.224 18.514 ( -1.218 -1.416 7.459) 7.689 18.701 ( 1.198 -6.018 6.294) 8.790 19.160 ( 2.697 5.221 -1.915) 6.181 19.426 ( -4.082 2.533 -1.657) 5.082 19.601 ( 3.243 -3.344 -7.417) 8.758 ======================= Grid point 27 (14/136) ======================= q-point: ( 0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( 0.620 0.965 1.221) 1.675 2.057 ( 3.556 0.700 7.168) 8.032 2.123 ( 0.492 0.916 -3.288) 3.448 2.409 ( -4.234 12.894 -7.645) 15.577 2.934 ( 1.625 24.504 -2.994) 24.739 3.307 ( -15.214 -7.140 -5.232) 17.601 5.263 ( 25.882 3.818 -1.125) 26.187 5.943 ( -7.215 -17.913 1.666) 19.383 6.141 ( 0.339 -2.901 -11.862) 12.216 7.324 ( -4.696 14.684 7.404) 17.103 7.661 ( -2.115 -2.385 4.587) 5.586 8.119 ( -3.548 -4.100 -4.545) 7.075 8.305 ( -6.120 0.148 -0.947) 6.194 9.002 ( 8.391 -13.152 4.132) 16.139 10.102 ( -1.283 6.372 2.333) 6.906 14.369 ( -7.355 -0.056 -8.129) 10.962 14.871 ( 7.382 -8.645 -3.687) 11.951 15.017 ( 7.171 -22.529 -18.093) 29.772 16.075 ( -10.019 17.884 0.462) 20.504 16.740 ( 14.630 2.821 0.812) 14.921 17.093 ( -7.323 -7.091 -0.084) 10.194 17.406 ( -7.440 20.530 23.070) 31.765 18.493 ( 0.015 -0.909 2.307) 2.480 18.672 ( 3.837 -8.353 10.225) 13.749 19.253 ( 1.614 5.986 -4.318) 7.555 19.357 ( -5.503 1.441 -2.335) 6.149 19.623 ( 3.592 -4.739 -4.342) 7.363 ======================= Grid point 37 (15/136) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( 0.574 0.994 1.514) 1.900 2.030 ( 1.074 1.860 6.752) 7.085 2.124 ( 1.125 1.949 -4.831) 5.329 2.518 ( 7.010 12.142 -10.468) 17.497 3.008 ( 5.400 9.352 0.690) 10.821 3.478 ( -3.621 -6.271 -5.377) 9.019 5.016 ( 10.499 18.185 -2.248) 21.118 5.912 ( -10.454 -18.106 1.371) 20.952 6.121 ( -1.269 -2.198 -12.873) 13.121 7.443 ( 6.059 10.495 8.788) 14.969 7.669 ( -1.581 -2.738 5.071) 5.976 8.135 ( -2.801 -4.851 -5.329) 7.732 8.397 ( -4.511 -7.813 -2.494) 9.360 8.819 ( -2.811 -4.868 6.076) 8.277 10.146 ( 2.553 4.422 2.704) 5.778 14.510 ( -4.048 -7.011 -11.122) 13.756 14.647 ( -2.421 -4.194 -12.760) 13.648 14.878 ( -5.470 -9.474 -7.355) 13.182 16.334 ( 3.966 6.870 -0.249) 7.936 16.543 ( 7.022 12.162 1.667) 14.142 17.117 ( -6.244 -10.815 -0.799) 12.513 17.596 ( 8.233 14.259 24.314) 29.364 18.487 ( -0.633 -1.097 7.746) 7.849 18.583 ( -3.199 -5.540 4.892) 8.053 19.266 ( 3.213 5.564 -2.535) 6.907 19.454 ( -0.442 -0.766 0.301) 0.934 19.528 ( -1.656 -2.869 -8.887) 9.484 ======================= Grid point 38 (16/136) ======================= q-point: ( 0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.955 ( -0.544 0.942 2.961) 3.155 2.003 ( 1.487 -2.576 6.026) 6.720 2.167 ( -0.672 1.164 -5.694) 5.851 2.706 ( -8.362 14.483 -8.494) 18.757 3.043 ( 5.698 -9.869 -6.175) 12.962 3.424 ( -7.101 12.299 0.086) 14.202 5.314 ( -1.607 2.783 -2.313) 3.960 5.608 ( 7.576 -13.123 -1.583) 15.235 6.099 ( 0.697 -1.206 -13.878) 13.948 7.572 ( -4.532 7.849 12.717) 15.616 7.647 ( -0.027 0.046 9.118) 9.118 8.107 ( -1.956 3.388 -8.549) 9.402 8.265 ( 2.500 -4.331 -4.695) 6.860 8.779 ( 4.211 -7.293 6.342) 10.542 10.191 ( -1.369 2.371 2.914) 3.998 14.418 ( -3.043 5.270 -12.898) 14.261 14.628 ( 7.810 -13.528 -18.117) 23.921 14.780 ( 1.821 -3.153 -0.823) 3.733 16.386 ( -6.695 11.595 -0.032) 13.389 16.766 ( 0.267 -0.463 0.676) 0.861 16.925 ( 3.994 -6.918 -0.219) 7.992 17.750 ( -6.468 11.203 26.832) 29.788 18.478 ( 0.285 -0.494 3.068) 3.121 18.515 ( 3.426 -5.935 7.445) 10.119 19.375 ( -2.476 4.288 -5.252) 7.218 19.379 ( -1.511 2.616 -0.107) 3.023 19.512 ( 3.538 -6.128 -5.764) 9.126 ======================= Grid point 133 (17/136) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.275 ( 0.000 0.000 13.051) 13.051 0.275 ( 0.000 0.000 13.051) 13.051 0.796 ( 0.000 0.000 38.217) 38.217 2.832 ( 0.000 -0.000 -5.790) 5.790 2.832 ( -0.000 0.000 -5.790) 5.790 3.436 ( 0.000 0.000 2.558) 2.558 3.833 ( 0.000 -0.000 3.575) 3.575 6.147 ( 0.000 -0.000 -8.703) 8.703 6.147 ( 0.000 -0.000 -8.703) 8.703 7.713 ( 0.000 0.000 3.887) 3.887 8.474 ( 0.000 -0.000 5.194) 5.194 8.474 ( 0.000 -0.000 5.194) 5.194 9.124 ( 0.000 -0.000 -0.602) 0.602 9.124 ( 0.000 0.000 -0.602) 0.602 9.183 ( 0.000 0.000 -3.566) 3.566 15.125 ( 0.000 -0.000 -9.272) 9.272 15.125 ( 0.000 0.000 -9.272) 9.272 15.262 ( 0.000 0.000 -1.104) 1.104 15.262 ( 0.000 -0.000 -1.104) 1.104 16.455 ( 0.000 0.000 -6.442) 6.442 16.455 ( 0.000 0.000 -6.442) 6.442 17.423 ( 0.000 0.000 2.139) 2.139 18.729 ( 0.000 -0.000 7.247) 7.247 18.729 ( 0.000 -0.000 7.247) 7.247 18.799 ( 0.000 0.000 2.993) 2.993 18.916 ( 0.000 0.000 3.919) 3.919 19.267 ( 0.000 0.000 -1.407) 1.407 ======================= Grid point 134 (18/136) ======================= q-point: ( 0.09 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.568 ( 14.506 13.737 9.264) 22.022 0.719 ( 16.083 6.519 16.728) 24.104 1.251 ( 39.381 20.791 15.269) 47.078 2.713 ( -5.136 -5.546 2.963) 8.119 2.790 ( -6.096 -9.346 9.825) 14.868 3.125 ( -9.636 -0.179 -3.401) 10.220 3.862 ( 2.496 0.467 2.719) 3.720 6.106 ( -2.175 1.757 -10.939) 11.291 6.231 ( 3.927 1.962 -5.303) 6.884 7.643 ( -5.865 -3.451 3.911) 7.849 8.444 ( 2.509 -9.575 3.509) 10.502 8.862 ( 0.566 9.766 -11.804) 15.330 9.042 ( -7.549 0.966 -2.628) 8.052 9.140 ( 0.079 1.189 -1.516) 1.929 9.302 ( 14.935 3.005 -3.377) 15.604 15.037 ( -0.120 -10.421 -8.740) 13.602 15.245 ( 0.700 1.563 -3.765) 4.136 15.395 ( 12.069 0.352 -4.118) 12.757 15.662 ( 17.362 19.521 -22.574) 34.527 16.310 ( -10.333 -5.393 -2.423) 11.905 16.478 ( -3.426 4.733 -0.981) 5.924 17.446 ( 1.890 0.544 1.439) 2.437 18.543 ( 0.924 -3.021 -6.580) 7.299 18.714 ( -7.239 9.154 6.362) 13.292 18.883 ( -0.377 -0.078 -0.760) 0.852 19.283 ( 13.547 1.064 -2.757) 13.866 19.291 ( 9.565 1.553 -3.113) 10.178 ======================= Grid point 135 (19/136) ======================= q-point: ( 0.18 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( 16.256 3.578 16.654) 23.546 1.129 ( 16.914 14.586 4.731) 22.830 2.076 ( 27.872 14.338 4.219) 31.627 2.531 ( -9.026 -6.656 16.080) 19.605 2.596 ( -2.590 -9.187 -2.342) 9.828 3.195 ( 11.539 12.480 -5.370) 17.825 3.896 ( 1.388 -1.828 1.673) 2.840 6.096 ( -1.150 1.529 -11.743) 11.898 6.318 ( 3.604 2.604 -2.630) 5.166 7.464 ( -9.087 -5.609 3.977) 11.395 8.372 ( 1.163 -11.352 0.489) 11.422 8.713 ( -15.642 -0.968 -2.776) 15.916 8.869 ( -10.844 -4.044 -4.305) 12.349 9.196 ( 1.824 4.717 -0.390) 5.072 9.571 ( 10.531 4.547 0.157) 11.472 14.933 ( -0.991 -9.455 -7.278) 11.973 15.277 ( 3.127 -1.735 -3.662) 5.118 15.610 ( 11.185 -1.241 -6.614) 13.054 15.901 ( -0.161 -7.118 1.286) 7.235 16.081 ( -6.391 4.930 -5.242) 9.624 16.474 ( -6.407 14.045 2.691) 15.670 17.477 ( 1.266 -0.473 0.349) 1.396 18.585 ( -1.775 5.568 -6.595) 8.812 18.687 ( -1.835 4.095 -3.929) 5.964 18.887 ( 1.261 0.490 -0.489) 1.439 19.336 ( 2.242 1.407 -0.414) 2.679 19.525 ( 10.523 -4.753 -2.633) 11.843 ======================= Grid point 136 (20/136) ======================= q-point: ( 0.27 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( 19.915 5.796 10.895) 23.428 1.520 ( 13.289 11.225 2.707) 17.605 2.332 ( -5.698 -2.823 -2.045) 6.679 2.362 ( 1.212 -3.149 7.450) 8.179 2.490 ( -2.177 -3.747 4.097) 5.963 3.779 ( 16.081 11.397 -1.713) 19.784 3.886 ( 16.386 5.470 3.098) 17.550 6.090 ( -0.218 -0.407 -11.254) 11.263 6.402 ( 2.612 3.181 -0.922) 4.218 7.247 ( -9.056 -5.659 3.869) 11.358 8.232 ( -3.795 -16.921 -5.319) 18.139 8.417 ( -16.658 3.362 2.025) 17.114 8.611 ( -12.325 -7.048 -4.319) 14.840 9.278 ( 2.278 4.572 1.098) 5.225 9.763 ( 6.963 4.365 3.730) 9.025 14.796 ( -4.643 -9.443 -2.138) 10.738 15.312 ( 6.972 -9.284 -4.023) 12.287 15.582 ( -13.118 2.792 5.672) 14.562 15.780 ( 7.739 -19.068 -7.460) 21.889 16.229 ( 10.500 8.934 -0.623) 13.801 16.549 ( -7.156 23.174 4.333) 24.638 17.466 ( -1.521 -1.944 -0.305) 2.487 18.551 ( -6.244 4.652 0.544) 7.805 18.725 ( -0.522 4.331 -12.120) 12.881 18.951 ( 5.049 1.348 -1.824) 5.535 19.376 ( 1.271 -0.211 1.450) 1.940 19.612 ( 6.248 -4.688 -1.605) 7.974 ======================= Grid point 137 (21/136) ======================= q-point: ( 0.36 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( 17.258 6.843 2.467) 18.728 1.800 ( 8.970 7.441 3.215) 12.090 2.209 ( -5.816 -0.160 -3.096) 6.590 2.279 ( -5.067 -4.953 2.524) 7.522 2.486 ( 6.088 -2.605 11.759) 13.495 3.627 ( -10.401 -9.608 1.854) 14.280 4.721 ( 38.566 21.986 0.052) 44.393 6.079 ( 0.402 -2.465 -10.094) 10.398 6.443 ( -1.589 0.572 0.610) 1.796 7.061 ( -6.938 -3.423 3.124) 8.343 7.904 ( -14.015 -11.076 -5.131) 18.585 8.262 ( -5.987 0.469 0.005) 6.005 8.334 ( -10.613 -7.772 -3.769) 13.684 9.357 ( 1.750 3.982 2.128) 4.842 9.897 ( 4.106 3.549 5.251) 7.552 14.594 ( -6.860 -9.313 6.190) 13.119 15.312 ( 6.835 -14.560 -1.302) 16.137 15.465 ( -7.740 11.141 2.927) 13.878 15.696 ( 7.845 -23.851 -11.699) 27.700 16.538 ( 13.132 9.153 1.001) 16.038 16.656 ( -8.567 25.413 6.979) 27.711 17.381 ( -5.452 -3.147 -0.322) 6.303 18.495 ( -3.638 1.597 -2.098) 4.493 18.746 ( -3.095 6.506 -10.536) 12.764 19.065 ( 6.175 1.324 -1.610) 6.517 19.362 ( -0.907 -3.259 3.046) 4.552 19.666 ( 4.294 -2.505 -2.504) 5.566 ======================= Grid point 138 (22/136) ======================= q-point: ( 0.45 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( 7.808 4.605 -2.003) 9.284 1.975 ( 2.945 4.685 -1.534) 5.743 2.125 ( -3.483 -1.495 -2.183) 4.374 2.147 ( -4.886 -1.102 2.965) 5.821 2.636 ( 12.245 -3.589 18.930) 22.829 3.338 ( -9.212 -8.658 1.211) 12.700 5.518 ( 29.415 16.405 -1.626) 33.720 6.027 ( -4.995 -5.328 -9.588) 12.053 6.310 ( -7.218 -7.837 2.992) 11.067 6.959 ( -4.029 2.137 2.394) 5.151 7.648 ( -6.633 -1.920 -4.912) 8.475 8.133 ( -4.018 -4.924 -2.913) 6.992 8.195 ( -1.885 -0.395 -1.914) 2.716 9.408 ( -0.026 2.847 2.612) 3.864 9.969 ( 0.983 2.040 5.794) 6.221 14.432 ( -1.985 -5.929 11.027) 12.676 15.291 ( 2.582 -5.423 0.888) 6.071 15.481 ( -0.772 4.280 1.981) 4.779 15.606 ( 10.593 -24.799 -15.521) 31.114 16.703 ( -10.591 22.338 8.487) 26.138 16.853 ( 8.606 7.857 0.862) 11.685 17.230 ( -7.647 -2.315 0.361) 7.997 18.463 ( -0.970 0.046 -4.360) 4.467 18.753 ( -4.313 7.840 -10.256) 13.611 19.182 ( 6.277 0.665 0.682) 6.349 19.288 ( -2.746 -4.889 2.501) 6.139 19.703 ( 2.306 -1.857 -2.814) 4.084 ======================= Grid point 145 (23/136) ======================= q-point: ( 0.09 0.09 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( 5.815 10.073 18.387) 21.757 1.064 ( 13.052 22.607 6.978) 27.021 1.863 ( 19.441 33.673 4.840) 39.182 2.560 ( -4.451 -7.710 -7.671) 11.751 2.578 ( -5.659 -9.802 19.582) 22.617 3.180 ( 4.012 6.949 -4.464) 9.182 3.871 ( 0.052 0.090 1.031) 1.036 6.121 ( -0.210 -0.365 -11.133) 11.141 6.297 ( 2.364 4.094 -3.026) 5.613 7.521 ( -4.786 -8.290 3.825) 10.308 8.283 ( -4.283 -7.419 -1.273) 8.660 8.864 ( -4.358 -7.548 -6.722) 11.007 9.024 ( -3.483 -6.032 3.700) 7.887 9.102 ( -0.278 -0.481 -1.904) 1.983 9.511 ( 7.702 13.340 -2.416) 15.592 14.851 ( -4.125 -7.145 -12.844) 15.266 15.343 ( 0.262 0.454 -5.611) 5.636 15.408 ( 2.749 4.762 -4.159) 6.894 15.874 ( 0.948 1.642 1.607) 2.485 16.178 ( -4.489 -7.774 -3.754) 9.730 16.613 ( 5.430 9.404 0.737) 10.884 17.459 ( 0.309 0.536 0.653) 0.899 18.598 ( 4.078 7.064 -17.107) 18.952 18.809 ( 0.055 0.095 9.540) 9.541 18.870 ( -0.613 -1.062 0.264) 1.255 19.327 ( 1.526 2.643 -0.864) 3.172 19.349 ( 2.453 4.249 -6.359) 8.032 ======================= Grid point 146 (24/136) ======================= q-point: ( 0.18 0.09 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( 12.975 12.183 11.481) 21.180 1.487 ( 10.566 19.876 5.462) 23.163 2.295 ( 4.843 3.927 4.744) 7.835 2.412 ( -5.608 -2.370 0.132) 6.090 2.477 ( 0.740 -3.112 0.578) 3.251 3.530 ( 22.522 22.404 1.445) 31.800 3.842 ( -2.111 -3.814 -0.404) 4.378 6.097 ( -1.437 -1.666 -11.659) 11.865 6.377 ( 2.842 2.680 -0.277) 3.916 7.342 ( -7.202 -5.684 3.657) 9.877 8.122 ( -3.079 -13.194 -5.161) 14.498 8.655 ( -9.760 -7.916 -4.448) 13.330 8.804 ( -15.650 -0.465 2.918) 15.926 9.158 ( 8.264 -6.336 0.932) 10.455 9.746 ( 5.582 11.033 2.707) 12.657 14.736 ( -0.984 -8.813 -12.386) 15.233 15.252 ( -7.129 -4.144 -3.185) 8.839 15.453 ( 5.554 -15.982 -5.795) 17.884 15.853 ( -7.896 7.297 9.744) 14.510 16.116 ( 7.034 -0.537 0.175) 7.056 16.826 ( 1.826 19.369 1.810) 19.539 17.455 ( -0.202 -1.951 -0.135) 1.966 18.723 ( -6.486 5.368 2.940) 8.918 18.764 ( 1.277 5.394 -13.510) 14.602 18.881 ( 3.784 -1.624 2.282) 4.708 19.365 ( 0.149 1.437 -0.010) 1.445 19.442 ( 7.299 -2.775 -5.028) 9.287 ======================= Grid point 147 (25/136) ======================= q-point: ( 0.27 0.09 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( 16.817 13.173 4.587) 21.849 1.788 ( 5.525 12.688 4.072) 14.426 2.288 ( -1.221 -3.020 3.224) 4.583 2.344 ( -4.759 5.137 -3.256) 7.723 2.441 ( -2.205 -0.736 5.555) 6.022 3.700 ( -7.938 -7.776 -0.785) 11.140 4.286 ( 35.444 22.345 1.418) 41.924 6.045 ( -0.882 -4.346 -11.645) 12.461 6.427 ( 1.397 -1.961 1.615) 2.899 7.189 ( -7.380 1.283 3.313) 8.191 7.913 ( -4.757 -14.560 -7.358) 16.993 8.405 ( -9.615 -8.358 -4.046) 13.367 8.521 ( -16.935 1.477 2.745) 17.219 9.238 ( 8.574 -7.089 2.720) 11.452 9.922 ( 2.703 10.172 5.180) 11.731 14.610 ( -4.501 -8.608 -5.201) 11.018 15.074 ( -0.270 -13.952 -1.239) 14.009 15.337 ( 4.724 -22.551 -7.638) 24.274 15.786 ( -11.199 14.452 4.952) 18.942 16.363 ( 15.561 5.233 2.479) 16.603 17.031 ( -3.718 24.068 5.349) 24.934 17.410 ( -1.822 -3.497 -0.439) 3.968 18.605 ( -7.897 1.212 2.330) 8.322 18.838 ( -0.260 4.831 -8.421) 9.712 18.974 ( 5.957 1.386 -2.157) 6.485 19.354 ( -1.301 -1.441 1.045) 2.205 19.538 ( 6.882 -2.715 -4.681) 8.754 ======================= Grid point 148 (26/136) ======================= q-point: ( 0.36 0.09 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( 11.831 10.441 -2.213) 15.934 1.943 ( 3.991 4.157 3.132) 6.559 2.194 ( -6.231 -2.865 -3.938) 7.909 2.331 ( -4.072 7.423 2.835) 8.929 2.487 ( 2.926 9.495 11.451) 15.160 3.428 ( -12.047 -10.304 -0.260) 15.855 5.090 ( 35.565 14.182 -0.176) 38.288 5.989 ( 0.401 -6.467 -11.971) 13.612 6.328 ( -5.812 -12.519 2.738) 14.072 7.135 ( -6.287 11.195 3.312) 13.260 7.712 ( -5.003 -6.872 -5.951) 10.376 8.168 ( -7.394 -8.524 -4.864) 12.288 8.300 ( -10.073 2.117 1.418) 10.390 9.303 ( 7.541 -8.081 3.766) 11.677 10.035 ( -0.595 8.956 6.146) 10.878 14.434 ( -5.302 -6.797 5.306) 10.122 15.013 ( 9.870 -15.930 -6.136) 19.719 15.193 ( 5.314 -23.228 -9.238) 25.556 15.759 ( -10.244 16.590 3.212) 19.761 16.684 ( 14.585 5.713 1.857) 15.774 17.128 ( -9.177 14.350 5.941) 18.040 17.351 ( -5.394 6.743 3.136) 9.187 18.500 ( -4.329 -0.552 -2.416) 4.988 18.872 ( -1.084 4.553 -6.494) 8.005 19.079 ( 5.200 0.018 0.628) 5.238 19.301 ( -2.687 -1.863 0.177) 3.274 19.614 ( 5.044 -3.046 -4.387) 7.346 ======================= Grid point 149 (27/136) ======================= q-point: ( 0.45 0.09 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( -0.192 0.332 3.047) 3.071 2.046 ( -2.168 3.755 -8.507) 9.548 2.061 ( 0.770 -1.334 -1.652) 2.259 2.336 ( -6.237 10.802 4.159) 13.148 2.619 ( -3.782 6.551 14.823) 16.642 3.216 ( 1.958 -3.392 -1.285) 4.122 5.627 ( 5.664 -9.811 -0.460) 11.338 5.891 ( 2.307 -3.996 -11.971) 12.829 6.123 ( 4.978 -8.622 1.845) 10.125 7.150 ( -8.779 15.206 4.525) 18.132 7.634 ( -0.262 0.454 -5.178) 5.204 8.048 ( 1.961 -3.397 -4.623) 6.063 8.224 ( -1.789 3.098 -0.197) 3.582 9.329 ( 5.452 -9.442 4.104) 11.650 10.075 ( -4.136 7.163 6.386) 10.450 14.348 ( 1.527 -2.645 8.739) 9.257 15.067 ( 6.886 -11.926 0.390) 13.777 15.077 ( 14.681 -25.428 -17.921) 34.398 15.754 ( -9.797 16.969 2.703) 19.780 16.906 ( 1.093 -1.892 1.042) 2.421 17.041 ( -2.920 5.058 3.310) 6.713 17.353 ( -11.025 19.096 8.352) 23.578 18.458 ( 0.028 -0.048 -4.727) 4.727 18.887 ( -2.525 4.374 -6.870) 8.527 19.134 ( 2.721 -4.714 5.480) 7.724 19.255 ( -0.972 1.684 -3.022) 3.594 19.643 ( 2.473 -4.283 -4.200) 6.488 ======================= Grid point 158 (28/136) ======================= q-point: ( 0.18 0.18 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( 10.723 18.572 4.589) 21.931 1.810 ( 6.231 10.793 3.915) 13.063 2.275 ( -1.155 -2.000 5.027) 5.532 2.417 ( -2.318 -4.015 0.763) 4.699 2.485 ( 4.975 8.617 -2.608) 10.286 3.734 ( -4.353 -7.539 -2.445) 9.042 4.064 ( 17.555 30.407 3.226) 35.259 6.030 ( -2.754 -4.770 -12.370) 13.541 6.399 ( -0.670 -1.160 2.576) 2.904 7.272 ( -0.506 -0.876 3.401) 3.548 7.868 ( -6.824 -11.820 -8.270) 15.959 8.444 ( -7.000 -12.124 -5.312) 14.974 8.758 ( -3.955 -6.850 6.881) 10.484 9.050 ( -1.368 -2.370 0.573) 2.796 9.955 ( 5.561 9.632 5.192) 12.274 14.592 ( -3.516 -6.090 -14.322) 15.955 15.057 ( -10.506 -18.198 5.507) 21.723 15.140 ( -5.433 -9.411 -5.773) 12.305 16.094 ( 2.121 3.675 0.189) 4.247 16.119 ( 7.101 12.299 7.486) 16.054 17.198 ( 10.302 17.844 2.871) 20.803 17.395 ( -2.439 -4.224 -0.293) 4.886 18.746 ( -1.762 -3.052 7.644) 8.417 18.807 ( -1.054 -1.825 -0.328) 2.133 18.931 ( 4.296 7.440 -10.814) 13.811 19.382 ( -0.359 -0.622 -7.054) 7.091 19.430 ( 1.163 2.015 -0.153) 2.332 ======================= Grid point 159 (29/136) ======================= q-point: ( 0.27 0.18 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( 12.048 16.102 -1.197) 20.145 1.930 ( 1.992 2.966 1.919) 4.055 2.250 ( -2.325 -1.456 -4.846) 5.569 2.323 ( -0.298 -3.071 9.632) 10.114 2.711 ( 1.175 21.780 1.580) 21.869 3.529 ( -9.968 -9.321 -2.919) 13.956 4.685 ( 26.145 17.977 2.268) 31.810 5.930 ( -1.747 -6.600 -13.514) 15.140 6.292 ( -5.355 -12.112 3.591) 13.721 7.317 ( -0.261 11.270 3.725) 11.873 7.692 ( -2.013 -6.944 -8.245) 10.966 8.202 ( -7.451 -10.863 -5.810) 14.397 8.544 ( -14.349 -0.948 5.345) 15.341 9.059 ( 7.761 -9.654 2.946) 12.732 10.115 ( 2.335 8.729 6.427) 11.088 14.467 ( -5.226 -5.822 -8.187) 11.324 14.746 ( -1.368 -18.801 0.563) 18.859 14.983 ( -0.819 -12.175 -3.118) 12.594 16.095 ( -8.937 15.483 1.792) 17.966 16.455 ( 17.208 4.773 3.729) 18.243 17.272 ( -5.616 -5.277 0.202) 7.709 17.529 ( 4.711 20.737 4.933) 21.830 18.616 ( -9.071 0.140 2.550) 9.423 18.817 ( 5.180 -6.166 2.820) 8.532 19.054 ( 2.202 5.576 -7.806) 9.842 19.348 ( -3.184 0.924 -4.458) 5.556 19.491 ( 5.104 -2.324 -2.646) 6.201 ======================= Grid point 160 (30/136) ======================= q-point: ( 0.36 0.18 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.973 ( 1.731 2.390 1.531) 3.325 2.007 ( 4.934 4.752 -4.223) 8.047 2.141 ( -4.710 -2.895 -5.039) 7.480 2.405 ( 3.010 6.796 10.611) 12.956 2.925 ( -2.441 24.995 1.811) 25.180 3.231 ( -12.741 -8.344 -1.797) 15.336 5.268 ( 25.881 4.512 1.477) 26.313 5.847 ( -1.423 -7.357 -14.640) 16.446 5.997 ( -6.194 -19.018 2.452) 20.151 7.456 ( -3.792 19.731 5.048) 20.716 7.651 ( -0.594 0.487 -5.514) 5.568 8.004 ( -3.318 -7.822 -6.529) 10.716 8.322 ( -8.291 -0.587 2.812) 8.774 9.091 ( 8.178 -12.181 4.198) 15.260 10.201 ( -1.523 7.121 6.862) 10.006 14.328 ( -3.100 -3.843 3.718) 6.180 14.641 ( 9.030 -18.976 -11.796) 24.099 14.884 ( 2.218 -9.399 -0.734) 9.685 16.096 ( -9.664 16.886 1.589) 19.520 16.768 ( 13.521 2.838 2.116) 13.977 17.095 ( -6.476 -7.784 0.813) 10.158 17.749 ( -5.836 23.306 8.861) 25.608 18.485 ( -4.604 -0.708 -2.929) 5.503 18.842 ( 5.419 -7.636 3.855) 10.126 19.115 ( -0.548 3.950 -6.171) 7.347 19.308 ( -2.738 2.053 -2.558) 4.273 19.540 ( 4.157 -4.421 -3.611) 7.061 ======================= Grid point 166 (31/136) ======================= q-point: (-0.09 0.18 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( -7.259 12.574 20.248) 24.916 0.923 ( -13.156 22.787 -0.048) 26.312 1.903 ( -19.652 34.038 7.614) 40.035 2.600 ( 5.037 -8.725 19.915) 22.319 2.755 ( 3.272 -5.667 2.049) 6.857 3.032 ( -3.171 5.493 -12.579) 14.087 3.915 ( -1.475 2.554 2.495) 3.863 6.069 ( 0.310 -0.537 -12.275) 12.291 6.292 ( -1.903 3.296 -3.212) 4.980 7.526 ( 4.622 -8.006 3.891) 10.030 8.495 ( 1.917 -3.320 7.503) 8.426 8.787 ( 3.169 -5.489 -10.450) 12.221 8.874 ( 4.988 -8.639 -3.047) 10.431 9.082 ( 1.758 -3.045 -3.030) 4.642 9.547 ( -6.489 11.239 -0.115) 12.978 15.014 ( 2.409 -4.173 -1.026) 4.927 15.419 ( -5.641 9.770 -5.518) 12.559 15.549 ( -4.694 8.130 -0.265) 9.391 15.873 ( -6.916 11.978 -30.345) 33.348 16.083 ( 8.334 -14.435 11.977) 20.525 16.331 ( 4.529 -7.845 0.151) 9.060 17.481 ( -0.913 1.582 0.750) 1.975 18.534 ( 3.022 -5.235 0.139) 6.046 18.631 ( -2.177 3.771 -8.657) 9.690 18.880 ( -0.312 0.541 -1.318) 1.458 19.320 ( -1.304 2.259 -1.290) 2.910 19.581 ( -5.631 9.753 -1.862) 11.415 ======================= Grid point 170 (32/136) ======================= q-point: ( 0.27 0.27 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( 1.200 2.078 1.419) 2.787 1.986 ( 4.253 7.366 -4.934) 9.833 2.161 ( -3.381 -5.856 -1.245) 6.875 2.419 ( 6.992 12.110 5.138) 14.898 3.037 ( 2.789 4.831 2.266) 6.021 3.382 ( -1.054 -1.825 -3.681) 4.242 5.026 ( 10.173 17.621 2.960) 20.561 5.815 ( -2.541 -4.401 -15.996) 16.784 5.957 ( -11.973 -20.739 3.119) 24.149 7.602 ( 9.322 16.147 6.469) 19.735 7.649 ( 1.160 2.009 -6.912) 7.291 7.998 ( -5.334 -9.239 -7.788) 13.208 8.432 ( -6.194 -10.728 5.438) 13.528 8.916 ( -2.288 -3.964 3.134) 5.547 10.251 ( 2.791 4.834 7.047) 8.990 14.374 ( -2.571 -4.453 -10.560) 11.745 14.427 ( -6.235 -10.799 3.082) 12.844 14.817 ( -3.063 -5.306 -1.160) 6.235 16.330 ( 3.900 6.754 -0.209) 7.802 16.599 ( 6.247 10.821 4.000) 13.119 17.112 ( -5.736 -9.935 0.584) 11.487 17.924 ( 10.257 17.766 6.327) 21.468 18.601 ( -2.166 -3.752 3.042) 5.293 18.666 ( -3.546 -6.142 2.075) 7.390 19.148 ( 2.101 3.639 -8.190) 9.205 19.368 ( 0.132 0.229 -5.426) 5.433 19.452 ( -0.617 -1.069 -0.374) 1.289 ======================= Grid point 171 (33/136) ======================= q-point: ( 0.36 0.27 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.008 ( -1.018 1.764 1.526) 2.545 2.052 ( -0.214 0.370 -4.932) 4.950 2.078 ( 1.611 -2.789 -0.414) 3.247 2.626 ( -7.199 12.469 2.774) 14.663 2.963 ( 6.147 -10.648 -0.854) 12.324 3.421 ( -8.025 13.899 -0.448) 16.056 5.322 ( -1.326 2.298 3.076) 4.062 5.615 ( 7.532 -13.046 1.986) 15.195 5.772 ( 1.812 -3.139 -16.651) 17.041 7.703 ( -2.284 3.955 -4.724) 6.571 7.804 ( -2.847 4.931 8.436) 10.178 7.912 ( -3.853 6.673 -9.266) 12.051 8.244 ( 4.385 -7.596 3.437) 9.420 8.884 ( 3.871 -6.705 3.662) 8.565 10.300 ( -1.509 2.613 7.212) 7.818 14.286 ( 0.040 -0.070 0.294) 0.304 14.361 ( 4.957 -8.587 -7.477) 12.418 14.765 ( 1.709 -2.960 -0.663) 3.481 16.386 ( -6.029 10.443 0.003) 12.059 16.795 ( 0.120 -0.208 2.361) 2.373 16.937 ( 3.549 -6.147 1.628) 7.282 18.148 ( -8.599 14.895 10.186) 19.989 18.486 ( -1.027 1.780 -2.427) 3.180 18.634 ( 6.843 -11.852 3.356) 14.092 19.187 ( -1.412 2.447 -9.794) 10.193 19.361 ( -1.781 3.085 -1.521) 3.874 19.448 ( 2.569 -4.449 -1.710) 5.415 ======================= Grid point 177 (34/136) ======================= q-point: (-0.18 0.27 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( -9.537 17.193 14.101) 24.195 1.379 ( -14.186 17.586 -0.209) 22.596 2.344 ( -4.786 6.300 0.054) 7.912 2.422 ( 4.997 -4.234 11.596) 13.318 2.609 ( 7.748 -1.100 3.925) 8.755 3.447 ( -27.024 22.837 -2.475) 35.468 3.931 ( 1.926 0.729 2.882) 3.542 6.078 ( -1.142 0.064 -12.207) 12.260 6.349 ( -2.261 0.865 -1.175) 2.691 7.348 ( 7.281 -6.025 3.519) 10.084 8.354 ( 5.301 -12.648 3.141) 14.069 8.558 ( 15.460 -0.230 -5.829) 16.523 8.716 ( 7.818 -6.791 -2.444) 10.641 9.083 ( -8.367 -8.747 -2.224) 12.306 9.741 ( -4.721 9.092 2.886) 10.643 14.922 ( 4.514 -2.916 -0.019) 5.374 15.494 ( 9.159 11.462 -0.151) 14.673 15.666 ( 8.857 -2.845 5.500) 10.806 15.854 ( -15.659 -7.720 5.999) 18.460 16.137 ( -0.904 11.818 -18.648) 22.096 16.220 ( -5.317 -8.073 -0.711) 9.693 17.489 ( 0.935 -0.650 0.283) 1.174 18.455 ( -0.364 -6.218 -3.576) 7.182 18.681 ( -0.750 -0.295 -8.062) 8.102 18.929 ( -3.015 3.818 -2.819) 5.623 19.369 ( -1.699 2.041 -0.957) 2.823 19.693 ( -0.008 5.174 1.739) 5.459 ======================= Grid point 189 (35/136) ======================= q-point: (-0.27 0.36 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( -11.417 15.593 6.654) 20.440 1.725 ( -8.293 12.793 0.470) 15.253 2.243 ( 4.932 -4.724 -0.302) 6.836 2.408 ( 6.264 2.719 4.621) 8.245 2.541 ( 0.312 5.978 8.067) 10.045 3.795 ( 9.199 -1.583 3.300) 9.900 4.285 ( -36.299 22.458 1.245) 42.703 6.095 ( -0.412 -0.008 -10.264) 10.273 6.384 ( -2.517 -2.444 0.496) 3.543 7.179 ( 7.847 -1.478 2.174) 8.276 8.044 ( 12.044 -17.234 -2.669) 21.194 8.349 ( 9.602 0.868 -3.231) 10.168 8.484 ( 12.021 -3.742 -1.225) 12.649 9.156 ( -10.599 -10.521 -0.309) 14.937 9.891 ( -2.924 7.964 4.236) 9.482 14.779 ( 10.144 -1.385 4.438) 11.159 15.293 ( 4.835 -13.486 10.787) 17.933 15.629 ( 6.540 16.313 -1.379) 17.629 15.942 ( -1.817 -9.695 8.464) 12.998 16.307 ( -14.638 4.875 -4.875) 16.180 16.366 ( -4.737 8.911 -14.263) 17.472 17.428 ( 3.824 -3.663 -0.079) 5.296 18.423 ( -2.591 -5.415 -5.339) 8.033 18.662 ( 0.049 -3.835 -8.072) 8.937 19.040 ( -4.145 5.242 -2.929) 7.296 19.404 ( 0.205 1.459 0.359) 1.516 19.716 ( 1.126 2.634 1.850) 3.410 ======================= Grid point 190 (36/136) ======================= q-point: (-0.18 0.36 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( -9.613 16.650 8.086) 20.857 1.725 ( -8.422 14.588 -0.862) 16.866 2.263 ( 3.600 -6.236 1.266) 7.311 2.476 ( -2.074 3.593 7.487) 8.559 2.597 ( -0.869 1.505 3.752) 4.135 3.898 ( 2.478 -4.293 4.095) 6.429 4.031 ( -19.346 33.508 1.833) 38.735 6.087 ( -0.160 0.277 -10.876) 10.881 6.348 ( 0.440 -0.762 1.164) 1.459 7.245 ( 2.395 -4.148 1.441) 5.001 8.048 ( 9.676 -16.760 -1.716) 19.428 8.443 ( 5.489 -9.508 -5.281) 12.183 8.665 ( 1.819 -3.151 4.036) 5.434 8.920 ( 3.036 -5.259 -4.632) 7.637 9.910 ( -4.535 7.854 3.784) 9.827 14.860 ( 1.956 -3.388 1.139) 4.075 15.325 ( 9.923 -17.187 17.435) 26.417 15.665 ( 4.036 -6.991 12.608) 14.971 15.939 ( -8.729 15.119 -3.493) 17.804 16.107 ( -1.171 2.028 0.900) 2.509 16.457 ( -8.537 14.787 -26.309) 31.364 17.441 ( 2.458 -4.258 0.324) 4.927 18.362 ( 1.796 -3.111 -7.225) 8.069 18.648 ( 1.680 -2.910 -6.177) 7.032 19.030 ( -3.460 5.993 -3.198) 7.624 19.410 ( -1.063 1.841 -1.365) 2.527 19.741 ( -0.136 0.236 3.920) 3.929 ======================= Grid point 201 (37/136) ======================= q-point: (-0.36 0.45 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( -7.103 7.207 -3.335) 10.654 1.910 ( -3.645 4.047 0.695) 5.491 2.155 ( 2.065 0.264 1.182) 2.394 2.307 ( 9.679 6.926 3.534) 12.415 2.700 ( -5.820 15.164 13.546) 21.150 3.538 ( 15.493 -4.842 4.685) 16.895 5.107 ( -35.388 15.408 0.707) 38.604 6.072 ( 2.158 -3.598 -7.713) 8.781 6.364 ( 1.340 -4.665 2.843) 5.625 7.053 ( 7.968 3.255 -0.679) 8.634 7.696 ( 9.280 -11.461 -5.257) 15.656 8.216 ( 5.536 -2.778 -2.665) 6.743 8.276 ( 8.925 1.052 -0.728) 9.016 9.223 ( -9.686 -11.655 0.734) 15.172 9.993 ( -0.350 6.646 4.768) 8.186 14.582 ( 10.289 0.417 11.453) 15.402 15.157 ( -3.135 -12.442 6.218) 14.258 15.686 ( 6.006 16.309 0.427) 17.385 15.857 ( -0.520 -9.236 8.977) 12.891 16.466 ( 1.449 9.958 -16.941) 19.704 16.658 ( -16.282 4.869 -0.503) 17.002 17.285 ( 6.642 -6.541 -0.315) 9.328 18.432 ( -2.843 -2.725 -5.560) 6.813 18.617 ( -1.444 -6.894 -9.692) 11.981 19.163 ( -3.997 5.308 -1.815) 6.888 19.380 ( 3.897 0.803 2.070) 4.485 19.722 ( -0.060 0.721 0.394) 0.824 ======================= Grid point 202 (38/136) ======================= q-point: (-0.27 0.45 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( -5.669 8.880 -1.909) 10.707 1.903 ( -2.248 3.879 0.402) 4.501 2.182 ( 0.978 -0.239 2.847) 3.020 2.529 ( 3.354 9.752 8.322) 13.252 2.732 ( -6.780 13.126 4.308) 15.389 3.735 ( 11.141 -4.914 5.564) 13.387 4.714 ( -27.440 20.733 3.697) 34.591 6.060 ( 1.797 -4.481 -6.959) 8.470 6.330 ( -0.190 -2.259 3.090) 3.832 7.189 ( 3.218 2.324 -2.603) 4.746 7.723 ( 8.994 -14.507 -5.652) 17.980 8.270 ( 5.016 -5.483 -2.554) 7.858 8.504 ( 13.942 2.549 2.287) 14.356 8.909 ( -10.164 -13.554 -2.349) 17.104 10.044 ( -2.267 7.021 4.006) 8.395 14.763 ( 8.327 -0.021 5.556) 10.011 15.040 ( 3.918 -11.687 15.489) 19.796 15.527 ( -3.891 -18.790 18.235) 26.471 16.055 ( 8.866 18.350 -0.384) 20.383 16.381 ( -19.676 3.700 -1.228) 20.058 16.704 ( -0.522 18.512 -27.900) 33.487 17.317 ( 5.220 -7.570 0.003) 9.195 18.337 ( -2.576 -3.147 -8.586) 9.501 18.573 ( 2.209 -5.081 -6.710) 8.702 19.153 ( -3.767 6.055 -2.150) 7.448 19.430 ( 0.853 1.035 -0.885) 1.607 19.724 ( 0.829 -1.471 3.974) 4.318 ======================= Grid point 211 (39/136) ======================= q-point: (-0.45 0.55 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( -1.521 -2.635 -9.634) 10.103 1.955 ( -0.539 -0.933 1.985) 2.258 2.161 ( 1.885 3.265 2.593) 4.575 2.244 ( 7.754 13.429 3.745) 15.953 2.912 ( 7.851 13.598 18.698) 24.416 3.298 ( 0.346 0.599 2.363) 2.462 5.635 ( -5.368 -9.298 -0.163) 10.738 5.932 ( -1.569 -2.718 -4.925) 5.840 6.303 ( 0.638 1.105 3.461) 3.689 6.992 ( 4.136 7.164 -2.667) 8.691 7.559 ( -2.115 -3.663 -6.553) 7.799 8.139 ( 0.949 1.643 -0.163) 1.905 8.212 ( 1.637 2.836 -2.530) 4.138 9.250 ( -7.536 -13.053 1.031) 15.108 10.029 ( 2.835 4.910 4.910) 7.500 14.489 ( 2.717 4.707 13.847) 14.875 15.126 ( -6.220 -10.773 4.408) 13.198 15.726 ( 10.019 17.354 1.284) 20.080 15.805 ( -5.631 -9.754 9.169) 14.523 16.502 ( 5.116 8.862 -16.562) 19.468 16.883 ( -1.649 -2.857 -0.462) 3.331 17.138 ( -1.592 -2.758 -0.328) 3.201 18.448 ( -0.612 -1.060 -4.863) 5.014 18.591 ( -4.759 -8.244 -11.171) 14.677 19.257 ( 1.019 1.765 -3.188) 3.783 19.315 ( 1.913 3.313 4.644) 6.017 19.728 ( -0.180 -0.312 -0.212) 0.418 ======================= Grid point 213 (40/136) ======================= q-point: (-0.36 0.55 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( -0.734 -0.369 -7.572) 7.616 1.931 ( -0.804 -0.859 0.505) 1.280 2.213 ( -0.078 3.855 3.954) 5.523 2.562 ( 8.564 17.023 6.501) 20.135 3.049 ( -10.873 17.848 7.854) 22.326 3.432 ( 17.119 -5.736 6.833) 19.304 5.314 ( -23.574 6.240 3.696) 24.665 5.910 ( 5.512 -11.837 -1.586) 13.153 6.311 ( 0.207 -1.060 4.220) 4.356 7.167 ( 5.226 7.541 -7.624) 11.929 7.509 ( 2.375 -7.056 -9.038) 11.710 8.184 ( 2.158 0.676 1.604) 2.773 8.319 ( 8.598 2.317 -0.310) 8.910 8.945 ( -10.271 -15.557 -0.952) 18.666 10.119 ( 0.895 5.531 4.040) 6.908 14.622 ( 7.674 3.789 13.804) 16.242 14.954 ( -3.058 -7.918 7.672) 11.442 15.443 ( -9.940 -21.791 21.406) 32.123 16.076 ( 9.689 17.965 0.488) 20.417 16.723 ( -14.219 3.673 -1.912) 14.809 16.830 ( 7.267 18.231 -27.303) 33.625 17.126 ( 5.891 -9.282 -0.889) 11.029 18.384 ( -5.577 -2.127 -8.042) 10.015 18.478 ( 1.676 -6.961 -8.278) 10.945 19.271 ( -2.834 5.406 -1.771) 6.356 19.393 ( 3.932 0.604 0.737) 4.046 19.702 ( -0.762 -2.486 2.968) 3.946 ======================= Grid point 214 (41/136) ======================= q-point: (-0.27 0.55 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( -0.187 0.324 -6.517) 6.528 1.919 ( 0.512 -0.888 -0.330) 1.077 2.231 ( -1.938 3.356 4.563) 5.987 2.760 ( -6.916 11.980 12.593) 18.706 3.003 ( -7.495 12.981 0.145) 14.990 3.588 ( 5.679 -9.836 5.206) 12.494 5.112 ( -11.388 19.724 6.739) 23.752 5.894 ( 7.044 -12.200 -0.473) 14.096 6.304 ( 0.337 -0.584 4.507) 4.557 7.256 ( -2.222 3.849 -9.190) 10.208 7.496 ( 4.707 -8.153 -10.332) 13.978 8.207 ( 0.018 -0.032 1.561) 1.562 8.496 ( 3.337 -5.780 6.004) 8.977 8.686 ( 3.477 -6.021 -6.292) 9.377 10.156 ( -2.334 4.043 3.709) 5.963 14.767 ( 0.596 -1.032 1.613) 2.005 14.862 ( 2.550 -4.417 22.610) 23.178 15.207 ( 7.275 -12.600 21.253) 25.756 16.339 ( -3.843 6.657 0.106) 7.687 16.521 ( -7.616 13.191 -0.929) 15.260 17.011 ( -6.639 11.499 -31.062) 33.781 17.129 ( 6.511 -11.278 -0.068) 13.023 18.308 ( -0.241 0.417 -9.050) 9.063 18.464 ( 3.317 -5.745 -6.918) 9.584 19.273 ( -3.407 5.901 -1.444) 6.966 19.436 ( 0.411 -0.711 -1.524) 1.731 19.677 ( 1.543 -2.672 5.219) 6.063 ======================= Grid point 225 (42/136) ======================= q-point: (-0.36 0.64 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( 0.089 0.154 -5.259) 5.262 1.905 ( -0.784 -1.358 -1.776) 2.369 2.267 ( 0.833 1.442 3.914) 4.254 2.899 ( 8.845 15.321 9.484) 20.073 3.189 ( -4.115 -7.128 7.730) 11.292 3.422 ( 3.458 5.989 0.082) 6.916 5.409 ( 2.535 4.391 6.577) 8.305 5.671 ( -5.836 -10.108 4.235) 12.416 6.299 ( -0.183 -0.317 5.107) 5.120 7.306 ( 3.092 5.356 -12.943) 14.344 7.410 ( -1.998 -3.460 -12.730) 13.342 8.254 ( 2.945 5.101 5.777) 8.250 8.359 ( 1.064 1.842 2.708) 3.444 8.652 ( -6.940 -12.021 -4.807) 14.690 10.197 ( 1.197 2.074 3.589) 4.315 14.729 ( 3.379 5.853 8.264) 10.676 14.858 ( -0.505 -0.874 15.279) 15.312 15.066 ( -8.528 -14.770 23.917) 29.376 16.386 ( 6.595 11.422 -0.053) 13.190 16.757 ( 0.041 0.071 -0.523) 0.530 16.931 ( -4.119 -7.134 -0.277) 8.242 17.130 ( 4.810 8.331 -32.125) 33.535 18.344 ( -1.283 -2.222 -8.964) 9.324 18.373 ( -1.350 -2.338 -6.922) 7.430 19.360 ( 1.618 2.803 -2.013) 3.812 19.405 ( 0.338 0.585 -0.811) 1.055 19.645 ( -1.353 -2.343 5.592) 6.212 ======================= Grid point 266 (43/136) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.523 ( 0.000 0.000 10.999) 10.999 0.523 ( 0.000 -0.000 10.999) 10.999 1.544 ( 0.000 0.000 34.815) 34.815 2.664 ( 0.000 -0.000 -10.364) 10.364 2.664 ( -0.000 0.000 -10.364) 10.364 3.490 ( 0.000 0.000 2.162) 2.162 3.930 ( 0.000 0.000 5.592) 5.592 5.921 ( 0.000 0.000 -12.474) 12.474 5.921 ( 0.000 -0.000 -12.474) 12.474 7.828 ( 0.000 0.000 7.164) 7.164 8.606 ( -0.000 0.000 7.224) 7.224 8.606 ( 0.000 -0.000 7.224) 7.224 9.078 ( 0.000 0.000 -6.585) 6.585 9.105 ( 0.000 0.000 -1.207) 1.207 9.105 ( -0.000 0.000 -1.207) 1.207 14.847 ( -0.000 -0.000 -17.464) 17.464 14.847 ( 0.000 -0.000 -17.464) 17.464 15.229 ( 0.000 0.000 -1.903) 1.903 15.229 ( 0.000 0.000 -1.903) 1.903 16.324 ( 0.000 -0.000 -5.418) 5.418 16.324 ( 0.000 0.000 -5.418) 5.418 17.483 ( 0.000 0.000 3.602) 3.602 18.802 ( 0.000 -0.000 -1.623) 1.623 18.903 ( 0.000 0.000 9.005) 9.005 18.903 ( 0.000 -0.000 9.005) 9.005 19.104 ( 0.000 0.000 12.713) 12.713 19.227 ( 0.000 0.000 -2.405) 2.405 ======================= Grid point 267 (44/136) ======================= q-point: ( 0.09 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( 10.337 21.796 7.034) 25.127 1.009 ( 25.955 5.217 11.158) 28.730 1.723 ( 19.622 8.396 27.808) 35.054 2.543 ( -0.164 -9.805 -12.045) 15.532 2.827 ( 4.171 11.387 -7.925) 14.487 3.229 ( -17.643 -11.478 9.157) 22.954 3.939 ( 1.097 -0.460 4.621) 4.771 5.848 ( -2.906 1.259 -13.281) 13.654 6.055 ( 6.612 2.922 -11.133) 13.274 7.757 ( -5.852 -3.393 7.173) 9.859 8.518 ( 0.644 -11.855 3.438) 12.360 8.746 ( -0.875 5.837 -0.923) 5.974 8.993 ( -9.984 1.857 -2.515) 10.462 9.093 ( -0.190 7.497 -2.518) 7.911 9.278 ( 16.166 -0.028 -0.021) 16.166 14.730 ( 4.369 -14.980 -19.697) 25.129 15.114 ( 1.951 15.718 -10.037) 18.751 15.305 ( 9.618 0.596 -5.177) 10.939 15.346 ( 9.897 12.739 -9.099) 18.521 16.249 ( -1.709 -7.148 -2.858) 7.885 16.408 ( 1.094 8.322 -4.131) 9.355 17.491 ( 0.692 0.134 2.995) 3.077 18.570 ( -8.326 -13.745 6.931) 17.501 18.851 ( -2.794 4.642 1.181) 5.545 18.887 ( -8.430 6.040 6.584) 12.284 19.252 ( 1.881 1.485 -2.046) 3.151 19.342 ( 15.650 -0.490 6.512) 16.958 ======================= Grid point 268 (45/136) ======================= q-point: ( 0.18 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( 14.936 15.023 7.003) 22.312 1.330 ( 10.584 5.542 14.224) 18.576 2.233 ( 16.069 5.774 9.310) 19.448 2.491 ( 9.063 -9.150 -5.537) 14.018 2.796 ( -14.471 -10.341 4.590) 18.369 3.135 ( 15.694 18.786 2.769) 24.635 3.944 ( 0.972 -2.842 2.949) 4.209 5.833 ( -0.946 1.865 -12.995) 13.162 6.192 ( 5.513 3.736 -9.292) 11.432 7.579 ( -9.225 -5.447 7.147) 12.878 8.374 ( -1.803 -15.730 -0.357) 15.837 8.642 ( -10.581 -1.386 -3.814) 11.332 8.782 ( -14.674 -0.768 -4.003) 15.229 9.201 ( 2.317 8.036 1.110) 8.437 9.596 ( 14.936 5.352 2.085) 16.002 14.680 ( 7.544 -15.707 -16.459) 23.970 15.189 ( -0.718 4.563 -4.089) 6.169 15.463 ( 8.925 -3.178 -5.413) 10.912 15.768 ( 12.482 22.298 -13.123) 28.727 16.126 ( -4.272 -6.748 3.247) 8.621 16.487 ( -3.112 10.708 1.168) 11.212 17.496 ( -0.158 -0.736 1.699) 1.858 18.404 ( 0.688 -5.751 -4.196) 7.153 18.765 ( -11.993 5.974 6.038) 14.696 18.866 ( 0.089 2.549 -1.106) 2.780 19.312 ( 2.598 2.540 -1.647) 3.989 19.533 ( 10.151 -5.340 2.509) 11.741 ======================= Grid point 269 (46/136) ======================= q-point: ( 0.27 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( 12.481 3.427 8.757) 15.628 1.603 ( 10.398 13.413 5.620) 17.878 2.261 ( -2.868 -4.410 -3.657) 6.407 2.502 ( -6.928 -9.246 2.555) 11.833 2.641 ( 6.981 -1.172 11.886) 13.834 3.770 ( 18.453 11.576 1.072) 21.810 3.953 ( 15.058 5.463 3.388) 16.372 5.845 ( 1.110 -0.056 -11.796) 11.849 6.316 ( 3.939 4.617 -7.486) 9.637 7.356 ( -9.958 -5.406 6.648) 13.137 8.130 ( -7.560 -17.872 -4.260) 19.867 8.429 ( -12.619 0.789 -1.069) 12.689 8.501 ( -14.116 -4.994 -5.861) 16.080 9.318 ( 2.771 6.487 2.668) 7.542 9.859 ( 9.517 5.536 5.346) 12.240 14.675 ( 8.297 -13.215 -9.601) 18.321 15.214 ( 2.425 -2.449 -4.541) 5.700 15.502 ( 2.226 -8.305 -4.552) 9.729 15.943 ( -6.646 -6.764 12.631) 15.794 16.192 ( 12.010 17.055 -5.158) 21.487 16.562 ( -3.626 18.423 -0.460) 18.782 17.461 ( -2.621 -2.098 0.329) 3.373 18.438 ( 3.730 1.366 -12.386) 13.007 18.607 ( -11.501 3.751 3.199) 12.513 18.915 ( 2.657 2.858 -1.739) 4.272 19.380 ( 1.989 2.438 -1.021) 3.308 19.601 ( 5.822 -7.476 0.383) 9.483 ======================= Grid point 270 (47/136) ======================= q-point: ( 0.36 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( 7.585 3.163 -0.548) 8.237 1.878 ( 6.776 9.943 4.007) 12.682 2.172 ( -2.285 -3.009 -0.106) 3.780 2.338 ( -3.706 -6.605 2.793) 8.072 2.767 ( 10.182 0.395 14.728) 17.909 3.684 ( -7.763 -10.617 3.750) 13.677 4.728 ( 36.887 20.776 0.669) 42.341 5.862 ( 2.278 -2.993 -10.242) 10.911 6.400 ( 0.265 2.860 -5.115) 5.866 7.148 ( -9.046 -2.969 5.107) 10.804 7.788 ( -12.835 -12.797 -5.322) 18.890 8.228 ( -10.285 -6.226 -5.824) 13.359 8.250 ( -8.235 -0.751 -1.673) 8.437 9.418 ( 1.785 5.479 3.581) 6.784 10.033 ( 5.184 4.270 7.494) 10.063 14.692 ( 6.203 -8.966 1.683) 11.032 15.223 ( 7.859 -13.268 -6.462) 16.720 15.418 ( -1.442 -7.444 -2.193) 7.893 15.752 ( -6.339 -6.673 13.121) 16.027 16.557 ( 12.713 12.962 -0.563) 18.164 16.713 ( -5.002 24.765 -1.491) 25.309 17.361 ( -5.920 -3.268 -0.885) 6.820 18.433 ( -6.113 -1.924 -7.315) 9.725 18.534 ( -2.266 8.599 -5.646) 10.533 19.013 ( 5.203 2.913 -2.989) 6.670 19.407 ( -0.598 -0.339 0.809) 1.061 19.614 ( 4.376 -6.202 -2.165) 7.893 ======================= Grid point 271 (48/136) ======================= q-point: ( 0.45 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( 0.936 4.068 -8.305) 9.295 2.019 ( 1.916 4.063 3.223) 5.528 2.135 ( 1.833 -3.965 2.442) 5.005 2.232 ( -3.653 -1.248 4.965) 6.289 3.019 ( 16.851 1.430 16.558) 23.668 3.394 ( -11.097 -12.926 5.336) 17.852 5.476 ( 27.316 14.181 -2.311) 30.865 5.836 ( -1.891 -6.685 -8.504) 10.981 6.325 ( -6.097 -5.862 -1.658) 8.619 7.025 ( -5.594 4.701 3.787) 8.230 7.517 ( -7.265 -3.544 -7.123) 10.775 8.055 ( -1.839 -6.375 -4.452) 7.990 8.144 ( -3.994 1.087 -2.945) 5.080 9.478 ( -0.504 4.149 3.988) 5.777 10.121 ( 1.227 2.346 8.431) 8.837 14.702 ( 3.000 -4.937 13.440) 14.629 15.233 ( 13.791 -21.974 -11.898) 28.541 15.335 ( 1.152 -8.145 -0.148) 8.227 15.628 ( -4.215 0.735 9.606) 10.515 16.834 ( -8.452 22.808 2.745) 24.478 16.863 ( 7.174 10.389 -0.550) 12.637 17.204 ( -7.770 -2.704 -2.178) 8.510 18.333 ( -2.622 -1.377 -8.577) 9.074 18.570 ( -3.835 8.535 -6.409) 11.342 19.126 ( 3.768 2.182 -4.318) 6.132 19.362 ( -1.311 -3.192 3.006) 4.577 19.631 ( 3.294 -4.299 -3.838) 6.637 ======================= Grid point 278 (49/136) ======================= q-point: ( 0.09 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( 6.012 10.414 15.122) 19.320 1.232 ( 12.575 21.781 9.150) 26.763 2.059 ( 13.356 23.133 14.388) 30.340 2.371 ( -3.760 -6.512 -10.589) 12.988 2.879 ( -10.161 -17.599 2.770) 20.510 3.114 ( 8.987 15.565 3.774) 18.365 3.918 ( -1.022 -1.770 3.415) 3.980 5.860 ( -0.211 -0.365 -13.433) 13.439 6.158 ( 3.861 6.688 -9.866) 12.529 7.636 ( -4.799 -8.311 7.284) 12.048 8.293 ( -6.628 -11.480 1.896) 13.390 8.711 ( -4.118 -7.133 -7.710) 11.282 9.052 ( -0.113 -0.196 -2.752) 2.761 9.094 ( -2.044 -3.540 3.035) 5.091 9.494 ( 10.303 17.845 0.732) 20.618 14.516 ( -4.043 -7.002 -17.924) 19.663 15.262 ( -0.542 -0.940 -2.837) 3.037 15.334 ( 3.495 6.053 -3.118) 7.654 15.775 ( 12.742 22.070 -13.431) 28.807 16.128 ( -2.816 -4.878 -1.243) 5.768 16.569 ( 4.422 7.660 -2.328) 9.146 17.492 ( -0.178 -0.308 2.436) 2.462 18.364 ( -2.912 -5.043 -2.974) 6.539 18.863 ( -0.020 -0.035 -0.867) 0.867 18.977 ( -0.604 -1.045 6.358) 6.472 19.305 ( 1.918 3.323 -1.014) 3.969 19.355 ( 1.492 2.584 4.626) 5.505 ======================= Grid point 279 (50/136) ======================= q-point: ( 0.18 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( 8.206 7.207 14.373) 18.052 1.631 ( 8.323 20.317 8.688) 23.612 2.272 ( -2.167 0.110 -6.819) 7.156 2.460 ( 11.076 2.817 3.798) 12.043 2.553 ( -7.712 -11.676 5.991) 15.221 3.581 ( 21.246 25.938 3.831) 33.747 3.862 ( -1.165 -5.408 2.311) 5.996 5.839 ( -0.983 -1.535 -12.689) 12.819 6.293 ( 4.244 5.719 -7.656) 10.456 7.455 ( -7.270 -6.113 7.204) 11.922 8.046 ( -5.829 -17.089 -2.193) 18.188 8.520 ( -7.725 -9.613 -8.041) 14.723 8.847 ( -18.737 5.385 0.754) 19.510 9.183 ( 11.139 -7.419 1.671) 13.488 9.816 ( 8.120 14.059 4.012) 16.724 14.434 ( 3.394 -9.230 -14.979) 17.919 15.201 ( -2.863 -4.143 -2.026) 5.429 15.403 ( 1.263 -3.872 -0.161) 4.076 16.032 ( -5.253 1.326 5.220) 7.523 16.136 ( 10.190 10.475 -0.209) 14.615 16.741 ( 3.435 15.715 -6.281) 17.269 17.470 ( -1.255 -2.095 1.602) 2.920 18.382 ( 4.296 3.511 -15.730) 16.680 18.828 ( -7.863 2.116 2.752) 8.595 18.921 ( -1.177 0.862 1.828) 2.338 19.372 ( 2.091 3.148 -0.806) 3.864 19.413 ( 5.989 -5.764 2.475) 8.673 ======================= Grid point 280 (51/136) ======================= q-point: ( 0.27 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( 9.485 7.389 6.566) 13.700 1.898 ( 4.680 11.090 6.527) 13.693 2.241 ( -6.076 2.069 -4.590) 7.891 2.348 ( -2.315 -1.446 0.375) 2.755 2.634 ( 6.923 0.390 12.539) 14.328 3.709 ( -6.168 -8.580 1.732) 10.708 4.330 ( 32.555 22.733 2.869) 39.810 5.800 ( 0.092 -4.655 -11.483) 12.391 6.397 ( 2.357 2.173 -4.657) 5.654 7.288 ( -8.176 -0.081 6.082) 10.190 7.772 ( -5.313 -17.180 -5.714) 18.869 8.277 ( -8.481 -10.647 -7.762) 15.670 8.567 ( -19.420 5.445 1.138) 20.201 9.296 ( 10.185 -7.000 2.937) 12.703 10.046 ( 3.983 11.624 6.546) 13.922 14.442 ( 8.423 -9.762 -9.136) 15.802 15.086 ( -2.866 -9.345 1.046) 9.830 15.305 ( -0.986 -14.032 3.423) 14.477 15.927 ( -9.936 6.731 8.197) 14.534 16.435 ( 13.465 8.280 4.183) 16.351 16.988 ( 1.813 23.165 -8.981) 24.911 17.402 ( -3.260 -3.889 0.429) 5.093 18.484 ( 0.039 2.615 -17.341) 17.537 18.693 ( -8.035 4.819 1.607) 9.506 18.966 ( 3.920 2.019 -0.587) 4.448 19.402 ( 0.413 -3.094 2.680) 4.114 19.463 ( 5.627 -3.054 -2.571) 6.899 ======================= Grid point 281 (52/136) ======================= q-point: ( 0.36 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( 5.469 6.622 -3.099) 9.131 2.029 ( 3.660 1.756 4.896) 6.360 2.115 ( -5.031 -3.928 -2.968) 7.039 2.380 ( -5.022 14.149 2.632) 15.243 2.798 ( 10.987 3.875 16.336) 20.065 3.460 ( -10.654 -11.546 3.753) 16.152 5.089 ( 32.424 14.821 0.070) 35.651 5.753 ( 1.572 -7.818 -10.255) 12.991 6.353 ( -5.193 -8.969 -0.467) 10.374 7.205 ( -5.854 9.658 3.043) 11.696 7.562 ( -4.379 -8.205 -7.347) 11.853 8.045 ( -5.818 -9.348 -6.767) 12.924 8.323 ( -13.633 4.250 0.364) 14.285 9.383 ( 8.197 -7.758 3.822) 11.916 10.183 ( -0.148 9.540 7.818) 12.335 14.523 ( 10.760 -7.639 0.893) 13.226 14.921 ( -1.223 -16.054 1.875) 16.209 15.155 ( 2.273 -15.893 2.945) 16.322 15.852 ( -9.861 12.513 5.939) 17.003 16.740 ( 12.891 6.596 3.612) 14.924 17.193 ( -5.237 14.638 -0.206) 15.548 17.309 ( -4.132 5.743 -6.610) 9.682 18.392 ( -6.928 -1.924 -9.441) 11.867 18.694 ( -1.631 6.542 -6.851) 9.612 19.080 ( 5.435 3.654 -1.566) 6.734 19.344 ( -1.560 -5.773 3.419) 6.888 19.523 ( 4.335 -2.669 -4.170) 6.580 ======================= Grid point 282 (53/136) ======================= q-point: ( 0.45 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( -2.036 3.526 -9.116) 9.984 2.032 ( 0.668 -1.157 0.591) 1.461 2.070 ( 1.484 -2.570 3.882) 4.886 2.410 ( -9.370 16.229 3.926) 19.147 3.018 ( 1.695 -2.935 21.399) 21.666 3.206 ( 1.908 -3.305 0.599) 3.862 5.616 ( 3.759 -6.511 -0.628) 7.544 5.645 ( 3.856 -6.679 -10.999) 13.433 6.167 ( 4.368 -7.565 1.922) 8.945 7.238 ( -8.543 14.797 3.723) 17.487 7.466 ( 0.661 -1.144 -10.233) 10.318 7.942 ( 2.648 -4.586 -5.280) 7.478 8.220 ( -3.508 6.077 -0.571) 7.040 9.416 ( 5.373 -9.306 4.118) 11.508 10.229 ( -4.225 7.317 8.180) 11.760 14.613 ( 2.657 -4.602 15.639) 16.517 14.792 ( 11.648 -20.175 -9.102) 25.011 15.094 ( 7.081 -12.264 2.670) 14.411 15.831 ( -8.521 14.759 4.777) 17.699 16.941 ( 0.489 -0.846 2.662) 2.836 17.111 ( -0.264 0.456 3.822) 3.859 17.365 ( -12.335 21.365 -8.307) 26.032 18.310 ( 0.103 -0.179 -9.667) 9.669 18.714 ( -3.061 5.302 -7.465) 9.654 19.179 ( -1.482 2.567 -4.173) 5.119 19.270 ( 3.148 -5.453 6.131) 8.789 19.549 ( 2.282 -3.953 -4.686) 6.541 ======================= Grid point 291 (54/136) ======================= q-point: ( 0.18 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( 6.554 11.352 9.637) 16.269 1.911 ( 3.639 6.304 5.696) 9.243 2.312 ( -5.626 -9.744 -2.224) 11.469 2.418 ( 8.449 14.635 -3.835) 17.328 2.534 ( 1.361 2.357 10.805) 11.143 3.721 ( -4.896 -8.480 1.294) 9.877 4.147 ( 17.396 30.130 4.676) 35.104 5.775 ( -2.704 -4.684 -11.864) 13.039 6.384 ( 1.461 2.531 -4.118) 5.049 7.374 ( -0.862 -1.493 6.457) 6.683 7.714 ( -8.993 -15.577 -6.159) 19.012 8.299 ( -7.064 -12.236 -8.503) 16.490 8.900 ( -3.543 -6.137 6.530) 9.636 9.034 ( -0.641 -1.111 -1.941) 2.326 10.076 ( 6.684 11.577 6.253) 14.758 14.310 ( -1.946 -3.371 -11.250) 11.905 15.074 ( -4.389 -7.603 -1.834) 8.968 15.236 ( -7.387 -12.795 10.598) 18.182 16.102 ( 2.099 3.635 0.523) 4.230 16.311 ( 5.791 10.030 10.457) 15.605 17.089 ( 10.665 18.472 -11.990) 24.468 17.408 ( -2.479 -4.295 1.549) 5.195 18.496 ( 3.483 6.032 -21.357) 22.464 18.851 ( -2.947 -5.104 2.514) 6.407 18.897 ( 1.715 2.971 1.578) 3.776 19.337 ( -1.122 -1.944 1.423) 2.658 19.426 ( 1.246 2.158 -0.268) 2.506 ======================= Grid point 292 (55/136) ======================= q-point: ( 0.27 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( 6.401 10.242 1.577) 12.180 1.976 ( 2.471 0.403 2.405) 3.471 2.150 ( -4.327 -5.982 -4.473) 8.632 2.558 ( 0.125 6.767 11.252) 13.131 2.761 ( 6.851 18.300 4.350) 20.018 3.517 ( -8.060 -10.413 1.929) 13.308 4.749 ( 23.721 19.389 3.653) 30.854 5.670 ( -1.692 -7.882 -11.020) 13.654 6.340 ( -4.452 -9.145 0.838) 10.205 7.383 ( -3.918 8.445 0.703) 9.336 7.511 ( 1.304 -6.622 -6.578) 9.425 8.056 ( -7.037 -11.308 -8.046) 15.560 8.650 ( -18.312 1.851 4.147) 18.867 9.103 ( 11.252 -11.132 1.443) 15.894 10.263 ( 2.816 9.612 7.576) 12.559 14.300 ( 5.250 -4.522 -5.374) 8.769 14.892 ( -8.761 -10.567 6.998) 15.408 14.986 ( -1.067 -15.489 6.959) 17.014 16.134 ( -6.459 11.886 1.905) 13.662 16.564 ( 13.170 5.896 6.982) 16.030 17.293 ( -4.791 -5.498 1.832) 7.520 17.446 ( 7.147 20.995 -12.347) 25.383 18.527 ( -6.954 1.669 -15.313) 16.900 18.741 ( -1.177 -2.408 -3.408) 4.336 19.008 ( 5.906 3.398 1.646) 7.010 19.309 ( -0.163 -2.933 0.651) 3.009 19.459 ( 1.553 -0.099 -1.010) 1.855 ======================= Grid point 293 (56/136) ======================= q-point: ( 0.36 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.902 ( 2.383 6.257 -5.733) 8.814 2.014 ( 1.192 -1.840 0.782) 2.328 2.041 ( -2.331 -2.704 -1.905) 4.046 2.663 ( 0.577 9.659 11.456) 14.996 3.008 ( 2.889 16.741 6.635) 18.238 3.253 ( -11.273 -7.845 4.394) 14.420 5.305 ( 23.258 7.641 1.031) 24.503 5.574 ( -0.238 -9.400 -9.978) 13.710 6.068 ( -7.131 -18.137 4.068) 19.908 7.430 ( 1.821 5.518 -10.387) 11.902 7.551 ( -5.359 11.619 -1.418) 12.874 7.880 ( -1.570 -6.058 -4.296) 7.591 8.387 ( -11.670 1.616 2.691) 12.085 9.163 ( 9.597 -13.359 2.639) 16.659 10.359 ( -1.489 7.499 8.106) 11.143 14.400 ( 11.693 -4.706 0.974) 12.642 14.618 ( -6.909 -13.575 11.214) 18.914 14.890 ( 3.367 -10.270 1.740) 10.947 16.135 ( -8.597 14.805 2.075) 17.245 16.833 ( 11.441 3.009 4.308) 12.590 17.131 ( -5.593 -7.268 2.623) 9.539 17.726 ( -1.838 22.521 -11.274) 25.253 18.363 ( -8.095 -0.838 -9.542) 12.541 18.742 ( 2.412 -2.957 -9.098) 9.866 19.134 ( 5.430 0.744 4.364) 7.006 19.263 ( -3.304 0.062 -1.029) 3.461 19.478 ( 2.091 -2.521 -2.478) 4.107 ======================= Grid point 299 (57/136) ======================= q-point: (-0.09 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( -11.742 20.337 2.610) 23.628 1.292 ( -5.727 9.920 15.834) 19.543 2.158 ( -13.106 22.700 16.111) 30.767 2.730 ( -6.193 10.727 -15.696) 19.995 2.760 ( 0.810 -1.402 -1.838) 2.450 2.970 ( 5.624 -9.740 14.843) 18.623 3.973 ( -0.982 1.700 3.120) 3.686 5.803 ( 0.350 -0.606 -12.881) 12.900 6.156 ( -3.022 5.235 -9.675) 11.408 7.638 ( 4.788 -8.293 6.938) 11.825 8.593 ( 2.530 -4.382 -7.602) 9.132 8.617 ( 5.221 -9.044 3.078) 10.887 8.848 ( 2.227 -3.858 1.533) 4.711 9.004 ( 1.762 -3.051 -4.317) 5.573 9.568 ( -8.246 14.282 1.874) 16.597 14.973 ( 0.944 -1.636 -3.049) 3.587 15.070 ( -7.170 12.419 -26.987) 30.561 15.451 ( -6.047 10.473 -9.412) 15.324 15.501 ( -6.032 10.448 -5.556) 13.282 16.283 ( 2.399 -4.156 -3.901) 6.185 16.297 ( 1.962 -3.398 8.134) 9.031 17.503 ( -0.154 0.267 1.733) 1.761 18.547 ( 1.835 -3.179 1.175) 3.854 18.619 ( 4.917 -8.516 7.226) 12.203 18.846 ( 0.272 -0.470 -1.834) 1.913 19.285 ( -1.369 2.371 -1.960) 3.368 19.591 ( -5.534 9.585 2.182) 11.281 ======================= Grid point 303 (58/136) ======================= q-point: ( 0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( 3.298 5.712 -2.259) 6.972 1.986 ( 0.578 1.001 -0.135) 1.164 2.053 ( -2.193 -3.799 -5.646) 7.150 2.671 ( 4.511 7.813 15.925) 18.303 3.098 ( 3.801 6.583 3.216) 8.253 3.347 ( -1.312 -2.273 0.888) 2.770 5.113 ( 10.497 18.181 4.440) 21.458 5.522 ( -3.578 -6.198 -11.051) 13.166 6.039 ( -11.357 -19.671 4.831) 23.222 7.436 ( 1.633 2.828 -12.756) 13.167 7.663 ( 6.021 10.428 -3.157) 12.448 7.868 ( -2.254 -3.905 -2.020) 4.940 8.565 ( -6.640 -11.500 6.503) 14.786 8.943 ( -1.938 -3.357 -0.438) 3.900 10.411 ( 2.983 5.167 8.097) 10.058 14.270 ( 0.962 1.666 0.845) 2.102 14.621 ( -8.168 -14.148 15.254) 22.351 14.801 ( -2.844 -4.926 -0.529) 5.713 16.325 ( 3.679 6.373 -0.246) 7.363 16.707 ( 5.234 9.066 6.463) 12.303 17.144 ( -5.119 -8.867 2.458) 10.530 17.847 ( 10.750 18.620 -13.143) 25.200 18.533 ( -2.286 -3.960 -15.370) 16.036 18.605 ( -3.868 -6.699 -2.497) 8.129 19.095 ( 2.289 3.964 3.761) 5.924 19.299 ( 0.734 1.272 -1.756) 2.289 19.442 ( -0.864 -1.497 -0.647) 1.845 ======================= Grid point 304 (59/136) ======================= q-point: ( 0.36 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( 0.265 -0.459 -1.286) 1.391 1.991 ( -1.026 1.777 -6.468) 6.785 2.010 ( 0.444 -0.769 -1.664) 1.886 2.815 ( -3.832 6.637 13.622) 15.630 3.029 ( 4.113 -7.123 7.220) 10.944 3.405 ( -6.571 11.381 -1.092) 13.187 5.423 ( 1.525 -2.641 -14.513) 14.830 5.431 ( -2.097 3.632 7.182) 8.317 5.726 ( 7.815 -13.536 6.548) 16.947 7.507 ( -2.399 4.156 -12.734) 13.608 7.648 ( 2.383 -4.127 -13.003) 13.849 7.999 ( -8.735 15.129 7.334) 18.947 8.352 ( 3.359 -5.819 5.517) 8.694 8.924 ( 4.716 -8.168 0.222) 9.434 10.462 ( -1.571 2.720 8.236) 8.814 14.338 ( 0.935 -1.620 5.326) 5.645 14.426 ( 2.971 -5.146 12.908) 14.210 14.754 ( 2.019 -3.497 -0.365) 4.055 16.384 ( -4.895 8.479 -0.184) 9.793 16.866 ( -0.313 0.543 4.565) 4.608 16.992 ( 3.042 -5.268 3.616) 7.077 18.102 ( -7.542 13.062 -15.128) 21.362 18.379 ( -2.333 4.041 -7.870) 9.150 18.579 ( 6.876 -11.909 -7.973) 15.895 19.135 ( -0.060 0.104 4.978) 4.979 19.323 ( -2.310 4.000 -2.045) 5.052 19.418 ( 1.902 -3.294 -1.326) 4.028 ======================= Grid point 310 (60/136) ======================= q-point: (-0.18 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( -14.226 16.892 1.631) 22.144 1.479 ( -6.226 8.653 10.614) 15.043 2.341 ( 2.853 -0.224 -1.502) 3.232 2.663 ( 8.033 -3.617 7.970) 11.880 2.687 ( 2.219 3.089 6.613) 7.629 3.437 ( -30.773 27.615 2.310) 41.412 3.984 ( 1.546 1.134 2.231) 2.942 5.824 ( -2.107 1.147 -11.767) 12.009 6.251 ( -3.405 2.618 -8.241) 9.293 7.448 ( 7.669 -7.608 6.098) 12.405 8.348 ( 9.860 -17.644 -3.393) 20.495 8.434 ( 8.850 -3.262 -5.863) 11.106 8.696 ( 14.504 2.645 0.103) 14.744 9.061 ( -13.243 -10.643 0.442) 16.996 9.822 ( -6.471 11.294 4.697) 13.838 14.898 ( 5.773 2.889 -2.838) 7.052 15.277 ( 0.115 14.512 -18.167) 23.252 15.671 ( 1.167 11.050 -4.492) 11.985 15.772 ( -22.254 0.782 -9.827) 24.340 16.114 ( 8.359 -0.716 9.535) 12.700 16.277 ( -5.744 -11.825 6.090) 14.489 17.487 ( 1.629 -1.519 0.214) 2.237 18.442 ( 3.548 -3.480 0.039) 4.970 18.540 ( 0.010 -5.636 -2.626) 6.217 18.870 ( -2.618 1.953 -2.664) 4.215 19.340 ( -2.421 1.719 -1.756) 3.449 19.711 ( 0.102 6.017 0.362) 6.028 ======================= Grid point 322 (61/136) ======================= q-point: (-0.27 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( -4.214 7.332 1.186) 8.539 1.746 ( -10.277 10.723 1.601) 14.939 2.240 ( 4.383 -1.141 0.373) 4.545 2.512 ( 9.675 3.148 4.619) 11.173 2.756 ( -4.927 5.879 12.287) 14.485 3.864 ( 7.964 1.037 3.349) 8.701 4.324 ( -34.839 23.753 2.585) 42.245 5.881 ( -1.930 2.499 -9.749) 10.248 6.323 ( -3.684 -0.488 -6.634) 7.604 7.242 ( 8.604 -5.435 3.955) 10.918 7.961 ( 13.845 -17.776 -4.671) 23.011 8.260 ( 6.946 -3.906 -5.290) 9.565 8.458 ( 15.170 2.223 -1.399) 15.396 9.179 ( -12.915 -11.535 2.438) 17.487 10.012 ( -4.138 8.723 7.048) 11.953 14.838 ( 4.173 1.948 1.385) 4.809 15.380 ( 2.533 9.811 -9.465) 13.866 15.631 ( 11.671 9.612 4.431) 15.756 15.992 ( 9.057 7.423 3.518) 12.227 16.153 ( -21.704 -9.543 -4.142) 24.069 16.352 ( -14.597 -3.877 3.157) 15.430 17.409 ( 4.290 -4.194 -1.073) 6.095 18.368 ( -1.959 -9.125 0.468) 9.344 18.479 ( 2.576 -1.711 -9.650) 10.134 18.969 ( -4.494 4.704 -3.559) 7.416 19.391 ( -1.769 0.537 -1.380) 2.307 19.728 ( 2.953 3.943 -0.473) 4.949 ======================= Grid point 323 (62/136) ======================= q-point: (-0.18 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( -4.175 7.232 2.271) 8.654 1.714 ( -8.707 15.082 -0.144) 17.415 2.275 ( 2.162 -3.745 0.306) 4.335 2.679 ( -0.257 0.446 3.875) 3.909 2.693 ( -2.224 3.852 12.287) 13.067 3.965 ( 1.838 -3.183 2.373) 4.375 4.098 ( -20.829 36.076 4.681) 41.920 5.872 ( -1.877 3.250 -9.446) 10.164 6.288 ( -0.674 1.167 -6.980) 7.109 7.293 ( 4.493 -7.782 3.323) 9.581 7.976 ( 11.275 -19.529 -4.697) 23.035 8.311 ( 4.228 -7.324 -6.905) 10.918 8.779 ( 1.391 -2.410 6.295) 6.883 8.833 ( 3.198 -5.539 -3.696) 7.387 10.024 ( -5.207 9.019 6.837) 12.458 14.874 ( 1.601 -2.773 0.548) 3.249 15.556 ( -2.765 4.789 -8.671) 10.284 15.792 ( -1.681 2.911 -1.420) 3.649 15.867 ( -4.464 7.732 4.264) 9.894 16.127 ( -2.603 4.508 0.478) 5.228 16.131 ( -0.030 0.053 1.322) 1.324 17.425 ( 2.848 -4.934 -1.206) 5.823 18.301 ( 3.826 -6.627 1.466) 7.791 18.494 ( 1.628 -2.821 -8.688) 9.278 18.954 ( -3.518 6.093 -3.776) 7.985 19.376 ( -1.011 1.751 -1.842) 2.735 19.774 ( -0.470 0.815 -0.175) 0.957 ======================= Grid point 334 (63/136) ======================= q-point: (-0.36 0.45 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( -1.517 1.413 -6.523) 6.845 1.946 ( -5.132 3.950 2.489) 6.938 2.205 ( 1.675 3.214 2.882) 4.630 2.393 ( 10.233 7.599 4.627) 13.560 2.981 ( -10.387 12.458 12.976) 20.771 3.649 ( 15.221 -2.374 6.082) 16.563 5.126 ( -32.380 17.719 1.212) 36.931 5.914 ( 1.300 1.096 -7.224) 7.422 6.350 ( -0.607 -3.247 -4.432) 5.527 7.054 ( 7.942 -3.068 0.828) 8.554 7.579 ( 10.285 -13.760 -5.675) 18.092 8.139 ( 3.928 -0.785 -4.485) 6.014 8.247 ( 11.309 2.071 -1.997) 11.669 9.266 ( -10.938 -12.711 3.142) 17.061 10.133 ( -1.096 6.542 8.339) 10.656 14.792 ( 3.067 1.422 7.657) 8.370 15.344 ( 2.574 -4.570 9.486) 10.839 15.622 ( 7.921 21.874 -7.550) 24.458 15.878 ( 13.706 10.937 0.934) 17.560 16.344 ( -16.866 -17.075 0.601) 24.007 16.650 ( -16.713 3.442 -0.166) 17.064 17.259 ( 6.665 -6.930 -1.904) 9.801 18.325 ( -1.516 -5.742 -4.381) 7.380 18.427 ( -0.876 -5.462 -8.779) 10.376 19.097 ( -4.021 5.243 -4.094) 7.772 19.397 ( 1.075 -0.597 -0.316) 1.269 19.711 ( 2.427 2.887 -1.363) 4.010 ======================= Grid point 335 (64/136) ======================= q-point: (-0.27 0.45 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( -0.904 2.490 -4.857) 5.532 1.916 ( -3.368 4.415 0.803) 5.610 2.250 ( 0.214 2.169 2.936) 3.657 2.668 ( 7.788 13.479 5.071) 16.373 2.887 ( -12.531 7.092 10.198) 17.645 3.835 ( 9.078 -4.271 4.022) 10.809 4.810 ( -25.873 24.571 5.459) 36.096 5.924 ( -0.718 1.129 -5.782) 5.935 6.303 ( -1.175 -1.116 -5.792) 6.014 7.147 ( 5.665 -4.083 -1.290) 7.101 7.595 ( 10.458 -17.932 -6.381) 21.717 8.192 ( 3.264 -2.245 -4.541) 6.026 8.532 ( 17.843 4.135 0.360) 18.320 8.907 ( -13.662 -15.318 1.924) 20.615 10.173 ( -2.733 7.243 8.125) 11.223 14.822 ( 1.440 -2.128 1.446) 2.949 15.440 ( 10.501 -1.407 18.766) 21.551 15.829 ( -5.327 -8.676 9.968) 14.248 16.017 ( 2.325 15.395 -6.003) 16.687 16.194 ( 0.340 10.677 -12.477) 16.425 16.378 ( -17.604 4.072 -2.161) 18.198 17.290 ( 5.527 -7.991 -2.325) 9.991 18.217 ( -1.208 -5.714 -2.439) 6.329 18.413 ( 3.005 -4.915 -9.185) 10.842 19.088 ( -4.113 6.824 -3.801) 8.828 19.400 ( -0.266 0.282 -1.841) 1.882 19.762 ( 1.701 -0.164 -0.031) 1.709 ======================= Grid point 344 (65/136) ======================= q-point: (-0.45 0.55 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( -0.519 -0.899 -8.257) 8.322 2.011 ( -1.195 -2.070 3.159) 3.961 2.211 ( 2.225 3.854 2.389) 5.050 2.335 ( 7.600 13.164 5.015) 16.006 3.296 ( 4.682 8.110 18.037) 20.323 3.346 ( 1.796 3.110 2.290) 4.260 5.627 ( -3.102 -5.373 -0.553) 6.229 5.832 ( 1.163 2.014 -4.464) 5.034 6.304 ( 0.168 0.291 -3.411) 3.428 6.959 ( 0.477 0.826 -0.495) 1.074 7.413 ( -3.032 -5.252 -7.210) 9.422 8.118 ( 2.667 4.620 -1.683) 5.594 8.138 ( 1.700 2.945 -4.237) 5.433 9.297 ( -8.260 -14.307 3.320) 16.850 10.175 ( 2.527 4.377 8.731) 10.089 14.770 ( 1.270 2.200 11.167) 11.452 15.292 ( -2.268 -3.928 12.409) 13.212 15.704 ( 11.990 20.768 -14.756) 28.157 15.778 ( 8.705 15.078 4.197) 17.909 16.404 ( -11.602 -20.095 2.944) 23.390 16.873 ( -2.196 -3.803 -0.351) 4.406 17.108 ( -1.799 -3.116 -2.459) 4.358 18.309 ( -0.738 -1.279 -8.676) 8.801 18.407 ( -4.875 -8.443 -6.179) 11.543 19.171 ( 1.309 2.267 -4.829) 5.493 19.371 ( 0.315 0.546 0.946) 1.137 19.706 ( 1.428 2.473 -1.829) 3.391 ======================= Grid point 346 (66/136) ======================= q-point: (-0.36 0.55 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( 0.573 1.343 -6.144) 6.315 1.957 ( -1.781 -2.501 1.773) 3.546 2.275 ( 0.828 3.331 2.125) 4.037 2.673 ( 10.733 19.166 4.657) 22.454 3.224 ( -14.783 11.043 8.533) 20.329 3.575 ( 15.087 -5.606 6.885) 17.505 5.405 ( -19.920 10.550 4.929) 23.074 5.882 ( 4.190 -4.377 -1.011) 6.143 6.302 ( -0.115 -1.257 -5.145) 5.298 7.028 ( 5.096 0.461 -5.656) 7.627 7.326 ( 2.406 -10.878 -8.416) 13.962 8.177 ( -0.325 4.918 -2.094) 5.355 8.301 ( 12.493 2.776 -0.862) 12.827 8.964 ( -11.528 -16.904 2.393) 20.600 10.255 ( 0.582 5.268 8.680) 10.170 14.788 ( 0.431 -1.176 3.181) 3.418 15.291 ( 4.850 0.076 23.323) 23.822 15.826 ( -6.388 -11.487 13.806) 19.062 16.087 ( 7.588 16.620 0.266) 18.272 16.274 ( 4.193 11.827 -21.868) 25.212 16.707 ( -14.722 2.210 -1.658) 14.979 17.091 ( 6.089 -9.812 -2.914) 11.909 18.227 ( -5.308 -3.929 -6.089) 8.983 18.309 ( 2.287 -6.169 -8.722) 10.925 19.208 ( -1.749 5.631 -3.920) 7.081 19.385 ( 1.312 -0.624 -1.284) 1.939 19.734 ( 0.865 -0.267 0.117) 0.913 ======================= Grid point 347 (67/136) ======================= q-point: (-0.27 0.55 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( -0.922 1.596 -4.843) 5.182 1.923 ( 1.303 -2.257 0.652) 2.687 2.299 ( -1.266 2.193 2.082) 3.278 3.012 ( -7.945 13.761 0.701) 15.905 3.013 ( -6.238 10.805 11.853) 17.210 3.684 ( 6.387 -11.063 4.122) 13.423 5.270 ( -12.307 21.316 8.200) 25.943 5.893 ( 2.899 -5.021 0.412) 5.812 6.291 ( 0.063 -0.109 -5.846) 5.848 7.084 ( 1.272 -2.204 -7.311) 7.741 7.290 ( 6.920 -11.986 -9.320) 16.686 8.200 ( -2.081 3.605 -1.803) 4.536 8.590 ( 3.704 -6.416 -2.847) 7.937 8.612 ( 3.448 -5.973 5.005) 8.521 10.287 ( -2.345 4.061 8.622) 9.814 14.782 ( 0.929 -1.609 0.239) 1.874 15.390 ( 1.736 -3.007 27.855) 28.070 15.628 ( 4.181 -7.242 18.286) 20.107 16.335 ( -3.678 6.370 -0.592) 7.379 16.381 ( -6.799 11.776 -23.421) 27.082 16.517 ( -6.360 11.015 -5.038) 13.681 17.096 ( 6.554 -11.352 -3.141) 13.479 18.152 ( 0.423 -0.732 -5.484) 5.548 18.300 ( 3.468 -6.007 -9.083) 11.429 19.221 ( -3.586 6.212 -3.347) 7.915 19.395 ( 0.556 -0.963 -2.304) 2.558 19.738 ( 0.954 -1.652 0.964) 2.138 ======================= Grid point 358 (68/136) ======================= q-point: (-0.36 0.64 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( 1.652 2.862 -3.506) 4.818 1.885 ( -2.218 -3.842 -0.185) 4.441 2.322 ( 0.736 1.275 1.469) 2.080 3.064 ( 10.755 18.629 6.146) 22.371 3.347 ( -2.479 -4.294 7.506) 8.996 3.441 ( -1.905 -3.299 2.106) 4.352 5.563 ( 3.348 5.799 8.061) 10.480 5.768 ( -3.305 -5.724 5.111) 8.355 6.291 ( -0.071 -0.123 -5.929) 5.930 7.063 ( 1.531 2.652 -10.448) 10.888 7.163 ( -3.229 -5.592 -11.009) 12.763 8.341 ( 3.498 6.059 -3.220) 7.702 8.343 ( 3.946 6.835 3.004) 8.444 8.628 ( -9.491 -16.440 1.707) 19.060 10.328 ( 1.124 1.948 8.750) 9.035 14.765 ( -0.450 -0.780 0.022) 0.901 15.352 ( 3.335 5.777 27.363) 28.164 15.561 ( -6.776 -11.736 23.262) 26.922 16.380 ( 6.140 10.635 -0.618) 12.295 16.500 ( 4.208 7.288 -27.430) 28.692 16.731 ( 0.016 0.027 -2.389) 2.389 16.901 ( -4.308 -7.461 -3.354) 9.245 18.172 ( -0.943 -1.633 -7.341) 7.580 18.211 ( -1.671 -2.895 -8.560) 9.189 19.302 ( 1.990 3.446 -3.361) 5.209 19.369 ( -0.616 -1.067 -2.349) 2.653 19.718 ( -0.447 -0.775 1.540) 1.781 ======================= Grid point 399 (69/136) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.713 ( 0.000 0.000 7.404) 7.404 0.713 ( 0.000 0.000 7.404) 7.404 2.204 ( 0.000 0.000 29.638) 29.638 2.430 ( 0.000 0.000 -11.798) 11.798 2.430 ( 0.000 0.000 -11.798) 11.798 3.498 ( 0.000 0.000 -1.918) 1.918 4.045 ( 0.000 0.000 5.375) 5.375 5.674 ( 0.000 0.000 -10.979) 10.979 5.674 ( 0.000 0.000 -10.979) 10.979 7.998 ( 0.000 0.000 9.264) 9.264 8.751 ( 0.000 0.000 6.671) 6.671 8.751 ( 0.000 0.000 6.671) 6.671 8.921 ( 0.000 0.000 -8.601) 8.601 9.074 ( 0.000 0.000 -1.831) 1.831 9.074 ( 0.000 0.000 -1.831) 1.831 14.459 ( 0.000 -0.000 -19.031) 19.031 14.459 ( 0.000 0.000 -19.031) 19.031 15.191 ( 0.000 -0.000 -1.751) 1.751 15.191 ( 0.000 0.000 -1.751) 1.751 16.246 ( 0.000 0.000 -2.415) 2.415 16.246 ( 0.000 0.000 -2.415) 2.415 17.561 ( 0.000 0.000 3.812) 3.812 18.762 ( 0.000 0.000 -2.013) 2.013 19.071 ( 0.000 -0.000 7.023) 7.023 19.071 ( -0.000 0.000 7.023) 7.023 19.175 ( 0.000 0.000 -2.602) 2.602 19.376 ( 0.000 0.000 12.994) 12.994 ======================= Grid point 400 (70/136) ======================= q-point: ( 0.09 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( 7.272 21.865 6.434) 23.924 1.206 ( 32.087 5.637 8.118) 33.574 2.270 ( 2.427 -1.598 2.290) 3.700 2.298 ( 4.144 -1.695 11.677) 12.506 2.617 ( 6.395 7.884 -11.815) 15.577 3.352 ( -10.357 -5.991 2.390) 12.201 4.038 ( -0.413 -0.931 4.740) 4.849 5.603 ( -2.219 0.715 -9.983) 10.251 5.812 ( 7.085 3.266 -11.938) 14.261 7.927 ( -5.951 -3.328 9.233) 11.477 8.573 ( -7.393 -6.668 1.251) 10.034 8.734 ( -1.459 -10.802 -1.062) 10.952 8.937 ( -11.820 2.512 -2.973) 12.445 9.071 ( 2.758 15.157 0.839) 15.429 9.282 ( 18.250 0.296 0.161) 18.253 14.337 ( 3.648 -10.133 -16.909) 20.048 14.789 ( 12.707 20.310 -20.088) 31.265 15.193 ( 0.025 2.811 -3.249) 4.297 15.270 ( 7.398 0.578 -2.222) 7.746 16.206 ( -0.245 -5.257 -1.368) 5.438 16.345 ( 5.045 8.277 -2.034) 9.904 17.560 ( -0.155 -0.148 3.478) 3.485 18.707 ( -5.218 -8.280 3.830) 10.510 18.879 ( -6.114 -5.832 4.336) 9.497 19.035 ( -9.587 5.633 5.600) 12.450 19.214 ( 1.845 2.919 -1.259) 3.675 19.492 ( 8.772 -0.839 7.591) 11.631 ======================= Grid point 401 (71/136) ======================= q-point: ( 0.18 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( 11.969 19.052 4.373) 22.921 1.614 ( 9.531 3.773 13.279) 16.775 2.207 ( 1.351 -6.183 -9.960) 11.800 2.567 ( 12.192 -2.140 7.111) 14.276 2.765 ( 6.078 -0.381 -0.746) 6.135 3.269 ( 8.626 12.553 6.743) 16.657 4.010 ( -0.670 -2.848 3.289) 4.402 5.603 ( 0.542 1.666 -8.771) 8.944 5.966 ( 6.352 4.323 -12.195) 14.413 7.746 ( -9.797 -5.167 8.930) 14.227 8.354 ( -7.922 -11.861 -1.993) 14.402 8.566 ( -4.694 -11.450 -3.205) 12.783 8.705 ( -18.259 3.292 -3.655) 18.910 9.239 ( 3.504 9.072 2.338) 10.002 9.645 ( 17.573 6.465 2.423) 18.880 14.361 ( 11.426 -11.811 -12.566) 20.687 15.116 ( -0.004 11.341 -4.316) 12.134 15.338 ( 11.361 7.528 -12.976) 18.818 15.449 ( 11.139 9.696 -10.068) 17.873 16.150 ( 0.014 -4.137 0.121) 4.139 16.542 ( 5.545 10.119 3.071) 11.940 17.545 ( -1.345 -0.843 2.784) 3.204 18.435 ( -8.435 -13.763 5.812) 17.156 18.817 ( -2.875 0.725 -1.299) 3.237 18.904 ( -10.322 5.467 4.536) 12.530 19.282 ( 2.349 3.231 -1.110) 4.146 19.593 ( 6.004 -4.647 2.926) 8.136 ======================= Grid point 402 (72/136) ======================= q-point: ( 0.27 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( 5.426 6.242 0.008) 8.270 1.764 ( 4.533 11.339 9.643) 15.560 2.198 ( 2.760 -3.718 -2.300) 5.170 2.498 ( -3.466 -10.660 -2.562) 11.498 2.894 ( 8.164 -0.513 11.685) 14.263 3.825 ( 17.037 9.381 4.121) 19.881 4.016 ( 14.982 7.571 2.508) 16.973 5.643 ( 2.983 -0.197 -7.314) 7.901 6.113 ( 4.939 5.971 -11.712) 14.044 7.507 ( -11.785 -5.157 7.725) 15.005 8.064 ( -9.997 -15.548 -2.240) 18.620 8.349 ( -6.750 -13.943 -5.968) 16.601 8.417 ( -18.929 6.510 -2.634) 20.190 9.379 ( 3.658 6.773 3.058) 8.283 9.966 ( 12.089 6.421 4.770) 14.496 14.485 ( 16.020 -10.996 -6.571) 20.512 15.158 ( -1.170 3.427 -1.243) 3.829 15.449 ( 3.995 -6.342 -1.656) 7.676 15.882 ( 12.621 23.285 -20.974) 33.785 16.140 ( 2.370 -2.186 3.578) 4.816 16.683 ( -0.737 10.053 11.445) 15.251 17.490 ( -3.705 -1.879 2.285) 4.741 18.239 ( -1.390 -7.806 -6.654) 10.351 18.682 ( -12.126 2.826 3.282) 12.876 18.885 ( 0.744 3.393 -1.087) 3.640 19.352 ( 2.017 2.943 -1.350) 3.814 19.612 ( 3.068 -6.700 0.403) 7.380 ======================= Grid point 403 (73/136) ======================= q-point: ( 0.36 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( -0.699 1.999 -5.369) 5.772 1.972 ( 4.234 10.263 5.470) 12.377 2.203 ( 1.551 -3.239 2.535) 4.396 2.376 ( 0.018 -7.104 0.677) 7.136 3.043 ( 9.231 1.798 11.596) 14.931 3.779 ( -4.403 -8.980 5.305) 11.322 4.750 ( 34.706 19.435 1.449) 39.804 5.689 ( 4.058 -3.310 -6.143) 8.072 6.240 ( 2.003 5.830 -10.074) 11.810 7.256 ( -11.833 -3.214 5.122) 13.289 7.714 ( -13.466 -13.453 -1.610) 19.103 8.097 ( -7.360 -8.459 -6.603) 13.012 8.208 ( -10.665 1.143 -2.457) 11.004 9.492 ( 2.252 5.589 3.467) 6.952 10.181 ( 6.841 4.439 6.574) 10.475 14.682 ( 17.868 -8.533 -0.070) 19.801 15.155 ( -0.125 -2.079 -0.459) 2.132 15.410 ( 1.470 -8.803 0.379) 8.933 16.031 ( -4.219 -5.066 10.301) 12.230 16.356 ( 8.776 21.094 -17.873) 29.008 16.776 ( 0.604 12.029 9.861) 15.566 17.378 ( -6.596 -2.698 2.457) 7.538 18.183 ( -0.961 -3.972 -14.117) 14.697 18.536 ( -8.209 5.241 2.218) 9.989 18.955 ( 3.374 3.100 -2.547) 5.242 19.397 ( 0.121 1.841 -1.314) 2.265 19.583 ( 2.231 -7.120 -1.036) 7.533 ======================= Grid point 404 (74/136) ======================= q-point: ( 0.45 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( -1.509 2.750 -8.263) 8.839 2.073 ( 1.240 1.310 2.100) 2.768 2.210 ( 2.417 -1.767 4.323) 5.259 2.332 ( -1.235 -0.758 4.481) 4.710 3.240 ( 10.297 1.022 5.778) 11.851 3.591 ( -4.836 -9.819 12.575) 16.671 5.436 ( 24.370 11.293 -1.269) 26.890 5.697 ( 0.921 -6.415 -4.926) 8.140 6.238 ( -5.114 -0.871 -6.780) 8.537 7.101 ( -5.804 5.216 3.332) 8.485 7.395 ( -9.336 -6.733 -4.064) 12.207 7.964 ( 0.457 -6.745 -4.190) 7.954 8.079 ( -5.567 1.981 -3.341) 6.788 9.558 ( -0.369 4.163 3.610) 5.522 10.288 ( 2.019 1.906 7.444) 7.945 14.904 ( 13.691 -3.418 5.987) 15.329 15.097 ( 1.764 -13.040 0.222) 13.160 15.358 ( 2.958 -8.254 1.365) 8.873 15.887 ( -4.049 -3.804 14.438) 15.471 16.630 ( -2.714 20.503 -19.417) 28.368 16.934 ( 3.949 9.021 5.827) 11.442 17.223 ( -7.655 -1.830 3.985) 8.822 18.109 ( -2.042 -2.722 -13.114) 13.549 18.504 ( -4.086 7.043 -0.865) 8.188 19.038 ( 2.258 2.010 -3.961) 4.983 19.391 ( -1.270 0.235 -0.061) 1.293 19.564 ( 3.060 -5.916 -2.470) 7.104 ======================= Grid point 411 (75/136) ======================= q-point: ( 0.09 0.09 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( 8.664 15.007 8.871) 19.468 1.409 ( 13.055 22.613 6.944) 27.018 2.159 ( -2.968 -5.141 -8.826) 10.637 2.408 ( 5.206 9.017 17.728) 20.560 2.737 ( -0.397 -0.687 -10.610) 10.639 3.279 ( 3.617 6.264 7.021) 10.080 4.000 ( -1.704 -2.951 4.221) 5.425 5.615 ( 0.162 0.280 -9.750) 9.755 5.927 ( 4.397 7.617 -12.114) 14.970 7.808 ( -4.749 -8.225 9.273) 13.274 8.345 ( -8.410 -14.567 2.960) 17.078 8.550 ( -5.332 -9.235 -8.209) 13.458 8.994 ( -0.329 -0.569 -2.954) 3.026 9.143 ( -0.779 -1.350 1.664) 2.280 9.531 ( 11.505 19.927 2.515) 23.147 14.196 ( -1.937 -3.355 -12.066) 12.673 15.210 ( -0.727 -1.259 -2.480) 2.874 15.240 ( 10.017 17.350 -11.382) 23.042 15.409 ( 10.244 17.742 -14.606) 25.161 16.120 ( -1.851 -3.206 0.272) 3.712 16.545 ( 6.587 11.408 -0.555) 13.185 17.551 ( -0.552 -0.956 3.084) 3.275 18.437 ( -8.941 -15.486 7.856) 19.531 18.841 ( -0.012 -0.022 -1.197) 1.197 19.056 ( -1.702 -2.947 1.418) 3.687 19.293 ( 2.153 3.730 -0.222) 4.312 19.478 ( -0.002 -0.003 6.657) 6.657 ======================= Grid point 412 (76/136) ======================= q-point: ( 0.18 0.09 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( 2.866 8.359 7.341) 11.488 1.836 ( 7.306 20.611 10.916) 24.441 2.107 ( 2.522 -2.606 -8.035) 8.815 2.463 ( -3.569 -9.615 -2.963) 10.675 2.727 ( 7.863 0.320 10.124) 12.823 3.676 ( 18.664 25.784 4.946) 32.212 3.926 ( -0.748 -5.339 3.628) 6.498 5.615 ( 0.150 -0.762 -8.558) 8.593 6.089 ( 5.360 7.604 -11.646) 14.905 7.623 ( -7.845 -6.416 8.909) 13.494 8.029 ( -8.518 -19.318 0.364) 21.116 8.345 ( -6.867 -11.104 -8.872) 15.785 8.833 ( -19.007 7.801 -1.878) 20.631 9.221 ( 12.184 -8.004 1.807) 14.689 9.900 ( 9.864 16.092 3.987) 19.291 14.201 ( 6.675 -4.326 -6.587) 10.328 15.161 ( -1.107 -4.382 -2.012) 4.947 15.416 ( 1.411 4.705 1.050) 5.023 15.893 ( 14.500 25.716 -22.481) 37.108 16.091 ( 1.102 -1.179 1.440) 2.163 16.754 ( 3.998 10.222 6.097) 12.556 17.515 ( -1.930 -2.245 2.604) 3.943 18.189 ( -3.621 -9.607 -3.189) 10.751 18.844 ( -2.327 2.102 -0.675) 3.208 18.950 ( -6.043 -1.098 0.445) 6.158 19.356 ( 1.201 3.767 -0.647) 4.006 19.485 ( 3.242 -5.488 3.927) 7.486 ======================= Grid point 413 (77/136) ======================= q-point: ( 0.27 0.09 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( -0.188 4.844 0.538) 4.877 2.038 ( 2.945 6.153 6.484) 9.411 2.178 ( -2.311 3.925 -0.618) 4.596 2.329 ( 0.821 0.256 -1.663) 1.872 2.899 ( 10.047 1.103 12.425) 16.017 3.771 ( -4.680 -7.566 4.199) 9.838 4.397 ( 29.512 22.910 3.473) 37.522 5.606 ( 1.391 -3.683 -6.987) 8.019 6.245 ( 4.073 6.331 -9.821) 12.374 7.419 ( -10.653 -3.326 6.090) 12.714 7.703 ( -6.257 -18.597 -0.771) 19.636 8.109 ( -7.112 -11.320 -8.296) 15.733 8.561 ( -20.690 7.581 -1.538) 22.089 9.351 ( 11.628 -7.992 2.159) 14.274 10.173 ( 5.372 12.682 5.620) 14.875 14.329 ( 13.186 -4.703 -0.613) 14.013 15.089 ( 0.135 -8.396 -0.561) 8.416 15.410 ( -3.740 -0.844 5.668) 6.843 16.074 ( -3.017 0.699 5.096) 5.963 16.372 ( 13.023 21.143 -16.536) 29.834 16.881 ( 0.782 9.966 6.596) 11.977 17.436 ( -4.036 -3.644 2.457) 5.967 18.133 ( 2.023 -2.485 -15.802) 16.123 18.727 ( -9.887 1.191 0.752) 9.987 18.942 ( 2.386 2.679 -1.594) 3.925 19.408 ( 1.077 2.425 -1.354) 2.979 19.469 ( 2.169 -6.955 2.326) 7.648 ======================= Grid point 414 (78/136) ======================= q-point: ( 0.36 0.09 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( -1.794 4.691 -6.004) 7.828 2.085 ( -2.155 -2.333 0.550) 3.223 2.136 ( 3.944 -2.787 4.627) 6.689 2.435 ( -2.766 15.368 2.673) 15.842 3.092 ( 9.729 3.464 11.710) 15.613 3.587 ( -6.177 -9.864 8.362) 14.331 5.097 ( 28.286 14.507 1.000) 31.805 5.593 ( 2.996 -6.081 -5.250) 8.574 6.297 ( -2.879 -1.718 -5.249) 6.228 7.229 ( -5.774 -0.657 -0.774) 5.862 7.468 ( -7.515 -7.442 -1.591) 10.696 7.916 ( -3.082 -7.774 -5.199) 9.847 8.307 ( -15.778 6.091 -1.849) 17.014 9.449 ( 9.256 -8.844 2.400) 13.025 10.335 ( 0.628 9.740 6.664) 11.818 14.545 ( 16.909 -4.877 4.264) 18.108 14.997 ( -0.263 -10.606 2.606) 10.925 15.297 ( -3.430 -7.593 9.960) 12.985 15.995 ( -7.470 4.288 7.682) 11.541 16.757 ( 10.017 16.162 -11.091) 22.013 17.008 ( -0.283 12.983 -3.790) 13.528 17.308 ( -5.843 -4.368 3.302) 8.008 18.118 ( -2.056 -2.216 -16.061) 16.343 18.618 ( -4.115 1.985 -2.226) 5.083 19.033 ( 2.926 4.922 -2.633) 6.302 19.407 ( -1.242 -3.037 1.959) 3.821 19.456 ( 2.799 -3.147 -1.831) 4.593 ======================= Grid point 415 (79/136) ======================= q-point: ( 0.45 0.09 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( -2.517 4.359 -8.388) 9.783 2.048 ( 1.164 -2.017 1.202) 2.621 2.162 ( 2.168 -3.756 4.514) 6.259 2.491 ( -8.524 14.764 3.657) 17.436 3.246 ( 0.619 -1.073 3.315) 3.539 3.429 ( 2.910 -5.040 18.020) 18.937 5.476 ( 4.911 -8.506 -4.919) 10.984 5.603 ( 1.343 -2.326 -0.611) 2.755 6.183 ( 1.800 -3.119 -0.982) 3.732 7.264 ( 2.522 -4.368 -8.457) 9.847 7.283 ( -5.824 10.088 0.150) 11.650 7.859 ( 1.615 -2.797 -2.195) 3.905 8.190 ( -4.853 8.405 -2.381) 9.994 9.485 ( 6.073 -10.519 2.462) 12.394 10.388 ( -4.046 7.008 6.999) 10.699 14.734 ( 7.543 -13.064 3.788) 15.553 14.887 ( 3.527 -6.109 8.751) 11.240 15.214 ( 4.414 -7.645 9.983) 13.326 15.948 ( -5.282 9.148 6.630) 12.471 17.005 ( -8.654 14.990 -23.362) 29.075 17.027 ( -0.269 0.467 6.045) 6.069 17.213 ( -1.307 2.264 3.723) 4.549 18.071 ( 0.332 -0.575 -13.625) 13.641 18.600 ( -1.229 2.129 -4.320) 4.971 19.095 ( -2.005 3.473 -3.817) 5.536 19.369 ( 1.660 -2.874 3.473) 4.804 19.467 ( 1.718 -2.975 -2.937) 4.520 ======================= Grid point 424 (80/136) ======================= q-point: ( 0.18 0.18 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( 2.893 5.010 5.292) 7.841 2.007 ( -0.440 -0.761 2.107) 2.283 2.254 ( -5.617 -9.729 -2.323) 11.472 2.363 ( 12.930 22.395 0.136) 25.860 2.777 ( 2.566 4.444 11.856) 12.918 3.781 ( -4.631 -8.022 4.196) 10.169 4.246 ( 17.125 29.661 4.865) 34.594 5.575 ( -1.772 -3.069 -7.211) 8.035 6.239 ( 3.944 6.832 -9.622) 12.442 7.522 ( -2.008 -3.478 7.576) 8.574 7.632 ( -11.391 -19.730 -1.809) 22.854 8.115 ( -6.848 -11.862 -9.010) 16.395 8.977 ( -0.431 -0.747 -3.538) 3.642 9.010 ( -3.205 -5.551 3.960) 7.535 10.197 ( 7.598 13.161 5.335) 16.106 14.187 ( 1.606 2.782 -0.141) 3.216 15.042 ( -3.811 -6.601 -1.515) 7.771 15.444 ( -1.954 -3.384 9.262) 10.052 16.114 ( 1.883 3.262 0.709) 3.832 16.357 ( 11.695 20.257 -13.972) 27.246 16.926 ( 4.574 7.922 4.558) 10.221 17.451 ( -2.504 -4.338 2.470) 5.584 18.098 ( 0.152 0.263 -16.679) 16.681 18.854 ( -4.195 -7.266 -1.921) 8.607 18.911 ( 2.296 3.976 -0.228) 4.597 19.402 ( -1.559 -2.701 4.311) 5.320 19.416 ( 1.195 2.070 -0.793) 2.518 ======================= Grid point 425 (81/136) ======================= q-point: ( 0.27 0.18 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.753 ( -0.919 5.635 -1.945) 6.031 2.018 ( 3.987 -2.959 1.198) 5.108 2.098 ( -3.276 -5.650 0.404) 6.543 2.692 ( -2.408 23.187 3.005) 23.504 2.945 ( 12.613 4.076 12.012) 17.888 3.603 ( -6.057 -8.878 6.123) 12.369 4.826 ( 20.980 19.821 3.892) 29.123 5.506 ( -0.437 -5.803 -4.806) 7.547 6.310 ( -0.948 -1.493 -4.150) 4.511 7.282 ( -7.757 -11.295 -5.721) 14.849 7.508 ( -0.805 0.943 1.304) 1.800 7.905 ( -4.480 -7.940 -5.502) 10.648 8.695 ( -21.434 5.226 0.221) 22.063 9.121 ( 14.377 -14.140 0.307) 20.167 10.407 ( 3.395 10.294 6.300) 12.538 14.303 ( 8.789 2.179 6.177) 10.961 14.920 ( -1.972 -7.847 -0.336) 8.098 15.288 ( -6.355 -11.493 17.116) 21.574 16.168 ( -3.035 7.976 1.381) 8.645 16.691 ( 10.322 10.397 -0.137) 14.651 17.119 ( 4.954 14.962 -12.784) 20.294 17.342 ( -4.261 -5.856 2.703) 7.730 18.135 ( 0.300 1.950 -20.315) 20.411 18.683 ( -5.837 -6.326 -3.739) 9.384 19.022 ( 4.309 5.944 -0.431) 7.354 19.362 ( 0.002 -3.552 4.054) 5.390 19.439 ( 0.017 0.419 -1.169) 1.242 ======================= Grid point 426 (82/136) ======================= q-point: ( 0.36 0.18 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.770 ( -2.630 4.878 -6.649) 8.656 2.019 ( -0.258 -2.808 0.530) 2.869 2.066 ( 3.829 -4.157 2.883) 6.344 2.815 ( -6.862 19.270 3.963) 20.836 3.184 ( 7.701 5.552 9.497) 13.429 3.414 ( -6.010 -6.765 10.690) 14.006 5.266 ( 12.536 0.725 -3.103) 12.935 5.508 ( 7.000 0.282 1.982) 7.281 6.146 ( -6.307 -12.641 2.966) 14.435 7.191 ( 2.068 -0.847 -11.241) 11.461 7.450 ( -5.522 -0.305 -8.327) 9.997 7.872 ( -0.120 6.368 2.911) 7.003 8.412 ( -14.243 4.013 -0.301) 14.801 9.195 ( 11.325 -15.689 0.477) 19.355 10.514 ( -1.281 7.631 6.760) 10.275 14.502 ( 10.692 0.737 10.253) 14.832 14.812 ( -1.991 -7.537 3.285) 8.459 15.073 ( -1.085 -13.480 18.195) 22.670 16.175 ( -6.909 11.696 1.693) 13.689 16.937 ( 9.839 3.954 4.732) 11.612 17.182 ( -6.165 -5.059 0.011) 7.975 17.345 ( -0.465 15.742 -21.095) 26.325 18.106 ( -4.061 1.197 -14.725) 15.321 18.578 ( 1.005 -6.298 -7.378) 9.753 19.151 ( 2.105 6.765 -1.957) 7.350 19.318 ( -0.874 -3.447 5.347) 6.422 19.435 ( 0.411 -1.285 -1.870) 2.306 ======================= Grid point 432 (83/136) ======================= q-point: (-0.09 0.18 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( -10.232 17.722 4.871) 21.035 1.581 ( -5.664 9.810 13.295) 17.467 2.290 ( 0.296 -0.513 -12.072) 12.087 2.632 ( -15.591 27.004 14.191) 34.259 2.672 ( -2.089 3.618 -6.833) 8.009 3.186 ( 3.781 -6.550 6.318) 9.854 4.038 ( 0.155 -0.268 3.127) 3.142 5.578 ( -0.350 0.606 -8.461) 8.490 5.924 ( -3.430 5.942 -12.300) 14.084 7.801 ( 5.134 -8.893 8.840) 13.550 8.468 ( 4.275 -7.404 -5.390) 10.106 8.611 ( 8.748 -15.152 -2.509) 17.675 8.921 ( 1.241 -2.150 -3.447) 4.248 8.936 ( -0.582 1.009 5.799) 5.915 9.609 ( -9.640 16.698 1.825) 19.367 14.584 ( -7.441 12.888 -18.380) 23.649 14.850 ( -3.844 6.658 -11.026) 13.442 15.221 ( -2.984 5.169 -9.888) 11.550 15.433 ( -5.696 9.866 -2.562) 11.677 16.213 ( 1.455 -2.519 -2.575) 3.885 16.416 ( -3.945 6.833 4.011) 8.851 17.552 ( 0.545 -0.944 2.858) 3.059 18.640 ( 5.729 -9.923 6.339) 13.095 18.786 ( 5.332 -9.236 8.293) 13.510 18.811 ( 1.541 -2.670 -1.562) 3.456 19.247 ( -1.527 2.645 -1.559) 3.429 19.643 ( -3.325 5.760 2.470) 7.095 ======================= Grid point 436 (84/136) ======================= q-point: ( 0.27 0.27 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( 1.523 2.637 -5.312) 6.123 1.971 ( -0.746 -1.291 -1.026) 1.810 2.021 ( -1.289 -2.233 2.688) 3.725 2.999 ( 4.248 7.358 15.279) 17.482 3.133 ( 7.449 12.902 -0.019) 14.898 3.440 ( -3.927 -6.802 7.779) 11.055 5.145 ( 5.747 9.954 -0.933) 11.531 5.439 ( 1.556 2.695 2.706) 4.124 6.138 ( -8.694 -15.058 4.221) 17.893 7.170 ( 0.489 0.847 -12.358) 12.397 7.487 ( -3.540 -6.132 -11.244) 13.287 7.917 ( 6.008 10.406 4.370) 12.785 8.674 ( -6.731 -11.659 3.999) 14.044 8.901 ( -1.866 -3.232 -3.605) 5.189 10.565 ( 3.144 5.446 6.676) 9.171 14.411 ( 4.870 8.435 12.654) 15.969 14.795 ( -2.749 -4.762 -0.100) 5.500 15.011 ( -8.579 -14.860 21.901) 27.822 16.319 ( 3.413 5.912 -0.321) 6.834 16.847 ( 4.238 7.341 6.149) 10.472 17.205 ( -4.538 -7.860 3.171) 9.614 17.431 ( 8.427 14.596 -25.468) 30.540 18.175 ( 0.756 1.309 -17.762) 17.826 18.510 ( -5.463 -9.462 -6.454) 12.689 19.161 ( 4.229 7.326 0.530) 8.476 19.319 ( -0.749 -1.298 4.385) 4.634 19.423 ( -1.113 -1.927 -1.318) 2.586 ======================= Grid point 437 (85/136) ======================= q-point: ( 0.36 0.27 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( -2.480 4.296 -5.703) 7.559 1.961 ( 2.247 -3.892 -2.546) 5.166 2.003 ( 0.687 -1.189 3.375) 3.644 3.096 ( -4.724 8.181 11.830) 15.140 3.228 ( 1.339 -2.319 11.187) 11.503 3.391 ( -2.116 3.664 0.656) 4.282 5.201 ( 1.969 -3.410 -6.402) 7.517 5.594 ( -3.487 6.039 8.292) 10.834 5.880 ( 6.629 -11.482 7.821) 15.393 7.228 ( -2.138 3.703 -13.782) 14.430 7.374 ( 3.022 -5.235 -13.560) 14.846 8.127 ( -8.326 14.422 5.411) 17.510 8.439 ( 1.253 -2.169 2.814) 3.768 8.896 ( 6.559 -11.360 -2.768) 13.406 10.619 ( -1.587 2.748 6.788) 7.493 14.568 ( -2.817 4.880 16.634) 17.562 14.716 ( 0.865 -1.498 4.446) 4.771 14.819 ( 6.356 -11.009 16.978) 21.209 16.378 ( -3.954 6.848 -0.381) 7.917 16.974 ( -0.244 0.423 5.580) 5.601 17.072 ( 2.333 -4.041 3.701) 5.956 17.602 ( -4.462 7.729 -30.846) 32.111 18.179 ( -3.622 6.273 -11.330) 13.448 18.398 ( 5.864 -10.156 -9.292) 14.962 19.279 ( -2.811 4.870 -2.319) 6.082 19.280 ( 0.052 -0.090 7.577) 7.578 19.389 ( 1.836 -3.180 -1.559) 3.989 ======================= Grid point 443 (86/136) ======================= q-point: (-0.18 0.27 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( -13.636 14.339 2.435) 19.937 1.665 ( -1.538 0.284 7.749) 7.906 2.268 ( 2.129 1.285 -4.920) 5.513 2.682 ( 5.712 3.122 -2.191) 6.868 2.907 ( -0.774 2.024 10.065) 10.296 3.536 ( -28.799 28.186 6.513) 40.819 4.021 ( 1.595 -0.091 1.360) 2.099 5.629 ( -2.957 3.282 -6.729) 8.049 6.033 ( -4.066 3.072 -12.405) 13.411 7.590 ( 8.452 -9.559 7.630) 14.867 8.254 ( 11.846 -12.991 -5.052) 18.292 8.324 ( 4.965 -12.846 -5.180) 14.714 8.694 ( 19.104 6.657 -0.365) 20.234 9.102 ( -15.513 -10.580 3.242) 19.055 9.918 ( -8.259 13.928 4.340) 16.764 14.751 ( 5.597 20.606 -10.491) 23.791 15.020 ( -10.143 -2.441 -5.076) 11.602 15.451 ( -16.979 5.750 -18.640) 25.861 15.627 ( -2.652 12.677 -2.983) 13.290 16.167 ( 0.253 -0.599 -0.418) 0.773 16.524 ( -4.141 -2.185 13.203) 14.008 17.513 ( 2.218 -2.724 2.177) 4.133 18.401 ( 10.058 -3.513 -1.614) 10.776 18.616 ( 3.155 -12.786 6.516) 14.693 18.824 ( -2.841 0.933 -1.725) 3.452 19.306 ( -2.568 1.754 -1.333) 3.383 19.709 ( 0.898 3.848 -0.606) 3.998 ======================= Grid point 455 (87/136) ======================= q-point: (-0.27 0.36 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( 1.157 2.437 -3.574) 4.477 1.806 ( -11.042 6.309 4.244) 13.407 2.255 ( 1.239 1.900 0.821) 2.412 2.576 ( 9.861 5.805 1.313) 11.518 2.998 ( -6.420 4.335 10.558) 13.095 3.926 ( 6.113 0.916 2.586) 6.700 4.387 ( -32.762 25.550 3.425) 41.688 5.725 ( -2.490 5.418 -5.145) 7.875 6.127 ( -5.218 -0.165 -11.940) 13.032 7.336 ( 9.914 -9.402 5.127) 14.594 7.873 ( 13.021 -18.730 -3.834) 23.131 8.148 ( 5.517 -5.230 -5.484) 9.374 8.429 ( 17.938 5.245 -1.163) 18.725 9.244 ( -13.782 -11.695 3.555) 18.422 10.156 ( -5.361 10.570 6.628) 13.579 14.843 ( 1.172 9.855 -0.484) 9.937 15.151 ( -2.778 8.841 -8.077) 12.293 15.668 ( 7.927 14.414 -1.037) 16.483 15.867 ( -20.287 -0.643 -16.673) 26.267 16.206 ( -0.211 3.309 4.383) 5.496 16.533 ( -7.382 -9.075 16.501) 20.227 17.416 ( 4.492 -5.377 1.909) 7.261 18.260 ( 4.743 -1.273 -10.908) 11.962 18.440 ( 2.140 -11.714 4.936) 12.890 18.907 ( -4.011 3.553 -2.300) 5.831 19.360 ( -2.122 0.407 -1.366) 2.556 19.701 ( 3.395 2.985 -2.011) 4.947 ======================= Grid point 456 (88/136) ======================= q-point: (-0.18 0.36 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( 0.412 -0.713 -0.656) 1.053 1.724 ( -8.286 14.351 1.233) 16.617 2.277 ( -0.177 0.306 -0.194) 0.403 2.737 ( -1.027 1.779 1.393) 2.482 2.929 ( -2.082 3.605 10.025) 10.855 3.993 ( 1.596 -2.765 0.430) 3.221 4.211 ( -21.138 36.612 6.003) 42.700 5.727 ( -3.540 6.131 -4.331) 8.299 6.080 ( -0.964 1.669 -12.738) 12.883 7.379 ( 6.672 -11.557 5.001) 14.251 7.874 ( 11.970 -20.733 -5.014) 24.460 8.179 ( 3.219 -5.576 -5.875) 8.716 8.777 ( 2.776 -4.808 -1.626) 5.785 8.901 ( 1.790 -3.100 5.422) 6.497 10.167 ( -6.393 11.073 6.688) 14.429 14.888 ( 1.277 -2.212 0.873) 2.699 15.237 ( -10.371 17.962 -13.083) 24.522 15.599 ( -5.867 10.162 -16.623) 20.347 15.906 ( -7.754 13.430 -1.746) 15.606 16.149 ( -0.426 0.738 0.418) 0.949 16.434 ( 3.995 -6.919 21.652) 23.079 17.428 ( 3.505 -6.070 1.707) 7.214 18.302 ( 3.314 -5.740 -10.072) 12.057 18.394 ( 5.626 -9.744 6.654) 13.072 18.890 ( -3.111 5.388 -2.260) 6.620 19.342 ( -0.971 1.682 -1.260) 2.315 19.747 ( -0.138 0.239 -2.367) 2.383 ======================= Grid point 467 (89/136) ======================= q-point: (-0.36 0.45 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( 1.246 0.935 -6.436) 6.622 2.003 ( -6.304 2.513 2.975) 7.410 2.256 ( 1.217 2.387 1.973) 3.328 2.481 ( 9.385 8.613 3.702) 13.265 3.203 ( -8.959 9.005 8.541) 15.307 3.777 ( 10.330 -1.423 5.994) 12.027 5.155 ( -28.697 19.763 1.603) 34.880 5.796 ( 1.097 5.173 -4.128) 6.709 6.192 ( -3.313 -3.545 -10.305) 11.390 7.087 ( 7.732 -8.149 2.403) 11.488 7.481 ( 10.739 -15.966 -3.723) 19.598 8.048 ( 3.092 0.824 -4.124) 5.220 8.204 ( 13.147 3.805 -1.971) 13.828 9.338 ( -11.456 -13.140 3.736) 17.829 10.306 ( -1.528 7.610 7.982) 11.134 14.900 ( -2.663 -1.010 3.775) 4.729 15.309 ( 0.333 18.561 -6.791) 19.767 15.621 ( 12.308 13.711 3.488) 18.752 16.032 ( 6.471 1.268 8.550) 10.798 16.246 ( -13.413 -7.788 -9.241) 18.054 16.697 ( -15.633 -2.170 6.227) 16.967 17.255 ( 6.175 -8.261 2.274) 10.562 18.160 ( 4.321 -3.172 -12.207) 13.332 18.352 ( -3.499 -8.872 1.308) 9.626 19.016 ( -3.178 4.806 -3.425) 6.703 19.378 ( -0.355 -1.090 -1.205) 1.663 19.670 ( 3.334 3.171 -2.574) 5.272 ======================= Grid point 468 (90/136) ======================= q-point: (-0.27 0.45 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( 1.311 1.699 -4.080) 4.610 1.934 ( -4.928 4.072 1.022) 6.474 2.288 ( 0.088 1.645 0.815) 1.838 2.751 ( 6.909 12.535 3.134) 14.652 3.096 ( -11.295 5.672 9.318) 15.703 3.894 ( 6.131 -4.205 1.749) 7.637 4.922 ( -23.739 27.267 5.148) 36.517 5.842 ( -1.947 5.847 -2.027) 6.487 6.107 ( -2.373 -1.592 -12.665) 12.983 7.145 ( 7.964 -9.589 1.243) 12.526 7.473 ( 10.491 -19.996 -5.501) 23.242 8.104 ( 1.947 0.184 -3.883) 4.347 8.533 ( 18.806 4.646 0.145) 19.372 8.966 ( -13.810 -15.543 3.358) 21.062 10.348 ( -3.366 8.401 8.321) 12.294 14.845 ( -0.026 -3.555 1.035) 3.702 15.511 ( -0.069 20.708 -7.455) 22.009 15.853 ( -15.749 0.180 -10.565) 18.965 15.993 ( 12.819 16.356 3.962) 21.155 16.245 ( 5.660 -1.281 9.905) 11.480 16.371 ( -18.151 -4.375 6.939) 19.918 17.270 ( 5.880 -9.499 1.378) 11.256 18.191 ( 4.074 -5.084 -11.322) 13.063 18.238 ( 0.912 -8.652 2.492) 9.050 19.016 ( -3.827 6.827 -2.918) 8.353 19.364 ( -0.432 -0.064 -1.396) 1.463 19.732 ( 1.718 0.271 -2.705) 3.216 ======================= Grid point 477 (91/136) ======================= q-point: (-0.45 0.55 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( 0.681 1.180 -6.967) 7.099 2.070 ( -1.275 -2.208 2.306) 3.438 2.258 ( 1.266 2.193 2.142) 3.317 2.439 ( 6.961 12.056 4.858) 14.745 3.390 ( 2.908 5.036 1.986) 6.145 3.619 ( 1.494 2.588 13.070) 13.407 5.614 ( -0.516 -0.893 -0.749) 1.275 5.766 ( 3.262 5.650 -1.821) 6.774 6.168 ( -1.593 -2.759 -9.566) 10.083 6.973 ( -2.382 -4.125 1.948) 5.146 7.286 ( -3.433 -5.946 -4.963) 8.472 8.060 ( 2.085 3.611 -3.000) 5.137 8.074 ( 3.935 6.815 -2.647) 8.303 9.372 ( -8.586 -14.872 3.784) 17.585 10.357 ( 2.835 4.911 8.402) 10.137 14.917 ( -2.890 -5.005 4.155) 7.118 15.450 ( 11.599 20.089 -7.403) 24.350 15.546 ( 6.720 11.640 8.817) 16.074 15.939 ( 3.914 6.779 12.269) 14.554 16.345 ( -8.602 -14.900 -11.533) 20.712 16.885 ( -3.358 -5.817 2.277) 7.092 17.105 ( -2.858 -4.950 3.588) 6.748 18.098 ( -0.396 -0.686 -11.849) 11.876 18.345 ( -5.005 -8.668 -0.384) 10.017 19.076 ( 1.557 2.697 -4.132) 5.175 19.368 ( -0.571 -0.989 -0.756) 1.370 19.657 ( 2.126 3.682 -2.810) 5.097 ======================= Grid point 479 (92/136) ======================= q-point: (-0.36 0.55 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( 1.916 3.864 -4.477) 6.216 1.995 ( -3.057 -3.597 1.741) 5.032 2.299 ( 0.812 1.995 0.276) 2.172 2.757 ( 10.372 18.489 3.585) 21.500 3.378 ( -11.695 8.033 6.324) 15.534 3.702 ( 9.192 -6.593 5.299) 12.491 5.501 ( -16.307 14.628 4.119) 22.290 5.875 ( 3.443 2.308 0.190) 4.150 6.115 ( -1.102 -3.621 -12.175) 12.750 6.950 ( 4.384 -5.252 -1.729) 7.056 7.177 ( 2.461 -13.584 -6.116) 15.099 8.129 ( -0.684 7.101 -1.985) 7.405 8.287 ( 14.030 4.060 -0.598) 14.618 9.025 ( -12.034 -17.695 3.202) 21.638 10.444 ( 0.505 5.810 9.072) 10.785 14.822 ( -1.840 -4.372 0.827) 4.815 15.696 ( -0.374 17.017 5.071) 17.760 15.878 ( 14.832 10.108 5.344) 18.727 16.065 ( -9.816 -4.552 -4.662) 11.782 16.132 ( 7.023 5.782 3.479) 9.740 16.680 ( -15.900 -0.112 0.382) 15.905 17.053 ( 5.751 -11.892 1.081) 13.253 18.086 ( 1.661 -3.577 -10.240) 10.973 18.184 ( -3.320 -7.967 -1.176) 8.711 19.129 ( -0.913 6.056 -3.437) 7.023 19.354 ( 0.318 -1.322 -1.394) 1.947 19.708 ( 1.319 0.837 -2.478) 2.929 ======================= Grid point 480 (93/136) ======================= q-point: (-0.27 0.55 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( -1.923 3.331 -2.878) 4.804 1.938 ( 1.572 -2.724 0.654) 3.212 2.317 ( -0.654 1.132 -0.282) 1.338 3.031 ( -7.226 12.516 1.117) 14.496 3.231 ( -5.469 9.473 9.220) 14.306 3.754 ( 5.821 -10.082 2.625) 11.934 5.424 ( -12.991 22.501 6.397) 26.758 5.919 ( -0.431 0.747 2.338) 2.492 6.079 ( 0.488 -0.845 -14.176) 14.209 6.974 ( 4.124 -7.143 -3.077) 8.804 7.123 ( 8.208 -14.217 -7.010) 17.850 8.160 ( -3.273 5.669 -1.691) 6.760 8.566 ( 3.222 -5.581 0.298) 6.451 8.694 ( 4.102 -7.105 3.028) 8.745 10.478 ( -2.629 4.553 9.293) 10.677 14.783 ( 1.339 -2.320 -0.056) 2.679 15.849 ( -5.680 9.838 3.922) 12.018 15.868 ( -2.059 3.567 2.738) 4.946 16.096 ( 2.778 -4.812 10.254) 11.663 16.312 ( -3.550 6.150 -1.301) 7.219 16.433 ( -6.735 11.666 -4.557) 14.220 17.045 ( 7.475 -12.947 0.004) 14.950 18.095 ( 2.679 -4.641 -0.326) 5.369 18.098 ( 2.639 -4.571 -10.632) 11.870 19.153 ( -3.723 6.449 -2.955) 8.012 19.351 ( 0.805 -1.394 -1.750) 2.378 19.723 ( 0.463 -0.803 -2.266) 2.448 ======================= Grid point 491 (94/136) ======================= q-point: (-0.36 0.64 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( 3.169 5.488 -1.956) 6.633 1.890 ( -3.397 -5.884 0.490) 6.812 2.329 ( 0.480 0.831 -0.762) 1.225 3.143 ( 10.758 18.634 1.985) 21.608 3.487 ( -1.066 -1.847 5.999) 6.367 3.513 ( -4.574 -7.923 4.524) 10.206 5.718 ( 4.016 6.955 6.682) 10.447 5.875 ( -1.070 -1.853 5.251) 5.670 6.071 ( -0.476 -0.824 -14.938) 14.968 6.894 ( -0.125 -0.216 -5.771) 5.776 6.972 ( -3.875 -6.712 -7.580) 10.840 8.298 ( 3.535 6.123 -0.147) 7.072 8.377 ( 4.812 8.334 0.377) 9.631 8.673 ( -9.810 -16.991 2.123) 19.734 10.523 ( 1.210 2.095 9.590) 9.890 14.760 ( -0.967 -1.675 -0.452) 1.986 15.889 ( 1.967 3.406 23.135) 23.467 15.937 ( -1.702 -2.947 10.539) 11.075 16.073 ( 3.489 6.043 -13.067) 14.813 16.353 ( 6.457 11.184 -2.353) 13.126 16.666 ( -1.365 -2.364 -2.788) 3.902 16.824 ( -4.993 -8.649 -1.909) 10.168 18.037 ( -0.655 -1.135 -8.234) 8.338 18.060 ( -2.265 -3.923 -3.594) 5.782 19.235 ( 2.413 4.180 -2.895) 5.628 19.322 ( -1.156 -2.002 -2.002) 3.058 19.713 ( -0.046 -0.079 -1.867) 1.869 ======================= Grid point 532 (95/136) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( 0.000 0.000 3.066) 3.066 0.819 ( -0.000 0.000 3.066) 3.066 2.218 ( 0.000 -0.000 -8.015) 8.015 2.218 ( 0.000 0.000 -8.015) 8.015 2.745 ( 0.000 0.000 23.205) 23.205 3.395 ( 0.000 0.000 -8.505) 8.505 4.136 ( 0.000 0.000 3.221) 3.221 5.495 ( 0.000 0.000 -6.152) 6.152 5.495 ( 0.000 0.000 -6.152) 6.152 8.192 ( 0.000 0.000 9.220) 9.220 8.739 ( 0.000 0.000 -8.761) 8.761 8.872 ( -0.000 0.000 5.092) 5.092 8.872 ( 0.000 0.000 5.092) 5.092 9.030 ( 0.000 -0.000 -2.536) 2.536 9.030 ( 0.000 0.000 -2.536) 2.536 14.129 ( 0.000 -0.000 -12.112) 12.112 14.129 ( 0.000 -0.000 -12.112) 12.112 15.162 ( 0.000 0.000 -1.012) 1.012 15.162 ( 0.000 0.000 -1.012) 1.012 16.215 ( 0.000 0.000 -0.765) 0.765 16.215 ( 0.000 0.000 -0.765) 0.765 17.628 ( 0.000 0.000 2.487) 2.487 18.727 ( 0.000 -0.000 -1.246) 1.246 19.129 ( 0.000 0.000 -1.732) 1.732 19.181 ( 0.000 0.000 3.679) 3.679 19.181 ( 0.000 0.000 3.679) 3.679 19.598 ( 0.000 0.000 7.981) 7.981 ======================= Grid point 533 (96/136) ======================= q-point: ( 0.09 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( 7.606 18.991 4.791) 21.011 1.320 ( 36.521 6.840 2.567) 37.244 2.101 ( -6.009 -0.533 -3.691) 7.072 2.367 ( 7.253 3.651 -12.037) 14.520 2.771 ( 4.539 -0.123 20.627) 21.121 3.320 ( -5.385 -1.896 -5.539) 7.954 4.119 ( -1.362 -1.067 2.953) 3.422 5.462 ( -0.303 0.898 -3.496) 3.622 5.594 ( 5.502 2.604 -8.953) 10.826 8.123 ( -5.951 -3.313 9.607) 11.776 8.524 ( -12.185 -4.697 -5.941) 14.346 8.738 ( -1.030 -15.723 1.823) 15.862 8.875 ( -12.719 3.078 -2.976) 13.420 9.111 ( 4.108 13.109 2.321) 13.933 9.281 ( 19.795 3.276 -0.258) 20.066 14.093 ( 6.275 -5.175 -6.292) 10.283 14.388 ( 12.496 16.069 -17.441) 26.806 15.154 ( -1.451 1.932 -0.937) 2.592 15.232 ( 6.625 0.878 -1.448) 6.837 16.189 ( -0.765 -3.009 -0.372) 3.127 16.319 ( 7.527 6.963 -0.647) 10.274 17.622 ( -0.552 -0.328 2.342) 2.428 18.727 ( 0.087 -0.774 -0.293) 0.833 18.999 ( -10.723 -10.316 5.464) 15.851 19.090 ( -5.248 -0.246 0.257) 5.260 19.215 ( 0.016 4.375 0.966) 4.481 19.629 ( 2.669 -0.821 5.265) 5.960 ======================= Grid point 534 (97/136) ======================= q-point: ( 0.18 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( 9.698 15.457 2.753) 18.454 1.868 ( 16.213 1.691 10.061) 19.156 2.019 ( -0.955 2.500 -5.314) 5.950 2.473 ( 2.070 -2.864 -10.450) 11.031 2.941 ( 12.503 -1.276 11.018) 16.714 3.353 ( 11.492 13.206 1.404) 17.562 4.069 ( -2.390 -2.471 2.192) 4.077 5.496 ( 2.563 1.454 -1.443) 3.281 5.723 ( 5.598 4.152 -10.915) 12.950 7.933 ( -10.918 -5.373 9.161) 15.231 8.273 ( -10.542 -6.870 -5.973) 13.929 8.536 ( -2.532 -19.284 0.350) 19.453 8.633 ( -19.840 5.503 -3.365) 20.862 9.284 ( 5.023 7.287 1.765) 9.024 9.686 ( 18.657 8.293 1.460) 20.469 14.220 ( 14.292 -5.393 -0.899) 15.302 14.840 ( 16.102 23.009 -19.909) 34.425 15.152 ( -0.746 1.886 -1.982) 2.836 15.373 ( 7.591 0.740 -1.654) 7.804 16.151 ( 0.141 -1.930 0.092) 1.937 16.588 ( 12.730 10.502 1.407) 16.563 17.597 ( -1.767 -0.988 2.069) 2.894 18.578 ( -13.894 -15.165 6.876) 21.686 18.780 ( -2.802 1.008 -2.103) 3.645 18.968 ( -8.689 0.756 1.627) 8.872 19.271 ( 1.850 3.324 -0.031) 3.804 19.644 ( 1.395 -3.414 1.908) 4.153 ======================= Grid point 535 (98/136) ======================= q-point: ( 0.27 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( 0.425 3.553 -2.658) 4.458 1.971 ( -0.449 12.363 10.173) 16.017 2.169 ( 9.577 -1.680 -0.650) 9.745 2.404 ( -0.405 -9.458 -6.315) 11.380 3.088 ( 7.386 0.914 6.833) 10.103 3.923 ( 15.144 7.085 5.019) 17.457 4.044 ( 15.476 10.052 -0.007) 18.454 5.564 ( 4.451 -0.663 -0.296) 4.510 5.868 ( 5.132 6.725 -11.462) 14.246 7.654 ( -14.488 -6.213 6.245) 16.956 8.029 ( -8.985 -9.247 -1.586) 12.990 8.241 ( -10.638 -16.368 -3.926) 19.912 8.367 ( -15.364 3.241 -2.117) 15.844 9.432 ( 4.744 5.592 1.935) 7.584 10.043 ( 13.651 7.218 2.678) 15.672 14.461 ( 19.092 -4.393 4.239) 20.044 15.147 ( -0.560 3.118 -0.104) 3.169 15.345 ( 12.904 16.686 -16.916) 27.038 15.479 ( 5.947 2.570 -7.195) 9.682 16.181 ( 4.005 0.355 0.877) 4.115 16.906 ( 9.601 11.300 8.440) 17.061 17.537 ( -3.679 -1.859 2.006) 4.584 18.160 ( -14.270 -14.663 -1.648) 20.527 18.722 ( -7.875 0.444 0.725) 7.921 18.874 ( -1.526 1.925 -0.045) 2.457 19.334 ( 1.739 2.567 -0.427) 3.130 19.614 ( 0.068 -4.692 -0.072) 4.693 ======================= Grid point 536 (99/136) ======================= q-point: ( 0.36 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( -2.893 0.683 -4.861) 5.698 2.092 ( -0.069 7.740 5.779) 9.660 2.251 ( 2.212 -1.005 1.845) 3.051 2.362 ( 5.084 -5.303 -1.953) 7.601 3.225 ( 6.290 2.042 6.102) 8.998 3.882 ( -2.024 -5.218 4.185) 6.988 4.781 ( 33.185 18.810 1.350) 38.169 5.622 ( 4.461 -3.427 -0.484) 5.646 6.021 ( 3.382 7.580 -10.285) 13.217 7.342 ( -14.011 -5.349 2.984) 15.291 7.723 ( -15.459 -11.775 2.118) 19.548 7.970 ( -5.028 -7.188 -5.524) 10.366 8.160 ( -10.217 -0.716 -1.982) 10.432 9.550 ( 3.075 4.425 2.032) 5.759 10.287 ( 8.038 4.526 3.624) 9.911 14.769 ( 20.541 -3.353 8.862) 22.621 15.160 ( -0.021 0.926 0.090) 0.931 15.419 ( 0.702 -5.105 0.439) 5.171 15.833 ( 10.463 20.038 -22.573) 31.946 16.242 ( 1.979 -2.040 3.011) 4.141 17.074 ( -0.957 8.083 17.434) 19.240 17.435 ( -5.652 -2.396 2.475) 6.619 17.884 ( -4.055 -7.949 -14.964) 17.423 18.577 ( -7.986 1.240 1.500) 8.220 18.914 ( 2.350 2.392 -1.408) 3.636 19.373 ( 0.325 1.506 -0.831) 1.750 19.565 ( -0.011 -4.800 -0.773) 4.862 ======================= Grid point 537 (100/136) ======================= q-point: ( 0.45 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( -1.589 1.384 -5.551) 5.937 2.107 ( -0.338 -0.572 1.201) 1.372 2.288 ( 1.829 0.107 2.926) 3.452 2.405 ( 1.449 0.341 2.472) 2.886 3.320 ( 3.535 -0.877 2.682) 4.523 3.815 ( -0.099 -3.675 8.149) 8.939 5.428 ( 21.896 10.616 0.226) 24.334 5.641 ( 2.347 -5.754 -0.509) 6.235 6.069 ( -4.593 2.690 -8.670) 10.173 7.152 ( -4.043 2.585 1.653) 5.075 7.357 ( -12.442 -8.029 -0.170) 14.809 7.894 ( 1.513 -4.464 -2.490) 5.331 8.017 ( -5.618 0.658 -2.418) 6.152 9.617 ( 0.362 2.928 2.037) 3.585 10.408 ( 2.637 1.515 4.088) 5.095 15.049 ( 13.184 -2.183 9.446) 16.365 15.158 ( 1.566 -4.839 4.200) 6.596 15.382 ( 1.713 -5.429 0.850) 5.756 16.100 ( 2.529 7.313 -7.337) 10.664 16.196 ( -4.519 3.239 -8.291) 9.983 17.122 ( -0.567 6.888 12.865) 14.604 17.312 ( -5.533 -1.234 3.784) 6.816 17.809 ( 0.012 -3.310 -16.062) 16.400 18.502 ( -3.735 3.408 0.197) 5.060 18.974 ( 1.513 1.528 -2.219) 3.090 19.377 ( -0.787 0.807 -0.845) 1.408 19.530 ( 1.313 -4.116 -1.011) 4.437 ======================= Grid point 544 (101/136) ======================= q-point: ( 0.09 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( 12.058 20.885 -3.831) 24.418 1.541 ( 8.938 15.481 8.149) 19.646 2.093 ( -0.011 -0.019 3.626) 3.626 2.439 ( 0.425 0.735 -13.225) 13.252 2.800 ( 2.440 4.227 14.916) 15.694 3.347 ( 5.192 8.992 -0.536) 10.397 4.076 ( -1.911 -3.309 2.931) 4.816 5.487 ( 0.785 1.360 -2.459) 2.917 5.690 ( 3.921 6.792 -10.450) 13.066 8.003 ( -4.859 -8.416 9.604) 13.663 8.374 ( -6.076 -10.524 -8.988) 15.114 8.409 ( -9.392 -16.268 3.236) 19.062 8.935 ( -0.598 -1.036 -2.739) 2.988 9.157 ( 0.066 0.114 -0.387) 0.409 9.585 ( 11.831 20.492 2.520) 23.797 14.065 ( 1.604 2.778 -0.180) 3.212 14.816 ( 14.736 25.524 -22.200) 36.898 15.161 ( -0.879 -1.523 -2.273) 2.874 15.323 ( 4.533 7.851 -0.110) 9.066 16.132 ( -1.354 -2.345 0.873) 2.845 16.532 ( 8.219 14.235 -0.778) 16.456 17.607 ( -0.777 -1.345 2.140) 2.645 18.608 ( -8.819 -15.275 7.670) 19.233 18.820 ( -1.702 -2.948 -0.696) 3.475 19.051 ( -2.335 -4.044 -1.331) 4.856 19.285 ( 1.642 2.845 -0.830) 3.388 19.603 ( -0.970 -1.680 5.095) 5.452 ======================= Grid point 545 (102/136) ======================= q-point: ( 0.18 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( -4.783 11.583 -0.603) 12.546 1.918 ( 17.049 2.875 -4.173) 17.786 2.125 ( -0.620 10.728 11.404) 15.670 2.366 ( -3.410 -6.942 -5.887) 9.720 2.929 ( 9.004 0.740 8.855) 12.650 3.757 ( 19.240 26.036 2.436) 32.465 3.995 ( -1.796 -4.696 2.821) 5.765 5.513 ( 1.362 0.008 -1.096) 1.748 5.846 ( 5.485 7.948 -11.425) 14.959 7.800 ( -9.712 -7.510 7.871) 14.584 8.053 ( -9.810 -17.848 1.558) 20.426 8.172 ( -5.277 -13.654 -7.307) 16.361 8.782 ( -18.714 8.069 -2.854) 20.579 9.244 ( 12.579 -8.297 0.213) 15.071 9.970 ( 10.560 17.111 2.715) 20.290 14.194 ( 9.923 2.571 6.012) 11.884 15.118 ( -0.141 -4.673 -2.124) 5.135 15.337 ( 14.189 25.272 -21.340) 35.992 15.482 ( 3.481 9.928 -2.250) 10.758 16.117 ( 2.113 -1.081 1.157) 2.640 16.855 ( 10.912 15.519 2.504) 19.136 17.564 ( -2.115 -2.450 1.907) 3.757 18.218 ( -13.029 -20.172 4.662) 24.462 18.818 ( -1.265 2.669 -1.673) 3.394 18.932 ( -5.276 -4.499 -1.997) 7.216 19.339 ( 1.179 3.221 -1.132) 3.612 19.565 ( -0.109 -4.041 3.833) 5.571 ======================= Grid point 546 (103/136) ======================= q-point: ( 0.27 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( -6.226 4.558 -4.023) 8.702 2.101 ( 7.442 -4.088 -1.138) 8.566 2.224 ( -3.368 -0.919 3.028) 4.621 2.329 ( 1.850 15.153 3.668) 15.700 3.110 ( 10.134 1.749 7.819) 12.918 3.866 ( -3.314 -5.859 4.640) 8.176 4.462 ( 27.886 24.157 2.535) 36.982 5.531 ( 2.307 -2.683 -0.062) 3.539 6.024 ( 5.223 8.428 -11.032) 14.833 7.511 ( -14.046 -9.232 2.601) 17.008 7.736 ( -6.572 -18.223 3.040) 19.609 7.963 ( -4.881 -8.854 -5.054) 11.303 8.513 ( -21.133 8.292 -2.902) 22.886 9.377 ( 12.603 -9.436 0.306) 15.747 10.266 ( 6.227 13.298 3.302) 15.050 14.440 ( 15.573 2.259 11.379) 19.419 15.068 ( 1.795 -8.180 -1.425) 8.495 15.517 ( -4.252 8.266 4.756) 10.441 15.858 ( 12.096 23.626 -25.761) 36.988 16.175 ( 4.189 -0.025 1.984) 4.635 17.135 ( 4.152 10.121 12.764) 16.811 17.484 ( -3.745 -3.646 1.855) 5.546 17.859 ( -6.140 -13.881 -10.178) 18.274 18.713 ( -8.577 -2.856 -2.131) 9.288 18.908 ( 2.037 2.630 -1.635) 3.707 19.383 ( 0.563 2.119 -1.246) 2.521 19.520 ( -0.226 -4.281 2.775) 5.107 ======================= Grid point 547 (104/136) ======================= q-point: ( 0.36 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( -4.624 4.544 -5.670) 8.613 2.104 ( -0.636 -3.818 0.717) 3.936 2.218 ( 4.230 -2.965 3.230) 6.092 2.489 ( -2.410 15.880 2.547) 16.262 3.274 ( 4.919 3.378 6.378) 8.734 3.764 ( -0.726 -6.494 7.813) 10.185 5.135 ( 25.509 15.347 2.608) 29.884 5.542 ( 3.226 -4.008 0.329) 5.155 6.147 ( -0.294 4.361 -8.696) 9.733 7.212 ( -6.993 -9.090 -0.393) 11.476 7.444 ( -9.575 -12.414 -1.742) 15.774 7.863 ( -0.978 -1.336 0.296) 1.682 8.255 ( -16.721 6.765 -3.021) 18.289 9.476 ( 10.280 -10.628 0.229) 14.788 10.444 ( 1.204 9.837 3.802) 10.615 14.742 ( 16.549 0.867 14.870) 22.265 15.022 ( 3.423 -10.176 0.233) 10.738 15.488 ( -6.631 5.747 7.791) 11.734 16.122 ( -0.960 2.490 0.758) 2.774 16.305 ( 4.770 16.143 -21.597) 27.382 17.183 ( -1.557 1.769 14.395) 14.586 17.371 ( -4.544 -4.241 2.382) 6.656 17.766 ( 1.415 -2.602 -18.328) 18.566 18.564 ( -4.018 -3.501 -3.258) 6.246 18.983 ( 1.622 4.940 -2.004) 5.572 19.396 ( -0.561 0.652 -1.521) 1.747 19.479 ( 0.106 -3.442 2.629) 4.333 ======================= Grid point 548 (105/136) ======================= q-point: ( 0.45 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( -3.033 5.253 -6.067) 8.579 2.076 ( 1.050 -1.819 1.393) 2.520 2.243 ( 2.527 -4.377 3.254) 6.011 2.549 ( -7.373 12.770 1.891) 14.867 3.330 ( -1.225 2.122 4.415) 5.049 3.726 ( 3.010 -5.214 10.687) 12.266 5.457 ( 4.870 -8.435 3.067) 10.211 5.593 ( -0.702 1.215 -0.319) 1.439 6.111 ( -1.276 2.209 -5.896) 6.424 7.155 ( 4.591 -7.952 -2.073) 9.414 7.237 ( -1.080 1.871 -4.289) 4.802 7.864 ( -1.402 2.428 2.400) 3.691 8.128 ( -5.316 9.207 -3.514) 11.198 9.512 ( 7.134 -12.357 0.173) 14.269 10.502 ( -3.895 6.746 3.983) 8.749 14.940 ( 4.026 -6.974 15.786) 17.721 14.978 ( 5.468 -9.471 1.775) 11.079 15.442 ( -2.904 5.029 10.113) 11.662 16.091 ( -0.742 1.285 6.879) 7.037 16.452 ( -7.925 13.726 -28.384) 32.509 17.194 ( 0.081 -0.140 9.931) 9.932 17.286 ( 0.610 -1.056 2.574) 2.849 17.767 ( 0.168 -0.291 -15.510) 15.513 18.515 ( 1.348 -2.336 -4.256) 5.038 19.029 ( -2.216 3.839 -2.507) 5.093 19.389 ( -0.216 0.374 -1.231) 1.305 19.463 ( 1.384 -2.398 2.441) 3.691 ======================= Grid point 557 (106/136) ======================= q-point: ( 0.18 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( -0.430 -0.744 -1.210) 1.484 1.967 ( 1.482 2.567 -4.871) 5.702 2.238 ( -3.171 -5.492 0.552) 6.366 2.454 ( 10.815 18.731 7.557) 22.911 2.987 ( 3.251 5.631 8.295) 10.539 3.874 ( -3.742 -6.482 4.454) 8.709 4.335 ( 17.493 30.299 3.523) 35.163 5.497 ( -0.815 -1.412 -0.088) 1.633 6.019 ( 5.215 9.032 -11.170) 15.282 7.634 ( -12.462 -21.585 1.714) 24.983 7.648 ( -5.036 -8.723 3.292) 10.597 7.964 ( -4.802 -8.318 -4.502) 10.608 8.897 ( -0.715 -1.238 -4.109) 4.350 9.059 ( -3.035 -5.257 0.905) 6.138 10.285 ( 8.084 14.003 3.152) 16.473 14.314 ( 5.399 9.351 12.371) 16.421 15.008 ( -3.316 -5.744 -1.738) 6.857 15.609 ( 2.877 4.983 6.972) 9.040 15.875 ( 14.182 24.565 -26.960) 39.133 16.129 ( 1.558 2.699 0.743) 3.204 17.146 ( 6.767 11.721 9.930) 16.786 17.497 ( -2.550 -4.417 1.714) 5.380 17.840 ( -9.018 -15.620 -7.386) 19.490 18.785 ( -5.326 -9.226 -4.514) 11.570 18.895 ( 2.540 4.399 -1.179) 5.215 19.391 ( 1.058 1.833 -1.698) 2.713 19.498 ( -1.530 -2.650 4.923) 5.796 ======================= Grid point 558 (107/136) ======================= q-point: ( 0.27 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( -4.456 3.474 -4.589) 7.279 2.016 ( 4.258 -3.774 -0.928) 5.765 2.158 ( -0.844 -3.086 4.186) 5.268 2.743 ( -1.696 22.021 2.329) 22.209 3.164 ( 11.167 3.654 8.470) 14.484 3.741 ( -3.880 -6.468 6.704) 10.091 4.915 ( 19.291 20.427 4.860) 28.513 5.470 ( 0.880 -2.557 1.155) 2.940 6.173 ( 2.721 5.619 -8.664) 10.679 7.225 ( -10.289 -17.560 -0.045) 20.353 7.463 ( -6.349 -10.379 -5.472) 13.341 7.877 ( -0.207 0.984 2.432) 2.632 8.667 ( -22.014 6.842 -2.646) 23.205 9.114 ( 15.014 -16.258 -0.952) 22.151 10.510 ( 3.814 10.662 3.533) 11.862 14.547 ( 10.888 8.397 17.212) 22.030 14.908 ( -0.629 -7.167 -0.725) 7.231 15.612 ( -4.351 -0.965 14.068) 14.757 16.187 ( -0.352 6.265 -0.605) 6.304 16.334 ( 12.005 19.761 -25.309) 34.281 17.211 ( -2.726 -3.373 14.671) 15.298 17.390 ( -3.834 -5.881 1.634) 7.208 17.723 ( 2.585 1.843 -20.076) 20.326 18.583 ( -6.086 -9.826 -5.849) 12.954 19.001 ( 3.135 6.428 -1.365) 7.281 19.408 ( -0.269 0.239 -1.807) 1.842 19.458 ( -0.627 -1.997 5.074) 5.489 ======================= Grid point 559 (108/136) ======================= q-point: ( 0.36 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( -4.091 5.661 -4.988) 8.583 2.026 ( 2.166 -4.261 0.241) 4.786 2.146 ( 2.449 -3.587 4.525) 6.273 2.858 ( -8.213 19.760 0.685) 21.410 3.362 ( 4.541 5.151 7.429) 10.116 3.631 ( -0.384 -7.004 9.257) 11.614 5.271 ( 8.439 -2.761 4.389) 9.904 5.566 ( 7.952 8.068 2.833) 11.677 6.158 ( -4.677 -3.888 -2.260) 6.488 7.019 ( 1.291 -7.237 -4.824) 8.793 7.259 ( -4.667 -8.013 -9.493) 13.271 7.957 ( 0.483 10.708 4.732) 11.717 8.380 ( -15.996 5.427 -2.655) 17.098 9.184 ( 12.466 -17.795 -1.394) 21.772 10.624 ( -1.069 7.626 3.759) 8.569 14.792 ( 7.670 1.225 11.627) 13.982 14.863 ( 2.591 -2.359 8.711) 9.389 15.482 ( -3.589 -6.959 19.659) 21.161 16.202 ( -5.036 8.065 1.009) 9.562 16.657 ( 2.515 16.482 -28.730) 33.217 17.145 ( 0.990 -4.473 5.440) 7.112 17.268 ( -2.260 -5.865 1.291) 6.417 17.800 ( -0.354 5.381 -13.954) 14.960 18.428 ( 0.534 -9.905 -7.257) 12.290 19.105 ( 0.209 6.855 -2.144) 7.185 19.391 ( -0.573 -1.283 -1.481) 2.042 19.437 ( -0.049 -0.907 5.056) 5.137 ======================= Grid point 565 (109/136) ======================= q-point: (-0.09 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( -9.486 16.430 6.965) 20.209 1.852 ( -7.921 13.720 12.761) 20.342 1.995 ( -0.807 1.397 -13.288) 13.385 2.489 ( -3.989 6.909 -10.664) 13.317 2.954 ( -7.764 13.448 13.629) 20.661 3.237 ( -0.213 0.369 -0.716) 0.833 4.092 ( 1.193 -2.066 1.988) 3.106 5.476 ( -1.507 2.611 -1.365) 3.309 5.684 ( -2.842 4.922 -10.587) 12.016 7.990 ( 5.596 -9.692 9.559) 14.718 8.348 ( 5.355 -9.276 -6.711) 12.640 8.547 ( 9.540 -16.523 -3.438) 19.386 8.877 ( 0.847 -1.466 -0.732) 1.844 9.048 ( -0.762 1.319 4.815) 5.050 9.634 ( -10.811 18.725 0.457) 21.627 14.360 ( -9.070 15.710 -3.220) 18.424 14.520 ( -7.271 12.594 -18.575) 23.590 15.118 ( 0.826 -1.432 -1.387) 2.158 15.383 ( -5.489 9.507 -2.337) 11.224 16.175 ( 1.129 -1.956 -1.321) 2.616 16.476 ( -7.024 12.166 2.155) 14.213 17.607 ( 0.813 -1.408 2.130) 2.679 18.741 ( 0.675 -1.170 1.957) 2.378 18.793 ( 8.874 -15.370 0.512) 17.755 18.931 ( 4.673 -8.095 5.547) 10.869 19.232 ( -1.587 2.749 0.301) 3.189 19.681 ( -0.927 1.606 1.035) 2.124 ======================= Grid point 569 (110/136) ======================= q-point: ( 0.27 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( 1.487 2.576 -4.448) 5.351 1.954 ( -1.575 -2.728 -0.565) 3.200 2.113 ( -0.799 -1.383 5.407) 5.638 3.115 ( 7.352 12.734 -1.400) 14.771 3.263 ( 4.451 7.709 10.022) 13.404 3.614 ( -3.757 -6.508 8.202) 11.124 5.174 ( 2.128 3.686 5.196) 6.717 5.531 ( 6.508 11.273 4.560) 13.792 6.180 ( -3.742 -6.482 -0.808) 7.528 6.973 ( -3.038 -5.261 -6.050) 8.574 7.257 ( -6.001 -10.393 -10.757) 16.117 8.009 ( 6.674 11.560 4.404) 14.057 8.730 ( -6.481 -11.225 1.678) 13.070 8.804 ( -2.143 -3.712 -5.553) 7.015 10.672 ( 3.241 5.614 3.645) 7.437 14.731 ( 3.017 5.226 11.428) 12.924 14.829 ( 2.140 3.706 9.931) 10.813 15.472 ( -6.739 -11.672 22.301) 26.057 16.313 ( 3.207 5.554 -0.291) 6.420 16.700 ( 9.246 16.015 -25.823) 31.762 17.115 ( -2.210 -3.828 0.212) 4.425 17.255 ( -4.330 -7.500 1.251) 8.750 17.841 ( 4.338 7.514 -13.849) 16.343 18.360 ( -6.665 -11.544 -7.714) 15.401 19.140 ( 4.028 6.976 -1.695) 8.232 19.388 ( -1.249 -2.163 -1.966) 3.179 19.435 ( -0.321 -0.556 6.049) 6.083 ======================= Grid point 570 (111/136) ======================= q-point: ( 0.36 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( -3.515 6.088 -3.455) 7.833 1.920 ( 3.489 -6.043 -1.354) 7.108 2.101 ( 0.574 -0.995 5.652) 5.768 3.214 ( -8.682 15.037 0.404) 17.368 3.443 ( -0.214 0.371 9.022) 9.032 3.483 ( 3.766 -6.523 7.181) 10.407 5.182 ( 2.010 -3.481 4.657) 6.152 5.747 ( -4.804 8.321 6.195) 11.432 6.016 ( 4.820 -8.348 4.730) 10.738 6.976 ( -1.059 1.835 -10.171) 10.389 7.112 ( 3.589 -6.217 -11.686) 13.715 8.226 ( -7.543 13.065 4.361) 15.704 8.464 ( -1.952 3.381 -0.430) 3.928 8.823 ( 9.405 -16.290 -3.977) 19.226 10.728 ( -1.577 2.731 3.682) 4.848 14.733 ( 1.377 -2.385 0.208) 2.762 14.985 ( -5.141 8.905 23.389) 25.549 15.282 ( 6.219 -10.772 24.324) 27.320 16.370 ( -3.577 6.196 -0.376) 7.164 16.907 ( -4.199 7.273 -31.129) 32.242 17.064 ( 0.819 -1.419 2.088) 2.654 17.152 ( 3.197 -5.537 -0.819) 6.446 17.946 ( -4.906 8.498 -10.314) 14.236 18.209 ( 6.224 -10.781 -8.825) 15.260 19.232 ( -3.061 5.303 -2.172) 6.497 19.347 ( 1.704 -2.952 -1.832) 3.870 19.430 ( 0.032 -0.056 6.365) 6.365 ======================= Grid point 576 (112/136) ======================= q-point: (-0.18 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( -7.580 13.253 3.775) 15.727 1.796 ( -1.103 -8.235 4.806) 9.598 2.191 ( -3.629 7.542 -1.299) 8.470 2.580 ( 3.139 7.477 -7.680) 11.169 3.056 ( -2.542 0.144 3.944) 4.694 3.670 ( -25.962 28.338 6.035) 38.904 4.040 ( 2.374 -2.085 0.448) 3.191 5.564 ( -3.562 5.494 0.436) 6.562 5.777 ( -3.960 2.220 -11.910) 12.746 7.750 ( 9.935 -11.425 7.805) 17.034 8.150 ( 9.394 -8.447 -5.161) 13.646 8.220 ( 5.956 -18.860 -4.833) 20.360 8.694 ( 19.353 7.388 0.730) 20.728 9.173 ( -14.513 -9.611 3.310) 17.719 9.987 ( -9.639 16.079 2.225) 18.879 14.615 ( -0.510 23.238 -2.743) 23.405 14.909 ( -22.300 4.295 -10.237) 24.911 15.111 ( -3.758 -1.246 -7.935) 8.868 15.571 ( -1.941 13.025 -2.746) 13.452 16.154 ( -1.557 -0.647 -0.683) 1.819 16.741 ( -10.078 8.401 7.874) 15.302 17.560 ( 2.280 -2.866 2.050) 4.197 18.381 ( 15.836 -14.608 -1.265) 21.582 18.734 ( 5.537 -5.644 3.979) 8.851 18.815 ( -2.645 -2.884 1.465) 4.178 19.293 ( -2.487 1.893 0.175) 3.130 19.685 ( 1.774 0.944 -1.788) 2.690 ======================= Grid point 588 (113/136) ======================= q-point: (-0.27 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( 4.959 2.490 -2.323) 6.016 1.909 ( -11.298 0.874 5.687) 12.679 2.265 ( -0.599 1.865 0.124) 1.963 2.558 ( 7.933 10.226 -3.139) 13.317 3.164 ( -7.307 3.035 5.300) 9.523 3.961 ( 3.937 -1.507 0.555) 4.252 4.454 ( -30.275 26.896 2.785) 40.592 5.676 ( -1.379 6.769 -0.311) 6.915 5.878 ( -7.103 -0.188 -10.743) 12.880 7.441 ( 11.999 -11.869 4.917) 17.579 7.808 ( 10.454 -21.160 -2.496) 23.733 8.039 ( 4.805 -3.501 -5.115) 7.842 8.422 ( 19.843 6.945 0.614) 21.032 9.313 ( -13.735 -11.457 3.054) 18.145 10.265 ( -6.154 12.383 3.689) 14.311 14.859 ( -3.686 16.074 2.235) 16.642 15.075 ( -3.734 0.789 -1.247) 4.015 15.434 ( -21.614 5.577 -17.724) 28.503 15.667 ( 5.893 14.182 -2.761) 15.604 16.233 ( -5.407 1.971 -0.414) 5.770 16.919 ( -5.922 -2.393 18.505) 19.576 17.468 ( 4.023 -4.949 2.521) 6.858 18.027 ( 10.770 -7.435 -11.749) 17.587 18.550 ( 4.659 -10.168 5.317) 12.384 18.878 ( -3.226 2.912 -0.585) 4.385 19.344 ( -1.748 0.637 -0.041) 1.861 19.649 ( 3.187 1.078 -3.031) 4.528 ======================= Grid point 589 (114/136) ======================= q-point: (-0.18 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( 2.551 -4.419 0.303) 5.112 1.770 ( -7.056 12.222 3.317) 14.497 2.269 ( -0.918 1.589 -0.471) 1.895 2.721 ( -3.226 5.588 -3.111) 7.163 3.079 ( -2.470 4.278 4.334) 6.571 3.987 ( 1.884 -3.263 -1.021) 3.903 4.322 ( -20.311 35.180 4.375) 40.858 5.705 ( -4.752 8.230 2.273) 9.772 5.804 ( -0.445 0.772 -13.259) 13.289 7.493 ( 8.291 -14.361 6.031) 17.645 7.776 ( 12.343 -21.378 -4.572) 25.105 8.069 ( 2.266 -3.925 -5.096) 6.820 8.771 ( 2.076 -3.597 1.104) 4.297 8.995 ( 2.348 -4.067 3.705) 5.982 10.278 ( -7.484 12.963 3.858) 15.457 14.904 ( -0.067 0.116 -0.102) 0.168 15.134 ( -12.058 20.884 3.614) 24.384 15.178 ( -6.092 10.552 -22.183) 25.309 15.844 ( -7.350 12.731 -4.113) 15.265 16.151 ( -0.917 1.589 -0.185) 1.844 16.855 ( -0.887 1.537 18.494) 18.579 17.478 ( 3.257 -5.641 2.522) 6.985 18.085 ( 7.604 -13.171 -11.178) 18.875 18.540 ( 6.409 -11.101 7.195) 14.700 18.864 ( -2.828 4.898 -0.362) 5.667 19.331 ( -0.972 1.683 0.314) 1.969 19.683 ( 0.516 -0.893 -3.774) 3.912 ======================= Grid point 600 (115/136) ======================= q-point: (-0.36 0.45 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( 3.225 2.581 -3.444) 5.378 2.061 ( -5.414 -0.345 2.570) 6.003 2.280 ( -0.394 0.702 0.284) 0.854 2.533 ( 7.289 10.882 1.217) 13.154 3.328 ( -5.272 6.496 3.763) 9.173 3.872 ( 3.840 -2.332 2.794) 5.290 5.184 ( -25.913 20.520 0.972) 33.068 5.732 ( 1.190 4.755 -3.574) 6.067 5.988 ( -4.795 -2.070 -7.057) 8.779 7.146 ( 7.927 -10.051 3.110) 13.173 7.425 ( 9.616 -18.809 -1.835) 21.204 7.973 ( 2.471 3.039 -3.349) 5.153 8.178 ( 15.099 5.177 -0.300) 15.964 9.410 ( -11.474 -13.049 3.084) 17.648 10.437 ( -1.587 8.951 4.500) 10.143 14.967 ( -4.489 -5.673 2.814) 7.763 15.261 ( -3.920 19.579 1.198) 20.004 15.641 ( 9.245 15.590 -1.533) 18.190 15.832 ( -15.537 1.188 -16.305) 22.553 16.271 ( 4.408 -0.128 2.768) 5.206 16.949 ( -7.030 -7.257 18.016) 20.656 17.329 ( 4.783 -7.240 3.920) 9.521 17.873 ( 3.908 -1.245 -15.627) 16.156 18.410 ( -0.275 -9.572 3.636) 10.243 18.965 ( -2.141 4.510 -1.471) 5.205 19.361 ( -0.375 -0.784 -0.250) 0.905 19.609 ( 2.923 1.979 -3.312) 4.841 ======================= Grid point 601 (116/136) ======================= q-point: (-0.27 0.45 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( 3.140 2.643 -1.096) 4.248 1.959 ( -5.825 1.972 1.400) 6.307 2.283 ( -0.028 0.392 -1.281) 1.340 2.792 ( 5.375 13.515 0.798) 14.566 3.242 ( -10.111 5.186 4.629) 12.270 3.904 ( 3.631 -4.280 -0.840) 5.675 5.003 ( -21.829 27.587 2.361) 35.258 5.785 ( 1.451 1.683 -10.383) 10.618 5.892 ( -6.544 3.882 -0.352) 7.617 7.198 ( 9.989 -12.460 3.722) 16.398 7.373 ( 9.285 -21.424 -4.247) 23.733 8.032 ( 0.728 2.202 -3.458) 4.164 8.550 ( 19.775 5.611 1.761) 20.631 9.031 ( -13.745 -16.168 2.934) 21.422 10.488 ( -3.830 9.733 5.003) 11.594 14.867 ( -0.269 -5.127 1.081) 5.246 15.390 ( -4.091 19.706 -10.894) 22.886 15.586 ( -16.556 10.732 -5.288) 20.427 15.983 ( 7.492 16.488 -3.751) 18.494 16.259 ( -7.088 0.734 -1.946) 7.387 16.793 ( 0.346 -9.803 24.537) 26.425 17.335 ( 5.144 -8.720 3.901) 10.850 17.910 ( 3.303 -3.795 -15.367) 16.170 18.333 ( 3.998 -11.391 5.654) 13.330 18.976 ( -3.245 6.491 -0.892) 7.311 19.351 ( -0.229 -0.150 0.187) 0.331 19.659 ( 1.533 0.006 -4.301) 4.566 ======================= Grid point 610 (117/136) ======================= q-point: (-0.45 0.55 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( 2.028 3.513 -3.713) 5.499 2.100 ( -1.006 -1.742 0.642) 2.111 2.292 ( -0.423 -0.732 0.918) 1.248 2.523 ( 6.517 11.288 3.181) 13.417 3.420 ( 3.260 5.646 0.614) 6.549 3.816 ( -0.967 -1.675 6.043) 6.345 5.599 ( 1.271 2.201 -0.588) 2.609 5.738 ( 2.634 4.561 -2.892) 6.009 5.968 ( -1.902 -3.295 -6.933) 7.909 7.036 ( -3.395 -5.881 4.053) 7.908 7.209 ( -4.315 -7.475 -2.886) 9.101 8.011 ( 4.299 7.447 -3.487) 9.279 8.029 ( 3.386 5.864 0.047) 6.771 9.444 ( -8.555 -14.818 3.108) 17.391 10.495 ( 3.391 5.874 4.738) 8.273 14.972 ( -4.942 -8.560 1.679) 10.026 15.433 ( 8.862 15.349 4.222) 18.219 15.629 ( 9.727 16.848 0.567) 19.463 15.995 ( -4.228 -7.323 -18.668) 20.494 16.172 ( 1.073 1.858 7.077) 7.395 17.015 ( -4.300 -7.448 11.374) 14.259 17.217 ( -2.753 -4.768 5.762) 7.970 17.833 ( 0.573 0.992 -13.793) 13.840 18.368 ( -4.715 -8.167 2.315) 9.710 19.012 ( 1.817 3.147 -1.965) 4.132 19.356 ( -0.574 -0.994 -0.203) 1.165 19.594 ( 1.703 2.950 -3.363) 4.787 ======================= Grid point 612 (118/136) ======================= q-point: (-0.36 0.55 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( 3.343 6.059 -1.719) 7.130 2.022 ( -3.772 -4.380 0.832) 5.840 2.286 ( 0.066 0.235 -1.643) 1.661 2.818 ( 9.365 17.559 2.383) 20.042 3.471 ( -7.139 7.216 2.492) 10.452 3.779 ( 3.383 -7.275 1.848) 8.233 5.558 ( -14.354 16.553 0.815) 21.925 5.771 ( 0.159 -1.204 -12.914) 12.971 5.971 ( 1.787 0.769 2.154) 2.902 6.960 ( 3.225 -8.298 2.448) 9.233 7.076 ( 2.255 -15.329 -3.627) 15.912 8.098 ( -1.833 9.637 -1.526) 9.928 8.282 ( 16.551 4.718 0.548) 17.219 9.088 ( -12.515 -18.527 2.959) 22.553 10.597 ( 0.654 6.708 5.512) 8.707 14.832 ( -2.385 -6.065 0.267) 6.523 15.653 ( -2.700 17.162 -6.506) 18.551 15.876 ( -6.795 5.409 -5.915) 10.508 15.986 ( 10.305 16.599 -2.114) 19.651 16.228 ( 6.397 -3.947 2.916) 8.063 16.816 ( -10.976 -5.630 13.930) 18.607 17.146 ( 3.790 -11.239 6.441) 13.497 17.856 ( 1.601 0.018 -11.558) 11.669 18.207 ( -2.355 -10.457 2.826) 11.085 19.078 ( -0.247 6.354 -1.385) 6.508 19.339 ( 0.129 -1.523 0.032) 1.529 19.639 ( 1.210 0.999 -4.178) 4.463 ======================= Grid point 613 (119/136) ======================= q-point: (-0.27 0.55 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( -2.469 4.277 -0.517) 4.965 1.947 ( 1.635 -2.832 0.180) 3.275 2.289 ( -0.142 0.246 -2.466) 2.482 3.056 ( -6.471 11.208 1.312) 13.009 3.374 ( -4.971 8.609 4.346) 10.850 3.784 ( 4.658 -8.068 0.066) 9.316 5.507 ( -12.892 22.330 0.533) 25.790 5.762 ( 1.038 -1.798 -14.839) 14.983 5.993 ( -1.953 3.384 4.895) 6.263 6.966 ( 6.058 -10.493 2.345) 12.341 7.002 ( 8.393 -14.536 -4.892) 17.484 8.132 ( -4.675 8.098 -1.432) 9.460 8.600 ( 2.985 -5.170 3.047) 6.703 8.737 ( 4.968 -8.605 1.246) 10.014 10.637 ( -2.987 5.174 5.819) 8.339 14.781 ( 1.824 -3.160 -0.135) 3.651 15.699 ( -7.445 12.895 -17.441) 22.932 15.854 ( -7.707 13.350 6.488) 16.725 16.194 ( 0.707 -1.225 -10.567) 10.661 16.303 ( -3.138 5.436 0.188) 6.280 16.627 ( 1.067 -1.849 22.862) 22.961 17.123 ( 7.206 -12.482 6.323) 15.739 17.876 ( 0.012 -0.021 -10.640) 10.640 18.124 ( 5.156 -8.931 2.985) 10.736 19.111 ( -3.750 6.494 -1.022) 7.568 19.332 ( 1.050 -1.819 -0.016) 2.100 19.654 ( 0.193 -0.334 -4.317) 4.334 ======================= Grid point 624 (120/136) ======================= q-point: (-0.36 0.64 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( 4.163 7.211 -0.510) 8.342 1.899 ( -4.050 -7.014 0.305) 8.105 2.292 ( 0.146 0.252 -2.872) 2.886 3.169 ( 8.902 15.419 0.998) 17.832 3.577 ( -0.032 -0.055 2.457) 2.458 3.593 ( -4.251 -7.364 2.580) 8.885 5.721 ( -0.955 -1.654 -18.124) 18.224 5.820 ( 4.864 8.425 3.014) 10.185 5.980 ( -0.479 -0.829 4.805) 4.899 6.838 ( -1.969 -3.411 0.471) 3.966 6.857 ( -3.535 -6.123 -3.559) 7.915 8.338 ( 4.361 7.554 3.699) 9.474 8.361 ( 5.634 9.758 -1.867) 11.421 8.710 ( -10.927 -18.926 1.680) 21.919 10.689 ( 1.380 2.390 6.076) 6.673 14.749 ( -1.261 -2.185 -0.549) 2.581 15.888 ( 4.202 7.279 -13.978) 16.310 16.002 ( 2.955 5.118 6.167) 8.542 16.091 ( -3.186 -5.519 -8.217) 10.399 16.332 ( 7.274 12.599 2.467) 14.755 16.736 ( -1.513 -2.621 11.579) 11.968 16.914 ( -5.733 -9.930 9.527) 14.908 17.886 ( 1.763 3.053 -6.120) 7.063 18.022 ( -4.304 -7.455 -0.097) 8.609 19.195 ( 2.770 4.798 -0.964) 5.623 19.297 ( -1.521 -2.635 -0.268) 3.054 19.650 ( 0.127 0.220 -4.112) 4.120 ======================= Grid point 665 (121/136) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( 0.000 0.000 0.000) 0.000 0.848 ( 0.000 -0.000 0.000) 0.000 2.133 ( 0.000 -0.000 0.000) 0.000 2.133 ( 0.000 0.000 0.000) 0.000 3.138 ( 0.000 0.000 0.000) 0.000 3.153 ( 0.000 0.000 -0.000) 0.000 4.169 ( 0.000 0.000 0.000) 0.000 5.432 ( 0.000 0.000 0.000) 0.000 5.432 ( 0.000 -0.000 0.000) 0.000 8.315 ( 0.000 0.000 0.000) 0.000 8.620 ( 0.000 0.000 0.000) 0.000 8.947 ( 0.000 -0.000 0.000) 0.000 8.947 ( 0.000 0.000 0.000) 0.000 8.981 ( 0.000 -0.000 0.000) 0.000 8.981 ( 0.000 0.000 0.000) 0.000 14.001 ( 0.000 -0.000 0.000) 0.000 14.001 ( 0.000 -0.000 0.000) 0.000 15.151 ( 0.000 0.000 0.000) 0.000 15.151 ( 0.000 0.000 0.000) 0.000 16.208 ( 0.000 0.000 0.000) 0.000 16.208 ( 0.000 0.000 0.000) 0.000 17.654 ( 0.000 -0.000 0.000) 0.000 18.714 ( 0.000 0.000 0.000) 0.000 19.110 ( 0.000 0.000 -0.000) 0.000 19.219 ( 0.000 0.000 0.000) 0.000 19.219 ( 0.000 0.000 0.000) 0.000 19.682 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 667 (122/136) ======================= q-point: ( 0.09 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( 13.742 7.934 0.000) 15.868 1.332 ( 30.869 17.822 0.000) 35.644 2.128 ( -0.706 -0.408 0.000) 0.815 2.179 ( 4.159 2.401 0.000) 4.803 3.096 ( -2.675 -1.544 0.000) 3.089 3.150 ( 1.241 0.716 -0.000) 1.433 4.150 ( -1.712 -0.988 0.000) 1.976 5.460 ( 2.550 1.472 -0.000) 2.945 5.467 ( 2.767 1.597 0.000) 3.195 8.268 ( -3.951 -2.281 0.000) 4.563 8.411 ( -13.140 -7.587 0.000) 15.173 8.773 ( -8.766 -5.061 0.000) 10.122 8.832 ( -7.972 -4.603 0.000) 9.205 9.139 ( 7.363 4.251 0.000) 8.502 9.276 ( 17.978 10.380 0.000) 20.760 14.068 ( 5.817 3.359 0.000) 6.717 14.161 ( 13.526 7.809 0.000) 15.619 15.146 ( -0.408 -0.236 0.000) 0.472 15.216 ( 5.265 3.040 0.000) 6.080 16.186 ( -1.719 -0.992 0.000) 1.985 16.313 ( 8.999 5.195 0.000) 10.391 17.647 ( -0.670 -0.387 0.000) 0.774 18.723 ( 0.711 0.411 0.000) 0.821 19.063 ( -12.908 -7.452 0.000) 14.905 19.083 ( -2.754 -1.590 0.000) 3.180 19.227 ( 1.114 0.643 0.000) 1.286 19.686 ( -0.100 -0.058 0.000) 0.116 ======================= Grid point 669 (123/136) ======================= q-point: ( 0.18 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( 11.597 6.696 0.000) 13.392 1.892 ( 15.508 8.954 0.000) 17.907 2.103 ( -0.444 -0.256 0.000) 0.513 2.296 ( 3.851 2.223 -0.000) 4.447 3.072 ( 1.382 0.798 0.000) 1.595 3.354 ( 20.019 11.558 0.000) 23.116 4.092 ( -3.314 -1.913 0.000) 3.827 5.539 ( 3.132 1.809 -0.000) 3.617 5.552 ( 5.530 3.193 0.000) 6.386 8.088 ( -15.089 -8.712 0.000) 17.423 8.148 ( -6.203 -3.581 0.000) 7.163 8.563 ( -9.567 -5.524 0.000) 11.047 8.577 ( -14.145 -8.166 -0.000) 16.333 9.303 ( 6.938 4.006 0.000) 8.012 9.701 ( 18.154 10.481 0.000) 20.962 14.262 ( 11.048 6.378 0.000) 12.757 14.572 ( 21.215 12.248 0.000) 24.497 15.138 ( -0.145 -0.084 0.000) 0.168 15.356 ( 5.983 3.454 0.000) 6.908 16.153 ( -0.513 -0.296 0.000) 0.593 16.602 ( 15.755 9.096 0.000) 18.193 17.620 ( -1.846 -1.066 0.000) 2.131 18.668 ( -20.922 -12.079 0.000) 24.159 18.744 ( 0.910 0.526 0.000) 1.051 18.982 ( -5.725 -3.305 0.000) 6.611 19.272 ( 2.578 1.488 0.000) 2.977 19.665 ( -1.751 -1.011 0.000) 2.022 ======================= Grid point 671 (124/136) ======================= q-point: ( 0.27 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( -0.041 -0.024 0.000) 0.047 2.115 ( 6.073 3.506 -0.000) 7.013 2.170 ( 6.272 3.621 0.000) 7.242 2.294 ( -2.764 -1.596 -0.000) 3.192 3.160 ( 5.678 3.278 0.000) 6.556 4.006 ( -3.974 -2.294 0.000) 4.589 4.016 ( 34.206 19.749 -0.000) 39.498 5.599 ( 2.131 1.231 0.000) 2.461 5.709 ( 7.994 4.615 0.000) 9.231 7.728 ( -16.223 -9.366 0.000) 18.733 8.005 ( -5.863 -3.385 0.000) 6.770 8.202 ( -18.371 -10.607 0.000) 21.213 8.342 ( -9.554 -5.516 0.000) 11.032 9.452 ( 6.039 3.487 0.000) 6.974 10.071 ( 13.874 8.010 0.000) 16.020 14.564 ( 15.191 8.771 0.000) 17.541 15.063 ( 18.354 10.597 0.000) 21.194 15.150 ( 3.585 2.070 0.000) 4.139 15.444 ( 1.258 0.726 0.000) 1.452 16.188 ( 3.626 2.094 0.000) 4.187 16.994 ( 17.495 10.101 0.000) 20.202 17.559 ( -3.486 -2.012 0.000) 4.025 18.148 ( -23.663 -13.662 0.000) 27.324 18.727 ( -4.027 -2.325 0.000) 4.650 18.875 ( -1.611 -0.930 0.000) 1.860 19.330 ( 2.227 1.286 0.000) 2.571 19.613 ( -2.599 -1.501 0.000) 3.001 ======================= Grid point 673 (125/136) ======================= q-point: ( 0.36 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( -2.321 -1.340 0.000) 2.680 2.167 ( -1.912 -1.104 0.000) 2.208 2.271 ( 2.157 1.245 0.000) 2.491 2.326 ( 6.286 3.629 0.000) 7.258 3.288 ( 4.636 2.676 0.000) 5.353 3.928 ( -2.468 -1.425 0.000) 2.850 4.796 ( 32.669 18.861 0.000) 37.723 5.636 ( 1.069 0.617 0.000) 1.234 5.892 ( 7.075 4.085 0.000) 8.170 7.372 ( -13.983 -8.073 0.000) 16.146 7.762 ( -19.542 -11.283 0.000) 22.565 7.899 ( -3.136 -1.811 0.000) 3.622 8.138 ( -8.083 -4.667 0.000) 9.334 9.571 ( 4.231 2.443 0.000) 4.886 10.325 ( 8.306 4.795 0.000) 9.591 14.938 ( 17.010 9.821 0.000) 19.641 15.142 ( 0.509 0.294 0.000) 0.588 15.430 ( -1.776 -1.026 0.000) 2.051 15.526 ( 16.585 9.575 0.000) 19.151 16.272 ( 2.106 1.216 0.000) 2.432 17.343 ( 11.997 6.926 0.000) 13.853 17.460 ( -5.192 -2.998 0.000) 5.996 17.652 ( -17.959 -10.368 0.000) 20.737 18.593 ( -5.797 -3.347 0.000) 6.694 18.899 ( 2.393 1.382 0.000) 2.763 19.365 ( 0.714 0.412 0.000) 0.824 19.556 ( -2.198 -1.269 0.000) 2.538 ======================= Grid point 675 (126/136) ======================= q-point: ( 0.45 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( -0.714 -0.412 0.000) 0.825 2.120 ( -1.300 -0.750 0.000) 1.501 2.319 ( 1.253 0.723 0.000) 1.447 2.430 ( 2.492 1.439 0.000) 2.878 3.349 ( 0.904 0.522 0.000) 1.043 3.900 ( -0.219 -0.126 0.000) 0.253 5.432 ( 20.234 11.682 0.000) 23.365 5.651 ( 0.296 0.171 0.000) 0.342 5.959 ( -2.287 -1.321 0.000) 2.641 7.169 ( -1.916 -1.106 0.000) 2.212 7.360 ( -13.833 -7.986 0.000) 15.973 7.867 ( 0.111 0.064 0.000) 0.128 7.991 ( -4.205 -2.428 0.000) 4.855 9.638 ( 1.533 0.885 0.000) 1.770 10.450 ( 2.733 1.578 0.000) 3.156 15.150 ( 0.204 0.118 0.000) 0.235 15.280 ( 10.503 6.064 0.000) 12.127 15.392 ( -1.117 -0.645 0.000) 1.289 15.801 ( 6.598 3.809 0.000) 7.619 16.241 ( -3.552 -2.051 0.000) 4.102 17.342 ( -3.209 -1.853 -0.000) 3.706 17.400 ( -4.893 -2.825 -0.000) 5.650 17.515 ( 3.290 1.899 0.000) 3.799 18.504 ( -1.815 -1.048 0.000) 2.096 18.951 ( 1.530 0.883 0.000) 1.767 19.367 ( -0.195 -0.113 0.000) 0.225 19.520 ( -0.849 -0.490 0.000) 0.980 ======================= Grid point 689 (127/136) ======================= q-point: ( 0.09 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( 9.884 17.120 -8.303) 21.442 1.730 ( 8.014 13.881 10.682) 19.262 2.150 ( 2.066 3.579 -14.432) 15.012 2.261 ( 3.604 6.243 10.925) 13.089 3.043 ( -1.384 -2.397 6.969) 7.499 3.270 ( 8.220 14.237 -5.781) 17.427 4.110 ( -1.749 -3.029 0.367) 3.516 5.517 ( 1.750 3.031 5.236) 6.298 5.522 ( 2.807 4.861 -5.621) 7.944 8.184 ( -4.139 -7.170 -6.142) 10.308 8.192 ( -7.142 -12.370 5.265) 15.223 8.477 ( -9.706 -16.812 3.427) 19.713 8.888 ( -0.751 -1.301 -1.644) 2.227 9.126 ( 0.530 0.919 -2.707) 2.907 9.625 ( 11.564 20.029 1.297) 23.164 14.191 ( 5.246 9.086 12.097) 16.013 14.454 ( 11.898 20.609 -12.011) 26.656 15.122 ( -1.082 -1.874 -1.319) 2.534 15.341 ( 5.056 8.757 1.625) 10.241 16.152 ( -1.123 -1.946 1.021) 2.468 16.511 ( 8.263 14.312 -1.325) 16.579 17.630 ( -0.862 -1.493 -0.008) 1.724 18.720 ( -2.938 -5.088 3.157) 6.670 18.812 ( -7.361 -12.749 -0.413) 14.727 19.012 ( -3.306 -5.727 -2.630) 7.117 19.257 ( 1.367 2.367 -1.726) 3.233 19.675 ( -0.734 -1.271 1.846) 2.359 ======================= Grid point 691 (128/136) ======================= q-point: ( 0.18 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( -1.971 12.962 -4.461) 13.849 1.858 ( 11.145 -6.772 -1.979) 13.190 2.234 ( 1.117 4.924 -4.623) 6.846 2.382 ( -0.683 9.432 11.048) 14.542 3.060 ( 5.759 -0.553 3.465) 6.743 3.760 ( 22.720 27.662 -2.314) 35.871 4.035 ( -2.885 -3.763 1.042) 4.855 5.571 ( 1.880 1.195 6.211) 6.598 5.652 ( 5.499 6.872 -6.615) 11.011 7.880 ( -13.167 -12.091 -2.774) 18.090 8.058 ( -4.753 -5.083 2.132) 7.278 8.136 ( -7.412 -22.490 3.078) 23.879 8.727 ( -18.881 7.742 -2.332) 20.539 9.227 ( 13.333 -8.856 -1.826) 16.110 10.004 ( 10.425 17.161 0.487) 20.085 14.424 ( 10.755 10.066 14.926) 20.971 14.919 ( 16.371 21.620 -14.455) 30.731 15.082 ( 0.509 -4.774 -1.294) 4.972 15.515 ( 2.071 11.431 2.620) 11.909 16.138 ( 2.050 -0.827 0.909) 2.390 16.849 ( 13.218 15.052 -2.857) 20.234 17.584 ( -2.192 -2.655 -0.104) 3.445 18.323 ( -17.114 -21.479 4.521) 27.833 18.782 ( -1.977 2.377 -1.763) 3.559 18.876 ( -2.968 -7.010 -3.367) 8.324 19.311 ( 1.946 2.298 -1.392) 3.317 19.636 ( -1.843 -1.841 2.984) 3.961 ======================= Grid point 693 (129/136) ======================= q-point: ( 0.27 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( -7.056 3.843 -1.773) 8.228 2.026 ( 10.612 -3.441 -5.321) 12.361 2.258 ( -0.175 -0.673 0.882) 1.123 2.455 ( -4.150 15.460 6.563) 17.300 3.205 ( 8.754 2.296 1.323) 9.146 3.942 ( -2.782 -3.961 2.468) 5.434 4.487 ( 28.274 26.269 -0.235) 38.594 5.602 ( 1.720 -1.097 6.328) 6.649 5.833 ( 6.635 7.706 -6.358) 11.993 7.518 ( -14.525 -11.839 -1.998) 18.845 7.775 ( -8.009 -23.493 0.867) 24.835 7.947 ( -3.765 -1.983 3.223) 5.338 8.455 ( -20.909 7.963 -2.492) 22.512 9.363 ( 13.297 -10.721 -1.643) 17.159 10.302 ( 6.442 13.313 0.060) 14.790 14.749 ( 15.130 10.111 15.905) 24.169 15.038 ( 2.203 -7.714 -0.794) 8.061 15.403 ( 14.732 19.464 -15.257) 28.786 15.604 ( -5.356 12.824 3.630) 14.363 16.212 ( 5.547 0.478 1.467) 5.758 17.211 ( 12.464 10.630 -7.657) 18.082 17.500 ( -3.731 -4.120 -0.380) 5.571 17.813 ( -17.049 -18.689 6.916) 26.225 18.647 ( -6.823 -6.923 -4.113) 10.555 18.881 ( 2.440 2.685 -0.846) 3.725 19.357 ( 1.077 1.227 -1.133) 1.988 19.583 ( -2.221 -1.359 3.290) 4.196 ======================= Grid point 695 (130/136) ======================= q-point: ( 0.36 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( -4.626 4.135 -1.600) 6.407 2.100 ( 2.498 -3.169 -1.122) 4.188 2.267 ( 2.620 -1.229 1.551) 3.284 2.531 ( -4.504 13.897 1.285) 14.665 3.353 ( 3.466 4.609 1.355) 5.924 3.875 ( -0.064 -4.054 2.700) 4.871 5.183 ( 24.969 18.979 1.383) 31.394 5.612 ( 1.749 -2.828 6.258) 7.086 5.987 ( 1.830 5.041 -5.672) 7.806 7.198 ( -8.049 -9.639 -1.576) 12.656 7.411 ( -8.855 -19.355 -0.678) 21.295 7.906 ( -1.538 3.249 3.145) 4.776 8.198 ( -16.553 6.270 -2.167) 17.833 9.460 ( 11.066 -12.209 -1.722) 16.568 10.483 ( 1.466 9.713 -0.066) 9.823 15.005 ( 4.152 -9.753 -0.389) 10.607 15.112 ( 15.241 8.124 17.088) 24.296 15.602 ( -8.497 13.646 3.021) 16.357 15.787 ( 7.777 15.655 -15.013) 23.042 16.261 ( -0.741 -2.027 2.719) 3.471 17.342 ( -1.984 -10.143 -14.980) 18.199 17.389 ( -2.927 -5.665 -4.119) 7.591 17.541 ( -0.477 4.363 15.002) 15.631 18.489 ( -2.313 -7.691 -3.960) 8.954 18.956 ( 1.464 4.649 -0.532) 4.903 19.369 ( -0.146 -0.086 -0.982) 0.997 19.540 ( -1.689 -0.234 3.308) 3.722 ======================= Grid point 697 (131/136) ======================= q-point: ( 0.45 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( -2.963 5.133 -1.453) 6.102 2.099 ( 0.952 -1.649 0.695) 2.027 2.289 ( 1.837 -3.182 1.216) 3.871 2.563 ( -6.623 11.472 -0.654) 13.263 3.404 ( -2.664 4.614 2.326) 5.813 3.857 ( 2.409 -4.173 2.133) 5.270 5.589 ( 3.161 -5.475 8.999) 10.997 5.591 ( -1.687 2.921 0.159) 3.377 5.978 ( -2.175 3.768 -5.661) 7.140 7.133 ( 2.272 -3.935 -5.301) 6.981 7.160 ( 5.141 -8.904 1.815) 10.441 7.934 ( -3.545 6.141 3.914) 8.099 8.060 ( -4.777 8.274 -2.782) 9.951 9.495 ( 8.062 -13.965 -1.775) 16.222 10.544 ( -3.757 6.507 -0.081) 7.514 14.992 ( 5.730 -9.924 -0.224) 11.462 15.321 ( 0.671 -1.162 18.430) 18.479 15.590 ( -8.083 14.000 4.422) 16.760 15.946 ( -5.394 9.343 -17.631) 20.670 16.201 ( 0.722 -1.251 3.089) 3.410 17.284 ( 4.255 -7.370 -9.307) 12.611 17.298 ( 1.614 -2.796 -1.709) 3.652 17.586 ( -2.438 4.223 5.976) 7.713 18.431 ( 3.524 -6.103 -3.747) 7.982 18.998 ( -2.093 3.625 -0.483) 4.214 19.364 ( 0.166 -0.288 -0.953) 1.009 19.524 ( -0.482 0.835 3.335) 3.472 ======================= Grid point 715 (132/136) ======================= q-point: ( 0.18 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( -2.454 -4.251 -2.230) 5.391 1.858 ( 4.905 8.496 -5.167) 11.089 2.256 ( -0.411 -0.712 0.880) 1.204 2.614 ( 6.560 11.362 7.143) 14.938 3.099 ( 3.087 5.347 2.363) 6.611 3.949 ( -2.686 -4.652 2.770) 6.044 4.372 ( 18.869 32.682 -0.269) 37.738 5.579 ( -0.245 -0.424 8.009) 8.024 5.815 ( 5.353 9.271 -8.179) 13.473 7.615 ( -8.658 -14.996 -5.306) 18.111 7.691 ( -12.567 -21.766 3.638) 25.396 7.971 ( -1.829 -3.167 4.000) 5.420 8.818 ( -1.330 -2.303 -3.323) 4.256 9.050 ( -2.791 -4.835 -1.661) 5.825 10.318 ( 8.070 13.977 -0.066) 16.139 14.663 ( 8.179 14.166 20.492) 26.220 14.977 ( -3.017 -5.225 -0.771) 6.082 15.377 ( 13.531 23.436 -19.375) 33.282 15.743 ( 5.677 9.832 5.626) 12.671 16.143 ( 1.233 2.136 0.571) 2.532 17.154 ( 8.261 14.308 -9.341) 18.979 17.511 ( -2.774 -4.805 -0.498) 5.571 17.865 ( -13.393 -23.197 8.793) 28.192 18.677 ( -6.198 -10.735 -6.057) 13.797 18.871 ( 2.667 4.619 -0.942) 5.416 19.354 ( 0.988 1.712 -1.688) 2.600 19.597 ( -1.148 -1.989 4.626) 5.165 ======================= Grid point 717 (133/136) ======================= q-point: ( 0.27 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( -4.497 3.240 -2.560) 6.105 1.990 ( 5.402 -1.223 -1.523) 5.744 2.237 ( -0.163 -1.242 3.210) 3.446 2.784 ( -3.334 17.238 1.422) 17.615 3.272 ( 10.112 4.611 1.922) 11.278 3.855 ( -2.783 -4.854 4.094) 6.933 5.002 ( 20.208 24.666 2.678) 31.999 5.562 ( 0.412 -2.383 8.246) 8.593 5.995 ( 4.543 7.998 -7.849) 12.092 7.251 ( -12.549 -16.245 0.924) 20.548 7.345 ( -6.521 -18.016 -3.959) 19.565 7.954 ( 0.218 3.230 4.156) 5.268 8.603 ( -21.098 6.634 -3.185) 22.344 9.083 ( 14.338 -16.726 -2.082) 22.128 10.544 ( 3.971 10.537 -0.407) 11.268 14.886 ( -0.369 -6.959 -0.197) 6.972 14.975 ( 11.992 13.007 22.299) 28.464 15.807 ( 10.546 20.155 -20.558) 30.661 15.851 ( -4.231 9.770 9.052) 13.975 16.225 ( 4.035 1.688 1.296) 4.562 17.268 ( -3.212 -10.712 -20.955) 23.753 17.394 ( -4.109 -6.713 -1.466) 8.006 17.578 ( -0.096 1.788 16.058) 16.158 18.456 ( -5.587 -11.710 -6.311) 14.428 18.977 ( 2.884 6.364 -0.775) 7.030 19.371 ( -0.075 -0.037 -1.614) 1.616 19.562 ( -1.184 -0.735 5.041) 5.230 ======================= Grid point 719 (134/136) ======================= q-point: ( 0.36 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( -4.216 6.645 -1.852) 8.085 2.029 ( 3.452 -4.835 -0.016) 5.940 2.232 ( 1.069 -1.703 3.568) 4.096 2.853 ( -8.553 18.065 -1.015) 20.013 3.469 ( 4.398 6.511 2.783) 8.336 3.764 ( -0.110 -7.288 3.559) 8.111 5.440 ( 8.908 1.074 11.050) 14.234 5.612 ( 5.822 8.971 2.063) 10.892 6.067 ( -3.144 2.274 -5.718) 6.910 6.988 ( 0.180 -11.047 0.643) 11.068 7.091 ( -4.371 -12.019 -6.179) 14.203 8.046 ( 1.565 10.972 3.682) 11.678 8.319 ( -17.172 5.424 -2.834) 18.229 9.144 ( 12.797 -18.768 -2.450) 22.847 10.659 ( -0.872 7.374 -0.517) 7.444 14.834 ( 2.447 -7.010 0.154) 7.427 15.281 ( 7.769 9.328 23.210) 26.193 15.825 ( -6.076 5.006 13.002) 15.200 16.098 ( 2.185 14.828 -20.628) 25.498 16.237 ( -4.534 2.062 -0.473) 5.004 17.122 ( 3.549 -9.787 -11.126) 15.237 17.253 ( -2.566 -7.944 -3.237) 8.954 17.668 ( -0.216 7.214 3.932) 8.219 18.293 ( 1.121 -11.519 -5.586) 12.851 19.073 ( -0.106 6.632 -0.785) 6.680 19.356 ( -0.266 -1.416 -1.483) 2.067 19.544 ( -0.785 0.428 5.054) 5.133 ======================= Grid point 739 (135/136) ======================= q-point: ( 0.27 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( 2.205 3.819 -2.060) 4.867 1.948 ( -1.730 -2.996 -0.050) 3.459 2.217 ( -0.354 -0.612 4.500) 4.555 3.084 ( 6.561 11.363 -1.460) 13.202 3.394 ( 4.690 8.124 2.647) 9.747 3.744 ( -3.807 -6.594 4.192) 8.691 5.360 ( 3.701 6.410 11.930) 14.039 5.602 ( 6.696 11.598 2.823) 13.687 6.106 ( 0.874 1.514 -5.560) 5.829 6.932 ( -6.970 -12.072 1.459) 14.016 7.067 ( -6.696 -11.598 -7.406) 15.304 8.087 ( 5.929 10.269 3.073) 12.249 8.688 ( -2.644 -4.579 -5.409) 7.564 8.748 ( -5.838 -10.111 0.147) 11.676 10.704 ( 3.208 5.556 -0.727) 6.457 14.777 ( -2.222 -3.848 0.264) 4.451 15.258 ( 8.724 15.111 23.782) 29.496 15.889 ( -3.191 -5.526 17.910) 19.013 16.164 ( 8.239 14.271 -22.417) 27.822 16.308 ( 3.115 5.395 -0.235) 6.234 17.027 ( -4.572 -7.918 -13.348) 16.179 17.235 ( -5.221 -9.044 -3.540) 11.027 17.712 ( 4.572 7.918 2.939) 9.604 18.216 ( -6.746 -11.684 -5.999) 14.765 19.111 ( 3.810 6.599 -0.897) 7.673 19.350 ( -1.217 -2.108 -1.590) 2.908 19.553 ( -0.123 -0.214 5.456) 5.462 ======================= Grid point 741 (136/136) ======================= q-point: ( 0.36 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( -4.229 7.325 -1.239) 8.549 1.904 ( 4.074 -7.056 -0.343) 8.154 2.212 ( 0.229 -0.397 4.889) 4.910 3.194 ( -8.186 14.179 -1.428) 16.434 3.572 ( -0.486 0.843 3.292) 3.433 3.594 ( 3.941 -6.825 2.834) 8.375 5.380 ( 1.604 -2.779 14.163) 14.522 5.832 ( -5.367 9.296 1.903) 10.901 6.051 ( 2.082 -3.607 -1.362) 4.382 6.842 ( 1.483 -2.568 -2.641) 3.971 6.916 ( 3.353 -5.807 -7.020) 9.708 8.306 ( -6.552 11.348 3.425) 13.544 8.421 ( -4.558 7.894 -3.606) 9.803 8.752 ( 11.535 -19.980 -2.717) 23.230 10.760 ( -1.517 2.628 -0.826) 3.145 14.739 ( 1.423 -2.464 0.422) 2.876 15.478 ( -5.602 9.702 23.721) 26.234 15.757 ( 4.698 -8.138 21.259) 23.243 16.319 ( -3.358 5.816 -23.780) 24.710 16.362 ( -4.039 6.996 -0.570) 8.098 16.996 ( 1.438 -2.490 -9.672) 10.090 17.095 ( 3.830 -6.635 -6.270) 9.899 17.821 ( -4.565 7.907 -0.946) 9.179 18.065 ( 5.974 -10.347 -4.664) 12.826 19.197 ( -3.017 5.225 -1.068) 6.127 19.310 ( 1.737 -3.008 -1.431) 3.757 19.552 ( -0.149 0.258 5.452) 5.460 =================== 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 3/32670 10.0 641.334 641.334 213.239 -0.000 0.000 -0.000 3/32670 20.0 180.064 180.064 58.657 -0.000 0.000 0.000 3/32670 30.0 85.497 85.497 28.670 -0.000 0.000 0.000 3/32670 40.0 56.600 56.600 19.663 -0.000 0.000 0.000 3/32670 50.0 42.960 42.960 15.269 -0.000 0.000 0.000 3/32670 60.0 34.925 34.925 12.602 -0.000 0.000 0.000 3/32670 70.0 29.604 29.604 10.791 -0.000 -0.000 0.000 3/32670 80.0 25.805 25.805 9.471 -0.000 -0.000 0.000 3/32670 90.0 22.934 22.934 8.460 -0.000 -0.000 0.000 3/32670 100.0 20.668 20.668 7.656 -0.000 -0.000 0.000 3/32670 110.0 18.820 18.820 6.999 -0.000 -0.000 0.000 3/32670 120.0 17.274 17.274 6.452 -0.000 -0.000 0.000 3/32670 130.0 15.957 15.957 5.989 -0.000 -0.000 0.000 3/32670 140.0 14.821 14.821 5.592 -0.000 -0.000 0.000 3/32670 150.0 13.830 13.830 5.248 -0.000 -0.000 0.000 3/32670 160.0 12.958 12.958 4.946 -0.000 -0.000 0.000 3/32670 170.0 12.186 12.186 4.680 -0.000 -0.000 0.000 3/32670 180.0 11.498 11.498 4.443 -0.000 -0.000 0.000 3/32670 190.0 10.881 10.881 4.230 -0.000 -0.000 0.000 3/32670 200.0 10.326 10.326 4.038 -0.000 -0.000 0.000 3/32670 210.0 9.823 9.823 3.864 -0.000 -0.000 0.000 3/32670 220.0 9.367 9.367 3.705 -0.000 -0.000 0.000 3/32670 230.0 8.950 8.950 3.559 -0.000 -0.000 0.000 3/32670 240.0 8.569 8.569 3.424 -0.000 -0.000 0.000 3/32670 250.0 8.218 8.218 3.300 -0.000 -0.000 0.000 3/32670 260.0 7.896 7.896 3.185 -0.000 -0.000 0.000 3/32670 270.0 7.597 7.597 3.078 -0.000 -0.000 0.000 3/32670 280.0 7.320 7.320 2.977 -0.000 -0.000 0.000 3/32670 290.0 7.063 7.063 2.884 -0.000 -0.000 0.000 3/32670 300.0 6.823 6.823 2.796 -0.000 -0.000 0.000 3/32670 310.0 6.599 6.599 2.713 -0.000 -0.000 0.000 3/32670 320.0 6.390 6.390 2.635 -0.000 -0.000 0.000 3/32670 330.0 6.193 6.193 2.561 -0.000 -0.000 0.000 3/32670 340.0 6.008 6.008 2.492 -0.000 -0.000 0.000 3/32670 350.0 5.834 5.834 2.426 -0.000 -0.000 0.000 3/32670 360.0 5.670 5.670 2.364 -0.000 -0.000 0.000 3/32670 370.0 5.514 5.514 2.304 -0.000 -0.000 0.000 3/32670 380.0 5.367 5.367 2.248 -0.000 -0.000 0.000 3/32670 390.0 5.228 5.228 2.194 -0.000 -0.000 0.000 3/32670 400.0 5.096 5.096 2.143 -0.000 -0.000 0.000 3/32670 410.0 4.970 4.970 2.094 -0.000 -0.000 0.000 3/32670 420.0 4.851 4.851 2.047 -0.000 -0.000 0.000 3/32670 430.0 4.737 4.737 2.002 -0.000 -0.000 0.000 3/32670 440.0 4.628 4.628 1.959 -0.000 -0.000 0.000 3/32670 450.0 4.525 4.525 1.918 -0.000 -0.000 0.000 3/32670 460.0 4.425 4.425 1.878 -0.000 -0.000 0.000 3/32670 470.0 4.330 4.330 1.841 -0.000 -0.000 0.000 3/32670 480.0 4.240 4.240 1.804 -0.000 -0.000 0.000 3/32670 490.0 4.152 4.152 1.769 -0.000 -0.000 0.000 3/32670 500.0 4.069 4.069 1.735 -0.000 -0.000 0.000 3/32670 510.0 3.989 3.989 1.703 -0.000 -0.000 0.000 3/32670 520.0 3.911 3.911 1.672 -0.000 -0.000 0.000 3/32670 530.0 3.837 3.837 1.642 -0.000 -0.000 0.000 3/32670 540.0 3.766 3.766 1.612 -0.000 -0.000 0.000 3/32670 550.0 3.697 3.697 1.584 -0.000 -0.000 0.000 3/32670 560.0 3.630 3.630 1.557 -0.000 -0.000 0.000 3/32670 570.0 3.566 3.566 1.531 -0.000 -0.000 0.000 3/32670 580.0 3.505 3.505 1.506 -0.000 -0.000 0.000 3/32670 590.0 3.445 3.445 1.481 -0.000 -0.000 0.000 3/32670 600.0 3.387 3.387 1.457 -0.000 -0.000 0.000 3/32670 610.0 3.332 3.332 1.434 -0.000 -0.000 0.000 3/32670 620.0 3.278 3.278 1.412 -0.000 -0.000 0.000 3/32670 630.0 3.225 3.225 1.390 -0.000 -0.000 0.000 3/32670 640.0 3.175 3.175 1.369 -0.000 -0.000 0.000 3/32670 650.0 3.126 3.126 1.349 -0.000 -0.000 0.000 3/32670 660.0 3.078 3.078 1.329 -0.000 -0.000 0.000 3/32670 670.0 3.032 3.032 1.310 -0.000 -0.000 0.000 3/32670 680.0 2.987 2.987 1.291 -0.000 -0.000 0.000 3/32670 690.0 2.944 2.944 1.273 -0.000 -0.000 0.000 3/32670 700.0 2.902 2.902 1.255 -0.000 -0.000 0.000 3/32670 710.0 2.861 2.861 1.238 -0.000 -0.000 0.000 3/32670 720.0 2.821 2.821 1.221 -0.000 -0.000 0.000 3/32670 730.0 2.782 2.782 1.205 -0.000 -0.000 0.000 3/32670 740.0 2.745 2.745 1.189 -0.000 -0.000 0.000 3/32670 750.0 2.708 2.708 1.174 -0.000 -0.000 0.000 3/32670 760.0 2.672 2.672 1.159 -0.000 -0.000 0.000 3/32670 770.0 2.637 2.637 1.144 -0.000 -0.000 0.000 3/32670 780.0 2.604 2.604 1.130 -0.000 -0.000 0.000 3/32670 790.0 2.570 2.570 1.116 -0.000 -0.000 0.000 3/32670 800.0 2.538 2.538 1.102 -0.000 -0.000 0.000 3/32670 810.0 2.507 2.507 1.089 -0.000 -0.000 0.000 3/32670 820.0 2.476 2.476 1.076 -0.000 -0.000 0.000 3/32670 830.0 2.446 2.446 1.063 -0.000 -0.000 0.000 3/32670 840.0 2.417 2.417 1.051 -0.000 -0.000 0.000 3/32670 850.0 2.389 2.389 1.038 -0.000 -0.000 0.000 3/32670 860.0 2.361 2.361 1.027 -0.000 -0.000 0.000 3/32670 870.0 2.334 2.334 1.015 -0.000 -0.000 0.000 3/32670 880.0 2.307 2.307 1.004 -0.000 -0.000 0.000 3/32670 890.0 2.281 2.281 0.993 -0.000 -0.000 0.000 3/32670 900.0 2.256 2.256 0.982 -0.000 -0.000 0.000 3/32670 910.0 2.231 2.231 0.971 -0.000 -0.000 0.000 3/32670 920.0 2.207 2.207 0.961 -0.000 -0.000 0.000 3/32670 930.0 2.183 2.183 0.951 -0.000 -0.000 0.000 3/32670 940.0 2.160 2.160 0.941 -0.000 -0.000 0.000 3/32670 950.0 2.137 2.137 0.931 -0.000 -0.000 0.000 3/32670 960.0 2.115 2.115 0.921 -0.000 -0.000 0.000 3/32670 970.0 2.093 2.093 0.912 -0.000 -0.000 0.000 3/32670 980.0 2.071 2.071 0.903 -0.000 -0.000 0.000 3/32670 990.0 2.051 2.051 0.894 -0.000 -0.000 0.000 3/32670 1000.0 2.030 2.030 0.885 -0.000 -0.000 0.000 3/32670 Thermal conductivity related properties were written into "kappa-m111110.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:18:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|