----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 10:46:48]------------------------- 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: [3 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3m1 (164) Number of symmetry operations in supercell: 108 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.851720660068691 0.000000000000000 0.000000000000000 b -1.925860330034346 3.335687939900851 0.000000000000000 c 0.000000000000000 0.000000000000000 9.610964820000000 Atomic positions (fractional): *1 O 0.66666666666667 0.33333333333333 0.58027232390749 15.999 2 O 0.33333333333333 0.66666666666667 0.41972767609251 15.999 *3 O 0.66666666666667 0.33333333333333 0.95359131983192 15.999 4 O 0.33333333333333 0.66666666666667 0.04640868016808 15.999 *5 O 0.00000000000000 0.00000000000000 0.21097122216322 15.999 6 O 0.00000000000000 0.00000000000000 0.78902877783678 15.999 *7 Bi 0.66666666666667 0.33333333333333 0.34190328247004 208.980 8 Bi 0.33333333333333 0.66666666666667 0.65809671752996 208.980 *9 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.851720660068691 0.000000000000000 0.000000000000000 b -1.925860330034346 3.335687939900851 0.000000000000000 c 0.000000000000000 0.000000000000000 9.610964820000000 Atomic positions (fractional): *1 O 0.66666666666667 0.33333333333333 0.58027232390749 15.999 > 1 2 O 0.33333333333333 0.66666666666667 0.41972767609251 15.999 > 2 *3 O 0.66666666666667 0.33333333333333 0.95359131983192 15.999 > 3 4 O 0.33333333333333 0.66666666666667 0.04640868016808 15.999 > 4 *5 O 0.00000000000000 0.00000000000000 0.21097122216322 15.999 > 5 6 O 0.00000000000000 0.00000000000000 0.78902877783678 15.999 > 6 *7 Bi 0.66666666666667 0.33333333333333 0.34190328247004 208.980 > 7 8 Bi 0.33333333333333 0.66666666666667 0.65809671752996 208.980 > 8 *9 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 > 9 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.555161980206073 0.000000000000000 0.000000000000000 b -5.777580990103038 10.007063819702553 0.000000000000000 c 0.000000000000000 0.000000000000000 9.610964820000000 Atomic positions (fractional): *1 O 0.22222222222222 0.11111111111111 0.58027232390749 15.999 > 1 2 O 0.55555555555556 0.11111111111111 0.58027232390749 15.999 > 1 3 O 0.88888888888889 0.11111111111111 0.58027232390749 15.999 > 1 4 O 0.22222222222222 0.44444444444444 0.58027232390749 15.999 > 1 5 O 0.55555555555556 0.44444444444444 0.58027232390749 15.999 > 1 6 O 0.88888888888889 0.44444444444444 0.58027232390749 15.999 > 1 7 O 0.22222222222222 0.77777777777778 0.58027232390749 15.999 > 1 8 O 0.55555555555556 0.77777777777778 0.58027232390749 15.999 > 1 9 O 0.88888888888889 0.77777777777778 0.58027232390749 15.999 > 1 10 O 0.11111111111111 0.22222222222222 0.41972767609251 15.999 > 2 11 O 0.44444444444444 0.22222222222222 0.41972767609251 15.999 > 2 12 O 0.77777777777778 0.22222222222222 0.41972767609251 15.999 > 2 13 O 0.11111111111111 0.55555555555556 0.41972767609251 15.999 > 2 14 O 0.44444444444444 0.55555555555556 0.41972767609251 15.999 > 2 15 O 0.77777777777778 0.55555555555556 0.41972767609251 15.999 > 2 16 O 0.11111111111111 0.88888888888889 0.41972767609251 15.999 > 2 17 O 0.44444444444444 0.88888888888889 0.41972767609251 15.999 > 2 18 O 0.77777777777778 0.88888888888889 0.41972767609251 15.999 > 2 *19 O 0.22222222222222 0.11111111111111 0.95359131983192 15.999 > 3 20 O 0.55555555555556 0.11111111111111 0.95359131983192 15.999 > 3 21 O 0.88888888888889 0.11111111111111 0.95359131983192 15.999 > 3 22 O 0.22222222222222 0.44444444444444 0.95359131983192 15.999 > 3 23 O 0.55555555555556 0.44444444444444 0.95359131983192 15.999 > 3 24 O 0.88888888888889 0.44444444444444 0.95359131983192 15.999 > 3 25 O 0.22222222222222 0.77777777777778 0.95359131983192 15.999 > 3 26 O 0.55555555555556 0.77777777777778 0.95359131983192 15.999 > 3 27 O 0.88888888888889 0.77777777777778 0.95359131983192 15.999 > 3 28 O 0.11111111111111 0.22222222222222 0.04640868016808 15.999 > 4 29 O 0.44444444444444 0.22222222222222 0.04640868016808 15.999 > 4 30 O 0.77777777777778 0.22222222222222 0.04640868016808 15.999 > 4 31 O 0.11111111111111 0.55555555555556 0.04640868016808 15.999 > 4 32 O 0.44444444444444 0.55555555555556 0.04640868016808 15.999 > 4 33 O 0.77777777777778 0.55555555555556 0.04640868016808 15.999 > 4 34 O 0.11111111111111 0.88888888888889 0.04640868016808 15.999 > 4 35 O 0.44444444444444 0.88888888888889 0.04640868016808 15.999 > 4 36 O 0.77777777777778 0.88888888888889 0.04640868016808 15.999 > 4 *37 O 0.00000000000000 0.00000000000000 0.21097122216322 15.999 > 5 38 O 0.33333333333333 0.00000000000000 0.21097122216322 15.999 > 5 39 O 0.66666666666667 0.00000000000000 0.21097122216322 15.999 > 5 40 O 0.00000000000000 0.33333333333333 0.21097122216322 15.999 > 5 41 O 0.33333333333333 0.33333333333333 0.21097122216322 15.999 > 5 42 O 0.66666666666667 0.33333333333333 0.21097122216322 15.999 > 5 43 O 0.00000000000000 0.66666666666667 0.21097122216322 15.999 > 5 44 O 0.33333333333333 0.66666666666667 0.21097122216322 15.999 > 5 45 O 0.66666666666667 0.66666666666667 0.21097122216322 15.999 > 5 46 O 0.00000000000000 0.00000000000000 0.78902877783678 15.999 > 6 47 O 0.33333333333333 0.00000000000000 0.78902877783678 15.999 > 6 48 O 0.66666666666667 0.00000000000000 0.78902877783678 15.999 > 6 49 O 0.00000000000000 0.33333333333333 0.78902877783678 15.999 > 6 50 O 0.33333333333333 0.33333333333333 0.78902877783678 15.999 > 6 51 O 0.66666666666667 0.33333333333333 0.78902877783678 15.999 > 6 52 O 0.00000000000000 0.66666666666667 0.78902877783678 15.999 > 6 53 O 0.33333333333333 0.66666666666667 0.78902877783678 15.999 > 6 54 O 0.66666666666667 0.66666666666667 0.78902877783678 15.999 > 6 *55 Bi 0.22222222222222 0.11111111111111 0.34190328247004 208.980 > 7 56 Bi 0.55555555555556 0.11111111111111 0.34190328247004 208.980 > 7 57 Bi 0.88888888888889 0.11111111111111 0.34190328247004 208.980 > 7 58 Bi 0.22222222222222 0.44444444444444 0.34190328247004 208.980 > 7 59 Bi 0.55555555555556 0.44444444444444 0.34190328247004 208.980 > 7 60 Bi 0.88888888888889 0.44444444444444 0.34190328247004 208.980 > 7 61 Bi 0.22222222222222 0.77777777777778 0.34190328247004 208.980 > 7 62 Bi 0.55555555555556 0.77777777777778 0.34190328247004 208.980 > 7 63 Bi 0.88888888888889 0.77777777777778 0.34190328247004 208.980 > 7 64 Bi 0.11111111111111 0.22222222222222 0.65809671752996 208.980 > 8 65 Bi 0.44444444444444 0.22222222222222 0.65809671752996 208.980 > 8 66 Bi 0.77777777777778 0.22222222222222 0.65809671752996 208.980 > 8 67 Bi 0.11111111111111 0.55555555555556 0.65809671752996 208.980 > 8 68 Bi 0.44444444444444 0.55555555555556 0.65809671752996 208.980 > 8 69 Bi 0.77777777777778 0.55555555555556 0.65809671752996 208.980 > 8 70 Bi 0.11111111111111 0.88888888888889 0.65809671752996 208.980 > 8 71 Bi 0.44444444444444 0.88888888888889 0.65809671752996 208.980 > 8 72 Bi 0.77777777777778 0.88888888888889 0.65809671752996 208.980 > 8 *73 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 > 9 74 U 0.33333333333333 0.00000000000000 0.00000000000000 238.029 > 9 75 U 0.66666666666667 0.00000000000000 0.00000000000000 238.029 > 9 76 U 0.00000000000000 0.33333333333333 0.00000000000000 238.029 > 9 77 U 0.33333333333333 0.33333333333333 0.00000000000000 238.029 > 9 78 U 0.66666666666667 0.33333333333333 0.00000000000000 238.029 > 9 79 U 0.00000000000000 0.66666666666667 0.00000000000000 238.029 > 9 80 U 0.33333333333333 0.66666666666667 0.00000000000000 238.029 > 9 81 U 0.66666666666667 0.66666666666667 0.00000000000000 238.029 > 9 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.3318019 -0.0000000 0.0000000 -0.0000000 8.3318019 0.0000000 0.0000000 0.0000000 7.4789628 -------------------------- Born effective charges -------------------------- 1 O -2.8626457 0.0000000 0.0000000 0.0000000 -2.8626457 0.0000000 0.0000000 0.0000000 -3.2253209 2 O -2.8626457 0.0000000 0.0000000 0.0000000 -2.8626457 0.0000000 0.0000000 0.0000000 -3.2253209 3 O -3.9270589 0.0000000 0.0000000 0.0000000 -3.9270589 0.0000000 0.0000000 0.0000000 -0.7777301 4 O -3.9270589 0.0000000 0.0000000 0.0000000 -3.9270589 0.0000000 0.0000000 0.0000000 -0.7777301 5 O -2.0564349 0.0000000 0.0000000 0.0000000 -2.0564349 0.0000000 0.0000000 0.0000000 -4.7637511 6 O -2.0564349 0.0000000 0.0000000 0.0000000 -2.0564349 0.0000000 0.0000000 0.0000000 -4.7637511 7 Bi 4.8149271 -0.0000000 0.0000000 -0.0000000 4.8149271 0.0000000 0.0000000 0.0000000 5.0222431 8 Bi 4.8149271 -0.0000000 0.0000000 -0.0000000 4.8149271 0.0000000 0.0000000 0.0000000 5.0222431 9 U 8.0624247 -0.0000000 0.0000000 0.0000000 8.0624247 0.0000000 0.0000000 0.0000000 7.4891181 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 243/243 Permutation basis: 3591/3591 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 336 Number of blocks in projector: 336 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: 148 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 108 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 80 Use standard eigh solver. Tree of FC basis block matrices: - (336, 326), data: False |-- (80, 75), data: True |-- (108, 108), data: True |-- (148, 143), data: True ----- Solver_atoms: 1 -- 81 / 81 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 160 - Time: 0.169 Solver_block: 160 / 160 - Time: 0.122 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.297 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 243/243 Permutation basis: 3591/3591 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 336 Number of blocks in projector: 336 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: 148 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 108 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 80 Use standard eigh solver. Tree of FC basis block matrices: - (336, 326), data: False |-- (80, 75), data: True |-- (108, 108), data: True |-- (148, 143), data: True 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 10:46:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:46:54]------------------------- 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): [3 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3m1 (164) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.851720660068691 0.000000000000000 0.000000000000000 b -1.925860330034346 3.335687939900851 0.000000000000000 c 0.000000000000000 0.000000000000000 9.610964820000000 Atomic positions (fractional): 1 O 0.66666666666667 0.33333333333333 0.58027232390749 15.999 2 O 0.33333333333333 0.66666666666667 0.41972767609251 15.999 3 O 0.66666666666667 0.33333333333333 0.95359131983192 15.999 4 O 0.33333333333333 0.66666666666667 0.04640868016808 15.999 5 O 0.00000000000000 0.00000000000000 0.21097122216322 15.999 6 O 0.00000000000000 0.00000000000000 0.78902877783678 15.999 7 Bi 0.66666666666667 0.33333333333333 0.34190328247004 208.980 8 Bi 0.33333333333333 0.66666666666667 0.65809671752996 208.980 9 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.555161980206073 0.000000000000000 0.000000000000000 b -5.777580990103038 10.007063819702553 0.000000000000000 c 0.000000000000000 0.000000000000000 9.610964820000000 Atomic positions (fractional): 1 O 0.22222222222222 0.11111111111111 0.58027232390749 15.999 > 1 2 O 0.55555555555556 0.11111111111111 0.58027232390749 15.999 > 1 3 O 0.88888888888889 0.11111111111111 0.58027232390749 15.999 > 1 4 O 0.22222222222222 0.44444444444444 0.58027232390749 15.999 > 1 5 O 0.55555555555556 0.44444444444444 0.58027232390749 15.999 > 1 6 O 0.88888888888889 0.44444444444444 0.58027232390749 15.999 > 1 7 O 0.22222222222222 0.77777777777778 0.58027232390749 15.999 > 1 8 O 0.55555555555556 0.77777777777778 0.58027232390749 15.999 > 1 9 O 0.88888888888889 0.77777777777778 0.58027232390749 15.999 > 1 10 O 0.11111111111111 0.22222222222222 0.41972767609251 15.999 > 10 11 O 0.44444444444444 0.22222222222222 0.41972767609251 15.999 > 10 12 O 0.77777777777778 0.22222222222222 0.41972767609251 15.999 > 10 13 O 0.11111111111111 0.55555555555556 0.41972767609251 15.999 > 10 14 O 0.44444444444444 0.55555555555556 0.41972767609251 15.999 > 10 15 O 0.77777777777778 0.55555555555556 0.41972767609251 15.999 > 10 16 O 0.11111111111111 0.88888888888889 0.41972767609251 15.999 > 10 17 O 0.44444444444444 0.88888888888889 0.41972767609251 15.999 > 10 18 O 0.77777777777778 0.88888888888889 0.41972767609251 15.999 > 10 19 O 0.22222222222222 0.11111111111111 0.95359131983192 15.999 > 19 20 O 0.55555555555556 0.11111111111111 0.95359131983192 15.999 > 19 21 O 0.88888888888889 0.11111111111111 0.95359131983192 15.999 > 19 22 O 0.22222222222222 0.44444444444444 0.95359131983192 15.999 > 19 23 O 0.55555555555556 0.44444444444444 0.95359131983192 15.999 > 19 24 O 0.88888888888889 0.44444444444444 0.95359131983192 15.999 > 19 25 O 0.22222222222222 0.77777777777778 0.95359131983192 15.999 > 19 26 O 0.55555555555556 0.77777777777778 0.95359131983192 15.999 > 19 27 O 0.88888888888889 0.77777777777778 0.95359131983192 15.999 > 19 28 O 0.11111111111111 0.22222222222222 0.04640868016808 15.999 > 28 29 O 0.44444444444444 0.22222222222222 0.04640868016808 15.999 > 28 30 O 0.77777777777778 0.22222222222222 0.04640868016808 15.999 > 28 31 O 0.11111111111111 0.55555555555556 0.04640868016808 15.999 > 28 32 O 0.44444444444444 0.55555555555556 0.04640868016808 15.999 > 28 33 O 0.77777777777778 0.55555555555556 0.04640868016808 15.999 > 28 34 O 0.11111111111111 0.88888888888889 0.04640868016808 15.999 > 28 35 O 0.44444444444444 0.88888888888889 0.04640868016808 15.999 > 28 36 O 0.77777777777778 0.88888888888889 0.04640868016808 15.999 > 28 37 O 0.00000000000000 0.00000000000000 0.21097122216322 15.999 > 37 38 O 0.33333333333333 0.00000000000000 0.21097122216322 15.999 > 37 39 O 0.66666666666667 0.00000000000000 0.21097122216322 15.999 > 37 40 O 0.00000000000000 0.33333333333333 0.21097122216322 15.999 > 37 41 O 0.33333333333333 0.33333333333333 0.21097122216322 15.999 > 37 42 O 0.66666666666667 0.33333333333333 0.21097122216322 15.999 > 37 43 O 0.00000000000000 0.66666666666667 0.21097122216322 15.999 > 37 44 O 0.33333333333333 0.66666666666667 0.21097122216322 15.999 > 37 45 O 0.66666666666667 0.66666666666667 0.21097122216322 15.999 > 37 46 O 0.00000000000000 0.00000000000000 0.78902877783678 15.999 > 46 47 O 0.33333333333333 0.00000000000000 0.78902877783678 15.999 > 46 48 O 0.66666666666667 0.00000000000000 0.78902877783678 15.999 > 46 49 O 0.00000000000000 0.33333333333333 0.78902877783678 15.999 > 46 50 O 0.33333333333333 0.33333333333333 0.78902877783678 15.999 > 46 51 O 0.66666666666667 0.33333333333333 0.78902877783678 15.999 > 46 52 O 0.00000000000000 0.66666666666667 0.78902877783678 15.999 > 46 53 O 0.33333333333333 0.66666666666667 0.78902877783678 15.999 > 46 54 O 0.66666666666667 0.66666666666667 0.78902877783678 15.999 > 46 55 Bi 0.22222222222222 0.11111111111111 0.34190328247004 208.980 > 55 56 Bi 0.55555555555556 0.11111111111111 0.34190328247004 208.980 > 55 57 Bi 0.88888888888889 0.11111111111111 0.34190328247004 208.980 > 55 58 Bi 0.22222222222222 0.44444444444444 0.34190328247004 208.980 > 55 59 Bi 0.55555555555556 0.44444444444444 0.34190328247004 208.980 > 55 60 Bi 0.88888888888889 0.44444444444444 0.34190328247004 208.980 > 55 61 Bi 0.22222222222222 0.77777777777778 0.34190328247004 208.980 > 55 62 Bi 0.55555555555556 0.77777777777778 0.34190328247004 208.980 > 55 63 Bi 0.88888888888889 0.77777777777778 0.34190328247004 208.980 > 55 64 Bi 0.11111111111111 0.22222222222222 0.65809671752996 208.980 > 64 65 Bi 0.44444444444444 0.22222222222222 0.65809671752996 208.980 > 64 66 Bi 0.77777777777778 0.22222222222222 0.65809671752996 208.980 > 64 67 Bi 0.11111111111111 0.55555555555556 0.65809671752996 208.980 > 64 68 Bi 0.44444444444444 0.55555555555556 0.65809671752996 208.980 > 64 69 Bi 0.77777777777778 0.55555555555556 0.65809671752996 208.980 > 64 70 Bi 0.11111111111111 0.88888888888889 0.65809671752996 208.980 > 64 71 Bi 0.44444444444444 0.88888888888889 0.65809671752996 208.980 > 64 72 Bi 0.77777777777778 0.88888888888889 0.65809671752996 208.980 > 64 73 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 > 73 74 U 0.33333333333333 0.00000000000000 0.00000000000000 238.029 > 73 75 U 0.66666666666667 0.00000000000000 0.00000000000000 238.029 > 73 76 U 0.00000000000000 0.33333333333333 0.00000000000000 238.029 > 73 77 U 0.33333333333333 0.33333333333333 0.00000000000000 238.029 > 73 78 U 0.66666666666667 0.33333333333333 0.00000000000000 238.029 > 73 79 U 0.00000000000000 0.66666666666667 0.00000000000000 238.029 > 73 80 U 0.33333333333333 0.66666666666667 0.00000000000000 238.029 > 73 81 U 0.66666666666667 0.66666666666667 0.00000000000000 238.029 > 73 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.3318019 -0.0000000 0.0000000 -0.0000000 8.3318019 0.0000000 0.0000000 0.0000000 7.4789628 -------------------------- Born effective charges -------------------------- 1 O -2.8626457 0.0000000 0.0000000 0.0000000 -2.8626457 0.0000000 0.0000000 0.0000000 -3.2253209 2 O -2.8626457 0.0000000 0.0000000 0.0000000 -2.8626457 0.0000000 0.0000000 0.0000000 -3.2253209 3 O -3.9270589 0.0000000 0.0000000 0.0000000 -3.9270589 0.0000000 0.0000000 0.0000000 -0.7777301 4 O -3.9270589 0.0000000 0.0000000 0.0000000 -3.9270589 0.0000000 0.0000000 0.0000000 -0.7777301 5 O -2.0564349 0.0000000 0.0000000 0.0000000 -2.0564349 0.0000000 0.0000000 0.0000000 -4.7637511 6 O -2.0564349 0.0000000 0.0000000 0.0000000 -2.0564349 0.0000000 0.0000000 0.0000000 -4.7637511 7 Bi 4.8149271 -0.0000000 0.0000000 -0.0000000 4.8149271 0.0000000 0.0000000 0.0000000 5.0222431 8 Bi 4.8149271 -0.0000000 0.0000000 -0.0000000 4.8149271 0.0000000 0.0000000 0.0000000 5.0222431 9 U 8.0624247 -0.0000000 0.0000000 0.0000000 8.0624247 0.0000000 0.0000000 0.0000000 7.4891181 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 19, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] Computing fc3[ 55, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) 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 10:47:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:47:00]------------------------- 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): [3 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3m1 (164) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.851720660068691 0.000000000000000 0.000000000000000 b -1.925860330034346 3.335687939900851 0.000000000000000 c 0.000000000000000 0.000000000000000 9.610964820000000 Atomic positions (fractional): 1 O 0.66666666666667 0.33333333333333 0.58027232390749 15.999 2 O 0.33333333333333 0.66666666666667 0.41972767609251 15.999 3 O 0.66666666666667 0.33333333333333 0.95359131983192 15.999 4 O 0.33333333333333 0.66666666666667 0.04640868016808 15.999 5 O 0.00000000000000 0.00000000000000 0.21097122216322 15.999 6 O 0.00000000000000 0.00000000000000 0.78902877783678 15.999 7 Bi 0.66666666666667 0.33333333333333 0.34190328247004 208.980 8 Bi 0.33333333333333 0.66666666666667 0.65809671752996 208.980 9 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.555161980206073 0.000000000000000 0.000000000000000 b -5.777580990103038 10.007063819702553 0.000000000000000 c 0.000000000000000 0.000000000000000 9.610964820000000 Atomic positions (fractional): 1 O 0.22222222222222 0.11111111111111 0.58027232390749 15.999 > 1 2 O 0.55555555555556 0.11111111111111 0.58027232390749 15.999 > 1 3 O 0.88888888888889 0.11111111111111 0.58027232390749 15.999 > 1 4 O 0.22222222222222 0.44444444444444 0.58027232390749 15.999 > 1 5 O 0.55555555555556 0.44444444444444 0.58027232390749 15.999 > 1 6 O 0.88888888888889 0.44444444444444 0.58027232390749 15.999 > 1 7 O 0.22222222222222 0.77777777777778 0.58027232390749 15.999 > 1 8 O 0.55555555555556 0.77777777777778 0.58027232390749 15.999 > 1 9 O 0.88888888888889 0.77777777777778 0.58027232390749 15.999 > 1 10 O 0.11111111111111 0.22222222222222 0.41972767609251 15.999 > 10 11 O 0.44444444444444 0.22222222222222 0.41972767609251 15.999 > 10 12 O 0.77777777777778 0.22222222222222 0.41972767609251 15.999 > 10 13 O 0.11111111111111 0.55555555555556 0.41972767609251 15.999 > 10 14 O 0.44444444444444 0.55555555555556 0.41972767609251 15.999 > 10 15 O 0.77777777777778 0.55555555555556 0.41972767609251 15.999 > 10 16 O 0.11111111111111 0.88888888888889 0.41972767609251 15.999 > 10 17 O 0.44444444444444 0.88888888888889 0.41972767609251 15.999 > 10 18 O 0.77777777777778 0.88888888888889 0.41972767609251 15.999 > 10 19 O 0.22222222222222 0.11111111111111 0.95359131983192 15.999 > 19 20 O 0.55555555555556 0.11111111111111 0.95359131983192 15.999 > 19 21 O 0.88888888888889 0.11111111111111 0.95359131983192 15.999 > 19 22 O 0.22222222222222 0.44444444444444 0.95359131983192 15.999 > 19 23 O 0.55555555555556 0.44444444444444 0.95359131983192 15.999 > 19 24 O 0.88888888888889 0.44444444444444 0.95359131983192 15.999 > 19 25 O 0.22222222222222 0.77777777777778 0.95359131983192 15.999 > 19 26 O 0.55555555555556 0.77777777777778 0.95359131983192 15.999 > 19 27 O 0.88888888888889 0.77777777777778 0.95359131983192 15.999 > 19 28 O 0.11111111111111 0.22222222222222 0.04640868016808 15.999 > 28 29 O 0.44444444444444 0.22222222222222 0.04640868016808 15.999 > 28 30 O 0.77777777777778 0.22222222222222 0.04640868016808 15.999 > 28 31 O 0.11111111111111 0.55555555555556 0.04640868016808 15.999 > 28 32 O 0.44444444444444 0.55555555555556 0.04640868016808 15.999 > 28 33 O 0.77777777777778 0.55555555555556 0.04640868016808 15.999 > 28 34 O 0.11111111111111 0.88888888888889 0.04640868016808 15.999 > 28 35 O 0.44444444444444 0.88888888888889 0.04640868016808 15.999 > 28 36 O 0.77777777777778 0.88888888888889 0.04640868016808 15.999 > 28 37 O 0.00000000000000 0.00000000000000 0.21097122216322 15.999 > 37 38 O 0.33333333333333 0.00000000000000 0.21097122216322 15.999 > 37 39 O 0.66666666666667 0.00000000000000 0.21097122216322 15.999 > 37 40 O 0.00000000000000 0.33333333333333 0.21097122216322 15.999 > 37 41 O 0.33333333333333 0.33333333333333 0.21097122216322 15.999 > 37 42 O 0.66666666666667 0.33333333333333 0.21097122216322 15.999 > 37 43 O 0.00000000000000 0.66666666666667 0.21097122216322 15.999 > 37 44 O 0.33333333333333 0.66666666666667 0.21097122216322 15.999 > 37 45 O 0.66666666666667 0.66666666666667 0.21097122216322 15.999 > 37 46 O 0.00000000000000 0.00000000000000 0.78902877783678 15.999 > 46 47 O 0.33333333333333 0.00000000000000 0.78902877783678 15.999 > 46 48 O 0.66666666666667 0.00000000000000 0.78902877783678 15.999 > 46 49 O 0.00000000000000 0.33333333333333 0.78902877783678 15.999 > 46 50 O 0.33333333333333 0.33333333333333 0.78902877783678 15.999 > 46 51 O 0.66666666666667 0.33333333333333 0.78902877783678 15.999 > 46 52 O 0.00000000000000 0.66666666666667 0.78902877783678 15.999 > 46 53 O 0.33333333333333 0.66666666666667 0.78902877783678 15.999 > 46 54 O 0.66666666666667 0.66666666666667 0.78902877783678 15.999 > 46 55 Bi 0.22222222222222 0.11111111111111 0.34190328247004 208.980 > 55 56 Bi 0.55555555555556 0.11111111111111 0.34190328247004 208.980 > 55 57 Bi 0.88888888888889 0.11111111111111 0.34190328247004 208.980 > 55 58 Bi 0.22222222222222 0.44444444444444 0.34190328247004 208.980 > 55 59 Bi 0.55555555555556 0.44444444444444 0.34190328247004 208.980 > 55 60 Bi 0.88888888888889 0.44444444444444 0.34190328247004 208.980 > 55 61 Bi 0.22222222222222 0.77777777777778 0.34190328247004 208.980 > 55 62 Bi 0.55555555555556 0.77777777777778 0.34190328247004 208.980 > 55 63 Bi 0.88888888888889 0.77777777777778 0.34190328247004 208.980 > 55 64 Bi 0.11111111111111 0.22222222222222 0.65809671752996 208.980 > 64 65 Bi 0.44444444444444 0.22222222222222 0.65809671752996 208.980 > 64 66 Bi 0.77777777777778 0.22222222222222 0.65809671752996 208.980 > 64 67 Bi 0.11111111111111 0.55555555555556 0.65809671752996 208.980 > 64 68 Bi 0.44444444444444 0.55555555555556 0.65809671752996 208.980 > 64 69 Bi 0.77777777777778 0.55555555555556 0.65809671752996 208.980 > 64 70 Bi 0.11111111111111 0.88888888888889 0.65809671752996 208.980 > 64 71 Bi 0.44444444444444 0.88888888888889 0.65809671752996 208.980 > 64 72 Bi 0.77777777777778 0.88888888888889 0.65809671752996 208.980 > 64 73 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 > 73 74 U 0.33333333333333 0.00000000000000 0.00000000000000 238.029 > 73 75 U 0.66666666666667 0.00000000000000 0.00000000000000 238.029 > 73 76 U 0.00000000000000 0.33333333333333 0.00000000000000 238.029 > 73 77 U 0.33333333333333 0.33333333333333 0.00000000000000 238.029 > 73 78 U 0.66666666666667 0.33333333333333 0.00000000000000 238.029 > 73 79 U 0.00000000000000 0.66666666666667 0.00000000000000 238.029 > 73 80 U 0.33333333333333 0.66666666666667 0.00000000000000 238.029 > 73 81 U 0.66666666666667 0.66666666666667 0.00000000000000 238.029 > 73 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 8.3318019 -0.0000000 0.0000000 -0.0000000 8.3318019 0.0000000 0.0000000 0.0000000 7.4789628 -------------------------- Born effective charges -------------------------- 1 O -2.8626457 0.0000000 0.0000000 0.0000000 -2.8626457 0.0000000 0.0000000 0.0000000 -3.2253209 2 O -2.8626457 0.0000000 0.0000000 0.0000000 -2.8626457 0.0000000 0.0000000 0.0000000 -3.2253209 3 O -3.9270589 0.0000000 0.0000000 0.0000000 -3.9270589 0.0000000 0.0000000 0.0000000 -0.7777301 4 O -3.9270589 0.0000000 0.0000000 0.0000000 -3.9270589 0.0000000 0.0000000 0.0000000 -0.7777301 5 O -2.0564349 0.0000000 0.0000000 0.0000000 -2.0564349 0.0000000 0.0000000 0.0000000 -4.7637511 6 O -2.0564349 0.0000000 0.0000000 0.0000000 -2.0564349 0.0000000 0.0000000 0.0000000 -4.7637511 7 Bi 4.8149271 -0.0000000 0.0000000 -0.0000000 4.8149271 0.0000000 0.0000000 0.0000000 5.0222431 8 Bi 4.8149271 -0.0000000 0.0000000 -0.0000000 4.8149271 0.0000000 0.0000000 0.0000000 5.0222431 9 U 8.0624247 -0.0000000 0.0000000 0.0000000 8.0624247 0.0000000 0.0000000 0.0000000 7.4891181 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) Max drift of fc2: 0.00000000 (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 ... [ 15 15 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.83, Number of G-points: 311, Lambda: 0.25 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/119) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 119 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 1.729 ( 0.000 0.000 0.000) 0.000 1.729 ( 0.000 0.000 0.000) 0.000 2.018 ( 0.000 0.000 0.000) 0.000 2.018 ( 0.000 0.000 0.000) 0.000 2.611 ( 0.000 0.000 0.000) 0.000 4.757 ( 0.000 0.000 0.000) 0.000 6.974 ( 0.000 0.000 0.000) 0.000 6.974 ( 0.000 0.000 0.000) 0.000 7.458 ( 0.000 0.000 0.000) 0.000 7.458 ( 0.000 0.000 0.000) 0.000 8.997 ( 0.000 0.000 0.000) 0.000 9.165 ( 0.000 0.000 0.000) 0.000 9.165 ( 0.000 0.000 0.000) 0.000 9.871 ( 0.000 0.000 0.000) 0.000 10.591 ( 0.000 0.000 0.000) 0.000 10.877 ( 0.000 0.000 0.000) 0.000 10.877 ( 0.000 0.000 0.000) 0.000 12.033 ( 0.000 0.000 0.000) 0.000 12.033 ( 0.000 0.000 0.000) 0.000 13.131 ( 0.000 0.000 0.000) 0.000 15.905 ( 0.000 0.000 0.000) 0.000 15.905 ( 0.000 0.000 0.000) 0.000 18.228 ( 0.000 0.000 0.000) 0.000 18.983 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/119) ======================= q-point: ( 0.07 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.419 ( 17.910 10.340 -9.350) 22.696 0.505 ( 21.139 12.205 -7.387) 25.503 0.910 ( 37.812 21.831 7.941) 44.377 1.726 ( -0.171 -0.099 1.904) 1.914 2.026 ( 0.696 0.402 0.317) 0.864 2.092 ( 12.680 7.321 -3.242) 14.996 2.103 ( 6.564 3.790 0.511) 7.597 2.645 ( 3.467 2.002 0.535) 4.039 4.711 ( -3.971 -2.293 -0.213) 4.590 6.930 ( -3.704 -2.138 -6.000) 7.368 7.241 ( -16.827 -9.715 -8.067) 21.038 7.460 ( -0.356 -0.205 10.853) 10.861 8.342 ( -27.767 -16.031 -0.212) 32.063 9.114 ( -3.760 -2.171 -9.492) 10.438 9.330 ( 5.822 3.362 3.708) 7.678 9.920 ( 2.420 1.397 -9.922) 10.308 10.235 ( -3.916 -2.261 20.253) 20.752 10.642 ( 4.905 2.832 -6.781) 8.835 10.784 ( -7.916 -4.570 7.306) 11.702 11.946 ( -7.022 -4.054 3.186) 8.712 12.010 ( -2.025 -1.169 -2.693) 3.567 13.144 ( 0.416 0.240 0.057) 0.484 15.092 ( -16.872 -9.741 -9.057) 21.485 15.935 ( 2.492 1.439 0.042) 2.878 16.054 ( 7.962 4.597 3.292) 9.765 18.132 ( -8.179 -4.722 1.933) 9.640 18.927 ( -4.303 -2.484 0.035) 4.968 ======================= Grid point 2 (3/119) ======================= q-point: ( 0.13 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( 17.117 9.882 -9.763) 22.045 0.960 ( 17.978 10.379 -5.969) 21.600 1.705 ( 29.986 17.313 4.249) 34.885 1.731 ( 0.885 0.511 3.973) 4.102 2.052 ( 1.577 0.910 0.337) 1.852 2.230 ( 3.899 2.251 0.030) 4.502 2.505 ( 21.717 12.538 -1.624) 25.129 2.809 ( 11.051 6.380 0.830) 12.788 4.576 ( -7.401 -4.273 -1.308) 8.645 6.804 ( -7.319 -4.226 -9.576) 12.772 6.806 ( -18.371 -10.607 -7.679) 22.560 7.397 ( -6.255 -3.612 18.313) 19.686 7.684 ( -28.639 -16.535 -2.481) 33.162 9.046 ( -0.742 -0.428 -17.679) 17.700 9.084 ( -24.288 -14.023 6.350) 28.755 9.890 ( -5.145 -2.971 -15.596) 16.690 10.346 ( 10.661 6.155 23.051) 26.132 10.522 ( -14.657 -8.462 12.706) 21.163 10.826 ( 10.796 6.233 -2.449) 12.704 11.755 ( -8.153 -4.707 5.508) 10.907 11.943 ( -3.607 -2.082 -3.720) 5.584 13.108 ( -4.344 -2.508 0.364) 5.029 14.667 ( -19.112 -11.035 -12.605) 25.415 16.011 ( 3.849 2.222 0.051) 4.445 16.132 ( -2.673 -1.543 0.759) 3.178 17.862 ( -14.946 -8.629 3.221) 17.556 18.828 ( -3.187 -1.840 0.406) 3.703 ======================= Grid point 3 (4/119) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( 16.066 9.276 -9.515) 20.849 1.326 ( 13.671 7.893 -3.929) 16.268 1.781 ( 3.875 2.237 5.248) 6.896 2.101 ( 2.705 1.562 0.151) 3.127 2.166 ( 6.660 3.845 -12.107) 14.343 2.396 ( 14.481 8.361 16.457) 23.462 3.038 ( 22.701 13.106 -2.380) 26.321 3.123 ( 15.805 9.125 0.700) 18.264 4.413 ( -5.102 -2.946 -2.130) 6.265 6.451 ( -12.764 -7.369 -1.197) 14.787 6.585 ( -11.970 -6.911 -9.070) 16.532 7.065 ( -23.700 -13.683 -7.047) 28.259 7.149 ( -14.631 -8.447 16.920) 23.911 8.400 ( -32.227 -18.606 -0.401) 37.214 9.121 ( 7.279 4.202 -21.605) 23.182 9.670 ( -13.610 -7.858 -2.538) 15.919 10.113 ( -20.638 -11.915 17.080) 29.320 10.574 ( 7.303 4.216 10.957) 13.826 11.096 ( 11.003 6.352 2.065) 12.872 11.654 ( 1.443 0.833 10.900) 11.027 11.860 ( -3.093 -1.785 -3.001) 4.665 12.929 ( -11.039 -6.373 -0.360) 12.751 14.233 ( -18.263 -10.544 -14.477) 25.579 15.907 ( -16.305 -9.414 -2.919) 19.052 16.102 ( 3.879 2.240 0.031) 4.479 17.455 ( -20.125 -11.619 3.853) 23.556 18.815 ( 2.267 1.309 0.847) 2.751 ======================= Grid point 4 (5/119) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( 13.351 7.708 -6.551) 16.751 1.599 ( 10.590 6.114 -2.250) 12.433 1.932 ( 9.617 5.552 3.364) 11.603 2.174 ( 3.580 2.067 0.038) 4.134 2.276 ( 6.084 3.513 -8.515) 11.039 2.669 ( 7.226 4.172 13.704) 16.045 3.413 ( 12.170 7.027 -10.427) 17.499 3.610 ( 23.123 13.350 7.145) 27.639 4.406 ( 4.643 2.680 -1.860) 5.674 6.129 ( -17.065 -9.853 -1.157) 19.739 6.220 ( -20.470 -11.818 4.361) 24.036 6.632 ( -15.404 -8.893 -6.183) 18.831 6.798 ( -13.665 -7.889 -2.635) 15.997 7.727 ( -21.897 -12.642 -4.822) 25.740 9.314 ( -15.784 -9.113 5.789) 19.123 9.348 ( 11.023 6.364 -22.638) 25.971 9.578 ( -25.146 -14.518 22.872) 36.963 10.627 ( -3.027 -1.748 -3.118) 4.684 11.304 ( 7.744 4.471 1.422) 9.055 11.818 ( -0.329 -0.190 -1.107) 1.170 11.829 ( 10.568 6.101 30.979) 33.296 12.636 ( -12.424 -7.173 -7.919) 16.387 13.819 ( -17.957 -10.368 -12.818) 24.377 15.447 ( -21.552 -12.443 -8.817) 26.402 16.184 ( 3.104 1.792 -0.000) 3.584 16.944 ( -23.883 -13.789 5.058) 28.038 18.916 ( 5.886 3.398 0.746) 6.837 ======================= Grid point 5 (6/119) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( 8.896 5.136 -1.840) 10.436 1.839 ( 10.336 5.968 -1.616) 12.044 2.222 ( 14.252 8.228 -0.399) 16.462 2.264 ( 4.535 2.618 -0.003) 5.236 2.475 ( 10.532 6.081 -6.751) 13.910 2.785 ( 4.839 2.794 10.793) 12.153 3.640 ( 7.773 4.488 -13.919) 16.562 4.114 ( 19.366 11.181 8.460) 23.908 4.576 ( 8.579 4.953 -2.455) 10.206 5.654 ( -23.904 -13.801 -2.071) 27.680 5.655 ( -27.027 -15.604 17.466) 35.763 6.187 ( -22.845 -13.189 -5.524) 26.951 6.575 ( -5.465 -3.155 -24.706) 25.499 7.589 ( 9.990 5.768 -2.072) 11.720 8.944 ( -28.218 -16.292 24.513) 40.775 9.007 ( -9.750 -5.629 6.756) 13.130 9.616 ( 10.575 6.106 -16.556) 20.572 10.457 ( -11.212 -6.473 -9.620) 16.129 11.457 ( 4.754 2.745 -3.869) 6.716 11.846 ( 2.551 1.473 0.690) 3.025 11.893 ( -8.206 -4.738 46.640) 47.593 12.535 ( 5.702 3.292 -13.029) 14.598 13.399 ( -17.715 -10.228 -6.607) 21.496 15.005 ( -15.123 -8.731 -18.232) 25.246 16.244 ( 2.086 1.205 -0.020) 2.409 16.369 ( -25.472 -14.707 7.624) 30.385 19.060 ( 6.117 3.532 0.437) 7.077 ======================= Grid point 6 (7/119) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( 5.158 2.978 -0.402) 5.969 2.061 ( 8.445 4.876 -2.038) 9.963 2.355 ( 3.998 2.308 -0.230) 4.623 2.560 ( 13.085 7.554 -0.627) 15.122 2.641 ( 1.701 0.982 3.657) 4.152 3.021 ( 16.949 9.786 -3.036) 19.805 3.806 ( 7.525 4.345 -9.704) 13.026 4.430 ( 6.704 3.871 4.230) 8.821 4.745 ( 4.860 2.806 -3.104) 6.413 5.045 ( -27.704 -15.995 0.947) 32.004 5.050 ( -23.647 -13.653 16.476) 31.891 5.744 ( -12.634 -7.294 -1.923) 14.715 6.545 ( 2.651 1.531 -32.320) 32.465 8.039 ( 25.622 14.793 -2.901) 29.728 8.304 ( -26.166 -15.107 27.641) 40.951 8.883 ( -1.115 -0.644 3.832) 4.042 9.821 ( 6.937 4.005 -11.446) 13.971 10.120 ( -17.828 -10.293 -5.842) 21.399 11.459 ( -6.380 -3.683 -3.905) 8.338 11.657 ( -6.961 -4.019 27.382) 28.538 11.918 ( 3.269 1.887 1.213) 3.964 12.640 ( -2.217 -1.280 -1.865) 3.167 13.126 ( -2.462 -1.421 2.320) 3.669 14.794 ( -2.772 -1.600 -25.943) 26.140 15.793 ( -23.817 -13.751 12.030) 30.018 16.281 ( 1.143 0.660 -0.019) 1.320 19.183 ( 4.292 2.478 0.197) 4.960 ======================= Grid point 7 (8/119) ======================= q-point: ( 0.47 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( 1.562 0.902 -0.100) 1.806 2.213 ( 4.145 2.393 -1.489) 5.013 2.430 ( 2.009 1.160 -0.249) 2.333 2.616 ( -1.992 -1.150 2.567) 3.447 2.782 ( 5.314 3.068 -0.104) 6.137 3.469 ( 18.994 10.966 -5.733) 22.670 3.948 ( -0.095 -0.055 0.872) 0.879 4.408 ( -5.765 -3.329 -0.691) 6.693 4.512 ( -13.148 -7.591 0.590) 15.194 4.645 ( -9.828 -5.674 6.733) 13.195 4.790 ( 0.198 0.115 -0.265) 0.350 5.616 ( -0.807 -0.466 0.124) 0.940 6.656 ( 4.894 2.826 -19.417) 20.222 7.816 ( -13.400 -7.737 16.991) 22.981 8.592 ( 16.158 9.329 -3.744) 19.030 8.950 ( 7.425 4.287 0.452) 8.586 9.671 ( -18.228 -10.524 1.586) 21.107 9.930 ( 2.364 1.365 -4.039) 4.875 11.280 ( -5.369 -3.100 3.125) 6.943 11.568 ( -2.148 -1.240 4.079) 4.773 11.977 ( 1.442 0.833 0.540) 1.750 12.524 ( -3.750 -2.165 -0.464) 4.355 13.173 ( 2.350 1.357 3.084) 4.108 14.868 ( 7.707 4.450 -21.706) 23.459 15.308 ( -16.577 -9.571 15.105) 24.383 16.298 ( 0.357 0.206 -0.007) 0.412 19.251 ( 1.520 0.878 0.053) 1.757 ======================= Grid point 16 (9/119) ======================= q-point: ( 0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.619 ( 9.203 15.939 0.000) 18.405 0.947 ( 12.213 21.154 0.000) 24.427 1.494 ( 18.660 32.320 0.000) 37.319 1.730 ( 0.292 0.505 0.000) 0.583 2.046 ( 0.989 1.713 0.000) 1.978 2.206 ( 3.071 5.319 0.000) 6.142 2.368 ( 11.130 19.278 0.000) 22.260 2.746 ( 5.131 8.888 0.000) 10.263 4.620 ( -3.874 -6.711 0.000) 7.749 6.700 ( -10.213 -17.689 0.000) 20.425 7.159 ( -2.937 -5.087 0.000) 5.874 7.354 ( -3.275 -5.672 0.000) 6.550 7.892 ( -14.906 -25.818 0.000) 29.812 8.975 ( -5.525 -9.570 0.000) 11.050 9.255 ( -8.371 -14.500 0.000) 16.743 9.918 ( -2.894 -5.013 0.000) 5.788 10.271 ( 4.036 6.991 0.000) 8.073 10.587 ( -3.253 -5.635 0.000) 6.507 10.776 ( 1.914 3.315 0.000) 3.828 11.803 ( -5.380 -9.318 0.000) 10.760 11.979 ( -0.909 -1.575 0.000) 1.818 13.130 ( -1.468 -2.543 0.000) 2.936 14.826 ( -9.340 -16.178 0.000) 18.681 15.886 ( -0.804 -1.392 0.000) 1.608 16.203 ( 2.027 3.511 0.000) 4.054 17.948 ( -7.734 -13.395 0.000) 15.468 18.853 ( -2.172 -3.761 0.000) 4.343 ======================= Grid point 17 (10/119) ======================= q-point: ( 0.13 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( 15.619 11.116 -4.206) 19.626 1.311 ( 7.690 16.918 -3.353) 18.883 1.759 ( 1.882 3.068 1.984) 4.110 2.072 ( 12.113 14.171 -2.397) 18.796 2.101 ( 5.450 7.689 -0.641) 9.446 2.299 ( 4.080 5.031 5.933) 8.784 2.826 ( 18.393 18.756 -0.672) 26.278 3.001 ( 10.841 12.485 -0.025) 16.535 4.463 ( -5.420 -6.378 -1.096) 8.441 6.329 ( -7.622 -22.842 -1.365) 24.119 6.992 ( -14.977 7.292 -12.300) 20.707 7.187 ( -9.424 -15.747 7.374) 19.777 7.399 ( -18.272 -9.953 6.499) 21.799 8.717 ( -20.703 -17.599 11.568) 29.532 8.908 ( 2.744 -15.508 -22.178) 27.201 9.672 ( -8.577 -20.911 -1.534) 22.654 10.375 ( -11.739 0.243 5.912) 13.146 10.507 ( 5.692 4.406 9.977) 12.302 10.895 ( 9.324 -1.584 -0.802) 9.492 11.658 ( -1.824 -1.951 3.768) 4.618 11.950 ( -2.869 2.616 -1.190) 4.061 13.014 ( -6.685 -7.225 0.134) 9.844 14.471 ( -16.503 -8.925 -7.997) 20.395 15.882 ( 3.746 -8.200 0.884) 9.058 16.127 ( -7.970 -6.491 -1.216) 10.350 17.609 ( -13.879 -16.355 1.962) 21.540 18.823 ( 0.329 2.392 0.401) 2.448 ======================= Grid point 18 (11/119) ======================= q-point: ( 0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 15.160 8.516 -4.349) 17.924 1.547 ( 6.269 7.787 -1.204) 10.069 1.899 ( 5.663 12.718 0.642) 13.937 2.165 ( 2.088 4.800 -0.007) 5.235 2.304 ( 0.366 10.290 -10.912) 15.003 2.555 ( 11.740 6.439 15.307) 20.337 3.292 ( 12.618 12.105 -8.489) 19.438 3.369 ( 19.432 14.578 6.589) 25.170 4.372 ( 0.649 -0.405 -1.512) 1.695 5.984 ( -5.962 -24.826 1.428) 25.572 6.728 ( -22.682 -9.539 -12.649) 27.667 6.835 ( -13.381 6.988 -6.694) 16.514 7.038 ( -19.327 -1.949 16.919) 25.760 8.058 ( -30.515 -14.299 0.090) 33.699 8.985 ( 19.348 -16.057 -20.398) 32.377 9.269 ( -7.147 -29.464 5.816) 30.871 10.013 ( -25.890 -1.019 12.232) 28.652 10.647 ( 1.773 2.275 2.159) 3.603 11.014 ( 13.990 -13.306 -0.228) 19.309 11.767 ( 7.588 11.871 15.463) 20.919 11.940 ( -4.044 7.392 -0.473) 8.439 12.762 ( -11.444 -10.181 -2.654) 15.545 14.093 ( -19.655 -3.856 -11.101) 22.900 15.646 ( -17.651 -15.531 -3.419) 23.758 16.018 ( 7.787 -11.539 -0.464) 13.928 17.152 ( -18.626 -18.390 3.331) 26.386 18.913 ( 2.994 8.693 0.618) 9.215 ======================= Grid point 19 (12/119) ======================= q-point: ( 0.27 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( 12.407 6.214 -2.641) 14.125 1.744 ( 9.007 6.735 0.492) 11.258 2.185 ( 7.683 19.816 -1.046) 21.279 2.255 ( 2.115 5.901 0.042) 6.269 2.425 ( 2.966 8.762 -9.200) 13.047 2.750 ( 5.574 5.782 13.864) 16.023 3.559 ( 7.892 7.438 -12.595) 16.620 3.872 ( 21.238 12.284 8.387) 25.929 4.477 ( 7.568 4.119 -1.765) 8.795 5.581 ( -11.197 -27.045 4.413) 29.602 6.224 ( -24.300 -9.229 -6.347) 26.757 6.559 ( -32.854 4.795 7.123) 33.958 6.725 ( -12.530 -0.280 -12.481) 17.688 7.611 ( -6.665 2.563 -3.590) 7.993 8.838 ( -5.958 -28.680 14.954) 32.889 9.190 ( 16.575 -18.334 -19.435) 31.442 9.550 ( -21.897 0.790 12.750) 25.351 10.579 ( -7.689 -3.595 -6.054) 10.426 11.159 ( 17.334 -13.200 -1.624) 21.848 11.923 ( -5.837 3.363 13.012) 14.652 12.027 ( 0.974 13.907 28.591) 31.809 12.519 ( -2.678 -2.538 -16.398) 16.808 13.705 ( -22.453 -1.320 -8.955) 24.209 15.151 ( -17.169 -17.105 -11.299) 26.740 16.059 ( 10.483 -13.594 -0.060) 17.167 16.609 ( -21.793 -19.403 5.332) 29.663 19.073 ( 2.824 11.917 0.473) 12.257 ======================= Grid point 20 (13/119) ======================= q-point: ( 0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( 8.256 5.571 -1.284) 10.042 1.972 ( 8.078 7.179 -0.400) 10.814 2.349 ( 1.741 6.064 -0.080) 6.309 2.527 ( 7.336 20.508 -0.834) 21.797 2.579 ( 6.593 2.721 -0.647) 7.162 2.933 ( 6.991 12.978 3.863) 15.239 3.733 ( 6.048 5.020 -12.860) 15.072 4.290 ( 14.493 5.893 7.219) 17.230 4.653 ( 7.586 2.191 -2.492) 8.280 5.078 ( -15.702 -24.316 6.066) 29.574 5.680 ( -34.559 -1.515 8.781) 35.689 5.943 ( -25.623 -10.578 -3.788) 27.978 6.578 ( -5.213 1.922 -25.727) 26.320 7.855 ( 15.764 19.981 0.136) 25.451 8.438 ( -10.963 -23.475 19.873) 32.653 9.027 ( -12.083 -1.140 2.389) 12.370 9.525 ( 16.157 -12.764 -9.866) 22.832 10.342 ( -14.220 -5.299 -6.126) 16.365 11.305 ( 13.155 -12.400 -7.323) 19.505 11.695 ( -13.030 -11.161 26.126) 31.255 12.087 ( -5.838 13.605 11.431) 18.704 12.660 ( 5.981 9.066 -3.963) 11.562 13.322 ( -19.370 2.377 -2.622) 19.691 14.794 ( -5.607 -12.239 -21.654) 25.497 16.029 ( -22.325 -19.145 8.927) 30.734 16.099 ( 10.394 -14.761 -0.066) 18.053 19.229 ( 0.576 12.716 0.262) 12.732 ======================= Grid point 21 (14/119) ======================= q-point: ( 0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.053 ( 2.321 5.592 -0.483) 6.074 2.147 ( 5.797 3.646 -1.577) 7.028 2.434 ( 1.231 5.280 -0.672) 5.463 2.633 ( -0.648 -1.131 4.375) 4.565 2.815 ( 2.881 17.124 -0.080) 17.365 3.287 ( 15.757 15.505 -4.233) 22.508 3.898 ( 6.704 4.592 -4.767) 9.420 4.437 ( -0.202 -3.005 0.891) 3.141 4.600 ( -10.916 -15.112 6.184) 19.641 4.749 ( 0.516 -2.753 -3.919) 4.817 5.033 ( -33.055 -0.597 8.997) 34.263 5.626 ( -3.887 -4.927 -0.949) 6.347 6.580 ( 3.386 0.045 -25.140) 25.368 7.962 ( -13.276 -14.490 23.775) 30.846 8.447 ( 16.979 23.056 -6.538) 29.370 8.953 ( -0.163 6.666 0.807) 6.717 9.651 ( 13.999 -16.356 -6.666) 22.537 9.989 ( -19.748 -4.748 -0.026) 20.311 11.317 ( -1.641 -9.449 -9.677) 13.625 11.412 ( 0.873 -15.378 20.447) 25.600 12.118 ( -5.617 12.066 4.159) 13.944 12.695 ( -9.734 7.595 -0.082) 12.347 13.198 ( -2.383 7.127 3.788) 8.416 14.734 ( 7.874 -4.005 -25.830) 27.299 15.480 ( -18.914 -17.666 14.093) 29.469 16.123 ( 9.805 -15.389 -0.041) 18.247 19.336 ( -2.633 12.062 0.107) 12.346 ======================= Grid point 22 (15/119) ======================= q-point: ( 0.47 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( -2.446 4.237 0.000) 4.892 2.225 ( 0.579 -1.003 0.000) 1.159 2.478 ( -1.966 3.404 -0.000) 3.931 2.602 ( 0.020 -0.034 -0.000) 0.039 2.932 ( -6.596 11.424 -0.000) 13.191 3.620 ( -0.687 1.190 0.000) 1.375 3.934 ( -1.274 2.206 -0.000) 2.548 4.388 ( 0.405 -0.702 0.000) 0.810 4.396 ( 0.953 -1.651 -0.000) 1.906 4.677 ( -3.577 6.195 0.000) 7.154 4.767 ( 0.447 -0.774 0.000) 0.893 5.591 ( 1.322 -2.290 0.000) 2.644 6.629 ( 3.126 -5.414 -0.000) 6.252 7.742 ( -0.121 0.210 0.000) 0.243 8.741 ( -3.240 5.611 -0.000) 6.479 9.084 ( -3.320 5.750 -0.000) 6.640 9.632 ( -4.932 8.542 -0.000) 9.863 9.753 ( 9.783 -16.944 -0.000) 19.566 11.214 ( 2.086 -3.613 -0.000) 4.172 11.364 ( 8.464 -14.660 0.000) 16.928 12.131 ( -6.094 10.555 0.000) 12.188 12.633 ( -6.776 11.737 0.000) 13.552 13.228 ( -2.641 4.575 -0.000) 5.283 14.891 ( 2.370 -4.105 0.000) 4.740 15.122 ( 4.053 -7.020 -0.000) 8.106 16.131 ( 9.135 -15.823 0.000) 18.271 19.374 ( -6.053 10.484 -0.000) 12.106 ======================= Grid point 33 (16/119) ======================= q-point: ( 0.13 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( 8.638 14.962 0.000) 17.276 1.528 ( 3.409 5.904 0.000) 6.817 1.933 ( 8.514 14.747 0.000) 17.028 2.175 ( 2.825 4.893 0.000) 5.650 2.403 ( 6.524 11.300 0.000) 13.048 2.433 ( 5.509 9.542 0.000) 11.018 3.227 ( 11.996 20.778 0.000) 23.993 3.279 ( 8.379 14.513 0.000) 16.758 4.367 ( -1.101 -1.907 0.000) 2.202 5.908 ( -11.273 -19.525 0.000) 22.545 6.833 ( -11.275 -19.529 0.000) 22.551 7.022 ( -2.209 -3.827 0.000) 4.419 7.285 ( -1.553 -2.689 0.000) 3.105 8.449 ( -11.005 -19.062 0.000) 22.010 8.503 ( -7.314 -12.668 0.000) 14.627 9.148 ( -16.205 -28.068 0.000) 32.410 10.328 ( -6.520 -11.292 0.000) 13.039 10.569 ( 2.750 4.763 0.000) 5.500 10.787 ( -3.690 -6.391 0.000) 7.379 11.767 ( 7.280 12.610 0.000) 14.560 12.018 ( 2.014 3.488 0.000) 4.027 12.812 ( -7.399 -12.815 0.000) 14.798 14.282 ( -6.030 -10.444 0.000) 12.060 15.750 ( -3.313 -5.738 0.000) 6.625 15.827 ( -12.421 -21.513 0.000) 24.842 17.221 ( -12.840 -22.240 0.000) 25.681 18.938 ( 5.031 8.713 0.000) 10.061 ======================= Grid point 34 (17/119) ======================= q-point: ( 0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( 10.060 10.648 -0.799) 14.671 1.672 ( 7.022 7.884 0.796) 10.588 2.277 ( 4.454 12.260 -0.205) 13.046 2.283 ( 6.637 16.985 -1.380) 18.288 2.503 ( -1.076 5.767 -8.578) 10.392 2.694 ( 9.691 10.943 11.341) 18.501 3.536 ( 5.902 12.189 -9.089) 16.310 3.660 ( 17.086 13.993 7.477) 23.316 4.411 ( 4.389 4.023 -0.731) 5.998 5.520 ( -10.532 -21.867 1.453) 24.315 6.396 ( -15.904 -19.648 -5.150) 25.798 6.908 ( -7.743 -1.883 -5.045) 9.431 7.225 ( -18.543 17.310 10.400) 27.416 7.865 ( -27.073 -4.918 1.384) 27.551 8.503 ( 19.489 -37.537 -12.198) 44.019 8.693 ( -1.630 -18.008 2.348) 18.233 9.940 ( -22.481 -8.976 6.850) 25.158 10.640 ( -3.959 -4.072 -2.447) 6.184 10.740 ( 13.913 -8.774 -0.915) 16.474 12.043 ( -3.093 3.361 8.229) 9.412 12.103 ( 8.946 17.739 8.236) 21.506 12.546 ( -6.819 -9.786 -7.331) 14.000 14.044 ( -14.421 -2.001 -5.019) 15.400 15.283 ( -20.605 -21.450 -2.754) 29.871 15.705 ( 8.430 -16.854 -0.239) 18.846 16.732 ( -17.013 -23.371 1.958) 28.973 19.143 ( 5.038 13.506 0.211) 14.417 ======================= Grid point 35 (18/119) ======================= q-point: ( 0.27 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( 9.208 8.590 -0.955) 12.629 1.916 ( 9.035 11.009 1.066) 14.282 2.385 ( 2.343 6.264 0.134) 6.689 2.528 ( 1.532 2.515 -3.113) 4.286 2.666 ( 5.896 26.056 -0.653) 26.723 2.972 ( 6.751 15.841 6.338) 18.349 3.714 ( 3.335 8.193 -12.283) 15.137 4.074 ( 16.997 7.314 8.227) 20.251 4.553 ( 6.459 3.075 -1.583) 7.327 5.098 ( -12.802 -21.068 2.921) 24.825 5.935 ( -14.884 -16.839 -3.966) 22.822 6.602 ( -40.036 -7.037 7.130) 41.270 6.776 ( -20.876 6.175 -11.194) 24.479 7.851 ( 9.638 18.966 3.137) 21.504 8.279 ( 2.289 -24.986 6.344) 25.880 8.790 ( 20.388 -17.208 -14.092) 30.172 9.477 ( -17.824 -8.863 7.354) 21.221 10.480 ( -8.123 -5.099 -0.690) 9.615 10.925 ( 15.560 -8.882 -5.982) 18.889 11.825 ( -14.217 -12.733 13.449) 23.348 12.308 ( -4.350 12.384 18.430) 22.626 12.614 ( 11.457 12.204 -10.998) 20.029 13.743 ( -21.237 4.510 -4.307) 22.134 14.771 ( -11.754 -20.595 -11.544) 26.374 15.700 ( 12.255 -20.576 -0.192) 23.950 16.179 ( -19.374 -23.408 4.834) 30.768 19.358 ( 2.414 15.583 0.199) 15.770 ======================= Grid point 36 (19/119) ======================= q-point: ( 0.33 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( 6.872 6.258 -1.247) 9.378 2.140 ( 3.270 9.933 -0.171) 10.459 2.481 ( 1.248 6.452 -0.774) 6.617 2.598 ( 3.607 0.464 3.939) 5.361 2.997 ( 1.943 25.205 0.196) 25.280 3.254 ( 7.614 17.394 -0.035) 18.988 3.850 ( 4.747 6.874 -9.249) 12.463 4.342 ( 9.048 -0.485 4.954) 10.327 4.609 ( -4.279 -8.939 3.004) 10.356 4.731 ( -5.107 -7.989 -2.307) 9.758 5.577 ( -15.755 -7.927 6.785) 18.897 5.746 ( -35.061 -11.828 -1.020) 37.016 6.594 ( -6.864 -0.554 -16.418) 17.804 7.952 ( -2.881 -16.298 18.886) 25.112 8.459 ( 13.587 29.269 -8.661) 33.411 8.935 ( 11.307 -8.545 -9.144) 16.866 9.249 ( 4.396 -10.667 2.706) 11.850 10.257 ( -13.823 -1.999 1.428) 14.040 11.060 ( 10.726 -11.243 -9.920) 18.435 11.421 ( -12.849 -16.311 17.187) 26.954 12.334 ( -5.491 10.614 7.923) 14.338 12.884 ( 0.909 13.008 3.052) 13.392 13.465 ( -16.845 11.078 0.312) 20.164 14.529 ( 4.637 -13.865 -22.647) 26.956 15.594 ( -15.582 -24.797 8.246) 30.426 15.727 ( 10.131 -20.461 1.078) 22.857 19.525 ( -1.473 15.759 0.119) 15.828 ======================= Grid point 37 (20/119) ======================= q-point: ( 0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( 3.261 4.759 -1.010) 5.857 2.222 ( -2.171 5.090 0.109) 5.535 2.553 ( -0.547 6.337 -2.565) 6.859 2.614 ( -1.397 -0.306 4.403) 4.629 3.209 ( -5.394 21.402 0.165) 22.072 3.581 ( 9.791 12.276 -1.414) 15.766 3.991 ( 1.262 5.285 -1.715) 5.698 4.355 ( -1.872 -2.917 1.233) 3.679 4.421 ( -2.728 -4.804 0.674) 5.565 4.655 ( 0.102 -6.699 -2.183) 7.047 5.004 ( -23.264 -2.458 5.202) 23.965 5.522 ( 1.730 -5.999 -0.720) 6.285 6.519 ( 0.800 -4.545 -8.474) 9.649 7.746 ( -2.855 -8.755 8.432) 12.486 8.860 ( 1.919 16.079 -4.270) 16.747 9.043 ( 10.818 -11.723 -3.775) 16.392 9.405 ( 13.460 6.865 -1.401) 15.174 9.959 ( -19.723 3.195 4.093) 20.395 11.076 ( 6.707 -13.228 -10.707) 18.292 11.134 ( -1.860 -12.687 13.997) 18.982 12.335 ( -5.666 9.482 2.521) 11.330 12.905 ( -8.758 11.793 1.798) 14.798 13.398 ( -7.932 13.336 2.117) 15.661 14.652 ( 18.203 -3.807 -22.514) 29.202 15.077 ( -13.671 -22.893 15.335) 30.760 15.730 ( 13.160 -22.289 0.028) 25.884 19.615 ( -5.730 14.537 0.038) 15.626 ======================= Grid point 49 (21/119) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( 6.680 11.571 0.000) 13.361 1.891 ( 7.977 13.817 0.000) 15.954 2.391 ( 2.634 4.563 0.000) 5.268 2.541 ( 0.555 0.962 0.000) 1.111 2.759 ( 13.563 23.493 0.000) 27.127 2.993 ( 9.630 16.680 0.000) 19.260 3.758 ( 5.242 9.079 0.000) 10.483 3.923 ( 7.222 12.508 0.000) 14.444 4.509 ( 2.987 5.174 0.000) 5.974 5.103 ( -11.384 -19.718 0.000) 22.768 5.977 ( -12.135 -21.018 0.000) 24.269 6.785 ( -7.755 -13.432 0.000) 15.510 7.544 ( 0.321 0.556 0.000) 0.642 7.575 ( -16.938 -29.338 0.000) 33.877 8.012 ( 6.741 11.676 0.000) 13.482 8.517 ( -0.334 -0.579 0.000) 0.668 9.615 ( -12.480 -21.616 0.000) 24.960 10.539 ( -2.615 -4.530 0.000) 5.230 10.703 ( 1.605 2.781 0.000) 3.211 11.891 ( -9.689 -16.782 0.000) 19.378 12.456 ( 0.745 1.291 0.000) 1.491 12.530 ( 12.642 21.897 0.000) 25.285 13.985 ( -2.515 -4.355 0.000) 5.029 14.791 ( -15.058 -26.081 0.000) 30.116 15.432 ( -5.732 -9.928 0.000) 11.464 16.229 ( -15.327 -26.546 0.000) 30.653 19.419 ( 7.760 13.440 0.000) 15.520 ======================= Grid point 50 (22/119) ======================= q-point: ( 0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.983 ( 6.014 7.816 -0.485) 9.874 2.188 ( 6.811 15.616 0.154) 17.037 2.465 ( 3.542 1.281 0.370) 3.785 2.586 ( 1.405 4.560 0.660) 4.817 3.183 ( 7.160 24.010 0.361) 25.057 3.314 ( 7.266 17.249 0.866) 18.737 3.888 ( 0.471 9.114 -8.097) 12.201 4.152 ( 10.775 0.729 6.240) 12.473 4.589 ( 1.120 0.460 -0.633) 1.366 4.751 ( -8.712 -13.314 0.367) 15.915 5.609 ( -8.353 -14.942 -0.813) 17.138 6.213 ( -30.968 -30.802 1.152) 43.693 6.927 ( -29.598 8.266 0.354) 30.733 7.623 ( 16.809 -28.626 -0.583) 33.201 8.523 ( 13.539 29.743 3.279) 32.844 8.614 ( 11.925 2.741 -9.197) 15.307 9.213 ( -7.682 -14.211 2.733) 16.384 10.433 ( -7.341 0.337 3.436) 8.112 10.804 ( 8.625 -3.411 -6.411) 11.275 11.473 ( -14.232 -21.306 6.162) 26.353 12.492 ( -1.799 6.308 4.731) 8.087 12.955 ( 9.631 20.226 1.997) 22.491 13.858 ( -13.006 6.152 -0.589) 14.399 14.348 ( -5.617 -20.733 -9.676) 23.559 15.289 ( 5.078 -19.878 -0.121) 20.517 15.689 ( -16.301 -25.007 3.299) 30.033 19.660 ( 3.802 14.023 0.053) 14.529 ======================= Grid point 51 (23/119) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( 4.750 5.196 -0.776) 7.083 2.343 ( -2.760 8.324 -0.033) 8.770 2.569 ( 4.594 3.039 -0.452) 5.527 2.661 ( 0.012 6.459 2.541) 6.941 3.486 ( 2.121 21.570 0.415) 21.678 3.575 ( 4.241 14.567 -0.464) 15.179 4.009 ( 3.546 8.878 -4.841) 10.715 4.291 ( 6.785 -3.770 3.194) 8.393 4.459 ( -7.823 -2.600 2.502) 8.615 4.621 ( -2.130 -5.652 -3.785) 7.129 5.350 ( -24.987 -20.400 10.164) 33.820 5.427 ( -4.234 -13.569 -6.421) 15.597 6.614 ( -14.637 3.903 -1.864) 15.262 7.588 ( 7.373 -19.946 -0.841) 21.282 8.582 ( 8.791 -23.180 1.453) 24.833 9.043 ( 2.074 20.519 -8.741) 22.399 9.355 ( 16.586 24.329 2.427) 29.545 10.284 ( -12.757 3.926 3.833) 13.887 10.879 ( 4.954 -6.514 -9.467) 12.514 11.050 ( -8.008 -20.414 11.004) 24.534 12.506 ( -3.979 6.721 3.081) 8.396 13.165 ( -6.912 14.751 7.308) 17.855 13.737 ( -10.997 15.301 2.187) 18.970 14.262 ( 15.048 -12.219 -21.280) 28.786 15.054 ( -9.842 -28.175 6.841) 30.618 15.319 ( 5.111 -20.199 1.853) 20.918 19.820 ( -1.179 13.092 0.038) 13.145 ======================= Grid point 52 (24/119) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.226 ( -0.839 1.452 0.000) 1.677 2.337 ( -2.754 4.769 0.000) 5.507 2.624 ( -1.379 2.388 -0.000) 2.758 2.695 ( -3.797 6.576 0.000) 7.593 3.629 ( -11.164 19.337 0.000) 22.328 3.723 ( -0.848 1.469 0.000) 1.696 4.124 ( -3.911 6.773 -0.000) 7.821 4.297 ( 1.816 -3.145 -0.000) 3.632 4.421 ( -2.500 4.331 -0.000) 5.001 4.505 ( 3.446 -5.969 0.000) 6.892 4.944 ( 1.822 -3.156 0.000) 3.644 5.372 ( 5.240 -9.076 0.000) 10.480 6.504 ( -2.987 5.174 -0.000) 5.974 7.536 ( 7.612 -13.185 0.000) 15.225 8.538 ( 16.533 -28.637 0.000) 33.067 9.177 ( -9.179 15.898 -0.000) 18.357 9.731 ( -8.080 13.996 -0.000) 16.161 10.123 ( -7.146 12.378 -0.000) 14.293 10.868 ( 8.008 -13.871 -0.000) 16.016 10.875 ( 3.429 -5.939 0.000) 6.857 12.502 ( -4.223 7.314 -0.000) 8.445 13.143 ( -7.352 12.734 0.000) 14.704 13.731 ( -11.032 19.108 0.000) 22.063 14.545 ( 12.333 -21.362 0.000) 24.666 14.610 ( 5.253 -9.098 -0.000) 10.506 15.283 ( 12.449 -21.562 -0.000) 24.898 19.876 ( -6.260 10.843 -0.000) 12.521 ======================= Grid point 66 (25/119) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( 3.763 6.518 0.000) 7.526 2.453 ( -0.712 -1.233 0.000) 1.424 2.498 ( 7.491 12.976 0.000) 14.983 2.698 ( 3.517 6.091 0.000) 7.034 3.536 ( 6.213 10.761 0.000) 12.425 3.669 ( 10.152 17.584 0.000) 20.304 4.063 ( 4.366 7.562 0.000) 8.732 4.154 ( 0.898 1.556 0.000) 1.796 4.566 ( -2.350 -4.071 0.000) 4.701 4.578 ( -1.606 -2.782 0.000) 3.212 5.351 ( -6.283 -10.883 0.000) 12.566 5.495 ( -21.399 -37.064 0.000) 42.798 7.084 ( -7.319 -12.677 0.000) 14.638 7.094 ( -1.847 -3.198 0.000) 3.693 8.399 ( -10.214 -17.692 0.000) 20.428 9.158 ( 6.560 11.363 0.000) 13.121 9.303 ( 20.823 36.066 0.000) 41.646 10.437 ( -0.741 -1.284 0.000) 1.482 10.784 ( 0.240 0.416 0.000) 0.481 11.017 ( -13.096 -22.683 0.000) 26.192 12.578 ( 1.612 2.793 0.000) 3.225 13.365 ( 10.774 18.662 0.000) 21.549 13.863 ( -5.596 -9.692 0.000) 11.192 14.095 ( 0.836 1.449 0.000) 1.673 14.908 ( -10.882 -18.847 0.000) 21.763 15.215 ( -12.102 -20.961 0.000) 24.203 19.898 ( 5.447 9.434 0.000) 10.894 ======================= Grid point 67 (26/119) ======================= q-point: ( 0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( 2.534 4.883 -0.220) 5.505 2.398 ( -2.719 -1.670 0.191) 3.197 2.678 ( 1.214 6.048 -0.135) 6.170 2.798 ( -0.003 6.046 0.342) 6.056 3.682 ( 4.345 1.568 -0.154) 4.622 3.933 ( -1.340 16.852 -0.240) 16.907 4.182 ( 3.570 6.372 0.296) 7.310 4.234 ( 4.026 -0.164 -0.727) 4.094 4.470 ( -5.012 -4.014 1.427) 6.577 4.573 ( -3.065 9.039 -2.114) 9.776 4.895 ( -9.878 -19.772 2.478) 22.241 5.181 ( 1.594 -13.606 -0.803) 13.722 6.748 ( -15.780 8.786 3.431) 18.384 7.202 ( 13.338 -16.891 -5.325) 22.172 8.079 ( 1.904 -23.524 1.578) 23.653 9.457 ( 2.182 22.717 -0.951) 22.841 9.877 ( 8.730 19.755 -1.094) 21.626 10.358 ( -8.540 2.464 1.114) 8.958 10.614 ( -0.517 -20.448 1.610) 20.518 10.826 ( 0.128 -0.318 -0.778) 0.850 12.617 ( -1.347 4.676 0.356) 4.879 13.465 ( -14.956 15.083 5.627) 21.974 13.939 ( 22.533 -3.879 -4.656) 23.333 14.165 ( -5.858 10.506 -6.137) 13.504 14.525 ( -6.537 -22.469 4.134) 23.763 14.919 ( 2.497 -19.855 0.776) 20.027 20.027 ( -0.366 7.246 0.005) 7.255 ======================= Grid point 82 (27/119) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 119 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.334 ( -2.089 -3.618 0.000) 4.178 2.334 ( 2.089 3.618 0.000) 4.178 2.741 ( -0.000 -0.000 0.000) 0.000 2.864 ( -0.000 -0.000 0.000) 0.000 3.678 ( -0.000 -0.000 0.000) 0.000 4.158 ( -2.718 -4.708 0.000) 5.436 4.158 ( 2.718 4.708 0.000) 5.436 4.353 ( -3.478 -6.024 0.000) 6.956 4.353 ( 3.478 6.024 0.000) 6.956 4.672 ( -0.000 -0.000 0.000) 0.000 4.870 ( -8.430 -14.600 0.000) 16.859 4.870 ( 8.430 14.600 0.000) 16.859 6.940 ( -5.158 -8.934 0.000) 10.317 6.940 ( 5.158 8.934 0.000) 10.317 7.805 ( -0.000 -0.000 0.000) 0.000 9.899 ( -8.844 -15.318 0.000) 17.688 9.899 ( 8.844 15.318 0.000) 17.688 10.382 ( -0.524 -0.907 0.000) 1.047 10.382 ( 0.524 0.907 0.000) 1.047 10.836 ( -0.000 -0.000 0.000) 0.000 12.674 ( -0.000 -0.000 0.000) 0.000 13.751 ( -6.281 -10.878 0.000) 12.561 13.751 ( 6.281 10.878 0.000) 12.561 14.225 ( -0.000 -0.000 0.000) 0.000 14.531 ( -9.225 -15.978 0.000) 18.450 14.531 ( 9.225 15.978 0.000) 18.450 20.101 ( -0.000 -0.000 0.000) 0.000 ======================= Grid point 241 (28/119) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 119 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.515 ( 0.000 0.000 23.693) 23.693 0.515 ( 0.000 -0.000 23.693) 23.693 0.859 ( -0.000 0.000 40.723) 40.723 1.648 ( 0.000 0.000 -7.561) 7.561 1.648 ( 0.000 0.000 -7.561) 7.561 2.025 ( 0.000 0.000 0.508) 0.508 2.025 ( 0.000 0.000 0.508) 0.508 2.975 ( 0.000 0.000 -20.549) 20.549 4.822 ( 0.000 0.000 5.058) 5.058 6.970 ( 0.000 -0.000 -0.335) 0.335 6.970 ( 0.000 0.000 -0.335) 0.335 7.407 ( -0.000 -0.000 -4.061) 4.061 7.407 ( 0.000 0.000 -4.061) 4.061 8.997 ( 0.000 0.000 0.003) 0.003 9.292 ( 0.000 0.000 10.892) 10.892 9.292 ( 0.000 0.000 10.892) 10.892 10.430 ( 0.000 -0.000 0.054) 0.054 10.761 ( 0.000 0.000 -10.019) 10.019 10.761 ( 0.000 -0.000 -10.019) 10.019 12.074 ( 0.000 -0.000 3.196) 3.196 12.074 ( 0.000 -0.000 3.196) 3.196 13.138 ( 0.000 -0.000 0.541) 0.541 15.652 ( 0.000 0.000 -0.019) 0.019 15.905 ( -0.000 -0.000 -0.022) 0.022 15.905 ( 0.000 0.000 -0.022) 0.022 18.969 ( 0.000 0.000 -1.125) 1.125 20.239 ( 0.000 0.000 0.777) 0.777 ======================= Grid point 242 (29/119) ======================= q-point: ( 0.07 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.523 ( 6.569 3.793 16.156) 17.848 0.671 ( 9.163 5.290 19.495) 22.181 1.290 ( 27.857 16.083 23.945) 40.101 1.690 ( 2.138 1.234 -5.101) 5.667 1.856 ( 13.083 7.553 -13.854) 20.498 2.037 ( 0.786 0.454 0.536) 1.054 2.132 ( 9.945 5.742 1.605) 11.595 2.751 ( -5.397 -3.116 -1.443) 6.397 4.693 ( -7.033 -4.060 -0.039) 8.121 6.838 ( -6.731 -3.886 -2.595) 8.194 7.093 ( -16.755 -9.673 -4.441) 19.850 7.584 ( 7.343 4.240 -0.025) 8.479 7.963 ( 24.370 14.070 -37.763) 47.095 8.724 ( 0.906 0.523 -17.962) 17.993 9.063 ( -12.460 -7.194 5.401) 15.368 9.567 ( 4.105 2.370 12.573) 13.437 10.366 ( -7.823 -4.516 -16.638) 18.932 10.588 ( -0.545 -0.315 3.589) 3.644 10.813 ( -1.433 -0.827 -4.831) 5.106 11.997 ( -4.520 -2.610 1.672) 5.481 12.014 ( -6.511 -3.759 2.513) 7.927 13.178 ( 2.197 1.268 0.711) 2.634 15.378 ( -21.809 -12.591 13.093) 28.383 15.936 ( 2.532 1.462 0.015) 2.924 16.010 ( 7.383 4.262 -3.632) 9.266 18.898 ( -6.598 -3.809 2.683) 8.077 19.235 ( -47.189 -27.245 45.219) 70.808 ======================= Grid point 243 (30/119) ======================= q-point: ( 0.13 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( 12.437 7.180 4.223) 14.969 0.967 ( 15.106 8.722 7.756) 19.090 1.753 ( 3.426 1.978 -1.791) 4.342 1.775 ( 10.283 5.937 -2.173) 12.071 2.062 ( 1.457 0.841 0.516) 1.760 2.216 ( 21.049 12.153 2.502) 24.434 2.506 ( 21.001 12.125 1.650) 24.306 2.826 ( 9.533 5.504 -0.269) 11.011 4.505 ( -8.946 -5.165 -4.569) 11.296 6.648 ( -9.962 -5.752 -4.958) 12.527 6.755 ( -10.840 -6.259 3.816) 13.086 7.631 ( -29.225 -16.873 -3.301) 33.907 7.716 ( 2.697 1.557 8.805) 9.339 8.768 ( -11.210 -6.472 -5.298) 13.986 9.005 ( -10.231 -5.907 -30.265) 32.489 9.430 ( 0.595 0.343 -2.561) 2.652 10.331 ( 4.274 2.468 -24.733) 25.220 10.690 ( -9.129 -5.271 2.015) 10.732 10.702 ( 8.727 5.038 3.886) 10.800 11.821 ( -8.639 -4.988 0.723) 10.002 11.883 ( -4.924 -2.843 -1.019) 5.776 13.194 ( -1.444 -0.834 2.881) 3.329 14.827 ( -24.288 -14.022 19.641) 34.238 16.012 ( 3.860 2.229 0.057) 4.457 16.084 ( -2.697 -1.557 -3.885) 4.979 18.320 ( -30.590 -17.661 30.526) 46.685 18.844 ( -2.789 -1.610 0.875) 3.337 ======================= Grid point 244 (31/119) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( 14.450 8.342 -2.507) 16.872 1.311 ( 13.698 7.909 3.334) 16.165 1.853 ( 5.295 3.057 1.378) 6.268 1.923 ( 6.143 3.547 -11.232) 13.284 2.107 ( 2.491 1.438 0.392) 2.903 2.688 ( 17.004 9.817 10.104) 22.082 2.956 ( 13.517 7.804 -3.557) 16.008 3.170 ( 21.986 12.694 2.574) 25.518 4.336 ( -4.044 -2.335 -4.193) 6.276 6.376 ( -13.374 -7.721 -8.639) 17.695 6.574 ( -8.398 -4.849 12.963) 16.189 6.966 ( -24.451 -14.117 -2.411) 28.337 7.605 ( -13.778 -7.955 23.349) 28.254 8.346 ( -34.004 -19.632 -5.405) 39.635 8.654 ( 2.558 1.477 -21.221) 21.426 9.512 ( -2.206 -1.273 -11.262) 11.546 10.401 ( -15.587 -8.999 8.785) 20.027 10.405 ( 0.268 0.155 -26.611) 26.613 10.980 ( 14.472 8.356 -5.264) 17.521 11.700 ( -0.093 -0.054 -2.479) 2.481 11.791 ( -2.594 -1.498 -2.711) 4.040 13.098 ( -6.844 -3.951 7.283) 10.747 14.287 ( -22.256 -12.849 18.650) 31.753 15.855 ( -16.908 -9.762 -1.665) 19.595 16.103 ( 3.858 2.227 0.065) 4.455 17.659 ( -27.383 -15.810 12.951) 34.169 18.842 ( 2.430 1.403 1.397) 3.134 ======================= Grid point 245 (32/119) ======================= q-point: ( 0.27 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( 15.192 8.771 -5.086) 18.264 1.581 ( 10.271 5.930 0.672) 11.879 2.003 ( 7.908 4.566 2.765) 9.541 2.125 ( 11.439 6.604 -4.991) 14.120 2.177 ( 3.488 2.014 0.200) 4.032 2.952 ( 5.575 3.218 11.263) 12.973 3.165 ( 6.830 3.943 -11.790) 14.184 3.731 ( 24.269 14.012 4.055) 28.316 4.362 ( 5.772 3.332 -1.855) 6.918 6.053 ( -13.918 -8.035 -13.049) 20.701 6.181 ( -21.646 -12.498 6.010) 25.708 6.581 ( -17.418 -10.056 1.045) 20.140 7.121 ( -26.501 -15.301 26.185) 40.275 7.730 ( -13.455 -7.768 6.085) 16.686 8.830 ( 10.703 6.179 -26.188) 28.958 9.315 ( -12.958 -7.481 -5.663) 15.998 9.989 ( -19.690 -11.368 15.322) 27.417 10.338 ( -5.226 -3.017 -23.986) 24.734 11.264 ( 8.065 4.657 -5.546) 10.839 11.776 ( 1.352 0.780 -2.437) 2.894 11.865 ( 13.760 7.944 -13.298) 20.719 12.887 ( -10.848 -6.263 14.685) 19.302 13.812 ( -18.637 -10.760 15.443) 26.488 15.348 ( -25.532 -14.741 -0.275) 29.483 16.184 ( 3.071 1.773 0.041) 3.547 17.045 ( -25.897 -14.952 3.786) 30.142 18.939 ( 5.502 3.177 1.168) 6.459 ======================= Grid point 246 (33/119) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( 12.168 7.025 -3.634) 14.513 1.819 ( 10.409 6.010 -0.133) 12.020 2.230 ( 11.607 6.701 0.953) 13.436 2.265 ( 4.461 2.575 0.137) 5.153 2.435 ( 14.999 8.659 2.238) 17.463 2.972 ( -2.354 -1.359 6.069) 6.650 3.344 ( 9.877 5.702 -11.738) 16.366 4.232 ( 17.921 10.347 2.371) 20.829 4.535 ( 7.617 4.398 -0.855) 8.837 5.650 ( -26.401 -15.242 2.306) 30.572 5.760 ( -11.352 -6.554 -13.204) 18.606 6.081 ( -19.688 -11.367 -4.012) 23.086 6.452 ( -29.538 -17.054 18.597) 38.848 7.757 ( 11.436 6.602 16.961) 21.495 9.020 ( -10.271 -5.930 -5.019) 12.878 9.057 ( 5.357 3.093 -20.162) 21.089 9.544 ( -15.670 -9.047 15.972) 24.135 10.192 ( -7.253 -4.187 -16.961) 18.916 11.331 ( -2.249 -1.298 -8.124) 8.529 11.844 ( 4.135 2.388 -0.842) 4.849 12.183 ( 8.504 4.910 -15.809) 18.611 12.667 ( -5.289 -3.053 18.322) 19.313 13.443 ( -12.417 -7.169 14.051) 20.075 14.756 ( -23.980 -13.845 -3.474) 27.907 16.244 ( 2.064 1.192 0.006) 2.383 16.469 ( -23.732 -13.701 1.596) 27.449 19.074 ( 5.746 3.317 0.703) 6.672 ======================= Grid point 247 (34/119) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( 6.187 3.572 -1.113) 7.230 2.034 ( 7.879 4.549 -0.151) 9.099 2.352 ( 3.721 2.148 0.033) 4.296 2.541 ( 13.215 7.630 -0.937) 15.288 2.690 ( 1.159 0.669 -0.317) 1.375 3.002 ( 10.899 6.293 1.949) 12.736 3.661 ( 17.488 10.097 -2.311) 20.325 4.487 ( 2.828 1.633 0.496) 3.304 4.656 ( 1.304 0.753 -3.809) 4.095 5.018 ( -24.430 -14.105 -3.158) 28.386 5.432 ( -21.090 -12.176 13.595) 27.890 5.767 ( -8.271 -4.775 3.497) 10.171 5.953 ( -7.525 -4.345 -17.674) 19.694 8.121 ( 18.908 10.917 8.938) 23.592 8.828 ( -20.412 -11.785 19.442) 30.554 8.913 ( 1.220 0.705 1.407) 1.992 9.512 ( 8.299 4.791 -15.340) 18.087 9.992 ( -10.754 -6.209 -8.499) 15.047 11.156 ( -12.314 -7.110 -17.276) 22.375 11.943 ( 3.947 2.279 0.878) 4.642 12.157 ( -6.332 -3.656 10.447) 12.751 12.627 ( -3.594 -2.075 1.166) 4.310 13.326 ( 2.332 1.346 15.648) 15.878 14.329 ( -10.701 -6.178 -14.850) 19.318 15.965 ( -19.551 -11.288 4.307) 22.983 16.280 ( 1.135 0.655 -0.024) 1.311 19.190 ( 4.069 2.349 0.371) 4.713 ======================= Grid point 248 (35/119) ======================= q-point: ( 0.47 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( 1.817 1.049 -0.365) 2.129 2.183 ( 4.875 2.815 -0.927) 5.705 2.423 ( 2.034 1.175 -0.344) 2.374 2.600 ( -5.059 -2.921 -4.233) 7.214 2.773 ( 5.676 3.277 -0.613) 6.583 3.397 ( 20.515 11.844 0.016) 23.689 4.007 ( 3.221 1.859 5.068) 6.286 4.387 ( -7.966 -4.599 -3.382) 9.800 4.461 ( -6.466 -3.733 -2.812) 7.978 4.776 ( -1.732 -1.000 -1.522) 2.513 4.907 ( -19.732 -11.392 17.596) 28.788 5.672 ( -1.173 -0.677 4.432) 4.634 6.082 ( 15.692 9.060 -30.273) 35.282 8.339 ( -20.483 -11.826 27.848) 36.536 8.574 ( 17.249 9.959 1.316) 19.961 9.047 ( 10.513 6.070 9.858) 15.638 9.649 ( -19.262 -11.121 -3.928) 22.586 9.715 ( 8.228 4.750 -15.698) 18.349 10.856 ( -10.985 -6.342 -26.630) 29.497 12.006 ( 1.135 0.655 1.833) 2.254 12.014 ( -5.436 -3.138 20.247) 21.198 12.519 ( -3.123 -1.803 0.054) 3.607 13.342 ( -3.913 -2.259 13.506) 14.242 14.366 ( 13.826 7.983 -24.437) 29.190 15.581 ( -13.501 -7.795 9.890) 18.462 16.297 ( 0.360 0.208 -0.041) 0.418 19.254 ( 1.414 0.816 0.208) 1.646 ======================= Grid point 249 (36/119) ======================= q-point: (-0.47 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.044 ( -1.524 -0.880 -0.300) 1.786 2.227 ( -2.011 -1.161 -0.255) 2.336 2.430 ( -1.551 -0.895 -0.214) 1.804 2.528 ( -0.435 -0.251 -4.941) 4.966 2.776 ( -5.356 -3.092 -0.610) 6.215 3.590 ( -17.190 -9.925 4.948) 20.457 3.959 ( 9.964 5.753 1.748) 11.637 4.347 ( 10.065 5.811 -5.855) 13.014 4.520 ( -0.331 -0.191 1.708) 1.750 4.645 ( -1.636 -0.945 6.791) 7.049 4.768 ( 2.874 1.659 -2.845) 4.371 5.671 ( 1.616 0.933 4.640) 5.001 6.589 ( 26.199 15.126 -22.641) 37.786 7.929 ( -13.922 -8.038 24.450) 29.261 8.736 ( -3.908 -2.257 8.429) 9.562 8.968 ( -23.842 -13.765 1.710) 27.584 9.647 ( 26.967 15.569 1.919) 31.198 9.872 ( 5.129 2.961 -9.296) 11.023 10.712 ( -1.864 -1.076 -32.995) 33.065 11.906 ( -4.583 -2.646 18.623) 19.360 11.990 ( -2.466 -1.424 1.581) 3.257 12.537 ( 4.823 2.785 0.690) 5.612 13.195 ( -6.735 -3.888 5.018) 9.255 14.850 ( 25.731 14.856 -20.708) 36.216 15.351 ( -6.294 -3.634 16.241) 17.793 16.297 ( -0.341 -0.197 -0.037) 0.395 19.253 ( -1.567 -0.905 0.176) 1.818 ======================= Grid point 250 (37/119) ======================= q-point: (-0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.965 ( -5.468 -3.157 -0.836) 6.369 2.095 ( -8.602 -4.966 0.713) 9.958 2.360 ( -4.066 -2.348 0.199) 4.700 2.558 ( 1.926 1.112 -3.725) 4.338 2.560 ( -12.323 -7.115 -0.688) 14.246 3.115 ( -21.004 -12.127 5.227) 24.810 4.011 ( -2.300 -1.328 9.609) 9.969 4.297 ( -14.834 -8.564 -9.173) 19.430 4.761 ( -0.104 -0.060 -1.388) 1.393 4.830 ( 16.576 9.570 -3.870) 19.528 4.991 ( 29.589 17.083 -3.479) 34.343 5.829 ( 13.576 7.838 4.883) 16.419 7.120 ( 13.291 7.674 12.843) 20.012 7.821 ( 10.057 5.806 -8.996) 14.689 8.262 ( -24.714 -14.268 16.820) 33.125 8.742 ( -2.153 -1.243 -7.135) 7.555 9.943 ( 0.833 0.481 -0.153) 0.974 10.270 ( 20.215 11.671 6.963) 24.359 10.757 ( 7.361 4.250 -39.467) 40.372 11.767 ( -7.877 -4.548 11.034) 14.300 11.906 ( -4.274 -2.467 0.189) 4.939 12.680 ( 4.382 2.530 1.611) 5.310 13.163 ( 7.969 4.601 4.585) 10.281 15.279 ( 1.489 0.860 12.039) 12.161 15.506 ( 28.923 16.699 -8.320) 34.418 16.281 ( -1.122 -0.648 -0.012) 1.296 19.184 ( -4.321 -2.495 0.252) 4.995 ======================= Grid point 251 (38/119) ======================= q-point: (-0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( -8.484 -4.898 -2.564) 10.126 1.868 ( -10.261 -5.924 0.599) 11.863 2.244 ( -13.447 -7.764 1.363) 15.587 2.265 ( -4.891 -2.824 0.115) 5.649 2.560 ( -6.378 -3.682 -8.776) 11.456 2.694 ( -10.463 -6.041 11.967) 17.005 3.834 ( -16.547 -9.554 -4.611) 19.656 3.931 ( -12.518 -7.227 0.358) 14.459 4.613 ( -9.212 -5.319 0.721) 10.662 5.341 ( 26.091 15.064 -10.473) 31.896 5.708 ( 28.203 16.283 2.767) 32.683 6.269 ( 22.597 13.047 0.968) 26.111 7.181 ( -2.051 -1.184 31.279) 31.368 7.858 ( -8.528 -4.924 22.707) 24.751 8.364 ( 29.888 17.256 -29.911) 45.669 8.798 ( 8.199 4.734 -10.497) 14.136 9.906 ( -3.895 -2.249 9.934) 10.905 10.409 ( -4.494 -2.595 -26.656) 27.157 11.082 ( 15.556 8.981 -14.910) 23.345 11.548 ( -10.587 -6.112 4.739) 13.111 11.822 ( -2.403 -1.387 -1.348) 3.085 12.731 ( 2.803 1.618 5.951) 6.774 13.569 ( 23.565 13.605 8.102) 28.392 15.388 ( 8.358 4.825 13.694) 16.753 16.194 ( 30.036 17.342 -6.537) 35.294 16.244 ( -2.077 -1.199 0.018) 2.398 19.060 ( -6.141 -3.546 0.443) 7.105 ======================= Grid point 252 (39/119) ======================= q-point: (-0.27 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( -8.387 -4.843 -3.152) 10.185 1.650 ( -8.646 -4.992 1.922) 10.167 1.920 ( -13.446 -7.763 2.993) 15.812 2.176 ( -3.564 -2.058 0.159) 4.119 2.266 ( -12.170 -7.026 -10.424) 17.496 2.627 ( -3.295 -1.902 10.869) 11.515 3.405 ( -18.054 -10.423 -10.180) 23.199 3.607 ( -17.104 -9.875 6.237) 20.711 4.422 ( -5.737 -3.312 -0.537) 6.646 5.969 ( 27.091 15.641 -12.861) 33.822 6.215 ( 16.656 9.616 6.348) 20.253 6.800 ( 22.090 12.753 7.537) 26.597 7.142 ( -0.933 -0.539 23.724) 23.748 7.903 ( 11.916 6.880 11.912) 18.199 9.022 ( 24.805 14.321 -28.593) 40.472 9.140 ( 20.348 11.748 -7.962) 24.808 9.797 ( -3.787 -2.186 18.560) 19.068 10.200 ( -12.043 -6.953 -43.502) 45.670 11.254 ( -8.091 -4.672 -3.588) 10.008 11.384 ( 4.172 2.409 -0.675) 4.865 11.813 ( 1.709 0.987 -1.544) 2.506 12.863 ( 8.225 4.749 8.415) 12.689 14.127 ( 23.489 13.561 13.081) 30.112 15.652 ( 13.570 7.834 7.676) 17.448 16.184 ( -3.111 -1.796 0.041) 3.593 16.882 ( 29.501 17.032 0.465) 34.068 18.916 ( -5.894 -3.403 0.719) 6.844 ======================= Grid point 253 (40/119) ======================= q-point: (-0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( -11.218 -6.477 4.504) 13.714 1.428 ( -11.630 -6.715 5.161) 14.387 1.671 ( -6.921 -3.996 -2.933) 8.513 2.045 ( -8.453 -4.880 -16.143) 18.864 2.102 ( -2.752 -1.589 0.233) 3.187 2.436 ( -12.525 -7.231 13.167) 19.558 3.004 ( -17.970 -10.375 -3.841) 21.103 3.169 ( -19.355 -11.174 3.016) 22.551 4.401 ( 3.896 2.249 -3.078) 5.451 6.541 ( 21.667 12.510 -11.660) 27.603 6.588 ( 17.467 10.084 10.195) 22.599 7.134 ( -0.047 -0.027 14.078) 14.079 7.268 ( 19.534 11.278 12.808) 25.939 8.327 ( 22.138 12.781 -10.465) 27.622 9.359 ( 3.293 1.901 -8.109) 8.957 9.539 ( 3.949 2.280 -18.215) 18.777 9.893 ( 13.880 8.014 5.443) 16.926 9.996 ( 2.529 1.460 -29.611) 29.755 10.997 ( -11.722 -6.768 -2.404) 13.747 11.506 ( 5.575 3.219 -0.991) 6.513 11.890 ( 4.551 2.628 -0.396) 5.270 13.062 ( 7.849 4.531 6.588) 11.205 14.636 ( 20.851 12.038 17.520) 29.776 15.944 ( 9.990 5.768 -0.193) 11.537 16.102 ( -3.898 -2.250 0.046) 4.501 17.558 ( 29.239 16.881 12.577) 36.029 18.815 ( -2.220 -1.282 0.835) 2.696 ======================= Grid point 254 (41/119) ======================= q-point: (-0.13 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( -14.366 -8.294 12.856) 20.987 1.100 ( -16.551 -9.555 5.828) 19.980 1.597 ( -0.518 -0.299 -8.203) 8.225 1.718 ( -21.562 -12.449 4.559) 25.312 2.052 ( -1.594 -0.920 0.291) 1.864 2.186 ( -8.003 -4.621 -2.661) 9.617 2.544 ( -20.732 -11.970 2.010) 24.024 2.798 ( -11.316 -6.534 -0.873) 13.096 4.545 ( 7.161 4.134 -3.884) 9.135 6.949 ( 13.705 7.913 -6.180) 16.989 7.020 ( 18.439 10.646 11.593) 24.243 7.125 ( -0.982 -0.567 3.543) 3.720 7.761 ( 23.476 13.554 5.432) 27.647 8.744 ( 5.678 3.278 -44.666) 45.145 9.315 ( -9.989 -5.767 -20.612) 23.619 9.369 ( 0.233 0.135 9.334) 9.338 10.261 ( 15.334 8.853 -8.387) 19.592 10.274 ( 11.954 6.902 -0.644) 13.819 10.759 ( -7.604 -4.390 -0.764) 8.813 11.680 ( 9.870 5.699 -0.912) 11.434 12.000 ( 4.452 2.570 1.207) 5.281 13.187 ( 2.567 1.482 3.776) 4.800 15.101 ( 19.416 11.210 17.877) 28.675 16.011 ( -3.871 -2.235 0.026) 4.469 16.053 ( -0.956 -0.552 -4.858) 4.982 18.250 ( 31.679 18.290 30.911) 47.891 18.834 ( 3.946 2.278 0.967) 4.657 ======================= Grid point 255 (42/119) ======================= q-point: (-0.07 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.688 ( -17.701 -10.219 10.261) 22.870 0.756 ( -13.240 -7.644 18.762) 24.203 1.171 ( -22.149 -12.788 27.249) 37.372 1.612 ( 1.365 0.788 -8.729) 8.870 1.936 ( -15.717 -9.074 -10.955) 21.199 2.028 ( -0.517 -0.299 0.394) 0.716 2.149 ( -10.995 -6.348 2.028) 12.857 2.731 ( 7.026 4.056 -2.025) 8.361 4.698 ( 6.161 3.557 -0.119) 7.115 7.064 ( -3.075 -1.775 4.641) 5.844 7.215 ( 8.941 5.162 -9.119) 13.775 7.354 ( 8.354 4.823 1.834) 9.820 7.956 ( -35.654 -20.585 -48.170) 63.366 8.582 ( 14.189 8.192 -15.748) 22.725 9.343 ( 1.804 1.041 5.032) 5.446 9.374 ( -0.794 -0.458 12.861) 12.894 10.423 ( 1.686 0.973 -2.008) 2.796 10.566 ( 10.962 6.329 -11.463) 17.077 10.720 ( 4.216 2.434 0.541) 4.898 11.928 ( 10.002 5.775 1.440) 11.639 12.075 ( 1.772 1.023 2.719) 3.402 13.182 ( -2.348 -1.356 1.076) 2.917 15.505 ( 13.856 8.000 10.144) 18.945 15.934 ( -2.494 -1.440 -0.011) 2.880 15.946 ( -5.609 -3.238 -3.019) 7.146 18.886 ( 8.897 5.137 3.755) 10.938 19.223 ( 47.168 27.233 44.909) 70.592 ======================= Grid point 257 (43/119) ======================= q-point: ( 0.07 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( -3.352 17.387 15.936) 23.822 0.949 ( 4.897 21.867 3.264) 22.645 1.605 ( 10.108 7.394 0.615) 12.539 1.709 ( 12.548 9.450 3.833) 16.169 2.051 ( 1.349 1.653 0.321) 2.157 2.116 ( 5.435 13.159 -6.288) 15.564 2.393 ( 9.384 19.427 2.343) 21.702 2.755 ( 5.311 6.137 -0.815) 8.157 4.574 ( -5.636 -7.251 -3.713) 9.906 6.794 ( -16.561 -9.979 8.880) 21.276 6.972 ( -13.854 1.015 -10.679) 17.522 7.492 ( 15.590 -11.753 5.448) 20.270 7.868 ( -16.603 -20.130 -2.638) 26.227 8.707 ( -0.127 -7.943 -34.493) 35.396 9.171 ( -0.299 16.851 -21.352) 27.202 9.479 ( -3.681 -8.320 15.438) 17.919 10.256 ( -2.511 -9.619 -20.860) 23.108 10.542 ( 7.616 -5.714 6.181) 11.352 10.719 ( -0.218 -2.898 -2.244) 3.672 11.781 ( -2.532 -12.688 -0.184) 12.939 12.004 ( -4.609 -1.417 1.120) 4.950 13.201 ( -0.135 -0.332 2.724) 2.747 15.133 ( -20.427 -13.173 17.353) 29.865 15.890 ( 1.091 -2.475 0.304) 2.721 16.131 ( 3.314 4.209 -4.596) 7.058 18.484 ( -16.602 -34.224 35.864) 52.279 18.867 ( -2.781 -5.071 1.626) 6.008 ======================= Grid point 258 (44/119) ======================= q-point: ( 0.13 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( 5.732 16.340 7.505) 18.872 1.258 ( 6.754 17.946 0.034) 19.175 1.739 ( 6.852 1.273 -3.825) 7.950 1.946 ( 2.960 8.779 -7.375) 11.841 2.100 ( 1.646 3.082 0.258) 3.503 2.492 ( 17.521 13.282 9.271) 23.861 2.803 ( 14.731 15.089 -1.023) 21.112 3.010 ( 12.526 14.224 0.652) 18.964 4.393 ( -6.231 -5.306 -4.698) 9.437 6.441 ( -9.971 -15.427 11.404) 21.621 6.769 ( -12.778 4.465 -7.624) 15.535 7.223 ( -23.376 -20.832 -0.726) 31.320 7.647 ( 2.944 -7.341 11.155) 13.675 8.461 ( -1.624 -18.536 -20.065) 27.365 8.915 ( -35.289 -4.812 5.742) 36.075 9.470 ( 3.452 -1.886 -12.378) 12.988 10.260 ( 9.348 -9.279 -25.625) 28.812 10.592 ( -9.310 -0.179 1.984) 9.521 10.684 ( 14.564 -9.729 -4.736) 18.144 11.636 ( -0.394 -7.018 -2.093) 7.335 11.931 ( -4.686 3.764 -0.895) 6.077 13.149 ( -3.559 -4.148 6.059) 8.160 14.628 ( -25.188 -6.932 18.300) 31.896 15.895 ( 3.040 -7.847 0.236) 8.418 16.080 ( -7.025 -5.324 -2.453) 9.149 17.864 ( -19.945 -26.385 18.277) 37.789 18.841 ( 1.022 2.204 1.070) 2.655 ======================= Grid point 259 (45/119) ======================= q-point: ( 0.20 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( 9.778 14.603 1.483) 17.637 1.514 ( 6.639 10.492 -0.582) 12.430 1.920 ( 8.704 8.727 0.537) 12.337 2.094 ( 3.683 10.926 -7.667) 13.847 2.169 ( 1.854 4.649 -0.014) 5.005 2.847 ( 11.467 5.663 10.536) 16.570 3.099 ( 7.326 7.245 -8.789) 13.543 3.480 ( 21.154 16.888 4.062) 27.371 4.320 ( 1.414 1.070 -2.814) 3.326 6.096 ( -9.782 -20.435 7.469) 23.856 6.483 ( -24.439 -6.679 -7.884) 26.534 6.745 ( -11.522 -6.166 -0.824) 13.094 7.489 ( -15.207 -0.183 22.806) 27.412 8.076 ( -34.877 -7.879 2.054) 35.815 8.544 ( 13.041 -12.601 -19.292) 26.477 9.339 ( -5.139 -17.580 -0.932) 18.340 10.183 ( -12.143 -9.232 1.420) 15.320 10.407 ( -5.871 -1.358 -23.367) 24.131 10.902 ( 21.234 -14.215 -7.024) 26.501 11.703 ( 9.827 5.146 -9.233) 14.432 11.921 ( -3.774 8.557 -1.700) 9.505 12.993 ( -8.052 -6.425 11.875) 15.720 14.143 ( -25.144 -2.328 15.949) 29.866 15.612 ( -21.450 -14.060 0.239) 25.648 16.014 ( 8.619 -11.507 0.104) 14.377 17.263 ( -20.909 -23.076 6.144) 31.741 18.934 ( 3.130 8.114 1.128) 8.770 ======================= Grid point 260 (46/119) ======================= q-point: ( 0.27 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( 10.504 11.177 -0.331) 15.342 1.735 ( 8.203 9.323 -0.966) 12.456 2.200 ( 8.115 16.717 2.837) 18.798 2.255 ( 2.239 5.917 -0.080) 6.327 2.304 ( 8.685 10.033 -2.786) 13.559 3.000 ( 1.757 2.755 9.318) 9.874 3.260 ( 5.964 5.806 -14.333) 16.574 4.003 ( 20.751 12.478 3.772) 24.505 4.441 ( 7.529 4.197 -1.262) 8.711 5.683 ( -12.145 -25.224 4.637) 28.377 6.003 ( -18.593 -9.002 -10.788) 23.305 6.434 ( -22.333 -0.486 -7.297) 23.500 6.993 ( -42.457 -1.992 23.697) 48.663 7.731 ( 0.336 7.849 14.417) 16.419 8.735 ( 20.599 -14.531 -22.969) 34.104 9.034 ( -5.800 -19.571 2.415) 20.554 9.775 ( -19.983 -9.991 8.870) 24.038 10.306 ( -6.451 -0.117 -20.158) 21.165 11.082 ( 16.565 -15.935 -6.059) 23.771 11.904 ( -2.029 5.721 -5.018) 7.876 12.059 ( 13.128 10.539 -15.239) 22.708 12.777 ( -9.176 -3.414 18.713) 21.119 13.722 ( -22.328 0.897 13.144) 25.925 15.026 ( -25.388 -17.359 0.135) 30.756 16.059 ( 10.477 -13.688 0.053) 17.237 16.682 ( -20.593 -20.879 1.217) 29.351 19.087 ( 2.686 11.413 0.749) 11.748 ======================= Grid point 261 (47/119) ======================= q-point: ( 0.33 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( 7.923 7.392 0.041) 10.836 1.961 ( 6.725 7.795 -0.579) 10.311 2.350 ( 1.749 5.977 0.179) 6.230 2.509 ( 6.423 19.076 -0.649) 20.139 2.604 ( 12.178 7.853 2.967) 14.791 3.012 ( -2.062 6.952 2.202) 7.578 3.487 ( 12.873 8.664 -8.181) 17.542 4.388 ( 11.727 4.800 1.544) 12.765 4.601 ( 6.043 1.995 -1.522) 6.544 5.168 ( -17.304 -24.602 2.123) 30.153 5.691 ( -8.249 -6.899 -10.859) 15.283 6.003 ( -32.637 2.576 3.357) 32.911 6.257 ( -28.787 -4.747 5.356) 29.663 7.995 ( 11.751 16.721 12.343) 23.875 8.783 ( 1.892 -23.094 6.594) 24.091 8.895 ( 6.767 -7.378 -9.860) 14.051 9.421 ( -6.350 -6.101 1.754) 8.979 10.171 ( -10.232 1.620 -11.477) 15.461 11.130 ( 4.964 -14.310 -9.986) 18.142 11.855 ( -2.192 -5.699 -0.525) 6.128 12.283 ( -0.691 6.154 -4.498) 7.653 12.709 ( -1.400 7.485 7.376) 10.601 13.430 ( -12.118 5.035 13.765) 19.018 14.469 ( -17.921 -14.841 -6.261) 24.096 16.097 ( 10.253 -15.065 -0.021) 18.223 16.146 ( -18.082 -18.225 1.950) 25.748 19.237 ( 0.429 12.413 0.405) 12.427 ======================= Grid point 262 (48/119) ======================= q-point: ( 0.40 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( 2.426 6.143 0.123) 6.606 2.119 ( 5.243 3.939 -0.789) 6.605 2.425 ( 0.638 4.300 -0.041) 4.347 2.666 ( -3.315 -0.488 -1.962) 3.882 2.808 ( 2.379 17.049 -0.626) 17.226 3.242 ( 13.225 16.289 0.792) 20.996 3.862 ( 16.770 9.105 2.281) 19.218 4.455 ( -3.366 -4.010 0.621) 5.273 4.582 ( -12.672 -9.586 -7.157) 17.427 4.748 ( -1.396 -7.746 2.525) 8.265 5.312 ( -35.060 -3.970 17.899) 39.565 5.610 ( 2.762 -7.416 -3.131) 8.510 6.046 ( -2.178 8.471 -21.661) 23.360 8.401 ( 10.210 8.472 4.896) 14.142 8.468 ( -5.343 -14.109 16.678) 22.489 8.992 ( 6.070 7.554 6.062) 11.430 9.447 ( 13.180 -9.436 -11.720) 20.003 9.956 ( -17.560 1.109 -3.950) 18.033 10.952 ( -8.218 -11.737 -19.655) 24.323 11.773 ( 4.673 -13.674 8.872) 16.956 12.247 ( -8.192 6.114 6.109) 11.909 12.692 ( -10.053 9.262 -0.277) 13.672 13.414 ( -2.789 6.169 16.174) 17.534 14.221 ( 4.382 -4.349 -21.025) 21.913 15.699 ( -13.484 -15.403 6.674) 21.532 16.121 ( 9.878 -15.511 -0.124) 18.390 19.340 ( -2.719 11.896 0.202) 12.205 ======================= Grid point 263 (49/119) ======================= q-point: ( 0.47 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.101 ( -2.456 4.894 0.148) 5.478 2.213 ( 2.218 0.114 -0.912) 2.400 2.455 ( -0.357 1.946 -1.670) 2.589 2.578 ( -5.091 0.675 -2.309) 5.631 2.925 ( -6.538 11.305 -0.579) 13.072 3.646 ( 9.556 8.347 2.740) 12.981 3.949 ( -7.561 -1.621 1.072) 7.807 4.319 ( -4.323 -2.795 -4.810) 7.045 4.461 ( 7.154 2.275 4.715) 8.865 4.723 ( 1.787 -2.825 -1.852) 3.822 4.825 ( -15.773 1.974 11.111) 19.394 5.617 ( 3.322 -4.160 2.040) 5.701 6.300 ( 18.947 10.587 -25.142) 33.214 8.036 ( -12.330 -17.153 21.853) 30.394 8.770 ( 4.177 9.311 2.560) 10.522 9.229 ( 2.089 7.932 13.394) 15.706 9.553 ( -3.393 5.445 -7.150) 9.607 9.644 ( 4.216 -10.959 -9.503) 15.105 10.741 ( -3.872 -5.088 -26.498) 27.258 11.732 ( 6.124 -14.531 15.522) 22.127 12.157 ( -8.037 4.937 2.995) 9.896 12.642 ( -6.840 12.015 0.671) 13.842 13.323 ( -9.407 0.978 9.113) 13.133 14.532 ( 24.544 8.658 -22.448) 34.370 15.383 ( -6.785 -12.193 13.220) 19.222 16.129 ( 9.228 -15.903 -0.124) 18.387 19.376 ( -6.083 10.383 0.121) 12.035 ======================= Grid point 265 (50/119) ======================= q-point: (-0.47 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.063 ( -6.313 2.309 0.315) 6.729 2.168 ( -5.011 -3.949 0.126) 6.381 2.446 ( -5.186 2.335 0.378) 5.700 2.530 ( 0.631 -0.176 -4.467) 4.515 2.810 ( -15.866 6.159 -0.572) 17.029 3.382 ( -21.165 -9.049 3.992) 23.362 4.026 ( 0.228 1.206 7.246) 7.349 4.398 ( -3.439 -5.414 -3.073) 7.112 4.485 ( 14.086 1.500 -4.764) 14.946 4.791 ( 3.856 0.566 0.251) 3.905 4.921 ( 10.209 25.071 -1.594) 27.117 5.686 ( 9.227 1.800 4.497) 10.422 6.823 ( 26.981 7.499 -9.402) 29.540 7.727 ( -5.058 -10.811 8.762) 14.807 8.708 ( -23.908 1.399 17.854) 29.872 8.877 ( -16.110 2.760 -6.647) 17.644 9.705 ( 13.921 -17.210 -2.727) 22.303 10.007 ( 23.455 16.064 3.655) 28.663 10.732 ( 3.405 4.143 -33.323) 33.751 11.658 ( 2.109 -16.342 14.276) 21.802 12.071 ( -7.737 4.878 -0.802) 9.181 12.698 ( -0.607 10.011 0.207) 10.031 13.215 ( -4.628 7.657 4.282) 9.919 15.121 ( 27.303 10.680 -20.273) 35.644 15.235 ( 3.895 -6.634 21.289) 22.637 16.122 ( 8.508 -16.215 -0.079) 18.312 19.337 ( -9.129 8.235 0.137) 12.295 ======================= Grid point 266 (51/119) ======================= q-point: (-0.40 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.924 ( -10.079 -1.481 0.240) 10.190 1.983 ( -10.009 -5.606 0.602) 11.487 2.350 ( -6.461 1.016 -0.046) 6.540 2.517 ( -14.050 1.652 -2.630) 14.389 2.578 ( -4.589 1.377 -0.468) 4.814 2.936 ( -21.120 -4.727 4.488) 22.103 3.964 ( -7.143 -4.114 7.698) 11.279 4.095 ( -15.033 -10.162 -10.211) 20.821 4.684 ( -3.733 -5.332 0.376) 6.520 4.968 ( 23.424 5.853 -3.022) 24.332 5.533 ( 23.913 29.702 -5.320) 38.501 6.028 ( 19.226 13.531 3.041) 23.705 7.145 ( 4.636 -3.252 26.294) 26.897 7.784 ( 17.974 -3.926 -14.827) 23.629 8.279 ( -17.237 7.009 13.510) 22.995 8.848 ( 0.161 12.558 -11.513) 17.037 9.716 ( 9.693 -21.592 6.136) 24.450 10.376 ( 7.891 -0.413 -8.767) 11.802 10.963 ( 10.274 13.285 -29.073) 33.575 11.483 ( -1.068 -16.937 10.311) 19.858 11.987 ( -7.905 5.962 -2.760) 10.279 12.744 ( -1.590 3.645 3.226) 5.121 13.427 ( 12.386 20.321 6.038) 24.552 15.232 ( 9.057 -5.481 15.262) 18.574 15.812 ( 31.618 13.631 -8.828) 35.545 16.100 ( 7.724 -16.247 0.030) 17.990 19.229 ( -11.290 5.809 0.247) 12.699 ======================= Grid point 267 (52/119) ======================= q-point: (-0.33 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( -10.544 -4.540 -0.938) 11.519 1.748 ( -10.039 -5.904 2.369) 11.885 2.206 ( -19.623 3.147 -0.068) 19.874 2.255 ( -6.657 1.378 0.168) 6.800 2.472 ( -13.917 -3.809 -10.798) 18.022 2.668 ( -4.609 1.919 12.606) 13.559 3.614 ( -18.261 -11.447 -11.765) 24.554 3.803 ( -14.186 -5.573 6.653) 16.630 4.498 ( -8.018 -5.676 0.018) 9.824 5.503 ( 29.924 4.117 -2.652) 30.322 6.223 ( 18.553 29.354 -2.358) 34.805 6.487 ( 19.344 8.565 -2.004) 21.250 7.141 ( 1.257 -0.744 23.191) 23.237 7.881 ( -1.232 5.882 21.416) 22.243 8.495 ( 28.930 -0.128 -16.688) 33.399 9.162 ( 12.623 26.416 -17.039) 33.874 9.615 ( 6.563 -25.420 15.195) 30.334 10.351 ( -7.590 -1.820 -33.190) 34.095 11.096 ( 5.290 -17.011 -9.801) 20.332 11.422 ( 0.205 6.921 0.398) 6.936 11.932 ( -5.938 7.544 -2.663) 9.964 12.794 ( 4.189 4.158 8.806) 10.601 13.929 ( 18.752 20.450 9.968) 29.482 15.423 ( 16.459 -1.013 11.327) 20.006 16.060 ( 6.692 -15.645 0.096) 17.016 16.497 ( 31.705 12.616 -3.859) 34.340 19.073 ( -11.714 3.547 0.466) 12.248 ======================= Grid point 268 (53/119) ======================= q-point: (-0.27 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( -10.853 -8.156 5.423) 14.620 1.542 ( -6.859 -3.119 -0.555) 7.555 1.909 ( -18.477 3.656 1.434) 18.889 2.156 ( -6.837 -0.938 -4.346) 8.155 2.193 ( -10.951 -1.649 -10.978) 15.594 2.602 ( -8.505 1.107 12.818) 15.423 3.209 ( -16.772 -8.834 -8.474) 20.764 3.433 ( -20.721 -6.694 5.132) 22.372 4.367 ( -0.956 -2.239 -1.907) 3.092 6.032 ( 28.363 -0.358 4.445) 28.712 6.670 ( 6.232 22.076 -10.192) 25.101 6.950 ( 26.494 2.990 8.238) 27.906 7.174 ( -0.928 6.024 16.817) 17.887 8.054 ( 14.332 5.078 -0.204) 15.206 9.040 ( 28.896 2.481 -7.620) 29.986 9.458 ( 6.477 -19.193 13.555) 24.373 9.730 ( 17.755 22.323 -9.980) 30.219 10.141 ( -13.483 2.097 -42.590) 44.722 10.966 ( 1.784 -18.757 -2.893) 19.063 11.486 ( -0.416 5.977 -2.359) 6.439 11.931 ( -2.712 6.809 -1.486) 7.479 12.962 ( 8.701 4.579 9.032) 13.351 14.421 ( 18.132 13.158 15.301) 27.130 15.729 ( 16.175 0.148 3.226) 16.494 16.031 ( 6.514 -10.944 0.576) 12.749 17.163 ( 31.781 10.792 4.664) 33.886 18.914 ( -9.011 1.999 0.745) 9.260 ======================= Grid point 269 (54/119) ======================= q-point: (-0.20 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( -13.018 -10.482 11.558) 20.321 1.356 ( -15.054 -4.025 0.906) 15.609 1.675 ( -8.674 1.718 -4.996) 10.156 1.964 ( -11.385 -1.911 -10.267) 15.449 2.096 ( -3.774 0.437 0.132) 3.802 2.383 ( -16.746 2.029 9.615) 19.416 2.819 ( -20.518 -6.605 -1.050) 21.580 3.012 ( -19.223 -4.097 0.791) 19.671 4.426 ( 7.734 -0.221 -4.169) 8.789 6.478 ( 24.955 -3.274 11.273) 27.578 6.944 ( 8.657 1.468 -10.642) 13.797 7.236 ( 3.661 11.776 9.625) 15.644 7.433 ( 20.964 7.380 6.792) 23.240 8.410 ( 22.763 -2.120 -20.495) 30.703 9.335 ( 7.821 -3.147 15.082) 17.279 9.456 ( 1.009 -10.386 -17.832) 20.661 9.995 ( 5.587 9.279 -28.216) 30.223 10.288 ( 10.738 20.463 -4.714) 23.585 10.795 ( -3.047 -11.253 -2.357) 11.894 11.573 ( 6.277 3.355 -1.323) 7.239 11.965 ( 1.118 2.316 -0.279) 2.587 13.134 ( 6.017 2.444 6.069) 8.889 14.821 ( 19.337 2.351 18.101) 26.592 15.867 ( 5.002 -6.501 -0.400) 8.212 16.114 ( 5.801 1.092 -2.063) 6.253 17.817 ( 32.902 8.358 18.378) 38.602 18.828 ( -2.290 1.400 0.802) 2.801 ======================= Grid point 274 (55/119) ======================= q-point: ( 0.13 0.13 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( 4.356 14.959 7.761) 17.406 1.520 ( 3.927 7.094 -0.542) 8.127 1.927 ( 7.474 18.013 -0.904) 19.523 2.130 ( 4.685 9.518 -10.619) 15.010 2.184 ( 2.785 5.442 -1.306) 6.251 2.695 ( 12.119 6.526 11.388) 17.864 3.085 ( 5.222 14.219 -8.013) 17.136 3.370 ( 12.405 19.632 4.078) 23.578 4.330 ( -1.662 -0.051 -2.974) 3.407 6.047 ( -10.761 -22.763 12.556) 28.136 6.834 ( -7.703 0.747 -10.452) 13.005 6.842 ( -20.660 -18.284 -0.762) 27.600 7.479 ( 12.515 -8.776 10.358) 18.464 8.132 ( 1.274 -12.806 -11.410) 17.199 8.843 ( -41.988 -2.517 14.617) 44.531 9.186 ( -3.254 -24.380 4.639) 25.030 10.140 ( 7.771 -7.284 -22.922) 25.276 10.358 ( 16.285 -14.591 -23.772) 32.299 10.623 ( -13.950 1.834 -2.331) 14.262 11.597 ( 7.020 1.961 -5.324) 9.026 12.004 ( 1.572 3.122 -1.482) 3.797 13.022 ( -3.545 -8.099 10.550) 13.764 14.492 ( -15.277 -8.115 16.084) 23.621 15.749 ( -0.178 -8.125 0.123) 8.128 15.841 ( -16.123 -15.806 0.978) 22.599 17.301 ( -13.917 -29.533 6.806) 33.350 18.948 ( 5.425 8.251 0.839) 9.910 ======================= Grid point 275 (56/119) ======================= q-point: ( 0.20 0.13 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( 7.719 12.379 4.919) 15.396 1.694 ( 7.699 9.048 0.879) 11.913 2.240 ( 5.725 18.606 -3.441) 19.768 2.277 ( 2.708 6.316 -0.258) 6.876 2.347 ( 5.566 15.302 -3.321) 16.618 2.928 ( 9.766 3.526 9.193) 13.868 3.273 ( 2.153 10.844 -13.878) 17.744 3.802 ( 16.872 14.537 5.015) 22.829 4.381 ( 3.987 4.768 -1.765) 6.461 5.627 ( -10.653 -24.727 8.336) 28.186 6.246 ( -23.142 -16.003 -8.724) 29.457 6.743 ( -10.315 3.979 -6.768) 12.963 7.577 ( -3.771 5.081 17.325) 18.445 7.992 ( -34.372 -1.457 10.393) 35.939 8.206 ( 12.320 -19.686 -9.260) 25.002 8.876 ( -3.246 -23.068 9.731) 25.246 9.965 ( -12.497 -16.691 -4.329) 21.296 10.372 ( -2.168 -1.300 -23.215) 23.352 10.633 ( 14.477 -7.624 -9.168) 18.755 11.830 ( 12.952 4.401 -13.706) 19.364 12.055 ( 0.382 4.797 -3.133) 5.742 12.870 ( -5.462 -4.513 16.053) 17.547 14.140 ( -20.656 0.529 12.957) 24.390 15.289 ( -25.203 -18.716 3.246) 31.560 15.703 ( 8.477 -16.906 0.077) 18.913 16.758 ( -15.824 -27.098 0.341) 31.382 19.153 ( 5.162 13.004 0.561) 14.002 ======================= Grid point 276 (57/119) ======================= q-point: ( 0.27 0.13 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( 7.409 8.902 2.255) 11.800 1.948 ( 7.360 11.984 1.516) 14.145 2.382 ( 2.539 6.009 -0.352) 6.533 2.482 ( 8.167 8.416 -0.019) 11.728 2.665 ( 5.376 26.274 0.841) 26.832 3.105 ( 3.094 8.459 4.788) 10.201 3.417 ( 4.637 10.284 -14.446) 18.329 4.204 ( 15.459 7.158 3.858) 17.467 4.515 ( 5.729 3.031 -1.569) 6.668 5.185 ( -12.606 -22.973 4.885) 26.656 5.765 ( -14.230 -14.229 -10.215) 22.568 6.539 ( -18.585 6.627 -7.167) 20.992 6.913 ( -51.666 -6.159 17.705) 54.962 8.002 ( 11.421 14.331 7.685) 19.871 8.277 ( 16.181 -27.647 -6.370) 32.661 8.719 ( 5.131 -6.402 8.586) 11.875 9.537 ( -14.743 -15.128 -0.724) 21.136 10.326 ( -4.589 1.944 -13.444) 14.338 10.796 ( 13.795 -10.339 -7.939) 18.980 11.864 ( -4.679 -10.177 -3.167) 11.640 12.257 ( 10.529 8.476 -14.083) 19.520 12.810 ( -1.053 7.155 13.802) 15.582 13.804 ( -21.095 6.241 10.341) 24.308 14.663 ( -23.698 -18.585 2.289) 30.203 15.696 ( 12.242 -20.790 -0.137) 24.127 16.224 ( -15.502 -24.682 -0.692) 29.155 19.364 ( 2.415 15.231 0.289) 15.424 ======================= Grid point 277 (58/119) ======================= q-point: ( 0.33 0.13 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.024 ( 6.053 5.872 0.776) 8.469 2.141 ( 1.876 10.489 0.301) 10.659 2.468 ( 0.682 4.800 -0.389) 4.863 2.672 ( 4.231 3.048 2.448) 5.760 2.997 ( 1.644 25.217 -0.095) 25.271 3.259 ( 4.451 16.137 0.049) 16.739 3.688 ( 13.495 11.143 -4.575) 18.089 4.417 ( 4.621 -1.634 1.736) 5.199 4.609 ( 2.942 -1.294 -2.698) 4.196 4.751 ( -13.246 -16.408 4.028) 21.469 5.499 ( -1.634 -10.913 -9.530) 14.581 5.963 ( -44.020 -12.721 16.588) 48.731 6.300 ( -17.852 11.203 -10.705) 23.639 8.183 ( 9.731 -33.726 1.155) 35.121 8.388 ( 10.647 21.415 -1.869) 23.988 8.880 ( 10.969 2.400 9.494) 14.704 9.268 ( -1.183 -5.623 -0.379) 5.758 10.232 ( -10.423 4.135 -4.503) 12.083 10.858 ( 4.308 -11.485 -10.481) 16.134 11.628 ( -4.219 -15.634 5.034) 16.958 12.391 ( -1.922 3.655 -4.081) 5.806 12.948 ( -1.951 15.556 0.432) 15.684 13.602 ( -9.920 11.210 11.468) 18.857 14.170 ( -10.973 -14.698 -7.527) 19.827 15.684 ( 6.145 -24.602 1.341) 25.394 15.764 ( -5.233 -20.061 1.237) 20.770 19.528 ( -1.499 15.542 0.110) 15.615 ======================= Grid point 278 (59/119) ======================= q-point: ( 0.40 0.13 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( 3.810 3.813 -0.317) 5.400 2.227 ( -2.380 7.550 0.448) 7.928 2.493 ( -1.462 2.162 -2.450) 3.579 2.682 ( -4.107 2.768 1.411) 5.150 3.202 ( -5.626 21.179 -0.819) 21.929 3.580 ( 10.598 14.880 1.253) 18.311 3.993 ( 5.980 4.443 2.281) 7.792 4.381 ( -1.490 -4.848 -0.480) 5.095 4.409 ( -7.627 -2.535 -0.983) 8.098 4.643 ( 2.622 -4.781 1.484) 5.651 5.180 ( -26.581 -9.544 11.028) 30.319 5.484 ( 4.212 -6.278 -2.936) 8.110 6.234 ( -0.929 10.610 -15.927) 19.160 7.952 ( -0.310 -25.433 8.854) 26.932 8.785 ( 9.144 17.846 -3.047) 20.283 9.035 ( 14.877 -13.365 2.720) 20.183 9.396 ( 6.956 14.526 2.069) 16.238 10.008 ( -21.456 4.065 0.337) 21.840 10.726 ( -3.498 -10.038 -17.517) 20.490 11.484 ( 4.815 -14.824 13.671) 20.733 12.330 ( -6.945 2.690 -2.912) 7.997 12.950 ( -12.203 14.432 1.890) 18.994 13.549 ( -12.220 7.645 12.460) 19.054 14.179 ( 21.199 0.664 -21.772) 30.395 15.344 ( -7.107 -20.314 9.711) 23.610 15.725 ( 13.146 -22.418 -0.466) 25.992 19.616 ( -5.744 14.400 0.015) 15.503 ======================= Grid point 279 (60/119) ======================= q-point: (-0.53 0.13 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( -3.411 -1.354 0.218) 3.676 2.223 ( -4.468 6.414 0.650) 7.844 2.499 ( 0.207 2.056 -4.302) 4.772 2.616 ( -7.215 2.943 1.810) 8.000 3.198 ( -15.691 15.166 -0.790) 21.837 3.628 ( -13.783 -4.666 2.501) 14.765 4.050 ( -0.046 5.598 3.763) 6.745 4.316 ( 4.848 3.987 -2.368) 6.709 4.423 ( -2.729 -7.972 0.204) 8.428 4.692 ( 7.637 0.859 1.201) 7.779 4.983 ( 5.497 11.583 3.306) 13.241 5.529 ( 8.050 -3.632 0.499) 8.845 6.484 ( 17.364 8.316 -11.705) 22.531 7.715 ( -3.978 -13.233 5.984) 15.058 8.933 ( -2.261 3.454 0.947) 4.236 9.149 ( 10.344 -14.947 4.300) 18.679 9.452 ( -23.353 -2.117 4.781) 23.931 9.873 ( 9.416 19.772 -2.729) 22.069 10.672 ( 5.475 -0.343 -21.718) 22.400 11.435 ( 4.742 -15.023 15.964) 22.428 12.242 ( -6.813 3.876 -5.655) 9.665 12.892 ( -8.562 11.081 0.557) 14.014 13.431 ( -9.362 10.938 4.339) 15.037 14.709 ( 30.552 8.473 -18.587) 36.752 15.090 ( -0.099 -16.860 17.608) 24.378 15.725 ( 12.923 -22.951 -0.430) 26.343 19.614 ( -9.718 12.138 -0.009) 15.550 ======================= Grid point 280 (61/119) ======================= q-point: (-0.47 0.13 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( -7.807 -3.114 1.849) 8.606 2.146 ( -10.921 3.061 0.579) 11.356 2.491 ( -6.832 -0.490 -0.480) 6.866 2.527 ( -0.618 2.085 -1.767) 2.802 2.988 ( -22.185 10.438 -0.413) 24.521 3.274 ( -20.357 -1.168 1.555) 20.449 4.031 ( -4.202 -0.968 7.564) 8.706 4.203 ( -9.089 -11.144 -8.422) 16.665 4.571 ( 13.031 4.426 0.111) 13.763 4.774 ( 3.721 -1.518 1.480) 4.282 5.391 ( 18.915 14.792 -8.315) 25.411 5.847 ( 22.935 18.614 6.075) 30.156 6.894 ( 20.279 0.534 8.139) 21.858 7.585 ( 0.245 -2.157 -11.007) 11.219 8.769 ( -27.657 1.954 19.707) 34.016 8.981 ( -4.148 5.765 -8.080) 10.758 9.242 ( 12.716 -26.354 3.860) 29.515 10.204 ( 9.952 4.163 -3.277) 11.275 10.927 ( 12.030 13.204 -26.311) 31.801 11.312 ( 1.069 -15.796 14.221) 21.281 12.167 ( -7.035 4.743 -7.183) 11.116 12.862 ( -6.014 6.588 0.299) 8.926 13.514 ( 2.222 20.331 3.742) 20.791 14.978 ( 8.397 -14.588 15.587) 22.940 15.380 ( 32.257 10.626 -8.817) 35.089 15.714 ( 12.285 -22.668 -0.396) 25.786 19.524 ( -12.887 9.110 0.036) 15.782 ======================= Grid point 281 (62/119) ======================= q-point: (-0.40 0.13 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( -10.659 -3.668 3.660) 11.851 1.914 ( -15.509 -0.768 1.147) 15.571 2.377 ( -6.633 1.161 -0.513) 6.753 2.517 ( -2.598 -1.622 -4.821) 5.711 2.681 ( -22.648 7.458 1.153) 23.873 2.936 ( -18.920 3.825 3.254) 19.576 3.786 ( -14.801 -12.424 -10.793) 22.134 3.986 ( -10.456 -0.882 5.497) 11.846 4.569 ( -6.123 -5.495 -0.137) 8.228 5.076 ( 24.045 4.748 1.062) 24.533 5.904 ( 28.493 5.389 -5.925) 29.597 6.504 ( 14.695 31.959 -3.049) 35.307 7.080 ( 5.459 -0.399 16.684) 17.559 7.780 ( 20.200 1.827 -6.039) 21.162 8.346 ( -16.105 -0.623 15.936) 22.665 9.093 ( 10.615 -16.486 10.164) 22.085 9.245 ( 11.677 2.955 -11.093) 16.375 10.339 ( 5.713 -1.848 -14.751) 15.926 10.922 ( -5.845 -16.439 -14.912) 22.952 11.458 ( 9.518 14.172 -2.589) 17.267 12.092 ( -6.445 4.206 -6.080) 9.808 12.822 ( -3.165 3.558 7.295) 8.711 13.876 ( 12.291 21.540 6.470) 25.630 15.074 ( 17.425 -9.551 14.449) 24.569 15.702 ( 11.642 -20.883 -0.141) 23.909 16.047 ( 32.630 9.500 -6.516) 34.604 19.357 ( -14.644 5.750 0.167) 15.734 ======================= Grid point 282 (63/119) ======================= q-point: (-0.33 0.13 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( -13.201 -3.357 5.958) 14.867 1.671 ( -10.937 -0.776 0.599) 10.981 2.271 ( -8.110 1.597 -1.017) 8.328 2.322 ( -21.747 3.516 1.730) 22.097 2.371 ( -11.702 -5.826 -12.023) 17.760 2.772 ( -7.954 7.773 10.377) 15.210 3.402 ( -15.426 -9.121 -12.850) 22.052 3.734 ( -18.012 -0.555 6.305) 19.091 4.405 ( -6.232 -3.264 -1.266) 7.148 5.567 ( 27.068 2.841 5.573) 27.782 6.430 ( 30.245 -4.715 -3.058) 30.763 6.796 ( -0.662 10.165 -9.188) 13.718 7.277 ( 3.269 19.044 8.256) 21.012 7.993 ( -0.124 3.998 14.938) 15.464 8.493 ( 34.133 -3.174 -2.517) 34.372 8.993 ( 11.189 -29.712 19.854) 37.445 9.696 ( 17.427 24.530 -15.470) 33.834 10.356 ( -4.697 1.925 -30.641) 31.059 10.691 ( 2.052 -17.781 -6.503) 19.044 11.630 ( -4.710 10.816 -8.381) 14.471 12.046 ( -3.479 3.276 -2.894) 5.587 12.868 ( 5.386 2.475 12.517) 13.849 14.262 ( 13.208 8.261 12.286) 19.840 15.393 ( 23.776 -0.097 6.732) 24.711 15.711 ( 11.218 -15.937 0.340) 19.492 16.692 ( 32.402 6.686 -1.406) 33.114 19.146 ( -14.071 2.645 0.433) 14.324 ======================= Grid point 290 (64/119) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( 4.840 10.410 3.417) 11.978 1.925 ( 9.860 14.060 3.546) 17.535 2.384 ( 2.287 4.361 -0.602) 4.961 2.483 ( 2.518 7.294 -3.976) 8.680 2.770 ( 12.683 22.850 0.931) 26.151 3.045 ( 12.298 9.456 3.968) 16.013 3.545 ( -2.811 16.055 -14.757) 21.987 4.037 ( 11.780 8.442 5.944) 15.664 4.493 ( 1.631 5.943 -1.423) 6.325 5.151 ( -9.595 -22.096 4.376) 24.483 5.881 ( -17.506 -19.991 -8.024) 27.758 6.797 ( -7.908 -3.026 0.436) 8.479 7.445 ( 25.018 -26.753 -5.876) 37.096 7.654 ( -35.200 -16.632 5.739) 39.352 8.220 ( -1.098 17.245 18.239) 25.124 8.667 ( -6.668 2.796 12.738) 14.647 9.514 ( -3.735 -25.154 -9.331) 27.087 10.337 ( 0.749 -2.790 -14.990) 15.266 10.662 ( -1.511 8.932 -10.100) 13.568 11.741 ( 5.117 -14.120 -6.950) 16.549 12.164 ( 7.826 6.223 -10.173) 14.264 12.860 ( 1.849 3.605 11.781) 12.458 14.107 ( -6.830 -5.387 8.877) 12.428 14.886 ( -22.102 -18.883 8.965) 30.421 15.430 ( -5.992 -9.828 -0.261) 11.513 16.189 ( -11.899 -29.700 -3.674) 32.205 19.421 ( 7.830 13.202 0.167) 15.350 ======================= Grid point 291 (65/119) ======================= q-point: ( 0.27 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( 4.698 7.315 1.340) 8.796 2.214 ( 4.980 14.239 2.018) 15.220 2.461 ( 3.584 1.570 -0.740) 3.982 2.625 ( 5.529 6.331 3.271) 9.020 3.187 ( 7.323 24.118 0.197) 25.206 3.336 ( 6.652 14.009 0.751) 15.526 3.668 ( 1.895 14.267 -11.553) 18.456 4.274 ( 9.725 -0.206 4.840) 10.865 4.560 ( 1.403 1.443 -2.037) 2.863 4.801 ( -9.589 -14.772 4.301) 18.129 5.463 ( -9.300 -15.370 -10.340) 20.728 6.347 ( -26.581 -27.544 8.299) 39.168 6.963 ( -35.711 11.237 3.059) 37.562 7.545 ( 19.598 -32.609 -5.590) 38.454 8.429 ( 7.222 15.520 -2.532) 17.304 8.799 ( 3.441 9.351 14.794) 17.836 9.223 ( 0.100 -8.832 -0.087) 8.833 10.359 ( 0.583 0.673 -8.538) 8.585 10.720 ( 0.957 2.466 -5.349) 5.968 11.537 ( -4.690 -21.224 2.851) 21.922 12.378 ( 6.927 3.634 -13.053) 15.217 13.029 ( 8.125 13.382 2.325) 15.827 13.919 ( -12.894 3.026 4.122) 13.871 14.329 ( -22.262 -12.060 9.320) 26.980 15.286 ( 5.365 -19.397 -0.135) 20.125 15.706 ( -10.527 -26.879 -1.880) 28.928 19.661 ( 3.824 13.843 0.002) 14.361 ======================= Grid point 292 (66/119) ======================= q-point: ( 0.33 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( 4.027 5.196 -0.073) 6.574 2.352 ( -1.921 8.713 0.811) 8.959 2.524 ( 1.083 1.994 -2.591) 3.444 2.754 ( 1.092 5.329 4.563) 7.100 3.484 ( 1.292 21.746 -0.672) 21.795 3.576 ( 5.116 14.595 0.499) 15.474 3.915 ( 9.230 11.391 -3.441) 15.059 4.345 ( 1.579 -5.077 1.641) 5.564 4.525 ( -8.161 -5.187 -1.459) 9.779 4.571 ( -0.551 -2.521 4.239) 4.962 5.259 ( -0.071 -14.067 -8.465) 16.418 5.566 ( -25.664 -23.506 8.630) 35.856 6.587 ( -23.872 15.467 -0.511) 28.449 7.522 ( 15.217 -30.179 -4.310) 34.072 8.619 ( 7.786 -19.052 0.171) 20.582 8.893 ( 6.082 21.322 -2.785) 22.347 9.471 ( 8.614 22.059 7.811) 24.936 10.316 ( -8.778 3.479 -1.213) 9.520 10.697 ( -3.503 -5.389 -8.754) 10.861 11.276 ( 0.442 -18.078 11.354) 21.352 12.431 ( -2.180 0.801 -9.737) 10.010 13.291 ( -4.573 17.779 1.469) 18.417 13.823 ( 5.288 4.020 -3.071) 7.318 13.937 ( -14.389 -1.269 2.460) 14.652 15.163 ( 3.141 -26.673 3.593) 27.097 15.347 ( 0.830 -21.409 0.342) 21.427 19.820 ( -1.174 12.963 -0.095) 13.016 ======================= Grid point 293 (67/119) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( 0.103 2.258 -0.556) 2.328 2.355 ( -2.968 3.809 1.452) 5.042 2.542 ( -2.065 3.882 -4.515) 6.302 2.768 ( -5.029 5.095 3.865) 8.135 3.619 ( -11.516 19.617 -0.861) 22.763 3.737 ( -0.674 1.280 1.112) 1.825 4.123 ( 1.212 7.470 0.257) 7.572 4.298 ( 1.770 0.113 -1.891) 2.592 4.385 ( -3.313 -5.986 0.440) 6.856 4.595 ( 4.091 2.271 5.918) 7.544 4.968 ( -4.193 -10.202 2.146) 11.237 5.334 ( 7.406 -8.382 -3.480) 11.714 6.475 ( -4.773 12.844 -2.329) 13.898 7.506 ( 11.012 -17.160 -2.579) 20.552 8.555 ( 14.322 -27.249 1.296) 30.811 9.185 ( -2.813 17.198 0.967) 17.453 9.765 ( -1.676 16.306 3.228) 16.707 10.121 ( -15.505 8.029 -0.896) 17.483 10.573 ( 1.334 -5.595 -12.734) 13.973 11.203 ( 5.999 -12.339 16.444) 21.416 12.375 ( -4.748 2.269 -10.968) 12.165 13.198 ( -14.711 10.023 4.597) 18.385 13.754 ( -13.508 12.963 1.060) 18.752 14.245 ( 29.964 5.046 -13.438) 33.225 14.900 ( -0.709 -22.831 13.176) 26.370 15.273 ( 11.891 -22.179 -0.954) 25.184 19.875 ( -6.249 10.758 -0.136) 12.442 ======================= Grid point 295 (68/119) ======================= q-point: (-0.53 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.157 ( -5.912 -1.819 0.479) 6.204 2.355 ( -5.049 6.355 1.049) 8.184 2.515 ( -3.442 -0.709 -3.450) 4.925 2.688 ( -8.603 3.799 3.233) 9.945 3.475 ( -20.495 9.454 -0.577) 22.577 3.590 ( -14.914 2.752 0.784) 15.186 4.103 ( -4.579 0.420 3.991) 6.089 4.197 ( -4.444 -10.709 -5.998) 13.054 4.460 ( 6.513 7.364 2.137) 10.061 4.693 ( 3.941 -1.861 3.255) 5.439 5.150 ( 19.403 2.221 -8.141) 21.158 5.549 ( 24.920 7.076 5.063) 26.395 6.652 ( 10.502 9.473 1.373) 14.209 7.544 ( 4.961 -5.774 -4.234) 8.711 8.584 ( 18.711 -24.193 0.873) 30.597 9.108 ( -11.158 0.463 -2.458) 11.435 9.453 ( -32.622 1.446 10.946) 34.440 10.199 ( 0.555 11.827 -3.205) 12.266 10.766 ( 18.511 8.034 -14.508) 24.853 11.150 ( 1.524 -12.202 15.346) 19.665 12.326 ( -5.297 4.781 -12.404) 14.310 13.081 ( -10.417 9.052 -0.770) 13.822 13.726 ( -5.129 15.609 0.173) 16.431 14.653 ( 9.933 -18.842 10.647) 23.813 14.924 ( 27.900 4.701 -1.189) 28.318 15.280 ( 13.063 -18.823 -1.814) 22.984 19.819 ( -10.718 7.534 -0.119) 13.101 ======================= Grid point 296 (69/119) ======================= q-point: (-0.47 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( -8.592 -1.992 1.701) 8.983 2.214 ( -16.566 2.733 2.556) 16.983 2.448 ( -1.848 -1.841 -1.055) 2.813 2.588 ( -6.507 2.632 0.981) 7.088 3.170 ( -23.403 6.470 -0.637) 24.289 3.311 ( -19.677 2.936 0.421) 19.899 3.876 ( -10.807 -12.845 -9.841) 19.459 4.133 ( -4.373 4.118 5.292) 8.005 4.588 ( -0.387 -2.181 -0.747) 2.337 4.783 ( 13.595 2.095 3.350) 14.158 5.488 ( 21.384 -0.766 -9.648) 23.472 6.310 ( 39.020 17.216 7.376) 43.283 6.961 ( 11.735 12.456 3.857) 17.543 7.537 ( 5.123 -9.725 -7.577) 13.351 8.578 ( -3.545 -17.172 8.751) 19.597 8.901 ( -18.487 -6.700 13.066) 23.609 9.100 ( 8.442 6.548 -5.384) 11.964 10.278 ( 0.617 4.746 -9.035) 10.224 10.888 ( -5.002 -13.009 -6.804) 15.509 11.336 ( 19.964 12.904 1.372) 23.810 12.269 ( -7.786 5.652 -12.744) 15.968 12.974 ( -10.030 4.533 2.210) 11.226 13.904 ( 6.399 14.432 2.402) 15.968 14.650 ( 14.992 -17.349 16.392) 28.186 15.291 ( 14.599 -14.535 0.077) 20.601 15.581 ( 30.320 7.867 -6.433) 31.978 19.659 ( -13.975 3.766 -0.031) 14.474 ======================= Grid point 307 (70/119) ======================= q-point: ( 0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( 2.837 6.349 0.365) 6.964 2.444 ( -1.220 -0.025 -0.685) 1.399 2.490 ( 6.984 9.224 -0.613) 11.586 2.748 ( 5.787 6.159 4.348) 9.504 3.540 ( 7.089 11.664 0.355) 13.654 3.670 ( 9.585 17.507 0.049) 19.959 3.957 ( -0.046 14.201 -7.554) 16.085 4.221 ( 5.743 -3.758 4.196) 8.044 4.545 ( -1.577 -4.050 -1.739) 4.681 4.634 ( -4.667 -1.147 4.829) 6.813 5.155 ( -7.292 -16.400 -10.815) 20.955 5.671 ( -18.593 -34.230 8.866) 39.951 6.954 ( 13.910 -18.685 -5.399) 23.911 7.235 ( -27.211 6.980 6.369) 28.805 8.369 ( -5.061 -19.145 -2.370) 19.944 9.028 ( 3.577 19.993 -6.473) 21.317 9.495 ( 16.277 25.630 12.285) 32.753 10.359 ( 4.579 -0.348 -5.234) 6.963 10.784 ( -9.745 -2.965 -5.825) 11.734 11.100 ( -1.195 -16.837 11.899) 20.652 12.417 ( 4.333 0.743 -14.453) 15.107 13.279 ( 17.190 9.837 -4.985) 20.423 13.872 ( -7.139 -3.215 -0.030) 7.830 14.287 ( -16.191 5.140 14.896) 22.593 14.920 ( -8.623 -18.601 0.969) 20.526 15.183 ( -6.211 -23.228 -3.011) 24.231 19.897 ( 5.444 9.356 -0.152) 10.826 ======================= Grid point 308 (71/119) ======================= q-point: ( 0.33 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.236 ( 2.227 5.186 -0.265) 5.651 2.401 ( -2.060 -2.201 0.021) 3.015 2.620 ( -0.029 5.549 -3.708) 6.674 2.866 ( 0.293 5.116 4.404) 6.757 3.704 ( 4.398 3.358 2.119) 5.925 3.931 ( -1.040 17.110 0.066) 17.142 4.152 ( 5.168 12.277 -2.738) 13.599 4.247 ( 2.035 -3.746 1.204) 4.430 4.440 ( -6.398 -4.146 -2.711) 8.092 4.604 ( -1.581 5.438 3.545) 6.681 4.899 ( -1.889 -19.377 -1.275) 19.511 5.163 ( -5.554 -16.538 -1.272) 17.492 6.857 ( -22.525 9.294 6.551) 25.232 7.076 ( 17.653 -11.509 -6.059) 21.927 8.113 ( 3.979 -25.812 1.347) 26.152 9.403 ( 5.661 26.537 -3.224) 27.325 9.907 ( 4.088 17.177 3.613) 18.022 10.360 ( -5.336 1.128 -1.013) 5.547 10.518 ( -5.436 -14.775 -7.525) 17.450 11.020 ( 3.003 -5.413 15.729) 16.903 12.442 ( -1.079 0.586 -15.849) 15.897 13.598 ( -18.914 10.244 5.889) 22.302 13.755 ( 24.289 1.189 -9.730) 26.192 14.176 ( -12.379 15.296 5.374) 20.398 14.650 ( 2.437 -23.304 6.338) 24.274 14.920 ( 2.175 -20.932 -0.704) 21.057 20.025 ( -0.362 7.188 -0.216) 7.200 ======================= Grid point 309 (72/119) ======================= q-point: (-0.60 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.244 ( -5.079 0.167 -0.094) 5.083 2.394 ( 2.602 1.080 -0.139) 2.821 2.623 ( -4.614 2.651 -3.657) 6.457 2.856 ( -5.874 2.977 4.169) 7.794 3.710 ( -4.588 -2.220 2.333) 5.606 3.935 ( -14.374 9.678 -0.161) 17.329 4.180 ( -1.527 1.460 0.691) 2.223 4.228 ( -10.702 -6.525 -2.583) 12.798 4.435 ( 6.637 6.884 -0.694) 9.587 4.651 ( -1.076 2.622 4.300) 5.150 4.807 ( 14.913 -5.234 -4.584) 16.456 5.191 ( 17.726 -4.833 -0.312) 18.375 6.722 ( -4.590 12.955 0.980) 13.779 7.271 ( 13.659 -11.490 0.637) 17.860 8.061 ( 16.524 -15.401 0.230) 22.590 9.434 ( -21.661 6.077 -2.516) 22.638 9.945 ( -17.567 2.573 4.835) 18.401 10.326 ( -0.182 9.079 -1.649) 9.229 10.482 ( 15.408 -2.290 -8.142) 17.577 11.024 ( 2.277 -5.140 15.276) 16.277 12.426 ( -1.978 2.354 -16.413) 16.698 13.410 ( -14.364 13.142 0.355) 19.472 13.929 ( -4.948 -3.934 -3.852) 7.403 14.326 ( 11.207 3.914 5.253) 12.981 14.557 ( 11.838 -8.303 7.867) 16.462 14.889 ( 14.301 -12.436 -2.011) 19.059 20.025 ( -6.065 3.919 -0.219) 7.224 ======================= Grid point 323 (73/119) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.332 ( -1.870 -3.740 -0.150) 4.184 2.332 ( 1.870 3.740 -0.150) 4.184 2.675 ( -0.000 -0.000 -4.482) 4.482 2.924 ( -0.000 -0.000 4.014) 4.014 3.725 ( -0.000 -0.000 4.135) 4.135 4.164 ( -2.485 -4.970 0.530) 5.581 4.164 ( 2.485 4.970 0.530) 5.581 4.361 ( -2.400 -4.799 0.620) 5.402 4.361 ( 2.400 4.799 0.620) 5.402 4.599 ( -0.000 -0.000 -6.301) 6.301 4.851 ( -6.408 -12.815 -1.604) 14.417 4.851 ( 6.408 12.815 -1.604) 14.417 6.973 ( -4.220 -8.440 2.725) 9.822 6.973 ( 4.220 8.440 2.725) 9.822 7.801 ( -0.000 -0.000 -0.269) 0.269 9.892 ( -8.922 -17.845 -0.657) 19.962 9.892 ( 8.922 17.845 -0.657) 19.962 10.355 ( -0.789 -1.577 -2.235) 2.847 10.355 ( 0.789 1.577 -2.235) 2.847 10.982 ( -0.000 -0.000 13.484) 13.484 12.451 ( -0.000 -0.000 -19.144) 19.144 13.758 ( -4.718 -9.435 0.578) 10.565 13.758 ( 4.718 9.435 0.578) 10.565 14.328 ( -0.000 -0.000 7.857) 7.857 14.536 ( -7.151 -14.302 0.393) 15.995 14.536 ( 7.151 14.302 0.393) 15.995 20.098 ( -0.000 -0.000 -0.256) 0.256 ======================= Grid point 482 (74/119) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 119 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( 0.000 0.000 16.529) 16.529 0.953 ( -0.000 -0.000 16.529) 16.529 1.439 ( 0.000 0.000 -10.918) 10.918 1.439 ( 0.000 -0.000 -10.918) 10.918 1.681 ( 0.000 -0.000 37.873) 37.873 2.033 ( 0.000 -0.000 0.217) 0.217 2.033 ( 0.000 -0.000 0.217) 0.217 2.415 ( -0.000 0.000 -32.012) 32.012 4.911 ( 0.000 0.000 2.557) 2.557 6.962 ( 0.000 -0.000 -0.271) 0.271 6.962 ( 0.000 0.000 -0.271) 0.271 7.334 ( 0.000 -0.000 -2.144) 2.144 7.334 ( 0.000 0.000 -2.144) 2.144 8.997 ( 0.000 0.000 0.002) 0.002 9.526 ( 0.000 0.000 8.511) 8.511 9.526 ( 0.000 -0.000 8.511) 8.511 10.431 ( 0.000 0.000 0.033) 0.033 10.544 ( 0.000 -0.000 -7.983) 7.983 10.544 ( -0.000 0.000 -7.983) 7.983 12.131 ( -0.000 -0.000 1.685) 1.685 12.131 ( 0.000 -0.000 1.685) 1.685 13.148 ( 0.000 0.000 0.335) 0.335 15.651 ( 0.000 0.000 -0.012) 0.012 15.904 ( 0.000 0.000 -0.014) 0.014 15.904 ( 0.000 -0.000 -0.014) 0.014 18.948 ( 0.000 0.000 -0.682) 0.682 20.254 ( 0.000 0.000 0.465) 0.465 ======================= Grid point 483 (75/119) ======================= q-point: ( 0.07 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( 0.060 0.035 17.587) 17.587 1.057 ( 4.230 2.442 11.978) 12.936 1.527 ( 4.891 2.824 -9.983) 11.470 1.563 ( 6.410 3.701 -6.598) 9.915 1.823 ( 15.856 9.154 19.066) 26.433 2.043 ( 0.688 0.397 -0.033) 0.795 2.169 ( 11.899 6.870 2.734) 14.009 2.506 ( 8.222 4.747 -18.015) 20.364 4.715 ( -13.022 -7.518 1.166) 15.082 6.835 ( -7.438 -4.294 2.532) 8.954 7.083 ( -5.922 -3.419 3.393) 7.634 7.449 ( 20.885 12.058 -11.327) 26.644 7.482 ( 7.479 4.318 -8.232) 11.931 8.600 ( -24.387 -14.080 -2.340) 28.257 9.292 ( -14.176 -8.185 14.060) 21.578 9.797 ( 11.726 6.770 0.152) 13.541 10.072 ( -23.077 -13.323 -2.683) 26.781 10.621 ( 1.432 0.827 -11.776) 11.891 10.636 ( 5.620 3.245 1.976) 6.783 12.034 ( -8.698 -5.022 -0.799) 10.076 12.057 ( -5.166 -2.983 3.208) 6.773 13.186 ( 2.441 1.409 0.263) 2.831 15.540 ( -11.422 -6.595 4.252) 13.858 15.936 ( 2.559 1.478 -0.033) 2.955 15.951 ( 4.524 2.612 -2.001) 5.595 18.905 ( -2.998 -1.731 -0.183) 3.466 19.759 ( -37.059 -21.396 9.645) 43.866 ======================= Grid point 484 (76/119) ======================= q-point: ( 0.13 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( 4.767 2.752 13.072) 14.184 1.210 ( 9.822 5.671 11.393) 16.075 1.618 ( 0.977 0.564 -7.340) 7.427 1.662 ( 6.802 3.927 -6.704) 10.327 2.067 ( 1.478 0.853 -0.104) 1.710 2.348 ( 24.454 14.118 4.907) 28.660 2.538 ( 18.191 10.503 1.333) 21.048 2.770 ( 14.350 8.285 -3.923) 17.028 4.432 ( -10.288 -5.940 -1.547) 11.980 6.612 ( -12.206 -7.047 1.732) 14.200 6.992 ( -0.111 -0.064 19.087) 19.087 7.526 ( -21.031 -12.142 -6.707) 25.193 7.670 ( 8.686 5.015 -11.139) 14.990 8.310 ( 1.459 0.842 -26.402) 26.455 8.911 ( -18.265 -10.545 16.439) 26.740 9.507 ( -21.785 -12.577 -2.192) 25.250 9.962 ( 1.423 0.822 -4.076) 4.395 10.590 ( -4.237 -2.446 -10.766) 11.826 10.770 ( 6.342 3.661 2.069) 7.610 11.795 ( -10.068 -5.813 -3.106) 12.033 11.914 ( -6.637 -3.832 3.408) 8.388 13.218 ( -0.348 -0.201 0.517) 0.655 15.171 ( -19.143 -11.052 11.324) 24.837 16.012 ( -1.334 -0.770 -2.601) 3.023 16.013 ( 3.888 2.245 -0.016) 4.489 18.801 ( -39.280 -22.678 12.509) 47.050 18.851 ( -4.483 -2.588 -0.631) 5.215 ======================= Grid point 485 (77/119) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( 9.230 5.329 6.827) 12.657 1.464 ( 9.132 5.272 10.694) 15.019 1.706 ( 9.570 5.525 -9.273) 14.425 1.836 ( 8.142 4.701 -2.950) 9.854 2.112 ( 2.476 1.430 0.019) 2.859 2.784 ( 12.465 7.197 -0.125) 14.394 2.917 ( 12.790 7.384 -1.012) 14.803 3.212 ( 23.777 13.728 1.237) 27.483 4.280 ( -2.103 -1.214 -0.534) 2.486 6.266 ( -17.504 -10.106 -1.462) 20.265 6.849 ( -24.085 -13.905 3.045) 27.977 7.084 ( -4.405 -2.543 22.768) 23.329 7.868 ( 7.268 4.196 -7.706) 11.394 8.120 ( -17.039 -9.837 -17.031) 26.022 8.467 ( -19.403 -11.202 12.527) 25.669 9.271 ( -0.877 -0.506 -9.735) 9.788 9.846 ( -10.036 -5.794 -18.596) 21.911 10.433 ( -9.033 -5.215 -5.919) 11.992 10.949 ( 9.404 5.429 0.524) 10.871 11.642 ( -2.615 -1.510 -3.550) 4.660 11.781 ( -4.220 -2.436 1.957) 5.251 13.154 ( -5.140 -2.967 0.335) 5.944 14.699 ( -21.296 -12.295 15.196) 28.907 15.848 ( -12.850 -7.419 1.174) 14.885 16.104 ( 3.863 2.231 0.009) 4.461 17.873 ( -37.802 -21.825 5.316) 43.972 18.859 ( 2.509 1.448 -0.015) 2.897 ======================= Grid point 486 (78/119) ======================= q-point: ( 0.27 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( 13.019 7.516 1.946) 15.158 1.617 ( 6.947 4.011 2.346) 8.357 2.033 ( 8.881 5.127 -0.008) 10.255 2.066 ( 18.645 10.765 -1.054) 21.555 2.181 ( 3.398 1.962 0.085) 3.924 2.979 ( 5.172 2.986 -4.905) 7.729 3.102 ( 4.502 2.599 2.971) 5.987 3.767 ( 22.618 13.058 -0.629) 26.124 4.348 ( 7.313 4.222 0.815) 8.484 5.833 ( -19.128 -11.044 -6.924) 23.147 6.337 ( -17.813 -10.284 6.229) 21.491 6.655 ( -33.977 -19.617 6.424) 39.756 7.723 ( -24.203 -13.974 29.672) 40.761 7.996 ( 7.834 4.523 17.836) 19.998 8.276 ( 6.826 3.941 -26.201) 27.361 9.133 ( -13.577 -7.839 -9.331) 18.244 9.686 ( -1.045 -0.603 -32.787) 32.809 10.183 ( -12.495 -7.214 2.805) 14.698 11.167 ( 7.247 4.184 -1.924) 8.587 11.672 ( 5.455 3.150 -6.931) 9.366 11.742 ( 0.998 0.576 -0.320) 1.196 12.995 ( -8.192 -4.730 0.219) 9.462 14.200 ( -21.686 -12.520 13.656) 28.522 15.447 ( -20.863 -12.045 9.492) 25.893 16.185 ( 3.058 1.766 0.025) 3.532 17.071 ( -31.597 -18.242 -1.817) 36.530 18.953 ( 5.268 3.041 -0.013) 6.082 ======================= Grid point 487 (79/119) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( 13.159 7.597 -0.356) 15.199 1.830 ( 10.692 6.173 0.982) 12.385 2.252 ( 9.935 5.736 0.965) 11.513 2.268 ( 4.594 2.653 0.053) 5.306 2.473 ( 14.602 8.430 -0.774) 16.879 3.004 ( -1.243 -0.718 -1.164) 1.848 3.290 ( 14.215 8.207 6.442) 17.632 4.204 ( 14.347 8.283 -4.528) 17.174 4.552 ( 8.727 5.038 2.179) 10.310 5.433 ( -14.348 -8.284 -13.749) 21.530 5.737 ( -38.860 -22.436 4.228) 45.070 6.054 ( -10.734 -6.197 2.722) 12.690 7.016 ( -34.429 -19.878 30.953) 50.385 8.204 ( 5.188 2.995 21.600) 22.415 8.517 ( 11.862 6.848 -29.010) 32.081 8.884 ( -1.667 -0.962 -5.327) 5.664 9.712 ( 1.500 0.866 -25.802) 25.860 9.863 ( -14.978 -8.648 11.946) 21.020 11.171 ( -7.845 -4.529 -6.029) 10.881 11.819 ( 5.131 2.962 -1.293) 6.064 11.901 ( 12.885 7.439 -11.332) 18.703 12.808 ( -7.255 -4.189 1.150) 8.456 13.724 ( -18.306 -10.569 5.918) 21.951 14.932 ( -23.016 -13.288 19.198) 32.785 16.244 ( 2.040 1.178 0.024) 2.356 16.424 ( -24.210 -13.978 -6.006) 28.593 19.083 ( 5.542 3.200 0.007) 6.399 ======================= Grid point 488 (80/119) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( 7.188 4.150 -0.294) 8.306 2.052 ( 7.841 4.527 1.554) 9.187 2.356 ( 3.568 2.060 0.271) 4.128 2.529 ( 12.625 7.289 -0.091) 14.579 2.605 ( -3.273 -1.890 -5.908) 7.014 3.107 ( 11.844 6.838 6.248) 15.036 3.756 ( 24.136 13.935 10.944) 29.942 4.399 ( 2.321 1.340 -7.860) 8.304 4.652 ( -5.056 -2.919 2.367) 6.300 4.946 ( -24.253 -14.003 -2.788) 28.144 5.225 ( -2.624 -1.515 -19.765) 19.996 5.851 ( -6.904 -3.986 3.743) 8.807 6.201 ( -34.686 -20.026 27.777) 48.741 8.301 ( 8.350 4.821 6.506) 11.631 8.775 ( 9.229 5.328 -23.310) 25.630 9.050 ( 11.294 6.520 10.596) 16.803 9.520 ( -13.449 -7.765 14.991) 21.585 9.722 ( -1.282 -0.740 -14.342) 14.418 10.814 ( -21.940 -12.667 -14.530) 29.205 11.947 ( 5.270 3.043 -0.591) 6.114 12.161 ( 8.011 4.625 -6.176) 11.123 12.669 ( -5.649 -3.261 2.059) 6.840 13.465 ( -1.209 -0.698 -5.368) 5.546 14.407 ( -22.076 -12.746 21.846) 33.572 15.963 ( -15.693 -9.060 -4.808) 18.747 16.280 ( 1.109 0.640 0.004) 1.281 19.195 ( 3.960 2.286 0.035) 4.573 ======================= Grid point 489 (81/119) ======================= q-point: ( 0.47 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( 1.946 1.123 -0.128) 2.250 2.186 ( 3.768 2.176 1.083) 4.484 2.419 ( 1.644 0.949 0.015) 1.898 2.484 ( -4.687 -2.706 -5.069) 7.416 2.763 ( 5.938 3.428 -0.289) 6.863 3.479 ( 19.644 11.342 6.960) 23.727 4.114 ( -15.364 -8.870 0.847) 17.761 4.273 ( 0.149 0.086 -1.774) 1.782 4.440 ( 6.899 3.983 -1.001) 8.029 4.733 ( -5.810 -3.354 -1.736) 6.930 5.252 ( -6.585 -3.802 1.565) 7.763 5.585 ( -5.182 -2.992 -3.035) 6.709 5.755 ( -1.635 -0.944 2.601) 3.214 8.637 ( 17.299 9.988 4.825) 20.550 8.814 ( -8.260 -4.769 9.969) 13.797 9.291 ( 9.015 5.205 5.065) 11.576 9.379 ( 3.737 2.158 -9.059) 10.034 9.592 ( -10.628 -6.136 6.836) 14.047 10.296 ( -18.180 -10.496 -26.017) 33.430 12.034 ( 1.904 1.099 0.594) 2.277 12.266 ( 1.523 0.879 3.831) 4.216 12.532 ( -4.650 -2.684 1.138) 5.488 13.625 ( 4.794 2.768 2.036) 5.898 13.992 ( -5.748 -3.319 -0.327) 6.646 15.698 ( -7.348 -4.242 1.082) 8.553 16.297 ( 0.346 0.200 -0.019) 0.400 19.258 ( 1.395 0.805 0.076) 1.612 ======================= Grid point 490 (82/119) ======================= q-point: (-0.47 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.037 ( -1.762 -1.018 -0.293) 2.056 2.211 ( -2.190 -1.264 -1.069) 2.745 2.423 ( -1.344 -0.776 -0.363) 1.594 2.447 ( 1.873 1.081 -1.799) 2.813 2.764 ( -5.795 -3.346 -0.396) 6.703 3.615 ( -19.838 -11.453 -3.773) 23.216 4.020 ( 22.669 13.088 4.802) 26.612 4.287 ( 4.829 2.788 0.411) 5.591 4.486 ( -14.127 -8.156 -5.131) 17.100 4.719 ( 8.379 4.838 -0.578) 9.692 4.912 ( -10.324 -5.961 18.088) 21.663 5.757 ( 2.064 1.192 2.516) 3.466 6.020 ( 30.312 17.501 -28.473) 45.120 8.515 ( -14.765 -8.524 27.651) 32.484 8.760 ( -11.680 -6.743 -5.595) 14.601 9.132 ( -12.431 -7.177 12.737) 19.191 9.578 ( 10.740 6.201 -17.388) 21.357 9.834 ( 29.206 16.862 16.156) 37.394 10.050 ( -6.114 -3.530 -29.222) 30.062 12.025 ( -2.677 -1.545 1.387) 3.388 12.204 ( -6.707 -3.872 9.152) 11.988 12.547 ( 5.681 3.280 0.022) 6.560 13.385 ( -12.975 -7.491 13.221) 19.981 14.368 ( 25.581 14.769 -24.167) 38.164 15.620 ( 0.678 0.392 8.631) 8.666 16.297 ( -0.335 -0.193 -0.030) 0.387 19.257 ( -1.489 -0.860 0.161) 1.727 ======================= Grid point 491 (83/119) ======================= q-point: (-0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( -6.714 -3.876 -0.973) 7.814 2.086 ( -8.281 -4.781 -1.348) 9.656 2.361 ( -3.783 -2.184 -0.125) 4.370 2.523 ( 2.715 1.568 1.088) 3.319 2.539 ( -12.058 -6.962 -0.967) 13.957 3.182 ( -16.790 -9.694 0.007) 19.387 4.041 ( -22.228 -12.834 -14.235) 29.350 4.213 ( -1.115 -0.644 9.358) 9.446 4.710 ( 7.142 4.124 -2.925) 8.751 4.899 ( 8.698 5.022 10.177) 14.298 4.932 ( 26.069 15.051 -1.520) 30.141 5.891 ( 10.058 5.807 0.434) 11.622 6.811 ( 36.576 21.117 -28.548) 50.977 8.186 ( -13.302 -7.680 29.847) 33.568 8.413 ( -10.690 -6.172 -4.424) 13.112 8.906 ( -9.720 -5.612 22.013) 24.709 9.819 ( 9.604 5.545 -11.234) 15.785 9.895 ( -8.264 -4.771 -30.351) 31.815 10.555 ( 29.148 16.829 10.455) 35.244 11.924 ( -5.535 -3.196 1.310) 6.525 11.985 ( -11.932 -6.889 9.855) 16.940 12.695 ( 5.118 2.955 -0.284) 5.917 13.296 ( 8.109 4.682 8.058) 12.353 14.947 ( 22.358 12.908 -25.692) 36.423 15.761 ( 12.836 7.411 14.419) 20.678 16.280 ( -1.102 -0.636 -0.027) 1.272 19.191 ( -4.113 -2.375 0.351) 4.763 ======================= Grid point 492 (84/119) ======================= q-point: (-0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( -11.132 -6.427 -3.265) 13.262 1.857 ( -10.521 -6.074 -1.367) 12.225 2.263 ( -11.495 -6.637 0.180) 13.274 2.267 ( -4.119 -2.378 0.047) 4.756 2.450 ( -11.001 -6.351 -1.085) 12.749 2.920 ( -4.612 -2.663 8.063) 9.663 3.542 ( -19.093 -11.023 -15.783) 27.114 4.074 ( -11.033 -6.370 7.356) 14.711 4.600 ( -9.359 -5.403 -1.841) 10.962 5.256 ( 20.797 12.007 2.515) 24.145 5.758 ( 36.668 21.170 1.603) 42.371 6.193 ( 16.189 9.347 -7.690) 20.213 7.638 ( 32.238 18.613 -19.545) 42.044 7.920 ( -7.910 -4.567 19.290) 21.343 8.348 ( 0.539 0.311 13.451) 13.465 8.727 ( -0.679 -0.392 8.451) 8.488 9.658 ( -11.879 -6.858 -28.777) 31.879 10.002 ( 6.019 3.475 -1.031) 7.026 11.074 ( 14.665 8.467 4.006) 17.401 11.691 ( -12.298 -7.100 8.846) 16.731 11.804 ( -4.057 -2.342 -0.096) 4.685 12.803 ( 5.717 3.300 1.511) 6.772 13.709 ( 24.297 14.028 4.929) 28.485 15.356 ( 14.102 8.142 -16.090) 22.892 16.241 ( 27.710 15.998 9.585) 33.401 16.244 ( -2.048 -1.183 -0.009) 2.365 19.074 ( -5.782 -3.338 0.703) 6.714 ======================= Grid point 493 (85/119) ======================= q-point: (-0.27 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( -9.625 -5.557 -6.638) 12.946 1.659 ( -5.786 -3.341 -1.157) 6.781 1.999 ( -11.470 -6.622 3.228) 13.632 2.092 ( -17.749 -10.248 -4.537) 20.991 2.180 ( -3.464 -2.000 0.165) 4.003 2.863 ( -3.215 -1.856 9.066) 9.797 3.193 ( -11.932 -6.889 -8.223) 16.045 3.715 ( -19.545 -11.284 4.021) 22.924 4.387 ( -7.366 -4.253 -2.364) 8.828 5.793 ( 24.354 14.061 -3.386) 28.324 6.345 ( 16.908 9.762 4.611) 20.061 6.825 ( 35.731 20.629 -6.134) 41.712 7.676 ( -7.958 -4.595 26.479) 28.028 8.171 ( -12.890 -7.442 8.226) 17.006 8.400 ( 27.727 16.008 -30.389) 44.142 9.081 ( 26.033 15.030 0.173) 30.061 9.382 ( -11.149 -6.437 -19.246) 23.155 10.103 ( 3.290 1.899 10.049) 10.743 11.181 ( -5.659 -3.267 -2.625) 7.042 11.515 ( -1.239 -0.715 8.323) 8.445 11.767 ( 1.110 0.641 -2.320) 2.650 12.970 ( 8.170 4.717 2.621) 9.791 14.299 ( 25.264 14.586 2.835) 29.310 15.656 ( 12.255 7.075 -7.272) 15.910 16.185 ( -3.083 -1.780 0.025) 3.560 16.972 ( 34.777 20.078 6.548) 40.687 18.939 ( -5.517 -3.185 1.182) 6.479 ======================= Grid point 494 (86/119) ======================= q-point: (-0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( -5.567 -3.214 -9.211) 11.232 1.540 ( -9.000 -5.196 6.014) 12.007 1.732 ( -8.996 -5.194 -13.857) 17.319 1.736 ( -11.055 -6.383 6.121) 14.157 2.109 ( -2.636 -1.522 0.329) 3.062 2.685 ( -13.300 -7.679 9.547) 18.083 2.927 ( -12.397 -7.158 -2.703) 14.568 3.214 ( -22.602 -13.049 1.125) 26.123 4.319 ( 1.896 1.095 -3.779) 4.368 6.326 ( 20.852 12.039 -7.183) 25.127 6.787 ( 22.186 12.809 7.121) 26.590 7.512 ( -6.337 -3.659 20.037) 21.331 7.555 ( 23.912 13.806 4.418) 27.963 7.887 ( -9.939 -5.738 -18.655) 21.903 8.934 ( 18.540 10.704 -25.417) 33.232 9.196 ( -3.083 -1.780 -5.105) 6.224 9.704 ( 24.753 14.291 -3.384) 28.782 10.191 ( 4.884 2.820 15.852) 16.826 10.970 ( -9.843 -5.683 -1.110) 11.420 11.554 ( 3.731 2.154 4.271) 6.066 11.847 ( 5.310 3.066 -3.360) 6.992 13.143 ( 6.045 3.490 1.693) 7.182 14.840 ( 21.402 12.356 1.648) 24.767 15.900 ( 8.002 4.620 -3.221) 9.786 16.104 ( -3.888 -2.245 0.059) 4.490 17.828 ( 39.243 22.657 9.550) 46.310 18.842 ( -2.409 -1.391 1.394) 3.111 ======================= Grid point 495 (87/119) ======================= q-point: (-0.13 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( -4.166 -2.405 -6.297) 7.924 1.226 ( -14.051 -8.112 6.494) 17.476 1.512 ( -7.635 -4.408 4.647) 9.965 1.687 ( 0.759 0.438 -8.917) 8.960 2.060 ( -1.526 -0.881 0.459) 1.821 2.260 ( -22.189 -12.811 9.525) 27.335 2.572 ( -18.264 -10.545 -0.164) 21.090 2.757 ( -15.530 -8.966 -2.452) 18.099 4.455 ( 9.190 5.306 -3.539) 11.186 6.725 ( 13.547 7.821 -9.143) 18.119 7.245 ( 12.498 7.216 7.827) 16.417 7.381 ( -5.032 -2.905 14.829) 15.927 7.695 ( -11.123 -6.422 -36.526) 38.718 7.945 ( 18.122 10.463 9.281) 22.891 9.284 ( 12.482 7.207 -15.533) 21.191 9.320 ( 12.620 7.286 9.393) 17.338 10.112 ( 9.859 5.692 -11.577) 16.237 10.321 ( 5.753 3.322 12.129) 13.829 10.784 ( -5.736 -3.311 0.846) 6.677 11.714 ( 10.560 6.097 3.712) 12.746 11.985 ( 6.041 3.488 -2.536) 7.423 13.224 ( 0.734 0.424 0.265) 0.888 15.284 ( 16.827 9.715 0.793) 19.447 15.990 ( -0.372 -0.215 -0.839) 0.942 16.012 ( -3.894 -2.248 0.067) 4.497 18.754 ( 31.567 18.225 13.108) 38.736 18.865 ( 13.378 7.724 1.863) 15.559 ======================= Grid point 496 (88/119) ======================= q-point: (-0.07 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( -6.724 -3.882 14.426) 16.383 1.080 ( -6.125 -3.536 7.605) 10.385 1.414 ( -0.970 -0.560 -6.014) 6.117 1.662 ( -7.238 -4.179 -8.381) 11.836 1.777 ( -13.669 -7.892 20.104) 25.559 2.037 ( -0.522 -0.301 0.426) 0.738 2.186 ( -12.974 -7.491 2.292) 15.156 2.493 ( -7.218 -4.167 -17.025) 18.956 4.716 ( 12.582 7.264 1.024) 14.564 6.947 ( 5.418 3.128 -8.122) 10.252 7.258 ( -22.372 -12.917 -14.308) 29.531 7.293 ( -1.809 -1.044 9.140) 9.375 7.374 ( 1.299 0.750 -2.794) 3.172 8.550 ( 28.994 16.740 2.455) 33.569 9.509 ( 6.203 3.581 -2.965) 7.752 9.549 ( 2.444 1.411 13.932) 14.215 10.270 ( 7.427 4.288 -11.532) 14.372 10.438 ( 4.540 2.621 2.231) 5.698 10.684 ( -4.198 -2.424 -2.619) 5.510 11.986 ( 10.777 6.222 3.300) 12.874 12.100 ( 3.520 2.032 -0.533) 4.100 13.190 ( -2.804 -1.619 -0.067) 3.239 15.584 ( 7.934 4.580 0.018) 9.161 15.926 ( -3.036 -1.753 0.408) 3.530 15.935 ( -2.536 -1.464 0.035) 2.928 18.902 ( 3.471 2.004 0.167) 4.011 19.756 ( 37.415 21.602 10.048) 44.357 ======================= Grid point 498 (89/119) ======================= q-point: ( 0.07 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( -2.155 14.817 9.627) 17.801 1.165 ( 3.318 7.847 7.512) 11.358 1.501 ( 6.645 1.114 -1.950) 7.014 1.692 ( -0.167 2.717 -9.787) 10.159 2.058 ( 1.152 1.407 0.171) 1.826 2.154 ( 16.434 22.057 8.483) 28.785 2.438 ( 8.776 18.032 1.537) 20.113 2.674 ( 8.091 12.349 -5.749) 15.844 4.506 ( -7.109 -10.915 -1.988) 13.177 6.807 ( -6.755 -2.965 -4.327) 8.552 7.063 ( -14.431 0.845 16.594) 22.007 7.457 ( 8.668 -5.339 -12.764) 16.327 7.689 ( 3.671 6.493 -10.060) 12.524 8.144 ( -2.162 -24.632 -7.690) 25.895 9.129 ( -14.637 -7.081 4.589) 16.895 9.764 ( 12.996 -11.451 6.233) 18.409 9.902 ( -24.611 -3.600 -7.741) 26.049 10.500 ( 6.827 -8.855 -5.587) 12.499 10.723 ( -0.024 2.339 0.910) 2.510 11.808 ( -4.653 -13.490 1.829) 14.387 12.007 ( -4.642 -3.461 -0.559) 5.817 13.225 ( 0.470 1.440 0.295) 1.544 15.361 ( -12.185 -11.951 5.003) 17.785 15.895 ( 0.530 -1.894 0.171) 1.974 16.062 ( 2.697 4.064 -1.740) 5.178 18.851 ( -1.000 -3.513 1.604) 3.990 19.065 ( -24.129 -42.228 12.240) 50.152 ======================= Grid point 499 (90/119) ======================= q-point: ( 0.13 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( -1.060 16.672 6.575) 17.953 1.381 ( 8.595 10.842 10.587) 17.422 1.621 ( 5.607 3.077 -6.106) 8.842 1.787 ( 6.040 7.154 -7.738) 12.146 2.104 ( 1.609 2.908 0.002) 3.323 2.629 ( 14.955 12.309 2.851) 19.577 2.785 ( 11.808 12.195 -0.644) 16.987 3.021 ( 15.828 17.532 0.401) 23.623 4.313 ( -4.683 -4.835 -1.935) 7.003 6.586 ( -21.690 2.619 -0.310) 21.850 6.896 ( 1.569 -13.871 21.591) 25.711 7.171 ( -20.921 -20.570 -5.210) 29.799 7.711 ( 8.648 -2.466 -4.313) 9.974 8.069 ( 3.074 -13.246 -18.281) 22.784 8.941 ( -18.121 9.816 3.166) 20.850 9.380 ( -18.853 -2.724 0.567) 19.057 9.817 ( 3.894 -15.416 -9.659) 18.604 10.439 ( -2.167 -12.615 -11.706) 17.346 10.745 ( 6.520 -6.793 3.379) 10.003 11.623 ( -2.821 -6.969 -0.100) 7.519 11.914 ( -4.902 2.257 -0.246) 5.402 13.209 ( -2.867 -1.289 0.878) 3.264 14.968 ( -19.788 -9.428 11.182) 24.606 15.889 ( 1.182 -6.798 -0.841) 6.951 16.049 ( -2.935 -3.996 -0.280) 4.966 18.180 ( -29.614 -35.734 8.740) 47.226 18.856 ( 1.195 2.539 0.205) 2.814 ======================= Grid point 500 (91/119) ======================= q-point: ( 0.20 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( 3.394 17.537 3.289) 18.163 1.566 ( 4.465 5.185 5.094) 8.531 1.880 ( 15.062 12.047 -3.779) 19.654 2.001 ( 6.608 12.255 -1.783) 14.036 2.171 ( 1.906 4.450 0.084) 4.842 2.897 ( 7.973 4.474 -3.253) 9.704 3.036 ( 6.822 4.232 1.135) 8.108 3.532 ( 20.704 17.114 0.751) 26.872 4.284 ( 3.355 1.906 -0.197) 3.863 6.143 ( -26.042 -5.963 -2.491) 26.832 6.512 ( -17.837 -19.362 7.003) 27.241 6.801 ( -9.567 -20.923 6.665) 23.952 7.816 ( 8.375 -3.364 0.220) 9.028 8.077 ( 2.520 6.600 -1.435) 7.209 8.414 ( -36.647 -1.685 13.515) 39.096 9.255 ( -7.508 -3.846 -5.014) 9.813 9.693 ( 0.482 -6.281 -28.630) 29.314 10.205 ( -6.214 -16.806 -7.498) 19.424 10.838 ( 16.651 -15.604 0.658) 22.829 11.606 ( 3.358 2.602 -1.999) 4.695 11.882 ( -4.765 7.354 -1.418) 8.877 13.099 ( -7.161 -2.726 0.892) 7.714 14.510 ( -23.557 -6.736 13.367) 27.910 15.656 ( -16.609 -11.265 3.819) 20.429 16.021 ( 8.146 -11.058 0.491) 13.744 17.354 ( -27.850 -29.161 1.388) 40.347 18.948 ( 2.985 7.855 0.081) 8.404 ======================= Grid point 501 (92/119) ======================= q-point: ( 0.27 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( 6.707 16.331 1.072) 17.687 1.732 ( 8.188 7.426 0.983) 11.097 2.234 ( 6.709 12.914 -1.968) 14.685 2.258 ( 2.291 6.964 0.291) 7.337 2.302 ( 15.143 13.630 2.632) 20.543 3.016 ( 1.052 1.496 -5.700) 5.986 3.161 ( 7.995 3.986 4.838) 10.160 4.020 ( 17.677 11.658 -2.051) 21.274 4.439 ( 9.096 4.436 1.148) 10.184 5.626 ( -20.866 -13.515 -8.307) 26.211 6.027 ( -18.807 -23.238 12.099) 32.250 6.319 ( -23.905 -2.636 -4.379) 24.446 7.541 ( -41.435 -7.785 27.679) 50.434 8.059 ( 12.500 -3.779 -0.274) 13.062 8.349 ( 9.967 6.746 0.280) 12.039 8.965 ( -10.499 -7.728 -6.686) 14.651 9.738 ( 0.556 5.276 -29.049) 29.529 9.916 ( -6.421 -17.368 2.735) 18.718 10.965 ( 15.582 -18.254 -3.365) 24.235 11.778 ( 9.150 8.198 -5.825) 13.596 11.874 ( -3.743 5.833 -4.546) 8.289 12.930 ( -9.054 -1.555 1.041) 9.246 14.030 ( -24.614 -4.678 9.481) 26.788 15.181 ( -21.740 -14.369 13.918) 29.543 16.061 ( 10.254 -13.658 0.141) 17.080 16.648 ( -22.933 -23.564 -4.615) 33.204 19.096 ( 2.563 11.103 -0.003) 11.395 ======================= Grid point 502 (93/119) ======================= q-point: ( 0.33 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( 5.914 11.229 0.706) 12.711 1.961 ( 8.221 6.700 0.683) 10.628 2.353 ( 2.344 6.129 0.009) 6.562 2.498 ( 5.741 15.622 -0.825) 16.664 2.616 ( 4.951 7.688 -2.654) 9.522 3.045 ( 3.538 6.428 1.930) 7.587 3.488 ( 20.541 11.279 8.343) 24.875 4.333 ( 8.225 4.347 -6.054) 11.099 4.620 ( 6.120 1.284 2.576) 6.764 5.143 ( -18.341 -19.816 -5.700) 27.596 5.452 ( -20.524 -6.413 -6.522) 22.471 6.003 ( -15.822 2.205 1.170) 16.017 6.683 ( -41.894 -15.788 26.176) 51.861 8.201 ( 8.902 -2.829 -1.932) 9.539 8.534 ( 11.195 -5.303 -10.012) 15.928 8.971 ( 7.985 9.826 7.176) 14.554 9.569 ( -7.909 -16.891 7.597) 20.139 9.839 ( -3.072 9.398 -16.086) 18.882 10.921 ( -3.189 -16.245 -8.813) 18.755 11.842 ( 1.562 -3.021 -0.424) 3.427 12.077 ( 11.218 9.001 -11.941) 18.693 12.784 ( -7.768 2.113 1.062) 8.120 13.622 ( -16.730 -0.023 0.708) 16.745 14.654 ( -22.100 -14.274 21.942) 34.258 16.094 ( 3.333 -15.649 -2.251) 16.158 16.105 ( -8.770 -17.355 -4.110) 19.874 19.242 ( 0.377 12.193 -0.008) 12.198 ======================= Grid point 503 (94/119) ======================= q-point: ( 0.40 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.054 ( 1.226 7.566 0.335) 7.672 2.123 ( 5.315 2.662 1.103) 6.046 2.436 ( 0.179 4.231 1.050) 4.363 2.568 ( -5.030 0.876 -6.057) 7.922 2.793 ( 2.535 17.284 -0.457) 17.475 3.321 ( 13.738 14.266 5.614) 20.585 4.004 ( 21.499 9.581 10.715) 25.861 4.378 ( -3.906 -3.597 -8.376) 9.917 4.482 ( -16.915 -9.494 -2.021) 19.502 4.770 ( -3.636 -4.815 0.493) 6.054 5.318 ( 1.920 6.959 -18.254) 19.629 5.773 ( -18.837 -4.649 14.810) 24.409 5.862 ( -23.510 -12.672 8.264) 27.957 8.444 ( 17.225 6.687 -2.457) 18.641 8.634 ( 10.146 -15.349 -1.473) 18.458 9.237 ( 7.444 12.064 11.177) 18.052 9.319 ( -2.013 -10.686 4.421) 11.738 9.832 ( -10.873 9.502 -4.581) 15.149 10.537 ( -20.062 -13.100 -18.937) 30.540 11.873 ( 7.882 -8.150 2.398) 11.589 12.269 ( 2.521 2.739 -4.467) 5.815 12.691 ( -8.524 7.349 0.334) 11.259 13.568 ( 5.782 9.494 -8.311) 13.880 14.143 ( -19.780 -13.561 18.744) 30.438 15.746 ( -7.761 -12.512 -2.431) 14.923 16.119 ( 9.940 -15.729 -0.029) 18.607 19.343 ( -2.707 11.756 0.019) 12.064 ======================= Grid point 504 (95/119) ======================= q-point: ( 0.47 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( -2.953 5.469 -0.056) 6.216 2.199 ( 1.665 -0.493 -0.317) 1.765 2.433 ( -0.725 0.433 -0.216) 0.872 2.521 ( -4.904 5.472 -2.363) 7.718 2.914 ( -6.395 11.112 -0.372) 12.826 3.732 ( 10.886 7.582 4.597) 14.040 3.935 ( -12.842 -0.681 -2.828) 13.167 4.260 ( -0.453 -1.593 -0.224) 1.671 4.546 ( 7.726 2.350 2.817) 8.552 4.646 ( -3.387 -3.108 -3.821) 5.978 5.171 ( -22.193 -3.654 20.521) 30.446 5.608 ( 17.410 0.135 -9.413) 19.792 5.797 ( 6.404 8.842 -15.015) 18.565 8.465 ( -0.981 -25.751 15.603) 30.126 8.824 ( 5.506 7.175 1.661) 9.196 9.330 ( 10.017 -5.938 -9.927) 15.301 9.456 ( -8.467 9.173 -4.650) 13.322 9.634 ( 0.770 8.535 20.712) 22.415 10.194 ( -9.984 0.457 -25.117) 27.032 11.917 ( 6.303 -9.644 3.259) 11.974 12.246 ( -2.644 -3.838 3.670) 5.932 12.653 ( -7.171 12.598 0.327) 14.500 13.597 ( -17.222 -4.269 16.182) 24.014 14.066 ( 22.931 9.516 -20.917) 32.464 15.577 ( -0.117 -8.007 4.869) 9.372 16.127 ( 9.339 -16.114 -0.092) 18.625 19.378 ( -6.000 10.297 0.075) 11.918 ======================= Grid point 506 (96/119) ======================= q-point: (-0.47 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( -7.012 3.350 -0.339) 7.779 2.152 ( -4.434 -3.734 -1.390) 5.961 2.460 ( -7.131 3.003 -0.000) 7.738 2.476 ( 3.311 1.620 0.784) 3.769 2.796 ( -16.025 6.397 -0.595) 17.265 3.412 ( -19.824 -8.486 -1.817) 21.640 4.194 ( 3.841 2.593 8.594) 9.764 4.252 ( -15.532 -13.372 -11.178) 23.345 4.440 ( 20.032 10.347 1.100) 22.574 4.786 ( 5.015 1.712 -0.765) 5.354 5.000 ( -2.232 13.808 10.158) 17.286 5.776 ( 9.133 2.557 3.280) 10.036 6.373 ( 34.656 18.048 -27.011) 47.502 8.134 ( -6.403 -24.284 22.705) 33.856 8.701 ( -15.505 0.133 -7.719) 17.321 9.138 ( -18.719 3.952 19.238) 27.131 9.526 ( 16.855 -9.204 -12.609) 22.974 10.053 ( -4.357 2.318 -19.188) 19.812 10.225 ( 24.628 19.426 6.127) 31.960 11.873 ( 1.130 -12.131 4.194) 12.885 12.119 ( -7.838 -3.955 6.839) 11.128 12.699 ( -0.502 9.261 -0.234) 9.278 13.354 ( -6.480 5.556 9.023) 12.420 14.646 ( 26.690 12.744 -24.942) 38.689 15.591 ( 9.232 -3.226 12.485) 15.859 16.120 ( 8.652 -16.369 -0.115) 18.515 19.341 ( -8.942 8.180 0.191) 12.121 ======================= Grid point 507 (97/119) ======================= q-point: (-0.40 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( -12.593 1.171 -0.789) 12.672 1.982 ( -9.623 -4.916 -0.889) 10.842 2.351 ( -6.770 0.668 0.164) 6.805 2.473 ( -9.903 -1.070 0.081) 9.961 2.578 ( -11.260 4.327 0.437) 12.071 3.038 ( -13.720 -4.266 3.357) 14.755 3.766 ( -20.639 -14.153 -15.865) 29.631 4.176 ( -5.864 -2.740 8.396) 10.601 4.670 ( -3.773 -4.962 -1.747) 6.473 4.992 ( 19.934 6.964 5.571) 21.838 5.444 ( 26.924 25.814 -3.164) 37.433 6.043 ( 11.493 11.230 -1.506) 16.139 7.213 ( 38.695 19.791 -22.290) 48.845 7.828 ( -1.606 -20.286 23.540) 31.117 8.537 ( -8.507 11.460 -2.584) 14.505 8.859 ( -14.700 -0.044 19.759) 24.627 9.697 ( 11.902 -10.377 -10.474) 18.948 9.907 ( -9.047 -1.285 -19.788) 21.796 10.787 ( 20.858 3.180 3.429) 21.376 11.730 ( -3.252 -10.623 11.907) 16.285 11.940 ( -8.567 0.571 -0.728) 8.617 12.786 ( 1.702 6.153 0.850) 6.441 13.550 ( 13.208 19.132 5.504) 23.891 15.143 ( 18.475 6.307 -20.271) 28.143 15.890 ( 24.843 5.664 12.342) 28.312 16.100 ( 7.890 -16.175 -0.061) 17.997 19.236 ( -10.946 5.753 0.412) 12.372 ======================= Grid point 508 (98/119) ======================= q-point: (-0.33 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( -14.651 0.077 -1.524) 14.730 1.768 ( -9.655 -2.387 -1.326) 10.034 2.188 ( -15.333 -2.940 0.490) 15.619 2.260 ( -6.986 1.505 0.036) 7.147 2.347 ( -18.012 -2.273 -2.276) 18.297 2.898 ( -2.908 0.105 8.256) 8.753 3.335 ( -14.124 -9.619 -12.544) 21.198 3.936 ( -16.001 -6.864 5.494) 18.258 4.476 ( -8.750 -6.418 -1.897) 11.016 5.499 ( 26.159 12.294 2.888) 29.048 6.222 ( 27.053 22.161 1.071) 34.987 6.338 ( 18.166 4.822 -11.252) 21.906 7.647 ( 0.524 -12.951 24.679) 27.876 8.079 ( 34.499 21.305 -21.106) 45.711 8.410 ( -17.771 1.003 17.399) 24.891 8.901 ( 13.383 17.521 -4.983) 22.604 9.583 ( -14.817 -0.559 -24.550) 28.680 9.872 ( 12.315 -16.086 7.134) 21.478 10.965 ( 10.836 -18.731 -3.089) 21.859 11.599 ( -5.945 0.928 10.698) 12.274 11.870 ( -4.033 6.300 -2.627) 7.928 12.909 ( 5.291 6.608 2.881) 8.942 14.074 ( 20.928 20.914 3.517) 29.795 15.462 ( 15.294 2.523 -8.613) 17.733 16.063 ( 6.791 -15.475 0.032) 16.900 16.519 ( 35.136 11.508 5.807) 37.426 19.087 ( -11.194 3.432 0.754) 11.733 ======================= Grid point 509 (99/119) ======================= q-point: (-0.27 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( -11.245 1.889 -3.688) 11.984 1.617 ( -6.099 -2.043 2.911) 7.060 1.888 ( -14.207 -3.644 -6.229) 15.935 1.975 ( -20.433 -2.301 -0.033) 20.562 2.171 ( -5.034 0.609 0.102) 5.072 2.821 ( -7.209 -1.600 6.583) 9.892 3.061 ( -10.517 -5.927 -3.917) 12.691 3.512 ( -23.230 -8.059 2.499) 24.715 4.313 ( -3.024 -2.987 -2.616) 4.991 6.099 ( 25.189 16.193 1.750) 29.996 6.575 ( 12.197 11.317 -0.578) 16.649 6.982 ( 38.040 -6.144 -6.415) 39.063 7.545 ( -1.149 -4.426 18.044) 18.614 8.083 ( -16.232 -1.941 2.364) 16.517 8.833 ( 23.621 25.852 -17.388) 39.098 9.316 ( -13.631 -0.847 -15.395) 20.579 9.430 ( 21.687 15.927 -7.790) 28.012 9.946 ( 15.803 -13.615 16.120) 26.362 10.893 ( 4.720 -19.223 -3.757) 20.148 11.543 ( -2.119 2.379 4.414) 5.443 11.888 ( -2.166 7.140 -1.940) 7.709 13.079 ( 6.450 5.399 2.836) 8.876 14.617 ( 19.864 15.146 2.731) 25.128 15.736 ( 13.015 1.095 -2.586) 13.314 16.032 ( 5.774 -11.083 -0.442) 12.505 17.299 ( 40.787 12.044 6.197) 42.977 18.936 ( -8.569 1.740 1.082) 8.811 ======================= Grid point 510 (100/119) ======================= q-point: (-0.20 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( -8.572 0.156 -2.922) 9.058 1.415 ( -14.574 -5.347 6.910) 16.993 1.622 ( -10.867 -4.533 0.504) 11.786 1.733 ( -6.052 3.114 -9.705) 11.854 2.101 ( -3.469 0.291 0.236) 3.489 2.574 ( -19.364 -1.932 7.288) 20.780 2.795 ( -15.215 -4.828 -1.180) 16.006 3.024 ( -23.290 -5.203 0.234) 23.865 4.333 ( 6.543 -0.086 -3.560) 7.450 6.609 ( 12.658 14.692 -1.526) 19.453 6.942 ( 21.259 -2.750 11.570) 24.359 7.317 ( 12.830 -10.898 -6.268) 17.963 7.624 ( 11.872 -0.621 8.369) 14.538 7.895 ( -4.733 6.205 -16.429) 18.188 9.113 ( -5.630 -1.710 -10.728) 12.236 9.409 ( 12.333 25.065 -5.975) 28.566 9.787 ( 18.668 -13.653 0.942) 23.147 10.232 ( 15.235 10.034 3.738) 18.621 10.783 ( 0.241 -9.640 -0.513) 9.657 11.594 ( 6.399 1.969 2.310) 7.083 11.936 ( 1.934 2.975 -2.000) 4.073 13.206 ( 3.140 2.157 1.337) 4.037 15.052 ( 18.303 5.789 3.391) 19.494 15.870 ( 4.904 -4.692 0.680) 6.821 16.068 ( 3.604 -0.356 -1.882) 4.081 18.161 ( 45.988 9.564 10.598) 48.152 18.848 ( -2.693 0.992 0.875) 3.001 ======================= Grid point 515 (101/119) ======================= q-point: ( 0.13 0.13 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( 5.009 11.472 1.106) 12.567 1.569 ( 2.392 7.728 8.171) 11.498 1.828 ( 6.810 15.956 -8.746) 19.429 1.987 ( 11.017 14.556 -1.511) 18.318 2.181 ( 2.771 4.774 0.065) 5.520 2.824 ( 6.631 7.428 0.314) 9.962 2.989 ( 4.428 8.413 0.092) 9.508 3.429 ( 12.881 21.498 1.486) 25.106 4.273 ( -0.169 1.399 -1.756) 2.251 6.374 ( -9.518 -31.351 17.004) 36.914 6.659 ( -20.628 -3.564 -6.610) 21.953 6.745 ( -9.032 -17.982 -8.547) 21.863 7.599 ( 6.716 -6.845 2.144) 9.826 8.071 ( 6.427 10.855 2.760) 12.913 9.058 ( -27.793 -8.030 9.071) 30.319 9.359 ( -13.233 -3.526 7.236) 15.489 9.450 ( 16.159 -7.202 -27.918) 33.051 10.032 ( 3.496 -27.775 -10.268) 29.818 10.600 ( -8.837 -5.190 -0.630) 10.268 11.583 ( 2.800 2.130 1.303) 3.752 11.965 ( 1.137 2.113 -1.623) 2.897 13.148 ( -2.117 -4.941 2.420) 5.896 14.763 ( -11.637 -12.148 7.407) 18.381 15.756 ( -1.712 -7.192 0.297) 7.399 15.856 ( -11.790 -13.223 0.348) 17.719 17.436 ( -20.143 -37.778 4.362) 43.034 18.964 ( 5.068 8.065 0.520) 9.540 ======================= Grid point 516 (102/119) ======================= q-point: ( 0.20 0.13 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( 5.986 8.673 0.463) 10.548 1.724 ( 4.634 15.167 4.803) 16.571 2.149 ( 11.969 14.099 -4.111) 18.946 2.270 ( 3.161 6.502 -0.134) 7.231 2.354 ( 7.787 20.786 1.880) 22.276 2.996 ( 6.202 6.447 -5.116) 10.305 3.094 ( 2.175 2.378 1.200) 3.439 3.862 ( 14.980 15.331 0.685) 21.445 4.355 ( 5.172 4.901 -0.353) 7.134 5.801 ( -19.147 -27.728 4.312) 33.971 6.103 ( -18.216 -18.760 -0.906) 26.164 6.646 ( -10.193 4.494 -2.753) 11.475 7.673 ( 12.869 -12.153 -7.163) 19.095 8.260 ( -35.533 -7.211 13.047) 38.533 8.352 ( -1.101 9.816 19.282) 21.665 9.051 ( -12.164 -12.375 7.936) 19.081 9.720 ( 10.614 7.821 -28.142) 31.077 9.788 ( -2.164 -24.162 -15.320) 28.691 10.506 ( 10.088 -13.180 -1.633) 16.678 11.714 ( 6.917 6.385 -0.966) 9.463 11.979 ( -2.511 1.483 -3.308) 4.410 13.041 ( -5.089 -2.874 2.558) 6.380 14.402 ( -20.024 -5.163 8.389) 22.316 15.403 ( -20.692 -14.264 6.541) 25.970 15.709 ( 8.264 -17.584 0.497) 19.435 16.740 ( -19.563 -31.703 -2.043) 37.309 19.161 ( 4.945 12.697 0.137) 13.626 ======================= Grid point 517 (103/119) ======================= q-point: ( 0.27 0.13 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( 6.533 7.885 2.016) 10.436 1.972 ( 4.476 15.258 0.977) 15.931 2.374 ( 2.611 5.523 -0.267) 6.114 2.484 ( 10.551 10.814 -1.954) 15.235 2.704 ( 5.160 24.393 2.104) 25.021 3.094 ( -1.049 7.707 -4.808) 9.144 3.281 ( 14.950 8.377 3.910) 17.578 4.219 ( 11.433 8.013 -2.499) 14.183 4.510 ( 7.269 2.362 1.205) 7.738 5.245 ( -16.250 -20.958 -1.344) 26.554 5.624 ( -15.799 -17.719 -0.308) 23.742 6.442 ( -21.940 10.632 -2.084) 24.469 7.313 ( -46.557 -15.761 18.610) 52.557 7.823 ( 18.750 -17.671 -17.230) 30.995 8.477 ( -4.554 1.566 17.553) 18.201 8.938 ( 6.985 8.614 9.704) 14.736 9.486 ( -4.769 -21.696 -4.012) 22.574 9.944 ( 3.612 11.669 -19.675) 23.159 10.624 ( 14.845 -12.735 -5.918) 20.434 11.851 ( -3.073 -4.774 2.241) 6.104 11.973 ( 7.751 6.573 -13.269) 16.714 12.940 ( -5.864 2.712 1.349) 6.600 13.987 ( -23.139 -0.677 3.785) 23.456 14.889 ( -21.464 -14.185 17.249) 30.975 15.696 ( 12.198 -21.047 0.072) 24.326 16.147 ( -14.945 -26.200 -6.495) 30.855 19.367 ( 2.344 14.989 -0.019) 15.171 ======================= Grid point 518 (104/119) ======================= q-point: ( 0.33 0.13 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( 5.322 4.758 1.646) 7.326 2.153 ( 0.643 11.818 0.754) 11.860 2.462 ( 1.518 3.009 -0.207) 3.377 2.657 ( -0.572 6.243 -4.124) 7.504 2.989 ( 0.349 24.072 -0.566) 24.081 3.274 ( 8.811 15.404 1.688) 17.826 3.715 ( 21.923 10.662 7.248) 25.433 4.371 ( 1.260 -0.485 -5.834) 5.988 4.592 ( -0.921 -3.944 0.977) 4.166 4.820 ( -12.142 -10.993 1.601) 16.457 5.300 ( -2.720 -9.511 -7.398) 12.353 6.101 ( -23.075 -2.970 -5.777) 23.972 6.380 ( -43.404 -5.810 19.084) 47.769 7.995 ( 21.613 -21.914 -15.402) 34.418 8.471 ( 5.064 5.643 9.747) 12.349 9.171 ( 3.997 -10.739 9.738) 15.038 9.292 ( 2.560 9.336 5.167) 10.973 10.072 ( -3.223 12.104 -8.781) 15.297 10.629 ( -3.583 -11.024 -9.948) 15.275 11.707 ( -0.150 -9.283 2.479) 9.610 12.195 ( 8.199 1.644 -12.304) 14.876 12.913 ( -4.759 11.298 -2.187) 12.453 13.678 ( -11.003 4.093 -3.161) 12.158 14.381 ( -22.200 -12.122 22.584) 33.909 15.696 ( 7.815 -23.430 -0.354) 24.701 15.722 ( -1.822 -19.994 -5.332) 20.772 19.528 ( -1.489 15.364 -0.051) 15.436 ======================= Grid point 519 (105/119) ======================= q-point: ( 0.40 0.13 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.163 ( 3.063 2.381 0.585) 3.923 2.236 ( -3.028 9.254 0.309) 9.742 2.460 ( -1.974 -0.559 -0.884) 2.234 2.674 ( -4.436 7.812 -1.568) 9.120 3.184 ( -5.453 20.920 -0.617) 21.628 3.625 ( 12.091 13.333 2.559) 18.180 4.083 ( 3.635 -0.161 5.775) 6.826 4.285 ( -5.745 -3.952 -5.663) 8.983 4.434 ( 1.440 3.269 0.713) 3.642 4.684 ( -3.028 -3.439 1.811) 4.927 5.299 ( 6.826 -10.296 -5.398) 13.481 5.506 ( -19.187 -15.388 7.850) 25.818 5.979 ( -15.596 18.566 -4.658) 24.691 8.045 ( 14.666 -31.066 -1.124) 34.372 8.757 ( 11.529 10.370 1.720) 15.601 9.103 ( 7.476 -8.573 3.266) 11.834 9.526 ( 4.885 16.591 8.424) 19.237 9.991 ( -19.765 3.924 -0.818) 20.167 10.364 ( -10.544 -2.317 -15.898) 19.217 11.696 ( 7.271 -8.799 6.588) 13.179 12.229 ( -0.498 -5.184 -6.122) 8.037 12.961 ( -9.040 17.501 -0.979) 19.722 13.786 ( 15.724 9.360 -13.811) 22.926 13.891 ( -21.158 -8.464 17.902) 28.979 15.462 ( -0.324 -16.049 1.121) 16.091 15.713 ( 13.727 -23.213 -0.446) 26.972 19.616 ( -5.676 14.262 -0.029) 15.350 ======================= Grid point 520 (106/119) ======================= q-point: (-0.53 0.13 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.181 ( -2.213 -1.164 -0.989) 2.689 2.238 ( -6.236 7.558 0.239) 9.801 2.450 ( 1.096 1.031 -0.326) 1.539 2.644 ( -7.688 6.320 1.169) 10.021 3.183 ( -15.408 15.076 -0.481) 21.563 3.658 ( -14.727 -5.943 -0.102) 15.881 4.138 ( 6.599 8.054 3.734) 11.061 4.243 ( 2.044 -1.809 -4.171) 4.985 4.428 ( -7.967 -4.937 0.698) 9.399 4.707 ( 6.493 4.112 -0.120) 7.687 5.120 ( -1.337 -2.281 9.041) 9.419 5.557 ( 17.379 -1.822 1.732) 17.560 6.148 ( 10.797 24.305 -16.903) 31.512 7.910 ( 4.198 -27.610 10.176) 29.724 8.862 ( -1.750 -5.256 -6.520) 8.556 9.165 ( 6.005 -8.536 -2.066) 10.639 9.589 ( -24.142 3.730 4.130) 24.775 9.916 ( 17.998 17.271 7.240) 25.974 10.287 ( -3.471 8.372 -12.266) 15.251 11.703 ( 3.667 -11.438 7.526) 14.175 12.153 ( -1.799 -4.779 -0.993) 5.202 12.922 ( -11.617 12.459 2.153) 17.170 13.558 ( -11.161 2.579 7.993) 13.969 14.301 ( 26.863 13.037 -20.113) 36.001 15.376 ( 6.908 -12.010 9.300) 16.687 15.714 ( 13.351 -23.537 -0.448) 27.064 19.615 ( -9.587 12.024 0.032) 15.379 ======================= Grid point 521 (107/119) ======================= q-point: (-0.47 0.13 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.079 ( -6.536 -2.937 -0.648) 7.195 2.161 ( -10.872 5.653 0.273) 12.257 2.464 ( -2.091 -1.111 -0.697) 2.468 2.556 ( -6.970 4.662 3.851) 9.227 2.984 ( -21.213 10.913 -0.044) 23.855 3.296 ( -18.944 -2.399 0.114) 19.096 3.943 ( -16.674 -16.288 -12.636) 26.514 4.221 ( -0.457 0.875 7.737) 7.799 4.597 ( 9.351 2.989 1.151) 9.884 4.806 ( 6.207 1.870 1.893) 6.753 5.260 ( 15.318 7.106 -3.401) 17.226 5.977 ( 18.940 19.402 6.155) 27.803 6.769 ( 31.600 21.317 -16.411) 41.500 7.663 ( -2.888 -21.321 14.376) 25.877 8.727 ( -5.141 1.828 -13.683) 14.731 9.170 ( -6.759 -7.406 12.554) 16.066 9.304 ( 1.134 -6.958 3.181) 7.734 10.081 ( -6.422 1.108 -9.045) 11.148 10.544 ( 12.064 10.025 -5.500) 16.621 11.618 ( 2.521 -10.123 12.620) 16.374 12.057 ( -5.128 -2.370 -1.638) 5.882 12.879 ( -4.491 8.450 1.181) 9.641 13.597 ( 3.851 17.202 4.047) 18.086 14.855 ( 22.067 7.085 -20.100) 30.678 15.508 ( 20.060 -3.995 13.411) 24.458 15.707 ( 12.856 -23.183 -0.347) 26.511 19.526 ( -12.670 8.996 0.142) 15.539 ======================= Grid point 522 (108/119) ======================= q-point: (-0.40 0.13 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( -10.472 -2.723 0.068) 10.821 1.973 ( -15.126 3.535 2.007) 15.662 2.371 ( -7.016 0.946 0.120) 7.081 2.436 ( -11.136 -2.123 -0.456) 11.346 2.710 ( -21.120 7.281 1.138) 22.368 3.023 ( -11.143 2.673 3.593) 12.010 3.489 ( -16.527 -13.327 -14.499) 25.709 4.122 ( -10.546 -1.952 6.129) 12.353 4.547 ( -6.362 -6.322 -1.815) 9.151 5.147 ( 24.000 7.484 5.447) 25.723 5.740 ( 29.968 3.604 -8.598) 31.384 6.446 ( 4.434 27.017 -2.089) 27.458 7.446 ( 7.494 -13.712 17.921) 23.777 7.619 ( 36.482 15.855 -9.948) 41.003 8.746 ( -13.147 4.858 5.685) 15.125 8.924 ( -0.227 9.957 -0.704) 9.985 9.369 ( 16.522 -21.973 7.905) 28.605 9.902 ( -14.876 1.630 -19.296) 24.419 10.624 ( 4.180 -15.681 -6.994) 17.672 11.662 ( 2.719 3.338 14.444) 15.072 11.965 ( -3.222 1.177 -6.096) 6.994 12.922 ( 0.650 6.452 2.728) 7.035 13.980 ( 15.233 21.410 3.241) 26.475 15.188 ( 16.570 -1.623 -6.587) 17.905 15.697 ( 12.150 -20.961 -0.088) 24.228 16.006 ( 33.372 5.355 4.279) 34.068 19.363 ( -14.304 5.603 0.301) 15.365 ======================= Grid point 523 (109/119) ======================= q-point: (-0.33 0.13 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( -12.386 0.410 0.654) 12.410 1.752 ( -11.948 -0.046 4.012) 12.604 2.141 ( -17.021 -1.402 -5.549) 17.957 2.274 ( -7.088 -0.088 -0.463) 7.104 2.366 ( -22.850 2.026 1.145) 22.968 2.931 ( -5.915 3.203 3.654) 7.655 3.165 ( -8.895 -6.925 -7.412) 13.491 3.833 ( -19.501 -2.467 3.223) 19.919 4.370 ( -6.959 -3.449 -1.581) 7.926 5.719 ( 31.686 8.843 7.990) 33.854 6.268 ( 31.799 -7.130 -11.222) 34.466 6.650 ( -1.720 12.762 -3.848) 13.440 7.473 ( 6.064 -0.918 10.381) 12.057 8.386 ( -18.577 -1.167 12.214) 22.263 8.473 ( 37.540 11.305 2.404) 39.279 9.267 ( 12.001 1.613 -7.283) 14.131 9.479 ( 21.628 -2.702 9.325) 23.708 9.632 ( -17.500 3.378 -26.550) 31.978 10.554 ( 8.732 -16.718 -5.391) 19.617 11.655 ( -6.172 3.256 5.020) 8.596 11.975 ( -0.466 3.203 -2.898) 4.345 13.027 ( 4.939 4.143 3.713) 7.439 14.443 ( 16.628 11.903 3.992) 20.836 15.484 ( 18.221 1.407 0.291) 18.277 15.717 ( 11.996 -16.084 0.002) 20.065 16.693 ( 38.587 5.669 1.663) 39.036 19.157 ( -13.609 2.443 0.475) 13.834 ======================= Grid point 531 (110/119) ======================= q-point: ( 0.20 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( 4.651 9.021 1.051) 10.204 2.019 ( 8.213 13.996 3.625) 16.628 2.372 ( 2.190 4.191 -0.346) 4.741 2.430 ( 9.241 12.923 -0.871) 15.911 2.797 ( 12.392 21.482 1.479) 24.844 3.122 ( 10.714 5.569 3.239) 12.502 3.249 ( -2.646 15.447 -11.272) 19.305 4.126 ( 9.160 10.532 2.354) 14.155 4.463 ( 1.873 5.523 -1.023) 5.921 5.256 ( -10.800 -24.207 4.303) 26.854 5.713 ( -16.799 -20.941 -6.078) 27.526 6.790 ( -1.637 4.619 -0.673) 4.947 7.358 ( 6.050 -18.059 -2.088) 19.160 7.773 ( -26.247 -31.490 4.013) 41.191 8.672 ( -6.240 13.548 21.496) 26.164 8.953 ( -7.507 2.003 10.129) 12.765 9.265 ( 4.615 -22.627 -11.564) 25.827 9.947 ( 8.674 11.193 -19.032) 23.722 10.404 ( 0.666 3.829 -8.044) 8.934 11.772 ( 4.745 -4.139 7.495) 9.789 11.970 ( -0.546 0.629 -9.363) 9.400 13.001 ( 0.330 -0.766 2.842) 2.962 14.243 ( -7.316 -12.098 3.314) 14.521 15.097 ( -17.555 -14.536 7.879) 24.115 15.423 ( -5.843 -10.081 -0.270) 11.655 16.103 ( -13.778 -31.694 -3.348) 34.722 19.425 ( 7.632 12.998 0.103) 15.073 ======================= Grid point 532 (111/119) ======================= q-point: ( 0.27 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.024 ( 4.108 6.122 1.153) 7.462 2.257 ( 2.817 13.049 1.705) 13.458 2.441 ( 2.838 1.252 -0.888) 3.227 2.689 ( 6.214 9.312 1.042) 11.244 3.189 ( 5.953 22.454 -0.492) 23.235 3.330 ( 3.822 15.104 -1.157) 15.623 3.503 ( 14.111 13.731 -1.302) 19.732 4.327 ( 5.168 2.346 -0.550) 5.702 4.529 ( 2.314 -0.298 -0.036) 2.334 4.899 ( -9.207 -12.679 3.511) 16.057 5.273 ( -10.129 -17.058 -5.810) 20.672 6.459 ( -28.325 -19.428 1.824) 34.396 7.049 ( -29.077 -4.294 4.204) 29.692 7.421 ( 14.657 -17.900 -5.419) 23.761 8.507 ( -5.005 2.944 9.492) 11.128 8.953 ( 2.280 -18.149 -2.243) 18.428 9.336 ( 8.844 16.926 9.794) 21.462 10.157 ( 5.092 7.730 -9.367) 13.169 10.545 ( 4.789 4.673 -7.429) 9.998 11.655 ( -4.170 -13.110 6.508) 15.219 12.066 ( 7.037 2.120 -14.090) 15.891 13.039 ( 1.227 7.056 -0.661) 7.192 13.955 ( -15.352 -3.475 0.019) 15.740 14.654 ( -20.214 -8.175 17.141) 27.735 15.284 ( 5.828 -19.080 -0.001) 19.951 15.612 ( -8.211 -27.032 -6.730) 29.042 19.660 ( 3.761 13.693 -0.052) 14.200 ======================= Grid point 533 (112/119) ======================= q-point: ( 0.33 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( 3.347 4.330 0.709) 5.519 2.371 ( -1.636 8.266 0.789) 8.464 2.479 ( -0.093 0.600 -1.561) 1.675 2.809 ( -1.276 7.762 0.093) 7.867 3.466 ( 0.980 22.308 -0.699) 22.340 3.593 ( 6.297 15.111 0.986) 16.401 3.899 ( 16.395 8.348 2.511) 18.569 4.322 ( -3.649 -4.012 -3.982) 6.728 4.501 ( -3.519 -4.308 0.500) 5.585 4.701 ( -3.479 -1.895 5.914) 7.118 5.090 ( 4.131 -11.141 -6.999) 13.790 5.676 ( -27.033 -28.475 1.441) 39.290 6.603 ( -29.330 16.640 2.079) 33.785 7.454 ( 15.395 -27.264 -1.641) 31.353 8.586 ( 9.897 -11.346 -1.466) 15.127 8.932 ( 8.883 7.646 4.484) 12.549 9.647 ( 3.608 19.353 7.388) 21.028 10.250 ( -4.051 5.259 -4.209) 7.860 10.512 ( -9.336 -2.850 -7.454) 12.282 11.518 ( 2.851 -8.564 10.001) 13.472 12.152 ( 3.230 -4.800 -14.317) 15.441 13.215 ( 3.584 17.706 -6.146) 19.082 13.724 ( -6.645 -0.288 -1.337) 6.784 14.230 ( -22.083 -1.538 16.826) 27.805 15.211 ( 8.863 -24.167 1.226) 25.770 15.307 ( 2.293 -21.325 -4.658) 21.948 19.817 ( -1.157 12.838 -0.097) 12.891 ======================= Grid point 534 (113/119) ======================= q-point: ( 0.40 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.209 ( -0.431 2.172 -0.322) 2.237 2.383 ( -2.052 2.876 0.870) 3.639 2.474 ( -2.380 3.998 -1.750) 4.971 2.826 ( -5.187 6.836 1.504) 8.712 3.600 ( -11.470 19.878 -0.706) 22.961 3.757 ( -0.708 1.236 0.585) 1.540 4.145 ( 2.809 5.044 1.802) 6.048 4.226 ( -1.833 -1.935 -3.445) 4.356 4.429 ( 1.162 -4.133 1.868) 4.683 4.699 ( 0.981 3.070 3.154) 4.510 5.020 ( -0.876 -13.953 2.167) 14.148 5.252 ( 9.011 -9.436 -3.290) 13.456 6.433 ( -12.213 24.133 -1.271) 27.077 7.453 ( 15.204 -24.882 -1.799) 29.215 8.575 ( 11.971 -22.783 0.441) 25.740 9.216 ( -2.109 12.243 1.408) 12.503 9.862 ( 1.660 14.357 5.679) 15.528 10.050 ( -15.902 6.937 -5.785) 18.288 10.387 ( -2.361 0.915 -4.229) 4.929 11.529 ( 5.108 -7.971 12.728) 15.863 12.114 ( 0.127 -5.493 -11.406) 12.660 13.298 ( -15.342 13.452 3.804) 20.756 13.724 ( -1.970 -0.488 -3.184) 3.776 14.076 ( 8.525 14.206 -2.765) 16.797 15.105 ( 6.790 -19.163 6.043) 21.209 15.244 ( 12.567 -22.907 -1.641) 26.179 19.872 ( -6.173 10.651 -0.085) 12.311 ======================= Grid point 536 (114/119) ======================= q-point: (-0.53 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.155 ( -5.043 -1.255 -0.619) 5.233 2.376 ( -5.095 5.468 0.522) 7.492 2.468 ( -1.541 0.725 -0.825) 1.893 2.763 ( -8.810 5.434 3.630) 10.969 3.464 ( -20.575 10.487 -0.385) 23.096 3.602 ( -15.485 1.661 0.235) 15.575 4.020 ( -11.623 -14.599 -8.139) 20.358 4.218 ( 2.679 3.214 5.247) 6.711 4.503 ( 5.681 3.794 1.061) 6.913 4.754 ( 2.121 1.148 1.572) 2.878 5.030 ( 11.676 -6.245 -2.423) 13.461 5.642 ( 33.435 10.008 3.725) 35.098 6.651 ( 9.265 20.691 -1.671) 22.732 7.463 ( 6.415 -13.252 -2.556) 14.943 8.585 ( 14.592 -19.999 -0.746) 24.768 9.029 ( -13.275 -5.524 -4.443) 15.050 9.668 ( -21.535 4.631 6.633) 23.004 10.181 ( -2.539 7.830 1.621) 8.389 10.502 ( 10.166 10.987 -8.014) 16.979 11.488 ( 1.343 -8.452 14.118) 16.509 12.074 ( -0.472 -2.686 -8.886) 9.295 13.111 ( -13.244 6.685 3.373) 15.214 13.724 ( -0.966 11.908 -0.401) 11.954 14.549 ( 21.902 10.176 -12.980) 27.418 15.120 ( 15.416 -12.188 11.591) 22.816 15.249 ( 13.389 -20.965 -1.030) 24.897 19.817 ( -10.588 7.444 -0.035) 12.943 ======================= Grid point 537 (115/119) ======================= q-point: (-0.47 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.034 ( -7.358 -1.476 0.307) 7.511 2.265 ( -13.303 3.602 1.312) 13.845 2.433 ( -1.776 -1.456 -0.203) 2.305 2.641 ( -11.064 3.590 3.968) 12.290 3.168 ( -22.203 6.626 0.655) 23.180 3.320 ( -18.261 3.256 0.233) 18.550 3.630 ( -15.782 -13.999 -11.418) 23.988 4.255 ( -3.856 2.899 5.439) 7.270 4.558 ( -0.787 -4.037 -1.970) 4.561 4.877 ( 12.836 3.449 4.725) 14.106 5.296 ( 22.565 -1.162 -7.182) 23.709 6.434 ( 33.198 20.191 3.870) 39.048 7.060 ( 20.215 2.576 3.849) 20.738 7.395 ( 0.335 -2.569 -4.069) 4.823 8.737 ( 19.233 -7.966 -4.577) 21.315 8.843 ( 0.741 -8.925 0.680) 8.982 9.314 ( -21.837 2.387 13.531) 25.800 10.113 ( -8.219 2.193 -5.644) 10.208 10.587 ( -7.689 -3.464 -12.646) 15.200 11.566 ( 11.202 3.901 14.251) 18.541 12.025 ( -3.437 -0.451 -9.499) 10.111 13.015 ( -5.172 4.531 1.579) 7.054 13.941 ( 10.233 13.224 1.210) 16.765 14.868 ( 15.104 -6.327 0.337) 16.379 15.289 ( 13.366 -14.904 -0.392) 20.023 15.496 ( 29.664 3.656 1.181) 29.912 19.659 ( -13.786 3.686 0.034) 14.270 ======================= Grid point 548 (116/119) ======================= q-point: ( 0.27 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( 2.561 5.394 0.180) 5.974 2.433 ( -0.520 -0.574 -0.290) 0.827 2.478 ( 4.448 7.079 -0.407) 8.371 2.843 ( 5.536 6.084 3.417) 8.907 3.548 ( 8.033 14.053 0.259) 16.189 3.672 ( 9.650 17.015 0.207) 19.562 3.807 ( 5.254 16.180 -5.167) 17.779 4.299 ( 1.894 -4.591 2.605) 5.607 4.502 ( -3.041 -2.363 -1.752) 4.230 4.754 ( -3.506 -2.060 5.685) 6.990 4.966 ( -5.655 -13.706 -6.854) 16.335 5.797 ( -21.248 -38.259 3.047) 43.869 6.875 ( 1.988 -11.612 -2.008) 11.951 7.332 ( -11.805 1.750 2.523) 12.198 8.326 ( -7.328 -18.527 -1.283) 19.965 8.939 ( 6.733 17.985 -2.058) 19.314 9.727 ( 10.817 19.344 7.964) 23.550 10.271 ( 5.308 4.572 -2.622) 7.480 10.606 ( -4.655 -5.476 -7.285) 10.234 11.426 ( -1.410 -6.486 15.294) 16.672 12.065 ( 1.709 -1.590 -15.813) 15.985 13.213 ( 10.083 10.327 -1.470) 14.508 13.866 ( -4.151 -3.679 -0.233) 5.552 14.568 ( -14.625 -2.172 9.310) 17.473 14.939 ( -8.175 -16.582 0.561) 18.497 15.103 ( -4.747 -21.265 -3.664) 22.094 19.894 ( 5.376 9.267 -0.094) 10.714 ======================= Grid point 549 (117/119) ======================= q-point: ( 0.33 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.233 ( 1.949 5.024 0.019) 5.389 2.398 ( -1.343 -2.516 -0.234) 2.861 2.560 ( -0.714 4.266 -1.559) 4.598 2.939 ( -0.506 4.975 1.992) 5.383 3.754 ( 3.795 6.605 2.105) 7.903 3.931 ( -1.719 17.820 -0.208) 17.904 4.101 ( 9.782 12.561 -1.129) 15.961 4.247 ( -1.874 -2.600 -1.308) 3.462 4.416 ( -3.901 -3.933 0.458) 5.559 4.666 ( -2.435 -5.115 1.921) 5.981 4.866 ( 7.022 -10.152 -2.250) 12.547 5.134 ( -14.106 -23.082 -0.509) 27.056 6.896 ( -2.853 10.871 -5.076) 12.333 7.067 ( -6.591 -8.273 7.125) 12.753 8.121 ( 8.184 -25.767 -0.710) 27.044 9.360 ( 9.432 26.470 -0.499) 28.105 10.008 ( 0.163 14.787 5.444) 15.758 10.303 ( -9.680 -3.455 -4.975) 11.419 10.381 ( -1.065 -7.423 -3.637) 8.335 11.392 ( 2.448 -4.173 17.327) 17.990 12.046 ( 0.736 -4.862 -18.658) 19.295 13.571 ( 13.065 16.152 -6.662) 21.816 13.719 ( -11.932 1.940 4.841) 13.022 14.309 ( -16.087 8.136 5.816) 18.943 14.752 ( 8.699 -21.022 3.171) 22.971 14.885 ( 2.951 -20.188 -2.768) 20.589 20.020 ( -0.356 7.118 -0.140) 7.128 ======================= Grid point 550 (118/119) ======================= q-point: (-0.60 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.238 ( -4.966 0.515 -0.373) 5.007 2.394 ( 2.575 0.171 0.117) 2.584 2.562 ( -3.191 2.655 -1.715) 4.491 2.932 ( -4.998 3.368 2.539) 6.540 3.760 ( -6.963 -0.179 1.745) 7.181 3.929 ( -14.817 10.502 -0.240) 18.163 4.139 ( -14.826 -5.496 -4.370) 16.405 4.210 ( 1.484 2.564 1.854) 3.495 4.431 ( 5.933 2.041 -0.420) 6.288 4.694 ( 11.672 0.243 -1.019) 11.719 4.791 ( 0.648 -9.267 3.889) 10.071 5.160 ( 25.424 -1.180 -2.249) 25.551 6.784 ( -8.573 7.519 4.666) 12.321 7.216 ( 13.960 1.480 -5.637) 15.128 8.088 ( 15.690 -19.817 1.984) 25.354 9.381 ( -25.155 3.482 -2.158) 25.487 10.047 ( -14.757 5.034 3.508) 15.982 10.271 ( 11.511 9.182 -3.739) 15.191 10.359 ( 3.649 -1.847 -1.568) 4.380 11.394 ( 2.208 -4.403 17.421) 18.104 12.033 ( 2.174 -2.072 -17.854) 18.104 13.459 ( -19.185 5.392 4.002) 20.326 13.826 ( 0.710 4.390 -5.362) 6.966 14.376 ( 10.066 15.077 -0.252) 18.130 14.737 ( 10.660 -17.826 6.488) 21.760 14.847 ( 13.541 -12.286 -1.190) 18.323 20.020 ( -5.999 3.875 -0.131) 7.143 ======================= Grid point 564 (119/119) ======================= q-point: ( 0.33 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.16e-06 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.329 ( -1.895 -3.789 -0.102) 4.237 2.329 ( 1.894 3.789 -0.102) 4.237 2.599 ( -0.000 -0.000 -2.210) 2.210 2.993 ( -0.000 -0.000 2.029) 2.029 3.817 ( -0.000 -0.000 3.416) 3.416 4.176 ( -2.520 -5.040 0.423) 5.651 4.176 ( 2.520 5.040 0.423) 5.651 4.372 ( -1.069 -2.137 0.331) 2.412 4.372 ( 1.069 2.137 0.331) 2.412 4.464 ( -0.000 -0.000 -4.868) 4.868 4.819 ( -3.656 -7.311 -1.012) 8.236 4.819 ( 3.656 7.311 -1.012) 8.236 7.026 ( -3.242 -6.483 1.710) 7.447 7.026 ( 3.242 6.483 1.710) 7.447 7.796 ( 0.000 -0.000 -0.152) 0.152 9.878 ( -10.604 -21.209 -0.487) 23.717 9.878 ( 10.604 21.209 -0.487) 23.717 10.312 ( -2.876 -5.752 -1.333) 6.567 10.312 ( 2.876 5.752 -1.333) 6.567 11.346 ( -0.000 -0.000 18.756) 18.756 11.992 ( -0.000 -0.000 -21.385) 21.385 13.769 ( -2.570 -5.139 0.346) 5.756 13.769 ( 2.570 5.139 0.346) 5.756 14.465 ( -0.000 -0.000 3.951) 3.951 14.543 ( -4.830 -9.661 0.245) 10.804 14.543 ( 4.830 9.661 0.245) 10.804 20.093 ( -0.000 -0.000 -0.159) 0.159 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/30375 10.0 1378.473 1378.473 1268.846 0.000 -0.000 0.000 3/30375 20.0 225.529 225.529 145.461 0.000 -0.000 0.000 3/30375 30.0 92.224 92.224 52.695 0.000 -0.000 0.000 3/30375 40.0 52.781 52.781 28.477 0.000 -0.000 0.000 3/30375 50.0 35.725 35.725 18.601 0.000 -0.000 0.000 3/30375 60.0 26.621 26.621 13.541 0.000 -0.000 0.000 3/30375 70.0 21.090 21.090 10.565 0.000 -0.000 0.000 3/30375 80.0 17.423 17.423 8.645 0.000 -0.000 0.000 3/30375 90.0 14.834 14.834 7.320 0.000 -0.000 0.000 3/30375 100.0 12.919 12.919 6.357 0.000 -0.000 0.000 3/30375 110.0 11.450 11.450 5.628 0.000 -0.000 0.000 3/30375 120.0 10.290 10.290 5.058 0.000 -0.000 0.000 3/30375 130.0 9.351 9.351 4.600 0.000 -0.000 0.000 3/30375 140.0 8.577 8.577 4.224 0.000 -0.000 0.000 3/30375 150.0 7.928 7.928 3.909 0.000 -0.000 0.000 3/30375 160.0 7.376 7.376 3.641 -0.000 -0.000 0.000 3/30375 170.0 6.900 6.900 3.410 -0.000 -0.000 0.000 3/30375 180.0 6.486 6.486 3.208 -0.000 -0.000 0.000 3/30375 190.0 6.121 6.121 3.031 -0.000 -0.000 0.000 3/30375 200.0 5.798 5.798 2.873 -0.000 -0.000 0.000 3/30375 210.0 5.509 5.509 2.732 -0.000 -0.000 0.000 3/30375 220.0 5.249 5.249 2.604 -0.000 -0.000 0.000 3/30375 230.0 5.014 5.014 2.489 -0.000 -0.000 0.000 3/30375 240.0 4.800 4.800 2.383 -0.000 -0.000 0.000 3/30375 250.0 4.604 4.604 2.287 -0.000 -0.000 0.000 3/30375 260.0 4.424 4.424 2.198 -0.000 -0.000 0.000 3/30375 270.0 4.259 4.259 2.117 -0.000 -0.000 0.000 3/30375 280.0 4.105 4.105 2.041 -0.000 -0.000 0.000 3/30375 290.0 3.963 3.963 1.970 -0.000 -0.000 0.000 3/30375 300.0 3.830 3.830 1.905 -0.000 -0.000 0.000 3/30375 310.0 3.707 3.707 1.843 -0.000 -0.000 0.000 3/30375 320.0 3.591 3.591 1.786 -0.000 -0.000 0.000 3/30375 330.0 3.482 3.482 1.732 -0.000 -0.000 0.000 3/30375 340.0 3.380 3.380 1.681 -0.000 -0.000 0.000 3/30375 350.0 3.284 3.284 1.633 -0.000 -0.000 0.000 3/30375 360.0 3.193 3.193 1.588 -0.000 -0.000 0.000 3/30375 370.0 3.107 3.107 1.545 -0.000 -0.000 0.000 3/30375 380.0 3.026 3.026 1.505 -0.000 -0.000 0.000 3/30375 390.0 2.949 2.949 1.467 -0.000 -0.000 0.000 3/30375 400.0 2.876 2.876 1.430 -0.000 -0.000 0.000 3/30375 410.0 2.806 2.806 1.396 -0.000 -0.000 0.000 3/30375 420.0 2.740 2.740 1.363 -0.000 -0.000 0.000 3/30375 430.0 2.676 2.676 1.331 -0.000 -0.000 0.000 3/30375 440.0 2.616 2.616 1.301 -0.000 -0.000 0.000 3/30375 450.0 2.558 2.558 1.272 -0.000 -0.000 0.000 3/30375 460.0 2.503 2.503 1.245 -0.000 -0.000 0.000 3/30375 470.0 2.450 2.450 1.219 -0.000 -0.000 0.000 3/30375 480.0 2.400 2.400 1.193 -0.000 -0.000 0.000 3/30375 490.0 2.351 2.351 1.169 -0.000 -0.000 0.000 3/30375 500.0 2.304 2.304 1.146 -0.000 -0.000 0.000 3/30375 510.0 2.260 2.260 1.124 -0.000 -0.000 0.000 3/30375 520.0 2.216 2.216 1.102 -0.000 -0.000 0.000 3/30375 530.0 2.175 2.175 1.081 -0.000 -0.000 0.000 3/30375 540.0 2.135 2.135 1.061 -0.000 -0.000 0.000 3/30375 550.0 2.096 2.096 1.042 -0.000 -0.000 0.000 3/30375 560.0 2.059 2.059 1.024 -0.000 -0.000 0.000 3/30375 570.0 2.023 2.023 1.006 -0.000 -0.000 0.000 3/30375 580.0 1.989 1.989 0.989 -0.000 -0.000 0.000 3/30375 590.0 1.955 1.955 0.972 -0.000 -0.000 0.000 3/30375 600.0 1.923 1.923 0.956 -0.000 -0.000 0.000 3/30375 610.0 1.892 1.892 0.940 -0.000 -0.000 0.000 3/30375 620.0 1.861 1.861 0.925 -0.000 -0.000 0.000 3/30375 630.0 1.832 1.832 0.911 -0.000 -0.000 0.000 3/30375 640.0 1.803 1.803 0.896 -0.000 -0.000 0.000 3/30375 650.0 1.776 1.776 0.883 -0.000 -0.000 0.000 3/30375 660.0 1.749 1.749 0.869 -0.000 -0.000 0.000 3/30375 670.0 1.723 1.723 0.856 -0.000 -0.000 0.000 3/30375 680.0 1.698 1.698 0.844 -0.000 -0.000 0.000 3/30375 690.0 1.674 1.674 0.832 -0.000 -0.000 0.000 3/30375 700.0 1.650 1.650 0.820 -0.000 -0.000 0.000 3/30375 710.0 1.627 1.627 0.808 -0.000 -0.000 0.000 3/30375 720.0 1.604 1.604 0.797 -0.000 -0.000 0.000 3/30375 730.0 1.582 1.582 0.786 -0.000 -0.000 0.000 3/30375 740.0 1.561 1.561 0.776 -0.000 -0.000 0.000 3/30375 750.0 1.540 1.540 0.765 -0.000 -0.000 0.000 3/30375 760.0 1.520 1.520 0.755 -0.000 -0.000 0.000 3/30375 770.0 1.501 1.501 0.746 -0.000 -0.000 0.000 3/30375 780.0 1.481 1.481 0.736 -0.000 -0.000 0.000 3/30375 790.0 1.463 1.463 0.727 -0.000 -0.000 0.000 3/30375 800.0 1.445 1.445 0.718 -0.000 -0.000 0.000 3/30375 810.0 1.427 1.427 0.709 -0.000 -0.000 0.000 3/30375 820.0 1.409 1.409 0.700 -0.000 -0.000 0.000 3/30375 830.0 1.393 1.393 0.692 -0.000 -0.000 0.000 3/30375 840.0 1.376 1.376 0.684 -0.000 -0.000 0.000 3/30375 850.0 1.360 1.360 0.676 -0.000 -0.000 0.000 3/30375 860.0 1.344 1.344 0.668 -0.000 -0.000 0.000 3/30375 870.0 1.329 1.329 0.660 -0.000 -0.000 0.000 3/30375 880.0 1.314 1.314 0.653 -0.000 -0.000 0.000 3/30375 890.0 1.299 1.299 0.645 -0.000 -0.000 0.000 3/30375 900.0 1.285 1.285 0.638 -0.000 -0.000 0.000 3/30375 910.0 1.271 1.271 0.631 -0.000 -0.000 0.000 3/30375 920.0 1.257 1.257 0.624 -0.000 -0.000 0.000 3/30375 930.0 1.243 1.243 0.618 -0.000 -0.000 0.000 3/30375 940.0 1.230 1.230 0.611 -0.000 -0.000 0.000 3/30375 950.0 1.217 1.217 0.605 -0.000 -0.000 0.000 3/30375 960.0 1.205 1.205 0.598 -0.000 -0.000 0.000 3/30375 970.0 1.192 1.192 0.592 -0.000 -0.000 0.000 3/30375 980.0 1.180 1.180 0.586 -0.000 -0.000 0.000 3/30375 990.0 1.168 1.168 0.580 -0.000 -0.000 0.000 3/30375 1000.0 1.157 1.157 0.575 -0.000 -0.000 0.000 3/30375 Thermal conductivity related properties were written into "kappa-m15155.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:47:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|