----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:18:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.570436895061054 -5.564818405000000 0.000000000000000 b 3.570436895061054 5.564818405000000 0.000000000000000 c -1.357212574150095 0.000000000000000 6.361828893097329 Atomic positions (fractional): *1 O 0.84419163246386 0.57146916758445 0.23374659468069 15.999 *2 O 0.90172694003475 0.90172694003475 0.65591116932195 15.999 3 O 0.09827305996525 0.09827305996525 0.34408883067805 15.999 4 O 0.15580836753614 0.42853083241555 0.76625340531931 15.999 5 O 0.42853083241555 0.15580836753614 0.76625340531931 15.999 6 O 0.57146916758445 0.84419163246386 0.23374659468069 15.999 *7 K 0.62626731745301 0.62626731745301 0.85112685046685 39.098 *8 K 0.74164967295691 0.25835032704309 0.50000000000000 39.098 *9 K 0.80753233116284 0.19246766883716 0.00000000000000 39.098 10 K 0.25835032704309 0.74164967295691 0.50000000000000 39.098 11 K 0.37373268254699 0.37373268254699 0.14887314953315 39.098 12 K 0.19246766883716 0.80753233116284 0.00000000000000 39.098 *13 Ga 0.82950313983224 0.82950313983224 0.35235612454374 69.723 14 Ga 0.17049686016776 0.17049686016776 0.64764387545626 69.723 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.140873790122108 0.000000000000000 0.000000000000000 b 0.000000000000000 11.129636810000001 0.000000000000000 c -1.357212574150095 0.000000000000000 6.361828893097329 Atomic positions (fractional): *1 O 0.70783040002415 0.86363876756029 0.23374659468069 15.999 > 1 *2 O 0.90172694003475 0.00000000000000 0.65591116932195 15.999 > 2 3 O 0.09827305996525 0.00000000000000 0.34408883067805 15.999 > 3 4 O 0.29216959997585 0.13636123243971 0.76625340531931 15.999 > 4 5 O 0.29216959997585 0.86363876756029 0.76625340531931 15.999 > 5 6 O 0.70783040002415 0.13636123243971 0.23374659468069 15.999 > 6 7 O 0.20783040002415 0.36363876756029 0.23374659468069 15.999 > 1 8 O 0.40172694003475 0.50000000000000 0.65591116932195 15.999 > 2 9 O 0.59827305996525 0.50000000000000 0.34408883067805 15.999 > 3 10 O 0.79216959997585 0.63636123243971 0.76625340531931 15.999 > 4 11 O 0.79216959997585 0.36363876756029 0.76625340531931 15.999 > 5 12 O 0.20783040002415 0.63636123243971 0.23374659468069 15.999 > 6 *13 K 0.62626731745301 0.00000000000000 0.85112685046685 39.098 > 7 *14 K 0.50000000000000 0.75835032704309 0.50000000000000 39.098 > 8 *15 K 0.50000000000000 0.69246766883716 0.00000000000000 39.098 > 9 16 K 0.50000000000000 0.24164967295692 0.50000000000000 39.098 > 10 17 K 0.37373268254699 0.00000000000000 0.14887314953315 39.098 > 11 18 K 0.50000000000000 0.30753233116284 0.00000000000000 39.098 > 12 19 K 0.12626731745301 0.50000000000000 0.85112685046685 39.098 > 7 20 K 0.00000000000000 0.25835032704309 0.50000000000000 39.098 > 8 21 K 0.00000000000000 0.19246766883716 0.00000000000000 39.098 > 9 22 K 0.00000000000000 0.74164967295691 0.50000000000000 39.098 > 10 23 K 0.87373268254699 0.50000000000000 0.14887314953315 39.098 > 11 24 K 0.00000000000000 0.80753233116284 0.00000000000000 39.098 > 12 *25 Ga 0.82950313983224 0.00000000000000 0.35235612454374 69.723 > 13 26 Ga 0.17049686016776 0.00000000000000 0.64764387545626 69.723 > 14 27 Ga 0.32950313983224 0.50000000000000 0.35235612454374 69.723 > 13 28 Ga 0.67049686016776 0.50000000000000 0.64764387545626 69.723 > 14 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.281747580244216 0.000000000000000 0.000000000000000 b 0.000000000000000 11.129636810000001 0.000000000000000 c -2.714425148300190 0.000000000000000 12.723657786194657 Atomic positions (fractional): *1 O 0.35391520001208 0.86363876756029 0.11687329734034 15.999 > 1 2 O 0.85391520001208 0.86363876756029 0.11687329734034 15.999 > 1 3 O 0.35391520001208 0.86363876756029 0.61687329734034 15.999 > 1 4 O 0.85391520001208 0.86363876756029 0.61687329734034 15.999 > 1 *5 O 0.45086347001737 0.00000000000000 0.32795558466098 15.999 > 2 6 O 0.95086347001737 0.00000000000000 0.32795558466098 15.999 > 2 7 O 0.45086347001737 0.00000000000000 0.82795558466098 15.999 > 2 8 O 0.95086347001737 0.00000000000000 0.82795558466098 15.999 > 2 9 O 0.04913652998263 0.00000000000000 0.17204441533902 15.999 > 3 10 O 0.54913652998263 0.00000000000000 0.17204441533902 15.999 > 3 11 O 0.04913652998263 0.00000000000000 0.67204441533902 15.999 > 3 12 O 0.54913652998263 0.00000000000000 0.67204441533902 15.999 > 3 13 O 0.14608479998792 0.13636123243971 0.38312670265966 15.999 > 4 14 O 0.64608479998792 0.13636123243971 0.38312670265966 15.999 > 4 15 O 0.14608479998792 0.13636123243971 0.88312670265966 15.999 > 4 16 O 0.64608479998792 0.13636123243971 0.88312670265966 15.999 > 4 17 O 0.14608479998792 0.86363876756029 0.38312670265966 15.999 > 5 18 O 0.64608479998792 0.86363876756029 0.38312670265966 15.999 > 5 19 O 0.14608479998792 0.86363876756029 0.88312670265966 15.999 > 5 20 O 0.64608479998792 0.86363876756029 0.88312670265966 15.999 > 5 21 O 0.35391520001208 0.13636123243971 0.11687329734034 15.999 > 6 22 O 0.85391520001208 0.13636123243971 0.11687329734034 15.999 > 6 23 O 0.35391520001208 0.13636123243971 0.61687329734034 15.999 > 6 24 O 0.85391520001208 0.13636123243971 0.61687329734034 15.999 > 6 25 O 0.10391520001208 0.36363876756029 0.11687329734034 15.999 > 1 26 O 0.60391520001208 0.36363876756029 0.11687329734034 15.999 > 1 27 O 0.10391520001208 0.36363876756029 0.61687329734034 15.999 > 1 28 O 0.60391520001208 0.36363876756029 0.61687329734034 15.999 > 1 29 O 0.20086347001737 0.50000000000000 0.32795558466098 15.999 > 2 30 O 0.70086347001737 0.50000000000000 0.32795558466098 15.999 > 2 31 O 0.20086347001737 0.50000000000000 0.82795558466098 15.999 > 2 32 O 0.70086347001737 0.50000000000000 0.82795558466098 15.999 > 2 33 O 0.29913652998263 0.50000000000000 0.17204441533902 15.999 > 3 34 O 0.79913652998263 0.50000000000000 0.17204441533902 15.999 > 3 35 O 0.29913652998263 0.50000000000000 0.67204441533902 15.999 > 3 36 O 0.79913652998263 0.50000000000000 0.67204441533902 15.999 > 3 37 O 0.39608479998792 0.63636123243971 0.38312670265966 15.999 > 4 38 O 0.89608479998792 0.63636123243971 0.38312670265966 15.999 > 4 39 O 0.39608479998792 0.63636123243971 0.88312670265966 15.999 > 4 40 O 0.89608479998792 0.63636123243971 0.88312670265966 15.999 > 4 41 O 0.39608479998792 0.36363876756029 0.38312670265966 15.999 > 5 42 O 0.89608479998792 0.36363876756029 0.38312670265966 15.999 > 5 43 O 0.39608479998792 0.36363876756029 0.88312670265966 15.999 > 5 44 O 0.89608479998792 0.36363876756029 0.88312670265966 15.999 > 5 45 O 0.10391520001208 0.63636123243971 0.11687329734034 15.999 > 6 46 O 0.60391520001208 0.63636123243971 0.11687329734034 15.999 > 6 47 O 0.10391520001208 0.63636123243971 0.61687329734034 15.999 > 6 48 O 0.60391520001208 0.63636123243971 0.61687329734034 15.999 > 6 *49 K 0.31313365872650 0.00000000000000 0.42556342523342 39.098 > 7 50 K 0.81313365872650 0.00000000000000 0.42556342523342 39.098 > 7 51 K 0.31313365872650 0.00000000000000 0.92556342523342 39.098 > 7 52 K 0.81313365872650 0.00000000000000 0.92556342523342 39.098 > 7 *53 K 0.25000000000000 0.75835032704309 0.25000000000000 39.098 > 8 54 K 0.75000000000000 0.75835032704309 0.25000000000000 39.098 > 8 55 K 0.25000000000000 0.75835032704309 0.75000000000000 39.098 > 8 56 K 0.75000000000000 0.75835032704309 0.75000000000000 39.098 > 8 *57 K 0.25000000000000 0.69246766883716 0.00000000000000 39.098 > 9 58 K 0.75000000000000 0.69246766883716 0.00000000000000 39.098 > 9 59 K 0.25000000000000 0.69246766883716 0.50000000000000 39.098 > 9 60 K 0.75000000000000 0.69246766883716 0.50000000000000 39.098 > 9 61 K 0.25000000000000 0.24164967295692 0.25000000000000 39.098 > 10 62 K 0.75000000000000 0.24164967295692 0.25000000000000 39.098 > 10 63 K 0.25000000000000 0.24164967295692 0.75000000000000 39.098 > 10 64 K 0.75000000000000 0.24164967295692 0.75000000000000 39.098 > 10 65 K 0.18686634127350 0.00000000000000 0.07443657476658 39.098 > 11 66 K 0.68686634127350 0.00000000000000 0.07443657476658 39.098 > 11 67 K 0.18686634127350 0.00000000000000 0.57443657476658 39.098 > 11 68 K 0.68686634127350 0.00000000000000 0.57443657476658 39.098 > 11 69 K 0.25000000000000 0.30753233116284 0.00000000000000 39.098 > 12 70 K 0.75000000000000 0.30753233116284 0.00000000000000 39.098 > 12 71 K 0.25000000000000 0.30753233116284 0.50000000000000 39.098 > 12 72 K 0.75000000000000 0.30753233116284 0.50000000000000 39.098 > 12 73 K 0.06313365872650 0.50000000000000 0.42556342523342 39.098 > 7 74 K 0.56313365872650 0.50000000000000 0.42556342523342 39.098 > 7 75 K 0.06313365872650 0.50000000000000 0.92556342523342 39.098 > 7 76 K 0.56313365872650 0.50000000000000 0.92556342523342 39.098 > 7 77 K 0.00000000000000 0.25835032704309 0.25000000000000 39.098 > 8 78 K 0.50000000000000 0.25835032704309 0.25000000000000 39.098 > 8 79 K 0.00000000000000 0.25835032704309 0.75000000000000 39.098 > 8 80 K 0.50000000000000 0.25835032704309 0.75000000000000 39.098 > 8 81 K 0.00000000000000 0.19246766883716 0.00000000000000 39.098 > 9 82 K 0.50000000000000 0.19246766883716 0.00000000000000 39.098 > 9 83 K 0.00000000000000 0.19246766883716 0.50000000000000 39.098 > 9 84 K 0.50000000000000 0.19246766883716 0.50000000000000 39.098 > 9 85 K 0.00000000000000 0.74164967295691 0.25000000000000 39.098 > 10 86 K 0.50000000000000 0.74164967295691 0.25000000000000 39.098 > 10 87 K 0.00000000000000 0.74164967295691 0.75000000000000 39.098 > 10 88 K 0.50000000000000 0.74164967295691 0.75000000000000 39.098 > 10 89 K 0.43686634127350 0.50000000000000 0.07443657476658 39.098 > 11 90 K 0.93686634127350 0.50000000000000 0.07443657476658 39.098 > 11 91 K 0.43686634127350 0.50000000000000 0.57443657476658 39.098 > 11 92 K 0.93686634127350 0.50000000000000 0.57443657476658 39.098 > 11 93 K 0.00000000000000 0.80753233116284 0.00000000000000 39.098 > 12 94 K 0.50000000000000 0.80753233116284 0.00000000000000 39.098 > 12 95 K 0.00000000000000 0.80753233116284 0.50000000000000 39.098 > 12 96 K 0.50000000000000 0.80753233116284 0.50000000000000 39.098 > 12 *97 Ga 0.41475156991612 0.00000000000000 0.17617806227187 69.723 > 13 98 Ga 0.91475156991612 0.00000000000000 0.17617806227187 69.723 > 13 99 Ga 0.41475156991612 0.00000000000000 0.67617806227187 69.723 > 13 100 Ga 0.91475156991612 0.00000000000000 0.67617806227187 69.723 > 13 101 Ga 0.08524843008388 0.00000000000000 0.32382193772813 69.723 > 14 102 Ga 0.58524843008388 0.00000000000000 0.32382193772813 69.723 > 14 103 Ga 0.08524843008388 0.00000000000000 0.82382193772813 69.723 > 14 104 Ga 0.58524843008388 0.00000000000000 0.82382193772813 69.723 > 14 105 Ga 0.16475156991612 0.50000000000000 0.17617806227187 69.723 > 13 106 Ga 0.66475156991612 0.50000000000000 0.17617806227187 69.723 > 13 107 Ga 0.16475156991612 0.50000000000000 0.67617806227187 69.723 > 13 108 Ga 0.66475156991612 0.50000000000000 0.67617806227187 69.723 > 13 109 Ga 0.33524843008388 0.50000000000000 0.32382193772813 69.723 > 14 110 Ga 0.83524843008388 0.50000000000000 0.32382193772813 69.723 > 14 111 Ga 0.33524843008388 0.50000000000000 0.82382193772813 69.723 > 14 112 Ga 0.83524843008388 0.50000000000000 0.82382193772813 69.723 > 14 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9465437 0.0000000 0.1239280 0.0000000 2.9650040 0.0000000 0.1239288 0.0000000 2.9566452 -------------------------- Born effective charges -------------------------- 1 O -1.7356263 -0.2764190 -0.2823656 -0.2428891 -2.0878262 -0.2150538 -0.2650093 -0.2404167 -1.6949125 2 O -2.1071407 0.0000000 -0.0102299 0.0000000 -1.3841262 0.0000000 -0.0857599 0.0000000 -2.1153811 3 O -2.1071407 0.0000000 -0.0102299 0.0000000 -1.3841262 0.0000000 -0.0857599 0.0000000 -2.1153811 4 O -1.7356263 -0.2764190 -0.2823656 -0.2428891 -2.0878262 -0.2150538 -0.2650093 -0.2404167 -1.6949125 5 O -1.7356263 0.2764190 -0.2823656 0.2428891 -2.0878262 0.2150538 -0.2650093 0.2404167 -1.6949125 6 O -1.7356263 0.2764190 -0.2823656 0.2428891 -2.0878262 0.2150538 -0.2650093 0.2404167 -1.6949125 7 K 1.2779502 0.0000000 -0.0312955 0.0000000 0.9798067 0.0000000 -0.0270130 0.0000000 1.1541765 8 K 1.1509211 0.0000000 -0.0434224 0.0000000 1.1572325 0.0000000 -0.0071648 0.0000000 0.9984199 9 K 1.0778717 0.0000000 0.0017005 0.0000000 1.2149741 0.0000000 -0.0298639 0.0000000 1.2403840 10 K 1.1509211 0.0000000 -0.0434224 0.0000000 1.1572325 0.0000000 -0.0071648 0.0000000 0.9984199 11 K 1.2779502 0.0000000 -0.0312955 0.0000000 0.9798067 0.0000000 -0.0270130 0.0000000 1.1541765 12 K 1.0778717 0.0000000 0.0017005 0.0000000 1.2149741 0.0000000 -0.0298639 0.0000000 1.2403840 13 Ga 2.0716504 0.0000000 0.6479784 0.0000000 2.2077651 0.0000000 0.6798202 0.0000000 2.1122257 14 Ga 2.0716504 0.0000000 0.6479784 0.0000000 2.2077651 0.0000000 0.6798202 0.0000000 2.1122257 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 8592/8592 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1930 Number of blocks in projector: 1930 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 472 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 312 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 312 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 278 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 278 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 278 Use standard eigh solver. Tree of FC basis block matrices: - (1930, 1897), data: False |-- (278, 272), data: True |-- (278, 272), data: True |-- (278, 272), data: True |-- (312, 310), data: True |-- (312, 310), data: True |-- (472, 461), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 480 - Time: 3.236 Solver_block: 200 / 480 - Time: 3.236 Solver_block: 300 / 480 - Time: 3.183 Solver_block: 400 / 480 - Time: 3.205 Solver_block: 480 / 480 - Time: 2.577 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 15.716 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 336/336 Permutation basis: 8592/8592 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1930 Number of blocks in projector: 1930 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 472 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 312 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 312 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 278 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 278 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 278 Use standard eigh solver. Tree of FC basis block matrices: - (1930, 1897), data: False |-- (278, 272), data: True |-- (278, 272), data: True |-- (278, 272), data: True |-- (312, 310), data: True |-- (312, 310), data: True |-- (472, 461), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 00:19:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:19:02]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.570436895061054 -5.564818405000000 0.000000000000000 b 3.570436895061054 5.564818405000000 0.000000000000000 c -1.357212574150095 0.000000000000000 6.361828893097329 Atomic positions (fractional): 1 O 0.84419163246386 0.57146916758445 0.23374659468069 15.999 2 O 0.90172694003475 0.90172694003475 0.65591116932195 15.999 3 O 0.09827305996525 0.09827305996525 0.34408883067805 15.999 4 O 0.15580836753614 0.42853083241555 0.76625340531931 15.999 5 O 0.42853083241555 0.15580836753614 0.76625340531931 15.999 6 O 0.57146916758445 0.84419163246386 0.23374659468069 15.999 7 K 0.62626731745301 0.62626731745301 0.85112685046685 39.098 8 K 0.74164967295691 0.25835032704309 0.50000000000000 39.098 9 K 0.80753233116284 0.19246766883716 0.00000000000000 39.098 10 K 0.25835032704309 0.74164967295691 0.50000000000000 39.098 11 K 0.37373268254699 0.37373268254699 0.14887314953315 39.098 12 K 0.19246766883716 0.80753233116284 0.00000000000000 39.098 13 Ga 0.82950313983224 0.82950313983224 0.35235612454374 69.723 14 Ga 0.17049686016776 0.17049686016776 0.64764387545626 69.723 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.281747580244216 0.000000000000000 0.000000000000000 b 0.000000000000000 11.129636810000001 0.000000000000000 c -2.714425148300190 0.000000000000000 12.723657786194657 Atomic positions (fractional): 1 O 0.35391520001208 0.86363876756029 0.11687329734034 15.999 > 1 2 O 0.85391520001208 0.86363876756029 0.11687329734034 15.999 > 1 3 O 0.35391520001208 0.86363876756029 0.61687329734034 15.999 > 1 4 O 0.85391520001208 0.86363876756029 0.61687329734034 15.999 > 1 5 O 0.45086347001737 0.00000000000000 0.32795558466098 15.999 > 5 6 O 0.95086347001737 0.00000000000000 0.32795558466098 15.999 > 5 7 O 0.45086347001737 0.00000000000000 0.82795558466098 15.999 > 5 8 O 0.95086347001737 0.00000000000000 0.82795558466098 15.999 > 5 9 O 0.04913652998263 0.00000000000000 0.17204441533902 15.999 > 9 10 O 0.54913652998263 0.00000000000000 0.17204441533902 15.999 > 9 11 O 0.04913652998263 0.00000000000000 0.67204441533902 15.999 > 9 12 O 0.54913652998263 0.00000000000000 0.67204441533902 15.999 > 9 13 O 0.14608479998792 0.13636123243971 0.38312670265966 15.999 > 13 14 O 0.64608479998792 0.13636123243971 0.38312670265966 15.999 > 13 15 O 0.14608479998792 0.13636123243971 0.88312670265966 15.999 > 13 16 O 0.64608479998792 0.13636123243971 0.88312670265966 15.999 > 13 17 O 0.14608479998792 0.86363876756029 0.38312670265966 15.999 > 17 18 O 0.64608479998792 0.86363876756029 0.38312670265966 15.999 > 17 19 O 0.14608479998792 0.86363876756029 0.88312670265966 15.999 > 17 20 O 0.64608479998792 0.86363876756029 0.88312670265966 15.999 > 17 21 O 0.35391520001208 0.13636123243971 0.11687329734034 15.999 > 21 22 O 0.85391520001208 0.13636123243971 0.11687329734034 15.999 > 21 23 O 0.35391520001208 0.13636123243971 0.61687329734034 15.999 > 21 24 O 0.85391520001208 0.13636123243971 0.61687329734034 15.999 > 21 25 O 0.10391520001208 0.36363876756029 0.11687329734034 15.999 > 1 26 O 0.60391520001208 0.36363876756029 0.11687329734034 15.999 > 1 27 O 0.10391520001208 0.36363876756029 0.61687329734034 15.999 > 1 28 O 0.60391520001208 0.36363876756029 0.61687329734034 15.999 > 1 29 O 0.20086347001737 0.50000000000000 0.32795558466098 15.999 > 5 30 O 0.70086347001737 0.50000000000000 0.32795558466098 15.999 > 5 31 O 0.20086347001737 0.50000000000000 0.82795558466098 15.999 > 5 32 O 0.70086347001737 0.50000000000000 0.82795558466098 15.999 > 5 33 O 0.29913652998263 0.50000000000000 0.17204441533902 15.999 > 9 34 O 0.79913652998263 0.50000000000000 0.17204441533902 15.999 > 9 35 O 0.29913652998263 0.50000000000000 0.67204441533902 15.999 > 9 36 O 0.79913652998263 0.50000000000000 0.67204441533902 15.999 > 9 37 O 0.39608479998792 0.63636123243971 0.38312670265966 15.999 > 13 38 O 0.89608479998792 0.63636123243971 0.38312670265966 15.999 > 13 39 O 0.39608479998792 0.63636123243971 0.88312670265966 15.999 > 13 40 O 0.89608479998792 0.63636123243971 0.88312670265966 15.999 > 13 41 O 0.39608479998792 0.36363876756029 0.38312670265966 15.999 > 17 42 O 0.89608479998792 0.36363876756029 0.38312670265966 15.999 > 17 43 O 0.39608479998792 0.36363876756029 0.88312670265966 15.999 > 17 44 O 0.89608479998792 0.36363876756029 0.88312670265966 15.999 > 17 45 O 0.10391520001208 0.63636123243971 0.11687329734034 15.999 > 21 46 O 0.60391520001208 0.63636123243971 0.11687329734034 15.999 > 21 47 O 0.10391520001208 0.63636123243971 0.61687329734034 15.999 > 21 48 O 0.60391520001208 0.63636123243971 0.61687329734034 15.999 > 21 49 K 0.31313365872650 0.00000000000000 0.42556342523342 39.098 > 49 50 K 0.81313365872650 0.00000000000000 0.42556342523342 39.098 > 49 51 K 0.31313365872650 0.00000000000000 0.92556342523342 39.098 > 49 52 K 0.81313365872650 0.00000000000000 0.92556342523342 39.098 > 49 53 K 0.25000000000000 0.75835032704309 0.25000000000000 39.098 > 53 54 K 0.75000000000000 0.75835032704309 0.25000000000000 39.098 > 53 55 K 0.25000000000000 0.75835032704309 0.75000000000000 39.098 > 53 56 K 0.75000000000000 0.75835032704309 0.75000000000000 39.098 > 53 57 K 0.25000000000000 0.69246766883716 0.00000000000000 39.098 > 57 58 K 0.75000000000000 0.69246766883716 0.00000000000000 39.098 > 57 59 K 0.25000000000000 0.69246766883716 0.50000000000000 39.098 > 57 60 K 0.75000000000000 0.69246766883716 0.50000000000000 39.098 > 57 61 K 0.25000000000000 0.24164967295692 0.25000000000000 39.098 > 61 62 K 0.75000000000000 0.24164967295692 0.25000000000000 39.098 > 61 63 K 0.25000000000000 0.24164967295692 0.75000000000000 39.098 > 61 64 K 0.75000000000000 0.24164967295692 0.75000000000000 39.098 > 61 65 K 0.18686634127350 0.00000000000000 0.07443657476658 39.098 > 65 66 K 0.68686634127350 0.00000000000000 0.07443657476658 39.098 > 65 67 K 0.18686634127350 0.00000000000000 0.57443657476658 39.098 > 65 68 K 0.68686634127350 0.00000000000000 0.57443657476658 39.098 > 65 69 K 0.25000000000000 0.30753233116284 0.00000000000000 39.098 > 69 70 K 0.75000000000000 0.30753233116284 0.00000000000000 39.098 > 69 71 K 0.25000000000000 0.30753233116284 0.50000000000000 39.098 > 69 72 K 0.75000000000000 0.30753233116284 0.50000000000000 39.098 > 69 73 K 0.06313365872650 0.50000000000000 0.42556342523342 39.098 > 49 74 K 0.56313365872650 0.50000000000000 0.42556342523342 39.098 > 49 75 K 0.06313365872650 0.50000000000000 0.92556342523342 39.098 > 49 76 K 0.56313365872650 0.50000000000000 0.92556342523342 39.098 > 49 77 K 0.00000000000000 0.25835032704309 0.25000000000000 39.098 > 53 78 K 0.50000000000000 0.25835032704309 0.25000000000000 39.098 > 53 79 K 0.00000000000000 0.25835032704309 0.75000000000000 39.098 > 53 80 K 0.50000000000000 0.25835032704309 0.75000000000000 39.098 > 53 81 K 0.00000000000000 0.19246766883716 0.00000000000000 39.098 > 57 82 K 0.50000000000000 0.19246766883716 0.00000000000000 39.098 > 57 83 K 0.00000000000000 0.19246766883716 0.50000000000000 39.098 > 57 84 K 0.50000000000000 0.19246766883716 0.50000000000000 39.098 > 57 85 K 0.00000000000000 0.74164967295691 0.25000000000000 39.098 > 61 86 K 0.50000000000000 0.74164967295691 0.25000000000000 39.098 > 61 87 K 0.00000000000000 0.74164967295691 0.75000000000000 39.098 > 61 88 K 0.50000000000000 0.74164967295691 0.75000000000000 39.098 > 61 89 K 0.43686634127350 0.50000000000000 0.07443657476658 39.098 > 65 90 K 0.93686634127350 0.50000000000000 0.07443657476658 39.098 > 65 91 K 0.43686634127350 0.50000000000000 0.57443657476658 39.098 > 65 92 K 0.93686634127350 0.50000000000000 0.57443657476658 39.098 > 65 93 K 0.00000000000000 0.80753233116284 0.00000000000000 39.098 > 69 94 K 0.50000000000000 0.80753233116284 0.00000000000000 39.098 > 69 95 K 0.00000000000000 0.80753233116284 0.50000000000000 39.098 > 69 96 K 0.50000000000000 0.80753233116284 0.50000000000000 39.098 > 69 97 Ga 0.41475156991612 0.00000000000000 0.17617806227187 69.723 > 97 98 Ga 0.91475156991612 0.00000000000000 0.17617806227187 69.723 > 97 99 Ga 0.41475156991612 0.00000000000000 0.67617806227187 69.723 > 97 100 Ga 0.91475156991612 0.00000000000000 0.67617806227187 69.723 > 97 101 Ga 0.08524843008388 0.00000000000000 0.32382193772813 69.723 > 101 102 Ga 0.58524843008388 0.00000000000000 0.32382193772813 69.723 > 101 103 Ga 0.08524843008388 0.00000000000000 0.82382193772813 69.723 > 101 104 Ga 0.58524843008388 0.00000000000000 0.82382193772813 69.723 > 101 105 Ga 0.16475156991612 0.50000000000000 0.17617806227187 69.723 > 97 106 Ga 0.66475156991612 0.50000000000000 0.17617806227187 69.723 > 97 107 Ga 0.16475156991612 0.50000000000000 0.67617806227187 69.723 > 97 108 Ga 0.66475156991612 0.50000000000000 0.67617806227187 69.723 > 97 109 Ga 0.33524843008388 0.50000000000000 0.32382193772813 69.723 > 101 110 Ga 0.83524843008388 0.50000000000000 0.32382193772813 69.723 > 101 111 Ga 0.33524843008388 0.50000000000000 0.82382193772813 69.723 > 101 112 Ga 0.83524843008388 0.50000000000000 0.82382193772813 69.723 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9465437 0.0000000 0.1239280 0.0000000 2.9650040 0.0000000 0.1239288 0.0000000 2.9566452 -------------------------- Born effective charges -------------------------- 1 O -1.7356263 -0.2764190 -0.2823656 -0.2428891 -2.0878262 -0.2150538 -0.2650093 -0.2404167 -1.6949125 2 O -2.1071407 0.0000000 -0.0102299 0.0000000 -1.3841262 0.0000000 -0.0857599 0.0000000 -2.1153811 3 O -2.1071407 0.0000000 -0.0102299 0.0000000 -1.3841262 0.0000000 -0.0857599 0.0000000 -2.1153811 4 O -1.7356263 -0.2764190 -0.2823656 -0.2428891 -2.0878262 -0.2150538 -0.2650093 -0.2404167 -1.6949125 5 O -1.7356263 0.2764190 -0.2823656 0.2428891 -2.0878262 0.2150538 -0.2650093 0.2404167 -1.6949125 6 O -1.7356263 0.2764190 -0.2823656 0.2428891 -2.0878262 0.2150538 -0.2650093 0.2404167 -1.6949125 7 K 1.2779502 0.0000000 -0.0312955 0.0000000 0.9798067 0.0000000 -0.0270130 0.0000000 1.1541765 8 K 1.1509211 0.0000000 -0.0434224 0.0000000 1.1572325 0.0000000 -0.0071648 0.0000000 0.9984199 9 K 1.0778717 0.0000000 0.0017005 0.0000000 1.2149741 0.0000000 -0.0298639 0.0000000 1.2403840 10 K 1.1509211 0.0000000 -0.0434224 0.0000000 1.1572325 0.0000000 -0.0071648 0.0000000 0.9984199 11 K 1.2779502 0.0000000 -0.0312955 0.0000000 0.9798067 0.0000000 -0.0270130 0.0000000 1.1541765 12 K 1.0778717 0.0000000 0.0017005 0.0000000 1.2149741 0.0000000 -0.0298639 0.0000000 1.2403840 13 Ga 2.0716504 0.0000000 0.6479784 0.0000000 2.2077651 0.0000000 0.6798202 0.0000000 2.1122257 14 Ga 2.0716504 0.0000000 0.6479784 0.0000000 2.2077651 0.0000000 0.6798202 0.0000000 2.1122257 ---------------------------------------------------------------------------- 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 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0021 0.0000 0.0098] [ 0.0021 0.0000 -0.0098] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0021 0.0000 0.0098] [ 0.0021 0.0000 -0.0098] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0021 0.0000 0.0098] [ 0.0021 0.0000 -0.0098] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0021 0.0000 0.0098] [ 0.0021 0.0000 -0.0098] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0021 0.0000 0.0098] [ 0.0021 0.0000 -0.0098] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0021 0.0000 0.0098] [ 0.0021 0.0000 -0.0098] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000002 (yxy) -0.00000002 (yxy) -0.00000002 (yyx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (xz) 0.00000001 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:19:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:19:25]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.570436895061054 -5.564818405000000 0.000000000000000 b 3.570436895061054 5.564818405000000 0.000000000000000 c -1.357212574150095 0.000000000000000 6.361828893097329 Atomic positions (fractional): 1 O 0.84419163246386 0.57146916758445 0.23374659468069 15.999 2 O 0.90172694003475 0.90172694003475 0.65591116932195 15.999 3 O 0.09827305996525 0.09827305996525 0.34408883067805 15.999 4 O 0.15580836753614 0.42853083241555 0.76625340531931 15.999 5 O 0.42853083241555 0.15580836753614 0.76625340531931 15.999 6 O 0.57146916758445 0.84419163246386 0.23374659468069 15.999 7 K 0.62626731745301 0.62626731745301 0.85112685046685 39.098 8 K 0.74164967295691 0.25835032704309 0.50000000000000 39.098 9 K 0.80753233116284 0.19246766883716 0.00000000000000 39.098 10 K 0.25835032704309 0.74164967295691 0.50000000000000 39.098 11 K 0.37373268254699 0.37373268254699 0.14887314953315 39.098 12 K 0.19246766883716 0.80753233116284 0.00000000000000 39.098 13 Ga 0.82950313983224 0.82950313983224 0.35235612454374 69.723 14 Ga 0.17049686016776 0.17049686016776 0.64764387545626 69.723 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.281747580244216 0.000000000000000 0.000000000000000 b 0.000000000000000 11.129636810000001 0.000000000000000 c -2.714425148300190 0.000000000000000 12.723657786194657 Atomic positions (fractional): 1 O 0.35391520001208 0.86363876756029 0.11687329734034 15.999 > 1 2 O 0.85391520001208 0.86363876756029 0.11687329734034 15.999 > 1 3 O 0.35391520001208 0.86363876756029 0.61687329734034 15.999 > 1 4 O 0.85391520001208 0.86363876756029 0.61687329734034 15.999 > 1 5 O 0.45086347001737 0.00000000000000 0.32795558466098 15.999 > 5 6 O 0.95086347001737 0.00000000000000 0.32795558466098 15.999 > 5 7 O 0.45086347001737 0.00000000000000 0.82795558466098 15.999 > 5 8 O 0.95086347001737 0.00000000000000 0.82795558466098 15.999 > 5 9 O 0.04913652998263 0.00000000000000 0.17204441533902 15.999 > 9 10 O 0.54913652998263 0.00000000000000 0.17204441533902 15.999 > 9 11 O 0.04913652998263 0.00000000000000 0.67204441533902 15.999 > 9 12 O 0.54913652998263 0.00000000000000 0.67204441533902 15.999 > 9 13 O 0.14608479998792 0.13636123243971 0.38312670265966 15.999 > 13 14 O 0.64608479998792 0.13636123243971 0.38312670265966 15.999 > 13 15 O 0.14608479998792 0.13636123243971 0.88312670265966 15.999 > 13 16 O 0.64608479998792 0.13636123243971 0.88312670265966 15.999 > 13 17 O 0.14608479998792 0.86363876756029 0.38312670265966 15.999 > 17 18 O 0.64608479998792 0.86363876756029 0.38312670265966 15.999 > 17 19 O 0.14608479998792 0.86363876756029 0.88312670265966 15.999 > 17 20 O 0.64608479998792 0.86363876756029 0.88312670265966 15.999 > 17 21 O 0.35391520001208 0.13636123243971 0.11687329734034 15.999 > 21 22 O 0.85391520001208 0.13636123243971 0.11687329734034 15.999 > 21 23 O 0.35391520001208 0.13636123243971 0.61687329734034 15.999 > 21 24 O 0.85391520001208 0.13636123243971 0.61687329734034 15.999 > 21 25 O 0.10391520001208 0.36363876756029 0.11687329734034 15.999 > 1 26 O 0.60391520001208 0.36363876756029 0.11687329734034 15.999 > 1 27 O 0.10391520001208 0.36363876756029 0.61687329734034 15.999 > 1 28 O 0.60391520001208 0.36363876756029 0.61687329734034 15.999 > 1 29 O 0.20086347001737 0.50000000000000 0.32795558466098 15.999 > 5 30 O 0.70086347001737 0.50000000000000 0.32795558466098 15.999 > 5 31 O 0.20086347001737 0.50000000000000 0.82795558466098 15.999 > 5 32 O 0.70086347001737 0.50000000000000 0.82795558466098 15.999 > 5 33 O 0.29913652998263 0.50000000000000 0.17204441533902 15.999 > 9 34 O 0.79913652998263 0.50000000000000 0.17204441533902 15.999 > 9 35 O 0.29913652998263 0.50000000000000 0.67204441533902 15.999 > 9 36 O 0.79913652998263 0.50000000000000 0.67204441533902 15.999 > 9 37 O 0.39608479998792 0.63636123243971 0.38312670265966 15.999 > 13 38 O 0.89608479998792 0.63636123243971 0.38312670265966 15.999 > 13 39 O 0.39608479998792 0.63636123243971 0.88312670265966 15.999 > 13 40 O 0.89608479998792 0.63636123243971 0.88312670265966 15.999 > 13 41 O 0.39608479998792 0.36363876756029 0.38312670265966 15.999 > 17 42 O 0.89608479998792 0.36363876756029 0.38312670265966 15.999 > 17 43 O 0.39608479998792 0.36363876756029 0.88312670265966 15.999 > 17 44 O 0.89608479998792 0.36363876756029 0.88312670265966 15.999 > 17 45 O 0.10391520001208 0.63636123243971 0.11687329734034 15.999 > 21 46 O 0.60391520001208 0.63636123243971 0.11687329734034 15.999 > 21 47 O 0.10391520001208 0.63636123243971 0.61687329734034 15.999 > 21 48 O 0.60391520001208 0.63636123243971 0.61687329734034 15.999 > 21 49 K 0.31313365872650 0.00000000000000 0.42556342523342 39.098 > 49 50 K 0.81313365872650 0.00000000000000 0.42556342523342 39.098 > 49 51 K 0.31313365872650 0.00000000000000 0.92556342523342 39.098 > 49 52 K 0.81313365872650 0.00000000000000 0.92556342523342 39.098 > 49 53 K 0.25000000000000 0.75835032704309 0.25000000000000 39.098 > 53 54 K 0.75000000000000 0.75835032704309 0.25000000000000 39.098 > 53 55 K 0.25000000000000 0.75835032704309 0.75000000000000 39.098 > 53 56 K 0.75000000000000 0.75835032704309 0.75000000000000 39.098 > 53 57 K 0.25000000000000 0.69246766883716 0.00000000000000 39.098 > 57 58 K 0.75000000000000 0.69246766883716 0.00000000000000 39.098 > 57 59 K 0.25000000000000 0.69246766883716 0.50000000000000 39.098 > 57 60 K 0.75000000000000 0.69246766883716 0.50000000000000 39.098 > 57 61 K 0.25000000000000 0.24164967295692 0.25000000000000 39.098 > 61 62 K 0.75000000000000 0.24164967295692 0.25000000000000 39.098 > 61 63 K 0.25000000000000 0.24164967295692 0.75000000000000 39.098 > 61 64 K 0.75000000000000 0.24164967295692 0.75000000000000 39.098 > 61 65 K 0.18686634127350 0.00000000000000 0.07443657476658 39.098 > 65 66 K 0.68686634127350 0.00000000000000 0.07443657476658 39.098 > 65 67 K 0.18686634127350 0.00000000000000 0.57443657476658 39.098 > 65 68 K 0.68686634127350 0.00000000000000 0.57443657476658 39.098 > 65 69 K 0.25000000000000 0.30753233116284 0.00000000000000 39.098 > 69 70 K 0.75000000000000 0.30753233116284 0.00000000000000 39.098 > 69 71 K 0.25000000000000 0.30753233116284 0.50000000000000 39.098 > 69 72 K 0.75000000000000 0.30753233116284 0.50000000000000 39.098 > 69 73 K 0.06313365872650 0.50000000000000 0.42556342523342 39.098 > 49 74 K 0.56313365872650 0.50000000000000 0.42556342523342 39.098 > 49 75 K 0.06313365872650 0.50000000000000 0.92556342523342 39.098 > 49 76 K 0.56313365872650 0.50000000000000 0.92556342523342 39.098 > 49 77 K 0.00000000000000 0.25835032704309 0.25000000000000 39.098 > 53 78 K 0.50000000000000 0.25835032704309 0.25000000000000 39.098 > 53 79 K 0.00000000000000 0.25835032704309 0.75000000000000 39.098 > 53 80 K 0.50000000000000 0.25835032704309 0.75000000000000 39.098 > 53 81 K 0.00000000000000 0.19246766883716 0.00000000000000 39.098 > 57 82 K 0.50000000000000 0.19246766883716 0.00000000000000 39.098 > 57 83 K 0.00000000000000 0.19246766883716 0.50000000000000 39.098 > 57 84 K 0.50000000000000 0.19246766883716 0.50000000000000 39.098 > 57 85 K 0.00000000000000 0.74164967295691 0.25000000000000 39.098 > 61 86 K 0.50000000000000 0.74164967295691 0.25000000000000 39.098 > 61 87 K 0.00000000000000 0.74164967295691 0.75000000000000 39.098 > 61 88 K 0.50000000000000 0.74164967295691 0.75000000000000 39.098 > 61 89 K 0.43686634127350 0.50000000000000 0.07443657476658 39.098 > 65 90 K 0.93686634127350 0.50000000000000 0.07443657476658 39.098 > 65 91 K 0.43686634127350 0.50000000000000 0.57443657476658 39.098 > 65 92 K 0.93686634127350 0.50000000000000 0.57443657476658 39.098 > 65 93 K 0.00000000000000 0.80753233116284 0.00000000000000 39.098 > 69 94 K 0.50000000000000 0.80753233116284 0.00000000000000 39.098 > 69 95 K 0.00000000000000 0.80753233116284 0.50000000000000 39.098 > 69 96 K 0.50000000000000 0.80753233116284 0.50000000000000 39.098 > 69 97 Ga 0.41475156991612 0.00000000000000 0.17617806227187 69.723 > 97 98 Ga 0.91475156991612 0.00000000000000 0.17617806227187 69.723 > 97 99 Ga 0.41475156991612 0.00000000000000 0.67617806227187 69.723 > 97 100 Ga 0.91475156991612 0.00000000000000 0.67617806227187 69.723 > 97 101 Ga 0.08524843008388 0.00000000000000 0.32382193772813 69.723 > 101 102 Ga 0.58524843008388 0.00000000000000 0.32382193772813 69.723 > 101 103 Ga 0.08524843008388 0.00000000000000 0.82382193772813 69.723 > 101 104 Ga 0.58524843008388 0.00000000000000 0.82382193772813 69.723 > 101 105 Ga 0.16475156991612 0.50000000000000 0.17617806227187 69.723 > 97 106 Ga 0.66475156991612 0.50000000000000 0.17617806227187 69.723 > 97 107 Ga 0.16475156991612 0.50000000000000 0.67617806227187 69.723 > 97 108 Ga 0.66475156991612 0.50000000000000 0.67617806227187 69.723 > 97 109 Ga 0.33524843008388 0.50000000000000 0.32382193772813 69.723 > 101 110 Ga 0.83524843008388 0.50000000000000 0.32382193772813 69.723 > 101 111 Ga 0.33524843008388 0.50000000000000 0.82382193772813 69.723 > 101 112 Ga 0.83524843008388 0.50000000000000 0.82382193772813 69.723 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.9465437 0.0000000 0.1239280 0.0000000 2.9650040 0.0000000 0.1239288 0.0000000 2.9566452 -------------------------- Born effective charges -------------------------- 1 O -1.7356263 -0.2764190 -0.2823656 -0.2428891 -2.0878262 -0.2150538 -0.2650093 -0.2404167 -1.6949125 2 O -2.1071407 0.0000000 -0.0102299 0.0000000 -1.3841262 0.0000000 -0.0857599 0.0000000 -2.1153811 3 O -2.1071407 0.0000000 -0.0102299 0.0000000 -1.3841262 0.0000000 -0.0857599 0.0000000 -2.1153811 4 O -1.7356263 -0.2764190 -0.2823656 -0.2428891 -2.0878262 -0.2150538 -0.2650093 -0.2404167 -1.6949125 5 O -1.7356263 0.2764190 -0.2823656 0.2428891 -2.0878262 0.2150538 -0.2650093 0.2404167 -1.6949125 6 O -1.7356263 0.2764190 -0.2823656 0.2428891 -2.0878262 0.2150538 -0.2650093 0.2404167 -1.6949125 7 K 1.2779502 0.0000000 -0.0312955 0.0000000 0.9798067 0.0000000 -0.0270130 0.0000000 1.1541765 8 K 1.1509211 0.0000000 -0.0434224 0.0000000 1.1572325 0.0000000 -0.0071648 0.0000000 0.9984199 9 K 1.0778717 0.0000000 0.0017005 0.0000000 1.2149741 0.0000000 -0.0298639 0.0000000 1.2403840 10 K 1.1509211 0.0000000 -0.0434224 0.0000000 1.1572325 0.0000000 -0.0071648 0.0000000 0.9984199 11 K 1.2779502 0.0000000 -0.0312955 0.0000000 0.9798067 0.0000000 -0.0270130 0.0000000 1.1541765 12 K 1.0778717 0.0000000 0.0017005 0.0000000 1.2149741 0.0000000 -0.0298639 0.0000000 1.2403840 13 Ga 2.0716504 0.0000000 0.6479784 0.0000000 2.2077651 0.0000000 0.6798202 0.0000000 2.1122257 14 Ga 2.0716504 0.0000000 0.6479784 0.0000000 2.2077651 0.0000000 0.6798202 0.0000000 2.1122257 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (yxy) -0.00000002 (yxy) -0.00000002 (yyx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- 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 ... [ 8 8 8 ] 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: 0.66, Number of G-points: 303, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/150) ======================= 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 150 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 1.978 ( 0.000 0.000 0.000) 0.000 2.318 ( 0.000 0.000 0.000) 0.000 2.467 ( 0.000 0.000 0.000) 0.000 2.791 ( 0.000 0.000 0.000) 0.000 2.867 ( 0.000 0.000 0.000) 0.000 3.000 ( 0.000 0.000 0.000) 0.000 3.039 ( 0.000 0.000 0.000) 0.000 3.355 ( 0.000 0.000 0.000) 0.000 3.576 ( 0.000 0.000 0.000) 0.000 3.641 ( 0.000 0.000 0.000) 0.000 3.703 ( 0.000 0.000 0.000) 0.000 3.796 ( 0.000 0.000 0.000) 0.000 4.258 ( 0.000 0.000 0.000) 0.000 4.433 ( 0.000 0.000 0.000) 0.000 4.527 ( 0.000 0.000 0.000) 0.000 4.846 ( 0.000 0.000 0.000) 0.000 5.169 ( 0.000 0.000 0.000) 0.000 5.321 ( 0.000 0.000 0.000) 0.000 5.483 ( 0.000 0.000 0.000) 0.000 5.791 ( 0.000 0.000 0.000) 0.000 6.120 ( 0.000 0.000 0.000) 0.000 6.289 ( 0.000 0.000 0.000) 0.000 6.486 ( 0.000 0.000 0.000) 0.000 6.729 ( 0.000 0.000 0.000) 0.000 7.235 ( 0.000 0.000 0.000) 0.000 7.449 ( 0.000 0.000 0.000) 0.000 7.786 ( 0.000 0.000 0.000) 0.000 7.931 ( 0.000 0.000 0.000) 0.000 8.327 ( 0.000 0.000 0.000) 0.000 9.471 ( 0.000 0.000 0.000) 0.000 10.134 ( 0.000 0.000 0.000) 0.000 12.861 ( 0.000 0.000 0.000) 0.000 13.909 ( 0.000 0.000 0.000) 0.000 14.691 ( 0.000 0.000 0.000) 0.000 16.934 ( 0.000 0.000 0.000) 0.000 17.247 ( 0.000 0.000 0.000) 0.000 17.458 ( 0.000 0.000 0.000) 0.000 17.956 ( 0.000 0.000 0.000) 0.000 18.673 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/150) ======================= q-point: ( 0.12 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.559 ( 21.673 -13.737 6.133) 26.383 0.615 ( 25.923 -13.984 -2.595) 29.568 1.046 ( 45.228 -15.376 14.176) 49.829 1.992 ( 0.546 -2.328 -1.584) 2.868 2.350 ( 6.975 4.138 -1.049) 8.178 2.540 ( 4.293 -2.125 0.256) 4.797 2.779 ( -2.326 -1.876 -3.207) 4.384 2.975 ( -5.570 -7.404 -1.730) 9.426 3.056 ( -4.483 -9.136 -8.558) 13.296 3.109 ( 3.619 -0.926 -0.488) 3.767 3.313 ( -0.261 4.481 1.083) 4.617 3.571 ( -3.430 -6.571 -3.707) 8.287 3.688 ( 2.409 -0.481 4.266) 4.923 3.760 ( -3.424 -1.914 -1.582) 4.229 4.116 ( 11.650 4.466 -0.776) 12.501 4.236 ( -1.660 4.014 5.729) 7.190 4.400 ( -8.591 -3.523 7.610) 12.005 4.476 ( -4.017 3.296 -4.279) 6.731 4.831 ( -3.801 -2.766 -3.241) 5.710 5.148 ( -1.417 1.824 0.418) 2.347 5.320 ( -4.512 2.130 1.916) 5.345 5.420 ( -5.190 0.689 -0.067) 5.236 5.908 ( 0.489 8.920 -6.391) 10.984 6.152 ( -3.615 -1.409 -0.131) 3.882 6.411 ( -14.113 -17.152 -15.913) 27.324 6.532 ( -0.839 -1.754 13.833) 13.969 6.786 ( 4.821 -1.112 -1.262) 5.106 7.264 ( 2.493 0.622 3.578) 4.405 7.520 ( 5.976 -1.675 2.797) 6.807 7.698 ( -7.353 1.328 -1.220) 7.571 8.022 ( 7.345 0.987 -10.209) 12.615 9.110 ( 22.059 36.324 18.063) 46.177 9.959 ( -17.354 -17.721 5.605) 25.428 10.125 ( -2.505 -3.388 -5.548) 6.966 12.852 ( -0.485 0.653 -0.099) 0.819 13.916 ( -2.652 1.138 10.078) 10.483 15.779 ( 42.107 64.043 5.659) 76.854 16.946 ( 0.554 -0.608 1.279) 1.521 17.266 ( 1.839 -0.188 0.424) 1.896 17.802 ( -9.424 -21.516 -9.791) 25.449 18.560 ( -17.031 -12.449 7.753) 22.475 18.741 ( -8.917 -13.440 13.997) 21.356 ======================= Grid point 2 (3/150) ======================= q-point: ( 0.25 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( 18.973 -13.955 8.634) 25.085 1.189 ( 24.733 -10.822 -3.529) 27.227 1.945 ( 23.958 -6.424 9.058) 26.406 2.074 ( 12.162 -9.153 0.783) 15.242 2.456 ( 9.318 4.091 -1.195) 10.246 2.626 ( 6.481 1.881 0.018) 6.748 2.726 ( -2.197 -1.158 -6.183) 6.664 2.961 ( -3.326 -6.422 -5.264) 8.945 3.022 ( 0.974 1.384 -7.562) 7.749 3.181 ( 2.380 2.177 6.492) 7.249 3.313 ( 3.486 1.164 3.030) 4.763 3.577 ( -1.621 2.354 4.151) 5.040 3.661 ( -4.366 -2.256 -2.550) 5.537 3.832 ( 3.545 -7.494 -1.414) 8.410 4.099 ( -6.178 4.317 0.917) 7.593 4.203 ( -3.852 0.798 1.655) 4.268 4.353 ( -0.941 1.765 0.528) 2.068 4.421 ( 6.560 1.651 -0.518) 6.785 4.720 ( -8.435 1.367 -2.928) 9.033 5.093 ( -2.250 1.426 2.175) 3.439 5.194 ( -5.549 1.575 -5.588) 8.032 5.348 ( -4.893 -3.214 1.457) 6.032 5.732 ( -10.463 2.495 -4.068) 11.500 6.127 ( -2.054 -2.288 1.920) 3.625 6.256 ( -11.717 -3.712 -7.459) 14.377 6.582 ( 1.484 1.095 7.991) 8.202 6.866 ( 3.268 0.106 -2.134) 3.904 7.312 ( 1.756 1.581 5.042) 5.568 7.538 ( -7.687 0.977 0.379) 7.758 7.688 ( 6.771 -3.960 5.254) 9.441 8.107 ( 7.345 1.471 -8.015) 10.971 9.191 ( 13.915 15.446 13.475) 24.775 9.862 ( -9.716 -6.070 -0.731) 11.480 10.067 ( -5.847 -2.907 -5.673) 8.650 12.833 ( -0.595 0.867 -0.008) 1.051 13.886 ( -2.280 1.271 5.166) 5.788 15.830 ( 20.026 26.233 0.753) 33.012 16.971 ( 0.625 -0.773 1.843) 2.094 17.309 ( 2.388 -0.169 0.522) 2.450 17.862 ( -1.857 -11.163 -3.688) 11.902 18.420 ( -10.701 -3.240 1.564) 11.289 18.769 ( -4.100 -5.222 6.227) 9.102 ======================= Grid point 3 (4/150) ======================= q-point: ( 0.38 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( 14.136 -10.994 10.498) 20.758 1.689 ( 21.442 -8.260 -3.683) 23.271 2.057 ( -1.947 -4.522 -2.854) 5.691 2.314 ( -1.161 6.597 -5.647) 8.761 2.464 ( -3.080 4.346 2.060) 5.711 2.769 ( 10.307 0.100 -4.473) 11.236 2.956 ( 7.558 -1.854 4.104) 8.798 2.975 ( 5.742 -4.024 -0.252) 7.016 3.045 ( 9.481 -0.777 -2.564) 9.853 3.244 ( 4.648 -4.420 6.199) 8.920 3.388 ( 3.301 1.148 4.772) 5.915 3.462 ( -4.154 5.383 -0.795) 6.846 3.641 ( -1.183 -1.803 0.275) 2.174 3.805 ( -6.158 -0.292 -1.689) 6.392 4.107 ( -0.385 -5.275 -2.427) 5.819 4.126 ( -3.887 -0.445 1.106) 4.066 4.243 ( -2.351 5.500 -3.521) 6.941 4.527 ( -1.682 4.180 -0.460) 4.529 4.592 ( 4.057 -0.722 1.766) 4.483 5.030 ( -9.043 -1.409 -4.694) 10.286 5.103 ( 1.622 1.556 3.282) 3.978 5.285 ( -7.117 -1.737 -0.983) 7.391 5.542 ( -5.751 -1.524 -0.866) 6.012 6.046 ( -9.114 3.145 -3.975) 10.428 6.134 ( -1.003 -2.023 1.299) 2.605 6.632 ( 3.263 0.808 4.030) 5.248 6.861 ( -1.311 1.770 -3.532) 4.162 7.311 ( -1.625 0.768 3.382) 3.830 7.449 ( -2.172 0.020 1.345) 2.555 7.857 ( 4.309 -3.856 5.736) 8.144 8.168 ( 4.650 2.022 -6.820) 8.498 9.354 ( 12.567 6.807 15.388) 21.001 9.749 ( -6.650 -2.446 -10.753) 12.877 9.959 ( -7.164 -2.000 -1.318) 7.554 12.816 ( -0.357 0.576 0.086) 0.683 13.853 ( -1.523 0.882 2.434) 3.003 15.885 ( 9.482 10.767 -0.285) 14.350 16.994 ( 0.338 -0.509 1.350) 1.482 17.348 ( 1.528 -0.028 0.301) 1.558 17.953 ( 1.414 -6.786 -1.278) 7.048 18.280 ( -6.910 0.606 0.113) 6.938 18.769 ( -2.164 -2.025 2.505) 3.881 ======================= Grid point 4 (5/150) ======================= q-point: (-0.50 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( 0.000 -0.000 0.000) 0.000 1.993 ( -0.000 -0.000 -0.000) 0.000 2.051 ( -0.000 0.000 -0.000) 0.000 2.120 ( 0.000 -0.000 -0.000) 0.000 2.385 ( 0.000 -0.000 0.000) 0.000 2.916 ( 0.000 -0.000 0.000) 0.000 2.978 ( 0.000 0.000 -0.000) 0.000 2.986 ( 0.000 -0.000 -0.000) 0.000 3.142 ( 0.000 -0.000 -0.000) 0.000 3.375 ( 0.000 -0.000 0.000) 0.000 3.417 ( 0.000 -0.000 0.000) 0.000 3.456 ( 0.000 -0.000 -0.000) 0.000 3.625 ( 0.000 -0.000 0.000) 0.000 3.911 ( -0.000 0.000 -0.000) 0.000 3.919 ( 0.000 -0.000 0.000) 0.000 4.092 ( 0.000 -0.000 0.000) 0.000 4.237 ( 0.000 -0.000 -0.000) 0.000 4.478 ( 0.000 -0.000 -0.000) 0.000 4.657 ( -0.000 -0.000 -0.000) 0.000 4.902 ( 0.000 -0.000 -0.000) 0.000 5.171 ( 0.000 0.000 0.000) 0.000 5.171 ( -0.000 -0.000 -0.000) 0.000 5.533 ( 0.000 -0.000 0.000) 0.000 5.913 ( 0.000 -0.000 0.000) 0.000 6.140 ( 0.000 -0.000 -0.000) 0.000 6.686 ( 0.000 -0.000 -0.000) 0.000 6.805 ( 0.000 -0.000 -0.000) 0.000 7.296 ( 0.000 -0.000 -0.000) 0.000 7.438 ( 0.000 -0.000 -0.000) 0.000 7.935 ( 0.000 -0.000 -0.000) 0.000 8.180 ( 0.000 -0.000 0.000) 0.000 9.537 ( 0.000 -0.000 0.000) 0.000 9.611 ( -0.000 -0.000 -0.000) 0.000 9.898 ( 0.000 -0.000 -0.000) 0.000 12.809 ( 0.000 -0.000 0.000) 0.000 13.838 ( 0.000 -0.000 -0.000) 0.000 15.908 ( 0.000 -0.000 -0.000) 0.000 17.002 ( 0.000 -0.000 -0.000) 0.000 17.362 ( 0.000 -0.000 0.000) 0.000 18.019 ( -0.000 -0.000 -0.000) 0.000 18.200 ( 0.000 -0.000 0.000) 0.000 18.765 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 10 (6/150) ======================= q-point: ( 0.12 0.12 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( 22.149 0.000 15.944) 27.291 1.078 ( 29.581 0.000 -3.175) 29.751 1.860 ( 45.262 0.000 12.457) 46.945 1.975 ( 0.452 0.000 -2.540) 2.580 2.499 ( 7.405 0.000 0.049) 7.405 2.619 ( -6.406 -0.000 -5.417) 8.389 2.687 ( 11.177 0.000 -0.693) 11.198 2.874 ( 1.635 0.000 -6.707) 6.904 3.048 ( 3.688 0.000 -10.326) 10.965 3.232 ( 3.039 0.000 14.109) 14.433 3.384 ( -6.002 -0.000 -6.632) 8.945 3.449 ( 6.806 0.000 1.146) 6.902 3.709 ( -0.040 -0.000 -1.402) 1.403 3.755 ( 1.520 0.000 3.981) 4.261 4.135 ( -14.133 -0.000 3.806) 14.636 4.202 ( -7.538 -0.000 6.754) 10.121 4.395 ( 12.902 0.000 -2.984) 13.242 4.469 ( 0.079 0.000 -2.809) 2.810 4.717 ( -5.574 -0.000 -5.511) 7.839 5.108 ( -5.715 -0.000 1.584) 5.931 5.242 ( -5.643 -0.000 -0.458) 5.662 5.282 ( -7.015 -0.000 -1.737) 7.226 5.804 ( -13.867 -0.000 -8.820) 16.434 6.063 ( -1.495 -0.000 -1.158) 1.891 6.174 ( -4.954 -0.000 2.060) 5.365 6.596 ( 1.951 0.000 8.732) 8.948 6.876 ( 5.675 0.000 -2.230) 6.097 7.338 ( 3.067 0.000 4.577) 5.510 7.525 ( -10.950 -0.000 -0.215) 10.952 7.652 ( 6.712 0.000 4.878) 8.298 8.129 ( 7.692 0.000 -7.226) 10.554 9.531 ( 4.055 0.000 -0.031) 4.055 9.664 ( -5.911 -0.000 14.825) 15.960 10.021 ( -4.889 -0.000 -9.902) 11.043 12.846 ( -0.499 -0.000 -1.112) 1.219 13.902 ( -3.054 -0.000 7.166) 7.789 16.377 ( -2.125 -0.000 -8.758) 9.012 16.964 ( 0.571 0.000 3.359) 3.407 17.235 ( -0.682 -0.000 -0.293) 0.742 17.610 ( 8.428 0.000 0.694) 8.457 18.372 ( -5.711 -0.000 8.160) 9.960 18.701 ( -0.384 -0.000 7.756) 7.765 ======================= Grid point 11 (7/150) ======================= q-point: ( 0.25 0.12 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( 19.843 -6.323 15.397) 25.899 1.564 ( 24.852 -2.784 -4.519) 25.412 1.993 ( 1.720 -1.242 -2.013) 2.924 2.444 ( 3.812 4.904 -2.438) 6.673 2.543 ( -1.219 3.018 -0.005) 3.254 2.667 ( 16.103 -9.027 4.563) 19.016 2.887 ( 6.322 -0.518 -7.072) 9.500 2.922 ( 14.046 -0.990 2.258) 14.261 3.067 ( 3.638 2.299 -7.220) 8.405 3.230 ( -2.912 2.274 3.723) 5.245 3.338 ( -3.094 -4.603 8.335) 10.012 3.558 ( 0.657 -2.944 -2.238) 3.756 3.663 ( -0.338 9.707 -0.428) 9.722 3.834 ( 3.898 -2.767 -0.675) 4.827 3.928 ( -8.135 -5.017 -1.422) 9.663 4.082 ( -7.120 -1.253 5.968) 9.375 4.411 ( -1.880 6.085 -3.340) 7.192 4.581 ( -2.828 0.523 -3.548) 4.567 4.631 ( 9.434 1.617 -1.221) 9.650 4.969 ( -10.051 -2.499 0.393) 10.365 5.141 ( -2.501 1.263 -0.066) 2.803 5.231 ( -2.639 -2.112 0.602) 3.433 5.525 ( -12.639 0.144 -3.652) 13.157 6.028 ( -5.178 -2.398 -3.957) 6.944 6.127 ( -0.838 0.367 4.845) 4.931 6.650 ( 2.047 0.474 3.650) 4.212 6.934 ( 3.106 3.288 -3.479) 5.706 7.321 ( -8.066 -0.010 1.928) 8.293 7.405 ( -1.403 -2.391 2.129) 3.495 7.790 ( 5.203 -1.526 6.004) 8.090 8.222 ( 6.101 1.712 -5.231) 8.217 9.537 ( 5.758 8.585 9.246) 13.869 9.685 ( -2.617 -3.995 -3.014) 5.647 9.887 ( -7.727 -3.176 -5.502) 10.003 12.829 ( -0.553 0.449 -0.955) 1.191 13.869 ( -2.764 0.441 4.803) 5.559 16.192 ( -2.792 12.642 -4.810) 13.811 16.986 ( 0.688 -0.128 2.115) 2.227 17.263 ( -1.684 -6.202 -1.202) 6.538 17.813 ( 9.605 -3.920 0.946) 10.417 18.293 ( -5.052 0.370 0.665) 5.109 18.734 ( 0.002 -0.882 6.834) 6.890 ======================= Grid point 12 (8/150) ======================= q-point: ( 0.38 0.12 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( 11.682 -5.597 11.811) 17.530 1.950 ( 16.674 -2.814 -4.764) 17.568 2.037 ( 4.655 2.452 0.991) 5.354 2.317 ( -11.253 9.728 -3.215) 15.219 2.362 ( -5.696 -0.981 -3.619) 6.820 2.915 ( 7.549 -1.614 -3.991) 8.691 2.937 ( -3.104 0.046 -0.443) 3.136 3.006 ( -1.995 1.284 -2.426) 3.393 3.145 ( -3.752 -0.190 3.723) 5.289 3.290 ( 0.278 -7.627 0.039) 7.632 3.368 ( 0.591 -1.788 4.066) 4.481 3.498 ( 0.515 3.432 0.696) 3.540 3.674 ( 4.368 -5.173 2.217) 7.124 3.783 ( 0.537 8.871 3.483) 9.546 4.005 ( -0.094 -8.342 -2.650) 8.754 4.104 ( 3.535 -4.174 4.307) 6.962 4.239 ( -4.975 9.324 -6.494) 12.404 4.481 ( -3.625 1.958 -1.255) 4.306 4.750 ( 5.450 4.629 -1.662) 7.341 4.875 ( -0.912 -2.452 -0.280) 2.631 5.138 ( -2.549 -2.381 -1.182) 3.683 5.191 ( 1.348 1.852 3.221) 3.953 5.439 ( -0.360 -6.620 0.142) 6.632 5.921 ( -5.290 0.013 -2.539) 5.868 6.156 ( 2.270 1.218 4.329) 5.037 6.683 ( 0.286 -0.180 -0.360) 0.494 6.879 ( 0.062 6.013 -1.879) 6.300 7.254 ( -2.671 -4.340 -0.556) 5.126 7.406 ( -1.844 -1.643 0.245) 2.482 7.895 ( 1.666 -2.185 3.955) 4.815 8.246 ( 1.643 4.018 -1.507) 4.595 9.514 ( -9.595 -1.089 -13.888) 16.915 9.667 ( 6.446 4.020 9.637) 12.271 9.860 ( 0.987 -3.153 2.247) 3.996 12.814 ( -0.303 0.303 -0.773) 0.884 13.840 ( -1.582 0.121 2.564) 3.015 15.986 ( -7.856 5.770 -2.645) 10.100 17.004 ( 0.606 0.079 0.442) 0.754 17.288 ( -2.424 -5.513 -1.534) 6.215 18.020 ( 10.285 0.086 1.853) 10.451 18.204 ( -3.569 0.293 -1.781) 3.999 18.770 ( 1.474 0.384 4.666) 4.908 ======================= Grid point 13 (9/150) ======================= q-point: (-0.50 0.12 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( -9.245 9.557 -1.120) 13.344 1.884 ( -16.481 5.399 1.700) 17.426 2.143 ( -1.281 1.782 -4.859) 5.331 2.230 ( 11.787 0.660 9.894) 15.403 2.344 ( 3.574 -3.426 -2.460) 5.528 2.736 ( -14.111 -2.283 6.278) 15.612 2.966 ( -5.020 -0.617 -11.025) 12.130 3.029 ( 3.220 1.641 -3.376) 4.945 3.054 ( -4.780 -0.336 2.065) 5.218 3.282 ( -6.718 -4.072 0.828) 7.899 3.364 ( -4.734 -0.530 -1.338) 4.947 3.430 ( -1.805 2.645 0.766) 3.293 3.693 ( 2.523 4.858 -0.524) 5.499 3.912 ( -4.487 2.432 -1.050) 5.210 3.978 ( 7.873 -5.593 3.151) 10.158 4.104 ( 0.330 -2.565 0.793) 2.705 4.264 ( 4.935 3.269 4.057) 7.176 4.431 ( 0.124 -3.139 -0.911) 3.271 4.722 ( 0.633 8.126 -2.744) 8.600 5.011 ( 8.876 -2.812 3.806) 10.059 5.073 ( -3.215 -1.306 -3.994) 5.291 5.298 ( 7.453 -0.272 2.591) 7.895 5.547 ( 4.545 -2.236 0.152) 5.067 5.920 ( 4.105 -5.938 2.015) 7.495 6.198 ( 3.575 3.164 3.134) 5.711 6.628 ( -4.095 0.458 -3.503) 5.409 6.869 ( 3.105 2.308 1.689) 4.221 7.280 ( 0.813 -2.778 -3.533) 4.567 7.394 ( -1.633 -3.698 -1.885) 4.460 7.907 ( -2.485 0.091 -2.120) 3.267 8.189 ( -3.336 3.949 5.618) 7.635 9.243 ( -15.207 -3.211 -18.412) 24.095 9.804 ( 7.196 2.375 12.399) 14.531 9.967 ( 7.033 -0.954 0.636) 7.126 12.809 ( 0.283 -0.053 -0.855) 0.902 13.834 ( -0.040 -0.692 0.426) 0.814 15.754 ( -15.197 -1.507 -1.755) 15.372 17.007 ( 0.327 0.613 -0.903) 1.139 17.291 ( -2.795 -4.175 -1.506) 5.245 18.068 ( -1.865 3.301 -0.717) 3.858 18.272 ( 10.745 -0.086 1.360) 10.831 18.815 ( 3.573 1.844 2.335) 4.650 ======================= Grid point 14 (10/150) ======================= q-point: (-0.38 0.12 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( -25.830 9.126 5.822) 28.006 1.551 ( -10.805 17.380 -4.142) 20.879 2.025 ( -8.610 -0.957 -4.202) 9.629 2.276 ( -7.853 -1.769 0.985) 8.110 2.407 ( -9.648 9.074 -0.340) 13.249 2.639 ( -7.974 3.670 -3.169) 9.333 2.689 ( 1.419 -3.316 6.852) 7.743 3.023 ( -0.363 1.820 0.224) 1.870 3.037 ( 0.303 0.926 0.248) 1.005 3.189 ( -3.061 1.654 -3.162) 4.702 3.243 ( -2.862 -3.769 -3.129) 5.674 3.516 ( 5.173 -2.023 0.659) 5.594 3.732 ( 2.618 1.262 0.735) 2.998 3.884 ( 4.713 -1.281 0.130) 4.886 4.046 ( -9.395 -4.807 1.217) 10.623 4.128 ( -2.578 -1.860 -0.761) 3.269 4.358 ( 9.590 3.893 5.494) 11.718 4.498 ( 1.532 4.691 -1.435) 5.139 4.665 ( 7.052 -0.202 -1.315) 7.177 5.047 ( -0.503 -2.353 -2.442) 3.428 5.165 ( 3.173 -2.087 6.896) 7.873 5.394 ( 2.480 0.412 -2.700) 3.689 5.711 ( 12.347 0.006 1.833) 12.482 6.135 ( 5.393 -5.225 1.998) 7.770 6.257 ( 8.035 1.097 5.523) 9.812 6.560 ( -1.412 -0.523 -4.565) 4.807 6.887 ( -0.077 1.404 1.129) 1.804 7.283 ( -1.294 -1.009 -4.579) 4.865 7.455 ( 3.136 -5.928 -2.068) 7.018 7.794 ( -5.182 4.134 -5.443) 8.577 8.100 ( -6.323 1.584 9.466) 11.494 8.945 ( -17.377 -6.668 -17.049) 25.240 9.954 ( 9.340 2.984 6.534) 11.783 10.100 ( 6.315 -0.093 1.846) 6.580 12.819 ( 1.112 -0.264 -0.996) 1.516 13.854 ( 0.962 -1.450 -1.658) 2.403 15.467 ( -22.938 -7.643 -2.135) 24.272 16.995 ( -0.037 1.206 -1.354) 1.814 17.274 ( -2.791 -2.657 -1.308) 4.070 17.993 ( -2.040 2.414 -0.524) 3.204 18.477 ( 11.992 1.778 2.826) 12.448 18.876 ( 6.799 3.485 -0.483) 7.655 ======================= Grid point 15 (11/150) ======================= q-point: (-0.25 0.12 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( -27.325 10.519 10.872) 31.233 1.080 ( -14.948 21.614 -6.003) 26.956 1.646 ( -16.513 31.165 -11.642) 37.141 2.017 ( -8.216 -2.965 1.156) 8.811 2.202 ( -7.241 -5.971 2.649) 9.752 2.647 ( 4.537 5.534 -1.851) 7.392 2.785 ( 1.883 -0.399 5.891) 6.198 2.970 ( -4.548 -1.395 2.136) 5.215 3.078 ( 1.565 -4.155 2.289) 4.996 3.128 ( -0.162 3.817 -6.780) 7.782 3.313 ( 5.228 -4.920 3.098) 7.819 3.596 ( 4.715 1.493 -2.935) 5.751 3.775 ( 2.408 -0.352 0.925) 2.604 3.869 ( -2.590 4.279 2.149) 5.445 3.987 ( -9.282 -3.659 2.775) 10.356 4.100 ( -1.918 -6.542 -4.575) 8.210 4.426 ( 6.148 2.221 7.166) 9.699 4.519 ( 7.511 5.742 -5.615) 10.996 4.863 ( 8.814 -1.408 1.796) 9.105 5.083 ( 1.062 -3.366 -0.717) 3.602 5.255 ( 1.308 -4.136 5.465) 6.977 5.401 ( 0.308 -0.331 -2.695) 2.732 5.880 ( 6.002 2.624 0.561) 6.575 6.178 ( 1.466 1.412 -1.412) 2.477 6.485 ( 2.975 -3.456 12.476) 13.284 6.577 ( 9.651 -1.428 -8.575) 12.989 6.847 ( -2.398 1.897 2.009) 3.659 7.243 ( -2.055 -0.926 -3.722) 4.352 7.550 ( -1.394 -2.166 -3.525) 4.366 7.677 ( 2.428 2.127 0.543) 3.273 8.011 ( -5.793 0.632 7.672) 9.634 8.641 ( -21.431 -9.193 -16.904) 28.802 10.102 ( 7.804 2.530 3.367) 8.868 10.203 ( 6.406 0.886 0.669) 6.501 12.844 ( 1.722 -0.069 -0.933) 1.960 13.881 ( 1.006 -1.719 -3.600) 4.114 15.093 ( -29.769 -9.328 -3.645) 31.408 16.972 ( -0.215 1.559 -0.924) 1.825 17.249 ( -2.022 -1.379 -0.820) 2.581 17.950 ( -0.368 1.201 0.598) 1.391 18.638 ( 6.079 1.226 2.711) 6.768 19.001 ( 14.253 4.491 -2.520) 15.154 ======================= Grid point 16 (12/150) ======================= q-point: (-0.12 0.12 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.335 ( -0.000 15.115 0.000) 15.115 0.603 ( -0.000 26.486 0.000) 26.486 1.010 ( -0.000 43.646 0.000) 43.646 1.997 ( 0.000 -1.174 -0.000) 1.174 2.212 ( 0.000 -7.029 -0.000) 7.029 2.592 ( -0.000 9.395 0.000) 9.395 2.803 ( -0.000 0.799 0.000) 0.799 2.957 ( 0.000 -3.302 -0.000) 3.302 3.062 ( -0.000 2.672 0.000) 2.672 3.173 ( 0.000 -8.220 -0.000) 8.220 3.489 ( 0.000 -9.025 -0.000) 9.025 3.714 ( -0.000 7.507 0.000) 7.507 3.753 ( -0.000 0.838 0.000) 0.838 3.765 ( 0.000 -0.565 -0.000) 0.565 3.899 ( -0.000 0.150 0.000) 0.150 4.157 ( 0.000 -8.020 -0.000) 8.020 4.497 ( -0.000 5.120 0.000) 5.120 4.582 ( 0.000 -4.386 -0.000) 4.386 4.938 ( -0.000 4.398 0.000) 4.398 5.131 ( 0.000 -2.983 -0.000) 2.983 5.331 ( 0.000 -1.925 -0.000) 1.925 5.404 ( 0.000 -3.890 -0.000) 3.890 5.864 ( -0.000 5.367 0.000) 5.367 6.186 ( 0.000 -0.199 -0.000) 0.199 6.505 ( -0.000 0.904 0.000) 0.904 6.738 ( -0.000 0.559 0.000) 0.559 6.891 ( 0.000 -9.057 -0.000) 9.057 7.224 ( 0.000 -0.805 -0.000) 0.805 7.498 ( -0.000 2.940 0.000) 2.940 7.759 ( 0.000 -1.896 -0.000) 1.896 7.948 ( -0.000 1.476 0.000) 1.476 8.332 ( -0.000 0.395 0.000) 0.395 10.150 ( -0.000 1.361 0.000) 1.361 10.312 ( 0.000 -1.670 -0.000) 1.670 12.863 ( -0.000 0.123 0.000) 0.123 13.896 ( 0.000 -1.141 -0.000) 1.141 14.723 ( -0.000 2.707 0.000) 2.707 16.950 ( -0.000 1.353 0.000) 1.353 17.239 ( 0.000 -0.709 -0.000) 0.709 17.951 ( 0.000 -0.322 -0.000) 0.322 18.680 ( -0.000 0.669 0.000) 0.669 19.187 ( 0.000 -1.815 -0.000) 1.815 ======================= Grid point 19 (13/150) ======================= q-point: ( 0.25 0.25 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( 13.837 0.000 12.835) 18.873 1.918 ( 18.983 0.000 -6.323) 20.008 2.071 ( 7.367 0.000 2.012) 7.637 2.345 ( -8.633 -0.000 -1.123) 8.705 2.458 ( -8.866 -0.000 -7.186) 11.412 2.875 ( 2.270 0.000 2.136) 3.117 2.956 ( 5.802 0.000 -5.896) 8.272 3.039 ( -5.744 -0.000 -0.569) 5.772 3.144 ( -0.581 -0.000 2.358) 2.428 3.189 ( -1.024 -0.000 -1.067) 1.479 3.312 ( 2.444 0.000 9.711) 10.014 3.513 ( 2.773 0.000 0.107) 2.775 3.712 ( -5.136 -0.000 -1.965) 5.499 3.822 ( 1.260 0.000 -4.615) 4.784 3.956 ( -6.868 -0.000 5.559) 8.836 3.991 ( 14.227 0.000 5.393) 15.214 4.355 ( -6.994 -0.000 -5.213) 8.723 4.545 ( 2.585 0.000 -6.604) 7.092 4.800 ( -7.222 -0.000 3.433) 7.996 4.828 ( 9.078 0.000 -0.300) 9.083 5.098 ( -1.239 -0.000 -1.022) 1.606 5.239 ( 1.653 0.000 3.312) 3.702 5.330 ( -4.604 -0.000 -1.453) 4.828 5.916 ( -4.937 -0.000 -3.114) 5.837 6.174 ( 2.851 0.000 6.231) 6.852 6.680 ( 0.340 0.000 -0.732) 0.807 7.001 ( 2.608 0.000 -5.041) 5.676 7.149 ( -7.278 -0.000 1.391) 7.410 7.390 ( -1.807 -0.000 1.178) 2.158 7.869 ( 2.360 0.000 4.017) 4.659 8.299 ( 2.230 0.000 -1.101) 2.486 9.502 ( -10.400 -0.000 -14.883) 18.157 9.767 ( -1.431 -0.000 10.673) 10.769 9.771 ( 8.639 0.000 1.261) 8.731 12.818 ( -0.454 -0.000 -1.126) 1.214 13.842 ( -2.250 -0.000 3.618) 4.260 16.075 ( -13.412 -0.000 -4.595) 14.177 17.005 ( 0.792 0.000 0.889) 1.190 17.203 ( -0.651 -0.000 -1.333) 1.483 18.021 ( 13.608 0.000 2.296) 13.801 18.208 ( -4.699 -0.000 -2.393) 5.273 18.776 ( 2.035 0.000 6.577) 6.885 ======================= Grid point 20 (14/150) ======================= q-point: ( 0.38 0.25 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( -11.973 -4.513 1.837) 12.927 1.985 ( -8.025 4.956 2.142) 9.672 2.169 ( 8.817 -2.731 -5.976) 10.996 2.278 ( -2.835 6.187 -4.943) 8.411 2.417 ( 14.831 4.413 10.248) 18.559 2.681 ( -17.860 -2.042 5.395) 18.769 2.940 ( -14.108 -2.258 -9.184) 16.985 3.023 ( 4.216 0.089 -4.089) 5.874 3.067 ( 2.960 0.146 -3.640) 4.694 3.212 ( 1.140 -0.967 -0.806) 1.698 3.317 ( -5.746 -1.576 8.488) 10.371 3.537 ( -6.062 4.878 -1.193) 7.872 3.705 ( -0.455 -5.100 -0.003) 5.120 3.838 ( 6.727 0.001 3.857) 7.754 3.913 ( -0.041 -3.757 -0.496) 3.790 4.161 ( -7.070 3.937 -2.507) 8.471 4.311 ( 13.454 -1.219 6.828) 15.137 4.505 ( 0.390 11.123 -3.729) 11.738 4.783 ( 0.970 -6.061 -1.281) 6.271 4.942 ( 3.942 -0.751 1.138) 4.171 5.059 ( -1.850 0.062 -3.394) 3.866 5.290 ( 3.734 -0.190 3.348) 5.019 5.456 ( 12.475 -3.684 2.309) 13.211 5.840 ( -2.453 -1.383 -0.988) 2.984 6.256 ( 4.499 1.594 6.630) 8.170 6.642 ( -3.703 0.482 -2.622) 4.563 6.960 ( 1.280 5.326 -3.537) 6.521 7.155 ( 0.724 -6.972 -1.975) 7.282 7.347 ( -3.207 -0.625 -0.620) 3.326 7.896 ( -0.496 -0.443 -0.309) 0.733 8.279 ( -3.467 2.644 4.401) 6.195 9.200 ( -15.745 -0.850 -19.329) 24.945 9.849 ( 6.239 1.395 11.855) 13.469 9.936 ( 7.892 -1.299 1.203) 8.088 12.810 ( 0.219 0.092 -1.130) 1.155 13.824 ( -1.071 -0.245 2.139) 2.405 15.764 ( -18.668 1.071 -3.130) 18.959 17.018 ( 0.779 0.306 -0.441) 0.946 17.203 ( -0.946 -2.627 -1.429) 3.137 18.111 ( -4.260 0.797 -3.050) 5.300 18.274 ( 13.627 0.120 2.460) 13.848 18.845 ( 3.678 0.725 5.011) 6.258 ======================= Grid point 21 (15/150) ======================= q-point: (-0.50 0.25 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( -30.051 -4.005 0.781) 30.326 1.837 ( -8.677 7.560 0.026) 11.509 2.085 ( -8.334 11.457 0.103) 14.168 2.189 ( -7.897 -3.908 0.062) 8.812 2.568 ( 1.596 -2.104 -4.024) 4.813 2.656 ( 8.067 1.739 7.232) 10.972 2.693 ( -7.189 2.212 -1.814) 7.737 3.051 ( -0.220 0.657 -3.953) 4.013 3.063 ( -3.446 -0.426 -1.540) 3.799 3.161 ( -3.054 2.229 0.789) 3.863 3.322 ( -0.059 3.875 -4.873) 6.226 3.435 ( 2.757 -3.812 4.681) 6.637 3.663 ( -5.766 -5.881 -3.472) 8.938 3.883 ( 2.088 -0.068 2.250) 3.070 3.976 ( -6.045 0.969 -0.472) 6.141 4.144 ( 5.514 1.914 3.551) 6.832 4.405 ( 4.853 1.963 -1.216) 5.375 4.543 ( 10.484 2.604 6.890) 12.813 4.801 ( 0.227 5.979 -2.608) 6.527 4.997 ( -1.518 -2.955 -3.344) 4.713 5.068 ( 1.041 -5.322 2.871) 6.136 5.365 ( 1.651 -2.224 -0.586) 2.831 5.721 ( 13.488 1.032 1.410) 13.601 5.936 ( 6.391 -9.097 3.397) 11.625 6.336 ( 5.077 3.771 6.219) 8.870 6.561 ( -2.403 0.427 -2.453) 3.460 6.917 ( -1.139 1.486 -3.888) 4.315 7.250 ( 2.007 -3.196 -3.827) 5.375 7.314 ( -0.938 -4.405 -0.207) 4.509 7.855 ( -2.180 1.540 -5.244) 5.884 8.168 ( -7.363 3.420 9.364) 12.393 8.857 ( -16.776 -1.944 -17.836) 24.563 10.007 ( 8.783 1.712 8.144) 12.099 10.080 ( 6.246 -1.256 0.851) 6.427 12.818 ( 1.324 0.073 -1.142) 1.750 13.826 ( -0.022 -0.906 0.634) 1.106 15.396 ( -21.347 -0.368 -2.303) 21.474 17.020 ( 0.523 0.937 -0.957) 1.438 17.209 ( -1.258 -2.659 -1.264) 3.202 18.022 ( -3.592 0.600 -2.518) 4.427 18.506 ( 11.892 0.831 2.689) 12.220 18.924 ( 5.090 1.126 2.852) 5.942 ======================= Grid point 22 (16/150) ======================= q-point: (-0.38 0.25 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( -26.050 0.616 6.164) 26.776 1.533 ( -9.927 15.363 -5.366) 19.062 1.790 ( -13.177 -2.274 1.266) 13.432 2.115 ( -4.821 -3.838 1.072) 6.255 2.361 ( -7.010 23.118 -5.333) 24.739 2.691 ( 5.676 -1.217 -2.154) 6.191 2.798 ( 3.643 0.907 6.472) 7.482 2.960 ( -7.224 -0.209 2.245) 7.568 3.028 ( 1.195 0.003 -2.961) 3.193 3.171 ( 2.544 -4.285 0.547) 5.013 3.271 ( 4.108 7.092 -3.876) 9.066 3.617 ( 6.835 -1.201 0.708) 6.976 3.628 ( -6.034 -9.972 -1.810) 11.795 3.844 ( -6.374 -1.312 2.310) 6.905 3.986 ( 4.743 -0.902 2.191) 5.301 4.048 ( -6.210 4.103 -2.092) 7.732 4.585 ( 5.744 6.043 7.486) 11.205 4.636 ( 5.799 5.673 -3.512) 8.840 4.783 ( 8.470 -2.592 -0.229) 8.861 5.008 ( 0.048 -3.355 -1.534) 3.690 5.132 ( -3.908 -7.067 4.304) 9.151 5.388 ( 0.005 -1.085 -1.653) 1.977 5.938 ( 10.930 1.194 -0.485) 11.005 6.137 ( 1.629 -7.235 0.838) 7.463 6.403 ( 3.887 0.937 6.764) 7.858 6.565 ( 4.032 -0.175 -0.707) 4.097 6.846 ( -5.187 -1.113 -3.646) 6.437 7.232 ( -1.639 -0.063 -2.771) 3.220 7.427 ( 2.546 -6.832 -0.359) 7.300 7.774 ( 0.405 4.581 -3.682) 5.891 8.048 ( -5.648 2.216 7.747) 9.840 8.537 ( -15.015 -1.849 -13.260) 20.117 10.149 ( 5.551 1.607 4.280) 7.191 10.190 ( 5.230 -1.194 0.136) 5.366 12.844 ( 1.957 0.046 -0.903) 2.156 13.844 ( 0.338 -1.472 -0.564) 1.612 15.029 ( -18.387 0.735 -1.720) 18.482 17.009 ( 0.209 1.591 -0.688) 1.746 17.209 ( -1.131 -1.935 -0.843) 2.395 17.961 ( -1.905 0.149 -1.204) 2.258 18.666 ( 6.046 1.275 2.132) 6.536 19.030 ( 6.643 -0.531 0.823) 6.715 ======================= Grid point 23 (17/150) ======================= q-point: (-0.25 0.25 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( -0.000 10.057 0.000) 10.057 1.177 ( -0.000 23.985 0.000) 23.985 1.789 ( 0.000 -14.377 -0.000) 14.377 1.923 ( -0.000 36.509 0.000) 36.509 2.118 ( 0.000 -2.883 -0.000) 2.883 2.755 ( -0.000 1.858 0.000) 1.858 2.837 ( -0.000 2.617 0.000) 2.617 2.883 ( 0.000 -2.664 -0.000) 2.664 3.051 ( 0.000 -2.438 -0.000) 2.438 3.205 ( -0.000 9.010 0.000) 9.010 3.292 ( 0.000 -6.816 -0.000) 6.816 3.621 ( 0.000 -8.452 -0.000) 8.452 3.745 ( 0.000 -1.466 -0.000) 1.466 3.797 ( -0.000 0.229 0.000) 0.229 3.971 ( 0.000 -5.801 -0.000) 5.801 4.011 ( -0.000 4.633 0.000) 4.633 4.565 ( -0.000 4.283 0.000) 4.283 4.628 ( -0.000 5.753 0.000) 5.753 4.976 ( 0.000 -1.437 -0.000) 1.437 5.043 ( 0.000 -5.093 -0.000) 5.093 5.166 ( 0.000 -9.301 -0.000) 9.301 5.391 ( 0.000 -0.095 -0.000) 0.095 5.995 ( -0.000 5.792 0.000) 5.792 6.183 ( 0.000 -1.752 -0.000) 1.752 6.477 ( 0.000 -3.707 -0.000) 3.707 6.701 ( 0.000 -5.134 -0.000) 5.134 6.740 ( 0.000 -0.654 -0.000) 0.654 7.210 ( 0.000 -0.229 -0.000) 0.229 7.501 ( 0.000 -3.639 -0.000) 3.639 7.758 ( -0.000 2.698 0.000) 2.698 7.989 ( -0.000 1.925 0.000) 1.925 8.344 ( -0.000 0.637 0.000) 0.637 10.185 ( -0.000 1.376 0.000) 1.376 10.269 ( 0.000 -1.829 -0.000) 1.829 12.864 ( 0.000 -0.002 -0.000) 0.002 13.863 ( 0.000 -1.607 -0.000) 1.607 14.803 ( -0.000 4.047 0.000) 4.047 16.989 ( -0.000 1.902 0.000) 1.902 17.214 ( 0.000 -1.416 -0.000) 1.416 17.944 ( 0.000 -0.287 -0.000) 0.287 18.704 ( -0.000 1.423 0.000) 1.423 19.132 ( 0.000 -2.895 -0.000) 2.895 ======================= Grid point 28 (18/150) ======================= q-point: ( 0.38 -0.62 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( -32.938 -0.000 -3.997) 33.179 1.980 ( -3.832 -0.000 0.961) 3.950 2.085 ( -17.232 -0.000 6.895) 18.560 2.336 ( 6.026 0.000 4.053) 7.262 2.494 ( -7.459 -0.000 -14.926) 16.686 2.572 ( -9.922 -0.000 -0.888) 9.961 2.792 ( 16.017 0.000 8.909) 18.328 3.050 ( -4.022 -0.000 -2.252) 4.609 3.062 ( -0.340 -0.000 -3.365) 3.382 3.255 ( -2.838 -0.000 4.809) 5.584 3.256 ( 5.323 0.000 -2.459) 5.864 3.434 ( -5.625 -0.000 -3.174) 6.458 3.579 ( -5.481 -0.000 -2.520) 6.033 3.883 ( 0.217 0.000 2.961) 2.969 4.024 ( -7.146 -0.000 -0.839) 7.195 4.115 ( 16.154 0.000 4.139) 16.676 4.569 ( 11.177 0.000 9.036) 14.373 4.603 ( -8.075 -0.000 0.643) 8.101 4.717 ( 8.363 0.000 -6.547) 10.621 4.930 ( -2.471 -0.000 0.667) 2.559 5.055 ( 0.326 0.000 -4.228) 4.240 5.335 ( 1.542 0.000 2.067) 2.579 5.761 ( 18.647 0.000 3.630) 18.998 5.799 ( -0.452 -0.000 0.656) 0.796 6.383 ( 5.468 0.000 8.390) 10.014 6.568 ( -3.421 -0.000 -1.919) 3.923 6.945 ( -3.160 -0.000 -9.818) 10.314 7.175 ( 5.529 0.000 1.106) 5.638 7.284 ( -2.978 -0.000 -1.084) 3.169 7.872 ( -0.663 -0.000 -4.920) 4.965 8.212 ( -8.309 -0.000 9.087) 12.313 8.837 ( -16.365 -0.000 -17.994) 24.323 10.027 ( 8.578 0.000 8.251) 11.902 10.062 ( 6.338 0.000 0.900) 6.401 12.819 ( 1.300 0.000 -1.105) 1.706 13.816 ( -0.387 -0.000 1.358) 1.412 15.398 ( -21.007 -0.000 -2.515) 21.157 17.032 ( 0.730 0.000 -0.742) 1.041 17.176 ( -0.347 -0.000 -1.118) 1.170 18.028 ( -3.882 -0.000 -3.008) 4.911 18.515 ( 11.997 0.000 2.316) 12.219 18.936 ( 4.040 0.000 3.841) 5.574 ======================= Grid point 30 (19/150) ======================= q-point: (-0.50 0.38 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( -33.315 -11.342 -2.554) 35.285 1.720 ( -13.814 8.054 6.061) 17.100 1.953 ( -7.831 -4.601 2.580) 9.442 2.075 ( -10.801 10.868 -9.226) 17.886 2.552 ( 6.875 -4.836 4.377) 9.477 2.654 ( 7.655 -1.618 -3.232) 8.465 2.874 ( -4.896 5.341 -2.169) 7.563 2.945 ( -7.189 -0.237 1.407) 7.329 3.075 ( 6.015 3.139 -0.585) 6.810 3.176 ( -1.760 3.405 -0.208) 3.838 3.350 ( -2.863 -3.489 -4.845) 6.622 3.432 ( 5.768 -2.977 0.929) 6.557 3.543 ( 0.516 -3.343 0.755) 3.466 3.890 ( -1.701 2.464 4.130) 5.101 3.958 ( 2.033 0.144 0.573) 2.117 4.274 ( -2.433 13.130 0.228) 13.355 4.496 ( 7.277 -6.877 -0.160) 10.014 4.750 ( 5.464 0.797 7.971) 9.697 4.851 ( 3.165 -0.877 -4.485) 5.559 4.900 ( -3.080 -2.900 1.659) 4.544 5.013 ( -1.805 -0.046 -3.927) 4.323 5.361 ( 0.348 -0.895 0.360) 1.026 5.849 ( 2.873 -6.185 0.708) 6.856 6.045 ( 10.128 -0.098 2.058) 10.335 6.483 ( 2.772 3.970 5.293) 7.174 6.547 ( 2.435 -1.644 3.815) 4.815 6.827 ( -5.690 -0.352 -10.078) 11.579 7.236 ( -1.279 0.328 -1.507) 2.004 7.295 ( 3.572 -3.933 0.968) 5.400 7.848 ( 1.715 1.766 -5.397) 5.932 8.090 ( -7.354 1.157 8.646) 11.410 8.519 ( -12.916 -0.237 -12.237) 17.794 10.154 ( 3.291 -0.589 0.677) 3.411 10.187 ( 6.627 0.532 3.935) 7.725 12.845 ( 1.751 -0.001 -0.754) 1.906 13.820 ( 0.014 -0.587 0.465) 0.749 15.058 ( -15.081 1.028 -1.437) 15.185 17.036 ( 0.437 0.682 -0.535) 0.971 17.173 ( -0.321 -0.986 -0.666) 1.233 17.963 ( -2.263 0.053 -1.703) 2.832 18.690 ( 6.922 0.663 1.511) 7.116 19.012 ( 3.136 -0.644 1.888) 3.717 ======================= Grid point 31 (20/150) ======================= q-point: (-0.38 0.38 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.604 ( 0.000 -16.606 -0.000) 16.606 1.529 ( -0.000 4.451 0.000) 4.451 1.734 ( -0.000 15.425 0.000) 15.425 2.013 ( 0.000 -6.321 -0.000) 6.321 2.577 ( -0.000 19.882 0.000) 19.882 2.742 ( 0.000 -1.708 -0.000) 1.708 2.807 ( 0.000 -6.023 -0.000) 6.023 2.852 ( 0.000 -0.242 -0.000) 0.242 3.070 ( -0.000 4.063 0.000) 4.063 3.166 ( 0.000 -1.075 -0.000) 1.075 3.407 ( 0.000 -9.547 -0.000) 9.547 3.423 ( -0.000 6.146 0.000) 6.146 3.638 ( 0.000 -6.723 -0.000) 6.723 3.851 ( -0.000 4.757 0.000) 4.757 4.010 ( 0.000 -2.655 -0.000) 2.655 4.052 ( -0.000 12.131 0.000) 12.131 4.693 ( 0.000 -3.458 -0.000) 3.458 4.763 ( -0.000 10.693 0.000) 10.693 4.877 ( 0.000 -6.364 -0.000) 6.364 4.890 ( 0.000 -5.219 -0.000) 5.219 5.015 ( 0.000 -3.691 -0.000) 3.691 5.375 ( 0.000 -1.052 -0.000) 1.052 6.002 ( 0.000 -12.241 -0.000) 12.241 6.107 ( -0.000 3.827 0.000) 3.827 6.467 ( -0.000 3.001 0.000) 3.001 6.658 ( 0.000 -0.395 -0.000) 0.395 6.711 ( 0.000 -1.628 -0.000) 1.628 7.215 ( -0.000 0.481 0.000) 0.481 7.381 ( 0.000 -5.489 -0.000) 5.489 7.839 ( -0.000 3.354 0.000) 3.354 8.026 ( -0.000 1.248 0.000) 1.248 8.358 ( -0.000 0.514 0.000) 0.514 10.192 ( 0.000 -0.700 -0.000) 0.700 10.252 ( -0.000 0.349 0.000) 0.349 12.863 ( 0.000 -0.117 -0.000) 0.117 13.831 ( 0.000 -1.130 -0.000) 1.130 14.887 ( -0.000 3.041 0.000) 3.041 17.027 ( -0.000 1.338 0.000) 1.338 17.181 ( 0.000 -1.321 -0.000) 1.321 17.940 ( 0.000 -0.083 -0.000) 0.083 18.740 ( -0.000 1.570 0.000) 1.570 19.068 ( 0.000 -2.506 -0.000) 2.506 ======================= Grid point 39 (21/150) ======================= q-point: (-0.50 0.50 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.138 ( 0.000 -0.000 -0.000) 0.000 1.642 ( 0.000 -0.000 -0.000) 0.000 1.861 ( 0.000 -0.000 -0.000) 0.000 2.003 ( -0.000 0.000 0.000) 0.000 2.661 ( 0.000 -0.000 -0.000) 0.000 2.742 ( 0.000 -0.000 -0.000) 0.000 2.793 ( 0.000 -0.000 -0.000) 0.000 2.852 ( 0.000 -0.000 -0.000) 0.000 3.173 ( 0.000 -0.000 -0.000) 0.000 3.173 ( 0.000 -0.000 -0.000) 0.000 3.249 ( 0.000 -0.000 -0.000) 0.000 3.512 ( 0.000 -0.000 -0.000) 0.000 3.523 ( 0.000 -0.000 -0.000) 0.000 3.922 ( 0.000 -0.000 -0.000) 0.000 3.990 ( 0.000 -0.000 -0.000) 0.000 4.316 ( -0.000 0.000 0.000) 0.000 4.507 ( 0.000 -0.000 -0.000) 0.000 4.765 ( 0.000 -0.000 -0.000) 0.000 4.870 ( -0.000 0.000 0.000) 0.000 4.925 ( 0.000 -0.000 -0.000) 0.000 4.975 ( 0.000 -0.000 -0.000) 0.000 5.360 ( 0.000 -0.000 -0.000) 0.000 5.824 ( 0.000 -0.000 -0.000) 0.000 6.152 ( 0.000 -0.000 -0.000) 0.000 6.517 ( 0.000 -0.000 -0.000) 0.000 6.654 ( 0.000 -0.000 -0.000) 0.000 6.688 ( 0.000 -0.000 -0.000) 0.000 7.222 ( 0.000 -0.000 -0.000) 0.000 7.310 ( 0.000 -0.000 -0.000) 0.000 7.880 ( 0.000 -0.000 -0.000) 0.000 8.041 ( 0.000 -0.000 -0.000) 0.000 8.364 ( 0.000 -0.000 -0.000) 0.000 10.180 ( 0.000 -0.000 -0.000) 0.000 10.259 ( 0.000 -0.000 -0.000) 0.000 12.861 ( 0.000 -0.000 -0.000) 0.000 13.817 ( 0.000 -0.000 -0.000) 0.000 14.923 ( 0.000 -0.000 -0.000) 0.000 17.043 ( 0.000 -0.000 -0.000) 0.000 17.165 ( 0.000 -0.000 -0.000) 0.000 17.939 ( 0.000 -0.000 -0.000) 0.000 18.761 ( 0.000 -0.000 -0.000) 0.000 19.036 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 69 (22/150) ======================= q-point: ( 0.00 0.00 0.12) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.431 ( 12.482 0.000 22.088) 25.371 0.593 ( -19.925 -0.000 29.758) 35.812 0.835 ( 14.101 0.000 41.773) 44.088 1.992 ( -2.075 -0.000 0.831) 2.236 2.320 ( 0.162 0.000 -0.271) 0.315 2.476 ( 0.487 0.000 -0.077) 0.493 2.809 ( 0.479 0.000 0.473) 0.673 2.812 ( -8.010 -0.000 -3.955) 8.933 3.020 ( -1.911 -0.000 1.751) 2.592 3.123 ( -8.427 -0.000 -2.486) 8.787 3.417 ( 0.815 0.000 4.604) 4.676 3.467 ( -4.390 -0.000 -5.687) 7.184 3.732 ( 3.376 0.000 4.826) 5.889 3.739 ( 8.583 0.000 0.136) 8.584 3.861 ( -0.106 -0.000 6.364) 6.365 4.293 ( 6.047 0.000 3.036) 6.766 4.557 ( -4.214 -0.000 3.012) 5.180 4.658 ( 2.361 0.000 -12.293) 12.518 4.950 ( -7.181 -0.000 1.009) 7.252 5.122 ( 1.095 0.000 -4.707) 4.833 5.454 ( 12.044 0.000 -15.414) 19.561 5.463 ( -0.780 -0.000 -1.878) 2.034 5.860 ( -19.317 -0.000 -12.124) 22.806 6.094 ( -1.010 -0.000 -2.623) 2.811 6.284 ( 1.998 0.000 -0.334) 2.026 6.627 ( -1.528 -0.000 10.868) 10.975 6.768 ( -1.938 -0.000 3.631) 4.116 7.279 ( 2.839 0.000 4.324) 5.173 7.426 ( 4.868 0.000 -2.081) 5.294 7.850 ( 2.695 0.000 5.944) 6.526 8.110 ( -24.618 -0.000 3.276) 24.835 9.426 ( 39.687 0.000 0.142) 39.687 9.445 ( 0.122 0.000 -2.495) 2.498 10.119 ( -6.422 -0.000 -1.522) 6.600 12.851 ( 2.118 0.000 -0.964) 2.327 14.662 ( -17.200 -0.000 0.410) 17.205 15.665 ( 22.197 0.000 0.533) 22.203 16.933 ( 1.075 0.000 -0.106) 1.080 17.251 ( 0.408 0.000 0.389) 0.564 17.452 ( -0.187 -0.000 -0.559) 0.590 18.349 ( 33.136 0.000 0.809) 33.145 18.662 ( -1.054 -0.000 -1.046) 1.485 ======================= Grid point 70 (23/150) ======================= q-point: ( 0.12 0.00 0.12) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.563 ( 15.020 -5.613 12.866) 20.559 0.880 ( 17.635 -12.260 18.106) 28.092 1.583 ( 34.176 -10.068 32.273) 48.072 1.980 ( -1.071 -2.602 -0.427) 2.846 2.350 ( 5.857 4.763 0.487) 7.565 2.554 ( 4.036 -2.860 0.475) 4.970 2.663 ( -6.367 -3.790 -9.868) 12.340 2.842 ( 0.235 -3.582 -1.164) 3.773 2.924 ( -5.468 -4.071 -2.388) 7.224 3.177 ( 5.817 4.433 0.370) 7.323 3.369 ( 1.286 0.138 2.783) 3.069 3.515 ( -0.695 -10.693 -0.731) 10.741 3.770 ( -0.060 2.987 3.208) 4.383 3.795 ( -1.842 -0.140 5.818) 6.104 4.035 ( 15.135 3.733 -2.508) 15.789 4.365 ( 1.792 5.026 5.176) 7.434 4.438 ( -4.977 4.400 1.612) 6.836 4.592 ( -11.991 0.662 -0.906) 12.043 4.703 ( -10.767 -4.266 -6.743) 13.401 5.106 ( 0.399 1.592 -4.533) 4.821 5.314 ( -10.881 7.116 -4.001) 13.603 5.408 ( -4.050 -1.199 -2.511) 4.914 5.623 ( 0.856 -2.199 -14.026) 14.224 6.097 ( -4.419 -6.684 -4.463) 9.172 6.266 ( -4.443 0.049 -1.889) 4.828 6.793 ( 4.043 1.026 6.953) 8.108 6.832 ( 4.577 -2.488 6.282) 8.160 7.354 ( 3.557 0.577 5.198) 6.325 7.545 ( 7.096 -3.189 -0.267) 7.785 7.737 ( -13.095 1.831 4.760) 14.053 7.966 ( 3.390 1.539 3.287) 4.967 9.313 ( 10.388 19.018 4.621) 22.157 9.875 ( -1.382 -7.396 -8.877) 11.636 10.021 ( -4.193 -5.754 -4.249) 8.291 12.823 ( -2.458 -0.034 -1.030) 2.666 14.329 ( -15.193 3.184 19.902) 25.240 15.721 ( 22.345 36.123 -7.934) 43.210 16.984 ( 3.246 1.007 1.909) 3.898 17.273 ( 1.207 -1.482 0.382) 1.949 17.637 ( -1.405 -19.729 -6.365) 20.778 18.515 ( -6.129 -1.183 -4.678) 7.801 18.805 ( 5.423 -4.352 -3.890) 7.967 ======================= Grid point 71 (24/150) ======================= q-point: ( 0.25 0.00 0.12) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( 27.520 -7.154 0.190) 28.435 1.391 ( 17.193 -11.922 15.371) 25.961 2.007 ( -0.798 -4.583 -0.730) 4.709 2.236 ( 11.670 1.243 5.142) 12.813 2.442 ( 11.948 5.566 0.426) 13.188 2.626 ( 11.093 -8.313 2.442) 14.076 2.712 ( 3.655 -0.828 6.824) 7.785 2.840 ( -2.497 -5.490 -3.981) 7.226 2.931 ( 2.159 -2.648 -2.891) 4.476 3.199 ( 3.513 0.798 -0.883) 3.709 3.470 ( 5.838 0.591 6.689) 8.898 3.643 ( -2.393 -0.635 1.995) 3.180 3.669 ( -4.202 -1.076 4.913) 6.554 3.811 ( 0.277 -1.640 -0.010) 1.664 4.068 ( -2.848 3.949 -2.968) 5.702 4.266 ( -5.276 4.200 3.318) 7.516 4.375 ( -7.133 5.311 -0.809) 8.930 4.431 ( 5.804 -1.797 0.778) 6.125 4.627 ( -4.766 -3.619 -4.917) 7.745 5.056 ( -5.790 2.974 -6.315) 9.069 5.103 ( 0.745 3.508 -2.802) 4.551 5.344 ( -7.079 -4.054 -2.340) 8.486 5.565 ( -3.711 -1.046 -9.570) 10.317 6.071 ( -4.434 -4.248 -5.982) 8.573 6.158 ( -2.994 3.539 -2.213) 5.137 6.818 ( -2.738 2.274 11.053) 11.612 6.899 ( -0.209 -0.363 5.114) 5.131 7.405 ( 0.801 1.495 3.995) 4.340 7.533 ( -8.759 0.236 -1.598) 8.907 7.716 ( 6.253 -4.844 -2.624) 8.334 8.051 ( 7.783 3.540 4.133) 9.496 9.385 ( 12.040 7.716 6.208) 15.590 9.733 ( -10.581 -0.946 -10.578) 14.992 10.027 ( -3.743 -4.261 0.797) 5.728 12.788 ( -0.936 -0.259 -2.749) 2.916 14.157 ( -9.355 4.001 18.241) 20.887 15.711 ( 15.592 18.620 -11.313) 26.792 17.030 ( 1.684 0.488 3.435) 3.857 17.318 ( 1.246 -1.910 0.331) 2.304 17.785 ( 1.357 -11.356 -3.928) 12.093 18.380 ( -7.441 0.013 -3.877) 8.391 18.841 ( -1.251 -0.121 0.544) 1.370 ======================= Grid point 72 (25/150) ======================= q-point: ( 0.38 0.00 0.12) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( 23.591 -8.359 -1.102) 25.052 1.827 ( 12.123 -5.765 11.496) 17.673 1.991 ( -2.620 -0.906 -3.426) 4.407 2.233 ( 1.272 3.606 -1.811) 4.231 2.531 ( -7.223 3.224 5.628) 9.707 2.657 ( 9.963 2.183 -4.949) 11.337 2.891 ( 1.180 -6.575 -4.295) 7.941 2.996 ( 6.329 -0.905 -1.858) 6.658 3.095 ( 4.603 -4.253 2.220) 6.649 3.280 ( 2.860 -2.792 -0.863) 4.089 3.498 ( -1.206 5.008 4.815) 7.051 3.605 ( 1.410 1.135 13.802) 13.920 3.707 ( 3.553 2.426 6.429) 7.736 3.769 ( -0.001 -5.871 -0.508) 5.893 4.051 ( -5.814 1.014 -3.887) 7.067 4.153 ( -5.561 5.109 -1.183) 7.644 4.205 ( 0.903 -2.319 2.826) 3.765 4.496 ( 0.176 2.577 -2.942) 3.915 4.627 ( 2.108 -2.885 1.401) 3.838 4.907 ( -4.825 0.737 -6.305) 7.973 5.133 ( 4.579 1.520 -1.051) 4.938 5.192 ( -10.214 -1.008 -7.699) 12.830 5.514 ( -1.862 -3.197 -1.829) 4.127 5.959 ( -5.211 2.150 -3.759) 6.776 6.113 ( 0.625 1.329 -3.144) 3.471 6.772 ( -3.791 0.453 7.895) 8.770 6.892 ( -1.318 1.643 6.550) 6.881 7.353 ( -4.973 0.263 0.151) 4.982 7.443 ( -2.020 -0.305 -2.114) 2.940 7.813 ( 2.665 -1.314 -7.668) 8.223 8.183 ( 7.722 1.755 7.033) 10.591 9.481 ( -10.299 -1.306 -14.899) 18.159 9.603 ( 11.147 1.233 8.580) 14.121 9.985 ( -4.536 -0.079 3.672) 5.837 12.771 ( -0.113 -0.226 -3.425) 3.435 14.035 ( -6.497 3.466 14.066) 15.877 15.746 ( 9.401 7.088 -12.490) 17.164 17.053 ( -0.336 0.193 3.904) 3.924 17.354 ( 0.111 -1.954 0.301) 1.980 17.918 ( 3.843 -5.957 -2.166) 7.413 18.242 ( -5.948 0.652 -3.471) 6.917 18.807 ( -1.144 2.228 0.990) 2.693 ======================= Grid point 73 (26/150) ======================= q-point: (-0.50 0.00 0.12) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( -7.492 9.947 -6.774) 14.177 2.042 ( 12.305 -6.377 1.821) 13.978 2.125 ( -11.663 5.547 0.705) 12.934 2.203 ( 11.046 -1.601 9.235) 14.487 2.370 ( -4.638 -4.069 0.420) 6.184 2.849 ( 8.895 -3.919 -3.288) 10.261 2.923 ( -4.900 -4.767 -7.018) 9.798 3.032 ( -6.799 -0.433 3.620) 7.714 3.104 ( 6.768 3.110 0.182) 7.451 3.313 ( -1.414 -1.551 -1.782) 2.753 3.444 ( -4.217 4.906 -0.356) 6.479 3.587 ( -5.160 -2.159 8.734) 10.371 3.631 ( -2.317 4.859 1.164) 5.507 3.871 ( -0.590 11.760 1.219) 11.838 4.053 ( 5.802 -11.369 4.198) 13.437 4.090 ( -0.269 0.192 2.561) 2.582 4.277 ( 1.406 -0.978 2.971) 3.429 4.469 ( -0.147 1.159 -0.968) 1.517 4.665 ( -2.488 -2.624 1.619) 3.962 4.873 ( 5.771 -0.557 -3.240) 6.642 5.029 ( -3.911 -0.827 -8.471) 9.367 5.199 ( 4.841 1.914 -1.945) 5.558 5.510 ( -0.412 0.515 -2.190) 2.288 5.915 ( 3.034 -1.792 -0.117) 3.525 6.097 ( 1.674 2.712 -3.289) 4.580 6.726 ( -4.541 -0.654 5.157) 6.902 6.916 ( 2.059 -0.439 8.639) 8.892 7.279 ( -3.275 -0.696 -1.820) 3.811 7.407 ( -1.352 -0.468 -2.872) 3.209 7.790 ( -0.026 2.985 -9.891) 10.332 8.301 ( 2.614 -0.144 7.944) 8.364 9.233 ( -12.506 -3.978 -17.652) 21.996 9.853 ( 11.337 -1.465 7.236) 13.529 9.912 ( -2.676 3.580 5.751) 7.284 12.760 ( 0.142 -0.288 -4.058) 4.070 13.966 ( -3.273 1.882 11.634) 12.231 15.771 ( 1.913 -1.752 -12.620) 12.883 17.043 ( -1.982 0.188 3.546) 4.067 17.364 ( -1.529 -1.806 0.155) 2.371 18.009 ( 2.628 1.820 -0.977) 3.343 18.161 ( -0.394 -1.306 -3.740) 3.981 18.767 ( 0.300 3.733 0.239) 3.753 ======================= Grid point 74 (27/150) ======================= q-point: (-0.38 0.00 0.12) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( -11.047 16.063 -5.473) 20.249 1.713 ( -20.444 10.709 -4.294) 23.475 2.148 ( -3.085 2.375 6.543) 7.614 2.389 ( 2.727 -7.686 -5.782) 9.997 2.434 ( -2.849 -1.900 7.767) 8.488 2.751 ( -10.130 0.483 -2.990) 10.573 2.897 ( -8.420 -1.872 -0.480) 8.639 3.047 ( -0.788 -0.518 1.334) 1.634 3.123 ( 2.663 2.503 1.840) 4.091 3.176 ( -7.407 3.119 5.303) 9.629 3.360 ( -1.203 -0.840 0.690) 1.622 3.514 ( -5.132 -2.014 5.285) 7.637 3.672 ( 2.436 1.635 2.468) 3.834 3.805 ( 3.089 -0.659 -1.712) 3.592 4.131 ( 8.006 4.956 1.967) 9.620 4.182 ( -2.562 5.735 4.132) 7.518 4.296 ( 0.901 -6.520 2.029) 6.888 4.512 ( 6.435 -4.188 -2.362) 8.033 4.577 ( -10.258 -2.440 0.435) 10.553 4.942 ( 3.827 0.928 -9.254) 10.057 5.133 ( 10.178 -2.597 2.099) 10.712 5.243 ( 4.935 2.695 -4.284) 7.069 5.524 ( 5.491 0.763 -3.136) 6.370 6.022 ( 4.409 -0.068 -5.644) 7.162 6.127 ( 6.999 1.087 1.073) 7.163 6.691 ( -2.727 -0.877 9.330) 9.760 6.990 ( -0.824 -1.982 7.926) 8.212 7.244 ( -0.748 -0.871 -2.847) 3.070 7.409 ( 2.785 -1.287 -2.119) 3.728 7.689 ( -1.789 4.908 -9.030) 10.432 8.317 ( -3.859 -0.061 5.719) 6.899 9.030 ( -11.732 -9.509 -16.383) 22.282 9.843 ( 1.124 6.566 -0.096) 6.662 10.078 ( 7.462 -1.472 9.284) 12.002 12.752 ( 0.493 -0.396 -5.363) 5.401 13.969 ( -0.413 -0.024 12.893) 12.899 15.751 ( -7.054 -10.866 -12.668) 18.119 17.011 ( -2.658 0.144 2.708) 3.797 17.343 ( -2.833 -1.305 -0.238) 3.128 17.968 ( 0.249 5.996 0.310) 6.009 18.218 ( 6.997 2.261 -6.148) 9.585 18.733 ( 1.169 4.726 -0.711) 4.920 ======================= Grid point 75 (28/150) ======================= q-point: (-0.25 0.00 0.12) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( -13.773 18.884 -1.814) 23.443 1.157 ( -20.718 19.366 -7.878) 29.434 1.953 ( -30.176 1.249 10.630) 32.018 2.151 ( -9.349 6.329 6.918) 13.241 2.468 ( -3.000 -3.340 -1.108) 4.624 2.635 ( -10.577 -1.577 1.447) 10.791 2.768 ( 3.132 3.593 -3.986) 6.213 2.970 ( -3.093 -0.361 -1.282) 3.367 3.067 ( -4.395 1.100 1.935) 4.926 3.276 ( 2.941 -2.959 11.875) 12.586 3.326 ( -2.896 0.116 1.682) 3.350 3.511 ( 0.737 -3.388 -1.507) 3.780 3.695 ( 2.999 3.035 0.667) 4.319 3.846 ( -1.247 3.034 -0.203) 3.287 4.073 ( 1.318 2.846 0.522) 3.180 4.206 ( -1.004 2.991 1.362) 3.437 4.404 ( -1.452 -3.489 2.103) 4.325 4.458 ( 1.292 -6.017 3.917) 7.296 4.727 ( 10.005 -3.384 -2.016) 10.753 5.006 ( 5.809 -1.856 -6.204) 8.700 5.272 ( 4.837 1.667 0.992) 5.211 5.308 ( 5.979 -0.164 -1.228) 6.106 5.624 ( 7.302 -0.931 -14.024) 15.838 6.053 ( 4.464 1.733 -4.498) 6.570 6.247 ( 8.017 4.400 -2.969) 9.615 6.743 ( 1.671 -1.325 16.381) 16.519 6.968 ( -4.875 0.531 7.463) 8.930 7.232 ( -1.080 -1.379 -2.394) 2.967 7.513 ( 1.486 -1.738 -4.669) 5.199 7.592 ( 4.388 3.651 -0.925) 5.783 8.243 ( -5.064 -0.770 3.752) 6.350 8.902 ( -14.721 -17.139 -13.003) 26.068 9.797 ( 5.885 11.540 -5.446) 14.052 10.207 ( 2.181 -0.729 7.048) 7.414 12.748 ( 1.392 -0.130 -6.778) 6.921 14.053 ( 2.312 -2.090 19.671) 19.916 15.673 ( -18.374 -23.496 -13.687) 32.817 16.974 ( -2.510 -0.362 1.875) 3.154 17.298 ( -2.972 -0.527 -0.556) 3.070 17.927 ( 3.563 7.421 2.939) 8.741 18.238 ( 9.485 16.126 -15.221) 24.118 18.699 ( 0.795 3.648 -0.146) 3.736 ======================= Grid point 76 (29/150) ======================= q-point: (-0.12 0.00 0.12) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.532 ( -15.724 15.736 3.637) 22.540 0.580 ( -3.465 29.924 10.410) 31.872 1.296 ( -43.045 3.564 26.331) 50.585 2.045 ( -2.806 2.731 2.862) 4.851 2.382 ( -6.544 0.189 1.532) 6.723 2.516 ( -3.098 0.461 -3.125) 4.424 2.790 ( 2.972 2.325 -2.351) 4.446 2.920 ( -4.694 -2.162 0.203) 5.172 3.000 ( -0.684 1.053 -0.927) 1.561 3.291 ( 6.184 12.145 -0.309) 13.632 3.359 ( -3.209 -7.468 5.669) 9.910 3.585 ( 0.091 -3.067 -1.258) 3.316 3.656 ( 0.847 6.850 0.800) 6.948 3.783 ( -2.086 2.120 1.571) 3.364 3.975 ( -15.372 1.192 -1.815) 15.524 4.166 ( 5.466 -2.591 -0.781) 6.099 4.497 ( 2.801 -6.825 2.265) 7.718 4.623 ( 8.487 1.860 0.593) 8.708 4.886 ( 4.847 -2.795 5.965) 8.179 5.095 ( 3.281 -1.685 -4.734) 6.001 5.316 ( 3.345 1.080 -1.239) 3.727 5.425 ( 5.433 -0.970 0.283) 5.526 5.719 ( 8.552 -7.245 -17.596) 20.863 6.120 ( 6.265 2.361 -1.770) 6.925 6.283 ( 7.831 9.589 -5.300) 13.467 6.806 ( -6.476 -3.796 7.334) 10.495 6.908 ( -4.006 6.116 10.556) 12.840 7.234 ( 0.547 -0.862 0.892) 1.356 7.422 ( -2.459 1.768 -7.199) 7.810 7.741 ( 6.443 -1.585 2.860) 7.225 8.298 ( 8.776 -1.291 10.040) 13.397 8.778 ( -22.833 -31.320 -3.846) 38.949 9.704 ( 8.217 24.423 -12.216) 28.517 10.216 ( -3.406 0.726 3.380) 4.853 12.769 ( 4.512 0.308 -4.424) 6.327 14.313 ( 15.946 -5.621 32.837) 36.934 15.531 ( -36.119 -46.109 -13.108) 60.020 16.950 ( -2.375 -1.872 1.134) 3.229 17.257 ( -1.477 0.140 -0.381) 1.531 17.948 ( -7.050 14.167 -17.479) 23.578 17.993 ( 24.701 42.041 -2.561) 48.827 18.684 ( -0.136 0.784 0.681) 1.047 ======================= Grid point 78 (30/150) ======================= q-point: ( 0.12 0.12 0.12) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( 28.875 0.000 0.377) 28.877 1.235 ( 20.778 0.000 19.067) 28.201 1.954 ( 0.514 0.000 -0.083) 0.521 2.266 ( 33.470 0.000 22.757) 40.474 2.472 ( -4.953 -0.000 -9.723) 10.912 2.521 ( 8.074 0.000 1.023) 8.139 2.693 ( 11.604 0.000 1.947) 11.766 2.786 ( -3.509 -0.000 -0.593) 3.559 2.902 ( 3.616 0.000 -4.000) 5.393 3.275 ( -4.227 -0.000 -3.546) 5.518 3.433 ( 10.955 0.000 5.358) 12.195 3.484 ( 2.742 0.000 1.848) 3.306 3.770 ( -3.093 -0.000 8.575) 9.116 3.794 ( -1.232 -0.000 -0.179) 1.245 4.152 ( -15.893 -0.000 -4.939) 16.643 4.324 ( -8.558 -0.000 5.296) 10.064 4.387 ( 8.526 0.000 1.548) 8.665 4.462 ( -0.204 -0.000 1.941) 1.951 4.549 ( -2.920 -0.000 -9.688) 10.119 5.089 ( -3.017 -0.000 -3.530) 4.643 5.203 ( -6.844 -0.000 -4.206) 8.033 5.248 ( -6.002 -0.000 -1.476) 6.181 5.555 ( -3.278 -0.000 -11.867) 12.311 6.000 ( -1.957 -0.000 -4.313) 4.736 6.198 ( -3.627 -0.000 -0.337) 3.643 6.841 ( -4.702 -0.000 11.037) 11.997 6.905 ( 4.128 0.000 4.788) 6.322 7.424 ( 1.673 0.000 3.915) 4.258 7.530 ( -11.797 -0.000 -0.409) 11.804 7.654 ( 7.489 0.000 -3.845) 8.418 8.098 ( 7.607 0.000 5.375) 9.314 9.513 ( 5.344 0.000 -1.695) 5.607 9.722 ( -9.774 -0.000 -9.344) 13.522 9.946 ( -0.304 -0.000 4.289) 4.300 12.785 ( -0.819 -0.000 -2.909) 3.022 14.204 ( -10.351 -0.000 18.583) 21.271 16.027 ( 3.980 0.000 -21.450) 21.817 17.063 ( 1.621 0.000 4.417) 4.705 17.233 ( -1.318 -0.000 0.034) 1.319 17.615 ( 9.267 0.000 -0.168) 9.269 18.381 ( -6.875 -0.000 -3.207) 7.586 18.839 ( 0.678 0.000 3.108) 3.181 ======================= Grid point 79 (31/150) ======================= q-point: ( 0.25 0.12 0.12) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( 24.724 -3.025 -0.991) 24.929 1.680 ( 17.617 -4.834 16.063) 24.326 1.995 ( 3.623 0.398 1.240) 3.850 2.348 ( -0.777 4.342 -5.885) 7.355 2.592 ( -6.545 2.136 5.887) 9.059 2.710 ( 7.432 1.655 -4.334) 8.761 2.760 ( 6.493 -4.025 -4.169) 8.703 2.972 ( 10.174 -1.013 -1.577) 10.345 3.018 ( 11.642 -1.880 3.529) 12.309 3.205 ( -2.030 -1.955 -1.989) 3.450 3.529 ( 0.930 -4.500 1.886) 4.967 3.597 ( -1.274 -0.774 10.785) 10.888 3.690 ( -2.751 6.520 4.371) 8.318 3.827 ( 5.853 -2.846 1.021) 6.587 3.938 ( -4.162 -1.566 2.928) 5.324 4.183 ( -7.901 0.009 2.613) 8.322 4.343 ( -4.621 7.444 -3.773) 9.539 4.474 ( -4.128 -4.018 -5.200) 7.761 4.631 ( 11.006 1.089 0.778) 11.087 4.946 ( -7.560 2.483 -2.300) 8.283 5.108 ( -3.091 -2.666 -5.035) 6.482 5.209 ( 0.022 1.648 -2.297) 2.827 5.433 ( -6.428 -2.699 -3.959) 8.017 5.948 ( -4.055 -1.492 -3.688) 5.681 6.156 ( 0.726 1.483 -1.837) 2.470 6.776 ( -5.400 0.024 7.427) 9.182 6.960 ( 1.287 2.846 5.786) 6.576 7.336 ( -9.710 -1.342 -1.021) 9.856 7.436 ( -1.465 0.033 0.866) 1.702 7.756 ( 4.834 -2.095 -7.838) 9.444 8.250 ( 7.810 2.355 7.654) 11.186 9.472 ( -12.569 0.185 -14.756) 19.384 9.625 ( 8.723 0.615 1.088) 8.812 9.967 ( -1.580 -0.899 8.585) 8.775 12.768 ( 0.142 -0.037 -3.683) 3.686 14.093 ( -8.437 1.430 15.452) 17.663 15.936 ( 1.176 6.961 -18.338) 19.650 17.073 ( -0.475 1.680 5.046) 5.339 17.249 ( -1.872 -5.710 -0.160) 6.011 17.818 ( 11.127 -2.383 -0.516) 11.392 18.252 ( -6.072 0.250 -3.725) 7.128 18.848 ( -0.095 1.153 3.656) 3.834 ======================= Grid point 80 (32/150) ======================= q-point: ( 0.38 0.12 0.12) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( 15.672 -4.145 -0.196) 16.212 1.945 ( 3.404 3.806 3.958) 6.461 2.105 ( 7.321 -3.118 0.968) 8.016 2.308 ( -0.953 6.961 6.066) 9.283 2.352 ( -9.868 2.817 3.021) 10.698 2.772 ( -0.952 -2.599 -10.233) 10.601 2.849 ( 2.350 -2.024 -7.286) 7.919 2.988 ( -3.610 -1.438 0.599) 3.932 3.153 ( 4.458 1.019 0.981) 4.677 3.226 ( 0.713 -4.629 -3.070) 5.600 3.561 ( -3.449 5.328 3.013) 7.025 3.570 ( -4.612 0.660 11.825) 12.710 3.748 ( 1.994 -4.678 3.387) 6.109 3.840 ( -2.586 -0.055 0.404) 2.618 4.006 ( -0.480 -5.367 3.877) 6.638 4.141 ( 1.398 9.389 -2.903) 9.926 4.232 ( 4.898 -1.363 8.227) 9.671 4.423 ( -3.346 -3.080 -3.555) 5.772 4.727 ( 2.940 4.690 -0.255) 5.541 4.859 ( 2.972 0.037 -1.344) 3.262 5.023 ( -4.725 -0.306 -9.427) 10.549 5.226 ( 4.734 1.040 -0.773) 4.908 5.430 ( 0.282 -6.391 -0.989) 6.473 5.880 ( -2.887 -1.313 -1.197) 3.390 6.168 ( 3.973 3.011 -2.884) 5.759 6.719 ( -3.981 -0.011 4.322) 5.876 6.950 ( 0.163 2.984 7.799) 8.352 7.231 ( -4.932 -3.494 -2.169) 6.422 7.394 ( -2.865 -0.248 -1.117) 3.085 7.797 ( 1.165 -1.463 -10.162) 10.333 8.356 ( 4.123 3.797 9.493) 11.024 9.176 ( -14.530 -1.277 -18.014) 23.178 9.811 ( 9.821 -2.024 2.056) 10.236 9.973 ( -0.515 1.852 9.632) 9.822 12.759 ( 0.311 0.069 -3.769) 3.782 14.004 ( -5.641 1.317 12.499) 13.776 15.796 ( -3.907 2.948 -14.851) 15.637 17.056 ( -1.678 0.954 4.010) 4.451 17.273 ( -2.590 -5.271 -0.036) 5.873 18.033 ( 11.413 0.346 -0.585) 11.433 18.143 ( -3.892 -0.279 -4.014) 5.598 18.845 ( 1.107 2.802 2.502) 3.916 ======================= Grid point 81 (33/150) ======================= q-point: (-0.50 0.12 0.12) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( -5.513 17.013 -1.335) 17.933 1.953 ( -16.238 8.315 2.472) 18.410 2.099 ( -6.865 -5.507 0.692) 8.828 2.210 ( 4.990 -7.630 -5.424) 10.608 2.489 ( 8.779 6.165 9.761) 14.504 2.675 ( -5.973 -5.725 -4.944) 9.638 2.870 ( -2.024 -0.002 -2.767) 3.428 2.997 ( 1.385 -2.036 1.622) 2.948 3.153 ( -2.863 0.041 4.164) 5.054 3.286 ( -3.196 -2.842 3.093) 5.278 3.329 ( -13.115 5.410 -1.702) 14.289 3.547 ( -3.762 2.724 9.026) 10.151 3.691 ( 5.209 1.301 0.923) 5.448 3.844 ( -7.985 0.846 -4.057) 8.996 4.072 ( 6.659 -7.843 3.909) 11.006 4.157 ( 1.867 1.171 3.554) 4.181 4.311 ( -0.582 -0.256 -0.048) 0.637 4.426 ( 4.549 -0.363 0.667) 4.612 4.687 ( -1.122 8.466 -0.607) 8.562 4.938 ( 0.437 -0.827 -8.594) 8.645 5.046 ( 11.305 -5.048 -0.218) 12.383 5.288 ( 3.922 1.168 -3.570) 5.431 5.519 ( 4.919 -1.748 -3.191) 6.118 5.929 ( 3.858 -6.308 -1.103) 7.476 6.201 ( 6.207 4.640 -1.966) 7.996 6.674 ( -3.023 -0.318 7.662) 8.243 6.974 ( -0.299 -0.159 7.388) 7.396 7.211 ( -0.522 -2.545 -3.314) 4.211 7.361 ( -0.788 -2.043 -0.605) 2.271 7.755 ( -1.805 0.775 -10.034) 10.225 8.365 ( -2.272 4.168 8.900) 10.086 8.879 ( -14.361 -4.070 -17.789) 23.221 9.948 ( 3.776 2.336 0.165) 4.443 10.041 ( 6.286 -0.985 8.827) 10.881 12.750 ( 0.710 0.205 -4.163) 4.228 13.968 ( -2.666 -0.019 11.808) 12.105 15.611 ( -11.394 -2.276 -11.569) 16.397 17.025 ( -1.921 0.945 2.376) 3.198 17.276 ( -2.861 -3.894 -0.007) 4.832 18.035 ( -3.118 1.082 -2.259) 3.999 18.263 ( 13.198 1.276 -2.467) 13.487 18.843 ( 2.510 4.419 0.488) 5.105 ======================= Grid point 82 (34/150) ======================= q-point: (-0.38 0.12 0.12) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( -13.745 18.342 -1.328) 22.959 1.598 ( -13.387 14.197 6.189) 20.471 1.948 ( -14.273 -2.607 -2.116) 14.663 2.285 ( -5.643 3.559 2.091) 6.991 2.402 ( -7.395 0.102 1.270) 7.504 2.653 ( -6.788 3.697 3.600) 8.527 2.835 ( 5.869 2.056 -1.069) 6.309 2.973 ( -9.586 0.873 -0.752) 9.655 3.048 ( -2.689 -1.382 3.467) 4.600 3.192 ( 2.427 -1.507 4.840) 5.620 3.289 ( -4.029 -3.878 5.767) 8.033 3.537 ( 2.501 2.973 1.765) 4.268 3.727 ( -0.711 -2.186 -0.786) 2.429 3.840 ( 5.508 0.024 -4.367) 7.030 4.107 ( -10.218 -3.690 5.017) 11.967 4.161 ( -2.553 -3.486 3.330) 5.455 4.416 ( 6.684 1.373 -2.199) 7.169 4.488 ( 3.886 9.927 2.044) 10.855 4.630 ( 9.198 -3.051 -2.966) 10.135 4.959 ( 3.048 -2.179 -5.969) 7.047 5.250 ( 4.317 -4.459 1.099) 6.303 5.318 ( 2.921 0.857 -4.172) 5.165 5.627 ( 8.535 0.752 -10.241) 13.353 6.048 ( 3.253 -3.619 -6.491) 8.112 6.307 ( 10.803 2.243 0.293) 11.038 6.689 ( -1.562 -1.821 11.909) 12.148 6.978 ( -2.133 -1.066 7.510) 7.879 7.212 ( -0.505 -0.607 -2.208) 2.345 7.437 ( 3.686 -4.372 0.506) 5.741 7.666 ( -1.466 2.282 -6.292) 6.852 8.258 ( -6.796 2.667 4.290) 8.468 8.644 ( -13.841 -6.465 -11.033) 18.844 9.983 ( 6.604 5.683 -2.548) 9.077 10.176 ( 3.248 -1.842 5.022) 6.258 12.752 ( 1.958 0.467 -4.775) 5.182 14.002 ( -0.492 -2.226 14.934) 15.107 15.355 ( -19.486 -6.465 -8.365) 22.169 16.989 ( -1.328 1.247 0.718) 1.958 17.262 ( -2.567 -2.281 0.088) 3.435 17.976 ( -1.891 0.337 -0.988) 2.160 18.465 ( 14.139 3.660 -4.694) 15.341 18.833 ( 3.884 6.607 -2.852) 8.177 ======================= Grid point 83 (35/150) ======================= q-point: (-0.25 0.12 0.12) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( -7.648 21.173 5.999) 23.297 1.186 ( -19.372 14.595 13.997) 28.004 1.573 ( -14.324 23.304 5.805) 27.963 2.066 ( -9.459 -1.586 3.763) 10.303 2.321 ( -9.225 -3.555 8.774) 13.218 2.581 ( 4.614 3.788 -5.297) 7.981 2.875 ( -4.947 -1.830 0.477) 5.296 2.905 ( 5.953 6.946 -6.799) 11.397 2.986 ( -3.844 -0.460 0.046) 3.872 3.221 ( -2.306 -2.839 8.135) 8.920 3.395 ( 3.671 -7.479 4.862) 9.646 3.554 ( 4.927 4.628 -2.499) 7.207 3.750 ( -0.596 -1.628 -2.366) 2.934 3.862 ( -0.005 2.001 -5.128) 5.505 3.969 ( -11.799 -1.716 2.249) 12.133 4.123 ( -1.146 0.459 4.801) 4.957 4.407 ( 1.929 -0.071 -2.191) 2.920 4.614 ( 9.291 0.864 2.895) 9.770 4.838 ( 7.232 -2.719 -2.477) 8.114 5.032 ( 3.104 -3.422 -4.212) 6.252 5.322 ( -0.400 -4.598 -4.046) 6.138 5.357 ( 2.421 -0.816 1.843) 3.151 5.686 ( 6.361 2.429 -16.501) 17.851 6.111 ( 3.659 -1.868 -3.936) 5.689 6.474 ( 12.832 5.278 -2.906) 14.176 6.705 ( -5.225 -4.135 7.578) 10.091 6.984 ( -5.573 -1.155 9.673) 11.223 7.213 ( 0.799 -0.720 0.812) 1.348 7.466 ( -0.265 1.061 -4.910) 5.031 7.686 ( 3.248 -2.364 0.069) 4.018 8.215 ( 1.582 -4.226 12.558) 13.344 8.415 ( -15.985 -3.594 -4.056) 16.879 10.027 ( 8.739 7.463 -9.488) 14.902 10.224 ( -0.782 -0.483 1.855) 2.070 12.780 ( 4.114 0.637 -4.034) 5.797 14.136 ( 3.007 -7.605 24.750) 26.066 15.009 ( -25.204 -6.449 -4.174) 26.349 16.959 ( -0.324 1.448 -0.317) 1.518 17.245 ( -1.352 -0.968 0.453) 1.723 17.953 ( -0.808 -0.306 -0.302) 0.915 18.619 ( 10.001 4.055 -7.473) 13.126 18.814 ( 8.731 11.384 -10.385) 17.711 ======================= Grid point 84 (36/150) ======================= q-point: (-0.12 0.12 0.12) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.691 ( -21.293 9.438 24.392) 33.726 0.796 ( 4.786 20.480 15.086) 25.883 1.244 ( 13.765 31.410 23.614) 41.637 2.014 ( -1.956 -1.556 0.916) 2.662 2.265 ( -3.720 -4.380 4.096) 7.057 2.580 ( 2.395 7.850 -1.565) 8.355 2.798 ( -5.263 -1.305 -3.423) 6.412 2.849 ( 2.062 3.386 -6.005) 7.195 3.002 ( 1.625 -2.444 -0.535) 2.983 3.245 ( -3.532 -1.667 2.259) 4.512 3.435 ( -10.912 4.105 -6.003) 13.113 3.619 ( 5.306 3.025 -3.027) 6.817 3.689 ( 6.330 4.642 -2.142) 8.137 3.782 ( 0.629 0.968 0.846) 1.431 3.853 ( -2.915 -0.135 5.047) 5.830 4.222 ( 4.658 -4.792 4.905) 8.290 4.430 ( -2.192 -5.559 0.674) 6.014 4.714 ( -0.221 -0.177 -7.428) 7.434 4.873 ( -3.875 -1.392 1.052) 4.249 5.089 ( 1.021 -2.679 -4.388) 5.242 5.375 ( 1.682 -4.820 -3.094) 5.969 5.402 ( -2.669 -5.719 -1.345) 6.453 5.687 ( 2.231 1.954 -12.774) 13.113 6.180 ( 1.269 -1.987 -0.569) 2.425 6.557 ( -11.262 6.605 -16.230) 20.830 6.651 ( 7.632 3.411 8.082) 11.627 6.811 ( -5.946 2.833 4.787) 8.142 7.267 ( 2.929 -1.024 3.772) 4.884 7.483 ( 5.813 4.247 -1.464) 7.346 7.768 ( 0.069 -6.630 4.756) 8.160 8.085 ( -19.214 -1.409 5.168) 19.946 8.676 ( 24.534 -17.228 21.596) 36.947 10.010 ( 4.251 9.070 -15.739) 18.657 10.170 ( -3.463 3.606 -3.016) 5.839 12.839 ( 2.163 -0.546 -1.533) 2.707 14.507 ( -19.516 -25.942 32.926) 46.239 14.762 ( 22.812 -5.308 7.771) 24.677 16.948 ( 1.134 1.255 -0.220) 1.706 17.248 ( 0.721 -0.302 0.901) 1.193 17.903 ( -3.196 5.709 -5.201) 8.358 18.634 ( -0.775 2.501 -7.343) 7.796 18.805 ( 13.064 15.651 -19.151) 27.971 ======================= Grid point 87 (37/150) ======================= q-point: ( 0.25 0.25 0.12) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( 17.725 0.000 -0.578) 17.735 1.921 ( 5.672 0.000 8.832) 10.496 2.131 ( 6.885 0.000 0.372) 6.895 2.397 ( 6.513 0.000 6.368) 9.109 2.403 ( -14.935 -0.000 4.991) 15.747 2.738 ( -6.935 -0.000 -16.400) 17.806 2.827 ( 5.355 0.000 -6.704) 8.580 2.985 ( -1.875 -0.000 -2.157) 2.858 3.163 ( 1.300 0.000 -1.357) 1.879 3.165 ( 4.109 0.000 2.231) 4.675 3.562 ( -3.536 -0.000 13.433) 13.890 3.632 ( 8.705 0.000 6.412) 10.812 3.679 ( -6.214 -0.000 -1.594) 6.416 3.784 ( -5.027 -0.000 2.358) 5.553 4.019 ( -8.638 -0.000 0.199) 8.640 4.164 ( 17.327 0.000 10.779) 20.406 4.302 ( -7.789 -0.000 0.379) 7.799 4.363 ( 2.787 0.000 -9.654) 10.048 4.826 ( 8.945 0.000 -0.353) 8.952 4.840 ( -5.958 -0.000 0.410) 5.972 5.009 ( -2.956 -0.000 -8.547) 9.044 5.260 ( 2.869 0.000 -1.402) 3.193 5.317 ( 0.129 0.000 0.717) 0.728 5.862 ( -3.592 -0.000 -1.896) 4.061 6.206 ( 4.759 0.000 -2.921) 5.583 6.720 ( -3.445 -0.000 4.299) 5.509 7.005 ( -1.142 -0.000 5.050) 5.178 7.169 ( -6.411 -0.000 0.339) 6.420 7.393 ( -3.317 -0.000 -0.555) 3.363 7.774 ( 2.273 0.000 -10.577) 10.818 8.408 ( 4.323 0.000 9.728) 10.646 9.164 ( -15.228 -0.000 -17.687) 23.339 9.783 ( 9.252 0.000 -0.063) 9.252 9.994 ( 0.377 0.000 10.902) 10.908 12.760 ( 0.435 0.000 -3.684) 3.710 14.019 ( -6.617 -0.000 12.804) 14.413 15.842 ( -7.105 -0.000 -16.763) 18.206 17.076 ( -2.325 -0.000 5.006) 5.520 17.193 ( -0.806 -0.000 0.358) 0.882 18.035 ( 14.012 0.000 -0.960) 14.045 18.141 ( -5.079 -0.000 -3.986) 6.456 18.879 ( 1.219 0.000 3.359) 3.574 ======================= Grid point 88 (38/150) ======================= q-point: (-0.62 0.25 0.12) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( -19.947 -6.486 2.104) 21.080 2.099 ( 9.450 -1.015 -0.307) 9.510 2.129 ( -8.043 8.787 7.892) 14.289 2.188 ( 2.768 7.320 -4.174) 8.869 2.500 ( -10.379 -7.536 -12.662) 18.023 2.636 ( 13.833 3.599 10.150) 17.531 2.896 ( 4.456 1.844 -4.166) 6.372 2.968 ( -2.576 -0.834 0.679) 2.791 3.143 ( -7.687 -2.517 11.417) 13.992 3.192 ( 0.630 -0.880 -0.892) 1.402 3.468 ( -11.350 5.698 0.106) 12.700 3.566 ( -5.243 -1.796 9.802) 11.260 3.655 ( -7.492 -4.021 -2.471) 8.855 3.864 ( 7.786 1.217 -3.270) 8.532 3.931 ( 2.654 -2.764 2.556) 4.606 4.179 ( -5.759 -1.429 3.241) 6.761 4.360 ( 6.423 5.013 -8.597) 11.844 4.492 ( 9.220 4.726 8.585) 13.455 4.766 ( -0.620 -3.252 0.166) 3.314 4.920 ( -0.009 -0.354 -5.378) 5.389 4.959 ( 3.628 -1.033 -4.701) 6.027 5.300 ( 2.751 0.137 -2.663) 3.831 5.461 ( 11.397 -2.154 -1.676) 11.719 5.824 ( -0.795 -2.358 -0.372) 2.516 6.287 ( 7.101 2.355 -3.349) 8.197 6.677 ( -3.093 0.346 6.000) 6.759 6.970 ( -3.880 -0.163 4.295) 5.790 7.143 ( 0.916 -2.408 0.025) 2.576 7.335 ( -2.826 -0.409 0.178) 2.861 7.753 ( -0.188 -0.292 -10.844) 10.850 8.455 ( -2.008 2.660 10.568) 11.081 8.828 ( -15.184 -0.896 -18.009) 23.573 9.946 ( 8.024 -0.986 -0.178) 8.086 10.053 ( 2.908 0.898 8.755) 9.269 12.756 ( 0.888 0.197 -3.567) 3.681 13.968 ( -4.171 0.001 11.251) 11.999 15.601 ( -13.333 0.370 -12.108) 18.014 17.047 ( -1.889 0.751 2.806) 3.465 17.198 ( -0.942 -2.307 0.930) 2.659 18.046 ( -3.970 0.159 -3.253) 5.135 18.277 ( 14.061 0.171 -2.213) 14.235 18.913 ( 2.560 1.645 1.734) 3.502 ======================= Grid point 89 (39/150) ======================= q-point: (-0.50 0.25 0.12) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( -28.648 -11.150 7.339) 31.605 1.822 ( -9.988 15.011 -2.464) 18.198 2.037 ( -4.630 7.941 -1.418) 9.301 2.272 ( 3.140 -0.945 4.844) 5.850 2.480 ( -0.202 1.494 0.428) 1.567 2.725 ( -10.030 1.459 6.189) 11.876 2.861 ( 9.229 0.927 2.057) 9.500 2.967 ( -10.321 -0.707 -0.871) 10.382 3.057 ( -1.648 0.289 2.666) 3.148 3.230 ( -0.086 -0.655 5.374) 5.414 3.241 ( -3.214 5.536 -1.187) 6.511 3.531 ( -2.008 -5.178 3.587) 6.611 3.619 ( -2.571 -4.321 0.571) 5.061 3.880 ( 4.468 2.763 -2.023) 5.629 4.020 ( -5.992 -1.713 3.320) 7.061 4.210 ( -0.441 5.941 3.210) 6.767 4.341 ( 9.733 -3.448 -5.085) 11.510 4.617 ( 9.159 2.161 -1.553) 9.537 4.756 ( -0.612 7.109 -2.153) 7.453 4.921 ( 1.527 -0.236 -2.382) 2.839 5.076 ( 1.802 -10.199 -1.827) 10.517 5.326 ( 1.964 -0.035 -3.590) 4.092 5.649 ( 11.012 1.305 -8.883) 14.208 5.903 ( 3.247 -7.358 -4.028) 8.995 6.378 ( 8.600 3.524 -1.587) 9.429 6.676 ( -0.726 0.018 10.879) 10.903 6.915 ( -5.809 -3.555 3.919) 7.857 7.200 ( 1.924 -0.337 -1.555) 2.497 7.340 ( 1.098 -3.672 3.168) 4.972 7.703 ( -0.189 1.194 -8.591) 8.676 8.342 ( -9.179 3.735 4.685) 10.962 8.563 ( -10.453 -1.536 -8.781) 13.738 10.063 ( 6.171 1.332 -1.240) 6.434 10.143 ( 3.905 -0.522 4.454) 5.947 12.764 ( 2.093 0.480 -3.695) 4.273 13.961 ( -2.275 -1.276 11.780) 12.065 15.294 ( -17.125 -0.363 -7.219) 18.588 17.018 ( -0.848 1.143 0.655) 1.566 17.210 ( -1.081 -2.052 1.309) 2.664 17.978 ( -2.526 0.018 -1.754) 3.075 18.496 ( 12.114 0.249 -3.750) 12.684 18.941 ( 3.478 2.970 -0.993) 4.681 ======================= Grid point 90 (40/150) ======================= q-point: (-0.38 0.25 0.12) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( -25.224 -7.724 15.642) 30.669 1.490 ( -4.851 18.539 1.973) 19.264 1.847 ( -8.016 3.934 4.041) 9.801 2.253 ( -9.369 -3.214 12.173) 15.694 2.315 ( -4.156 20.928 0.843) 21.353 2.646 ( 3.851 1.905 -2.758) 5.106 2.816 ( -4.491 -2.684 -3.792) 6.461 2.979 ( -0.533 0.769 0.192) 0.955 3.060 ( 3.955 2.541 2.802) 5.473 3.215 ( -0.326 -4.235 4.576) 6.244 3.239 ( 1.127 1.640 3.362) 3.907 3.617 ( -1.164 -7.711 0.660) 7.827 3.654 ( 3.497 2.072 3.011) 5.059 3.836 ( -2.574 0.696 -6.151) 6.704 3.967 ( -5.080 1.083 3.045) 6.020 4.110 ( -2.246 -0.603 3.946) 4.580 4.517 ( 3.091 5.696 -6.893) 9.461 4.693 ( 5.185 3.398 1.764) 6.445 4.746 ( 9.153 -2.013 -4.545) 10.416 4.960 ( 1.685 -2.618 -2.568) 4.036 5.154 ( -4.565 -9.065 -2.263) 10.398 5.354 ( 1.942 -0.603 -2.108) 2.929 5.753 ( 8.502 2.842 -16.512) 18.789 6.021 ( 3.425 -6.732 -6.937) 10.255 6.508 ( 7.890 -0.232 0.164) 7.895 6.685 ( -1.888 1.178 8.564) 8.848 6.890 ( -6.845 -5.337 8.838) 12.388 7.209 ( 0.747 0.506 0.348) 0.967 7.429 ( 1.771 -4.045 0.466) 4.440 7.680 ( 2.111 1.555 -5.890) 6.448 8.195 ( -4.396 1.480 7.023) 8.417 8.397 ( -6.754 0.461 0.084) 6.770 10.136 ( 5.769 2.735 -5.285) 8.288 10.201 ( 0.327 -0.970 1.182) 1.564 12.794 ( 3.412 0.487 -3.557) 4.953 14.008 ( -1.326 -3.993 15.396) 15.960 14.980 ( -14.941 1.308 -2.895) 15.275 16.996 ( 0.127 1.623 -0.584) 1.730 17.218 ( -0.660 -1.311 1.704) 2.249 17.947 ( -0.709 -0.172 -0.118) 0.739 18.644 ( 6.057 0.188 -4.756) 7.703 18.967 ( 5.105 3.137 -6.097) 8.548 ======================= Grid point 91 (41/150) ======================= q-point: (-0.25 0.25 0.12) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( -17.073 6.564 20.706) 27.628 1.291 ( 6.196 21.810 9.193) 24.466 1.814 ( 1.148 -7.975 3.583) 8.819 2.008 ( 3.791 28.666 8.905) 30.256 2.207 ( -4.203 -2.127 7.925) 9.219 2.718 ( 5.434 3.830 -6.407) 9.233 2.756 ( -2.917 -1.986 -4.377) 5.623 2.909 ( -5.007 0.313 3.003) 5.847 3.062 ( 0.657 6.014 0.222) 6.054 3.246 ( 2.141 3.743 4.870) 6.505 3.317 ( -3.200 -7.860 2.481) 8.841 3.627 ( 3.263 -4.793 -1.333) 5.950 3.738 ( 3.004 0.024 -0.630) 3.069 3.817 ( -2.606 1.000 -0.275) 2.805 3.854 ( -2.061 -0.273 -1.619) 2.635 4.138 ( 0.317 -2.828 7.809) 8.311 4.422 ( -1.411 5.526 -6.649) 8.761 4.709 ( -0.335 1.791 -1.288) 2.231 4.876 ( -0.272 -0.801 -6.447) 6.503 5.010 ( 1.320 -4.375 -3.451) 5.726 5.156 ( -4.734 -9.984 -1.909) 11.213 5.384 ( 2.034 -0.546 -2.151) 3.010 5.764 ( 4.459 3.652 -17.483) 18.409 6.116 ( 2.452 -4.306 -6.021) 7.797 6.539 ( -10.479 -3.438 -1.645) 11.151 6.713 ( 2.796 -0.698 4.228) 5.117 6.847 ( -0.904 1.541 9.348) 9.518 7.243 ( 2.585 -0.713 2.890) 3.943 7.527 ( 4.497 -3.539 3.436) 6.675 7.666 ( 0.891 1.175 -5.213) 5.418 8.077 ( -11.895 0.720 5.143) 12.979 8.505 ( 15.964 -2.148 14.127) 21.425 10.117 ( -1.853 3.011 -8.855) 9.535 10.206 ( -0.309 -0.307 -2.724) 2.758 12.833 ( 1.877 -0.100 -2.537) 3.157 14.122 ( -3.453 -9.683 22.183) 24.449 14.803 ( 2.904 3.690 -0.017) 4.695 16.984 ( 0.984 1.767 -0.486) 2.080 17.235 ( 0.592 -0.850 2.060) 2.305 17.949 ( 0.517 0.523 0.325) 0.804 18.657 ( -1.606 0.720 -5.232) 5.520 18.984 ( 3.053 2.575 -12.186) 12.824 ======================= Grid point 92 (42/150) ======================= q-point: (-0.12 0.25 0.12) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( 12.554 11.947 10.152) 20.084 1.264 ( 12.254 19.314 10.919) 25.346 1.960 ( 11.478 9.911 13.376) 20.222 2.024 ( 15.220 7.805 6.398) 18.262 2.220 ( 1.778 -3.066 3.555) 5.020 2.603 ( -4.046 1.408 -7.304) 8.468 2.742 ( -1.967 3.319 3.132) 4.970 2.913 ( 4.615 0.551 -2.601) 5.326 2.975 ( -2.943 3.847 -3.395) 5.914 3.211 ( -3.895 2.799 -2.277) 5.309 3.345 ( 1.980 -2.902 6.905) 7.747 3.671 ( -3.760 -0.652 3.805) 5.389 3.745 ( -1.362 1.567 0.262) 2.092 3.833 ( 1.847 4.124 -2.447) 5.139 3.913 ( 10.623 -5.424 -1.115) 11.980 4.228 ( -0.555 -6.179 7.142) 9.460 4.343 ( -0.825 -0.824 -1.709) 2.069 4.593 ( -9.849 1.302 -2.456) 10.234 4.779 ( -6.130 1.302 -4.596) 7.772 5.052 ( 0.869 -2.891 -3.974) 4.991 5.148 ( -6.454 -7.080 -6.080) 11.346 5.425 ( 1.259 0.307 -0.515) 1.395 5.689 ( -1.696 3.112 -14.872) 15.288 6.151 ( -0.619 -2.415 -3.152) 4.019 6.293 ( -12.629 1.089 -7.567) 14.763 6.766 ( 0.102 -1.830 8.214) 8.416 6.897 ( 2.623 3.027 5.759) 7.015 7.329 ( 3.574 -1.515 4.310) 5.800 7.634 ( -4.569 -5.914 5.201) 9.105 7.672 ( 5.959 5.948 -0.042) 8.420 7.932 ( -1.429 -0.784 -0.063) 1.631 8.965 ( 18.901 -9.749 14.492) 25.736 9.958 ( -8.038 2.359 -10.430) 13.377 10.147 ( -3.385 2.834 -3.716) 5.771 12.825 ( -1.586 0.115 -1.729) 2.349 14.189 ( -10.044 -8.217 21.535) 25.143 15.132 ( 26.338 -12.130 0.195) 28.998 16.993 ( 1.847 1.137 1.053) 2.411 17.276 ( 2.167 -0.680 1.893) 2.957 17.921 ( -0.563 5.738 -2.729) 6.378 18.544 ( -7.109 1.194 -6.521) 9.721 18.908 ( -2.168 3.141 -8.496) 9.314 ======================= Grid point 96 (43/150) ======================= q-point: ( 0.38 -0.62 0.12) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( -31.920 -0.000 5.410) 32.375 2.054 ( -7.078 -0.000 5.656) 9.060 2.102 ( -9.429 -0.000 -8.090) 12.424 2.287 ( 2.901 0.000 0.041) 2.901 2.457 ( 11.090 0.000 8.682) 14.084 2.728 ( -20.361 -0.000 12.745) 24.021 2.881 ( 10.835 0.000 -2.086) 11.034 2.966 ( -6.461 -0.000 -4.678) 7.977 3.047 ( -4.403 -0.000 3.463) 5.601 3.236 ( 9.886 0.000 0.477) 9.897 3.380 ( -10.689 -0.000 6.020) 12.268 3.382 ( -4.916 -0.000 -0.889) 4.996 3.563 ( -1.225 -0.000 2.045) 2.383 3.908 ( 1.085 0.000 0.066) 1.087 4.067 ( -5.228 -0.000 3.488) 6.285 4.148 ( 15.594 0.000 -0.996) 15.625 4.536 ( 10.462 0.000 -9.939) 14.431 4.579 ( -9.995 -0.000 -2.822) 10.385 4.736 ( 6.450 0.000 4.425) 7.822 4.920 ( 3.067 0.000 -2.183) 3.765 4.978 ( -0.016 -0.000 -1.254) 1.254 5.324 ( 1.492 0.000 -3.457) 3.765 5.678 ( 13.619 0.000 -10.254) 17.047 5.798 ( 0.033 0.000 -0.788) 0.789 6.426 ( 8.363 0.000 -4.531) 9.512 6.675 ( -0.757 -0.000 10.770) 10.796 6.867 ( -7.178 -0.000 2.380) 7.562 7.198 ( 4.924 0.000 0.647) 4.966 7.295 ( -1.939 -0.000 2.801) 3.406 7.717 ( 0.840 0.000 -8.946) 8.985 8.388 ( -10.790 -0.000 3.923) 11.481 8.550 ( -9.001 -0.000 -7.006) 11.406 10.067 ( 6.110 0.000 -0.465) 6.128 10.146 ( 4.165 0.000 3.864) 5.681 12.770 ( 2.043 0.000 -3.371) 3.942 13.947 ( -2.878 -0.000 10.797) 11.175 15.296 ( -16.449 -0.000 -7.179) 17.947 17.033 ( -0.824 -0.000 0.692) 1.076 17.184 ( -0.252 -0.000 1.969) 1.985 17.978 ( -2.623 -0.000 -1.912) 3.246 18.497 ( 11.843 0.000 -4.109) 12.536 18.974 ( 2.653 0.000 -0.066) 2.654 ======================= Grid point 98 (44/150) ======================= q-point: (-0.50 0.38 0.12) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( -29.022 -12.669 12.507) 34.047 1.855 ( -5.453 12.885 6.953) 15.624 2.004 ( -3.872 4.121 3.221) 6.507 2.163 ( -18.747 -2.941 17.398) 25.745 2.592 ( 5.644 2.795 -0.239) 6.302 2.687 ( 8.121 -0.343 5.443) 9.783 2.761 ( -10.056 0.007 -7.833) 12.747 2.979 ( -4.994 -0.955 1.657) 5.348 3.051 ( 9.691 0.369 -2.378) 9.986 3.218 ( -4.678 3.128 1.301) 5.776 3.277 ( -2.449 -0.717 2.462) 3.546 3.487 ( 5.047 -2.520 3.566) 6.674 3.588 ( 0.268 -3.800 3.321) 5.054 3.935 ( -0.028 -2.162 -1.462) 2.610 3.983 ( -0.860 6.767 3.098) 7.492 4.261 ( -5.931 12.155 -1.077) 13.568 4.460 ( 9.981 -6.960 -3.688) 12.715 4.685 ( 3.432 -3.516 -9.393) 10.600 4.801 ( 1.088 -0.273 -2.860) 3.072 4.922 ( -3.634 -2.620 -3.995) 6.002 5.024 ( 4.081 2.230 6.914) 8.333 5.334 ( 0.921 -0.842 -3.395) 3.616 5.796 ( 7.029 0.561 -11.912) 13.843 5.852 ( 3.249 -5.575 -9.675) 11.630 6.518 ( 3.781 0.479 -7.026) 7.994 6.700 ( -2.113 0.640 10.223) 10.459 6.801 ( -2.296 -2.392 8.296) 8.934 7.243 ( 1.233 2.636 1.339) 3.204 7.326 ( 1.156 -4.446 3.132) 5.560 7.715 ( 2.709 1.005 -8.262) 8.752 8.232 ( -5.809 1.088 5.520) 8.087 8.411 ( -5.539 0.503 2.240) 5.996 10.149 ( 3.352 -0.476 -1.160) 3.579 10.207 ( 2.098 0.763 -1.601) 2.747 12.801 ( 2.862 0.159 -3.235) 4.323 13.950 ( -2.311 -1.279 11.562) 11.859 15.013 ( -11.870 1.043 -2.734) 12.225 17.024 ( 0.253 0.690 -0.682) 1.003 17.194 ( -0.191 -0.651 2.713) 2.796 17.945 ( -0.657 -0.027 -0.052) 0.659 18.645 ( 6.727 0.001 -5.921) 8.961 19.002 ( 1.644 0.533 -2.684) 3.192 ======================= Grid point 99 (45/150) ======================= q-point: (-0.38 0.38 0.12) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( -4.831 -14.405 16.954) 22.766 1.639 ( -6.438 8.317 10.491) 14.856 1.853 ( 1.867 15.635 10.735) 19.058 2.114 ( -2.722 -6.007 9.608) 11.654 2.546 ( 2.143 12.204 -1.329) 12.461 2.716 ( 0.935 -1.091 -2.739) 3.093 2.783 ( 5.127 3.156 -1.947) 6.328 2.907 ( -4.994 -0.123 4.401) 6.658 3.118 ( -1.384 1.256 3.420) 3.897 3.175 ( -0.663 -2.064 1.544) 2.661 3.366 ( 9.440 -1.381 0.712) 9.567 3.501 ( -4.902 -1.387 3.109) 5.969 3.654 ( -1.141 -6.087 1.358) 6.340 3.867 ( -6.817 1.668 0.958) 7.083 3.935 ( 2.551 6.433 -3.773) 7.882 4.107 ( 1.144 4.130 3.313) 5.417 4.574 ( -0.328 3.834 -8.524) 9.352 4.736 ( -2.263 -4.121 -3.361) 5.779 4.815 ( 2.935 -3.710 -5.622) 7.348 4.885 ( -1.295 -3.380 -2.478) 4.386 5.045 ( -0.088 2.070 2.076) 2.933 5.355 ( 1.017 -1.843 -2.399) 3.192 5.834 ( 4.295 2.270 -19.981) 20.563 5.944 ( 0.696 -10.393 -6.225) 12.135 6.472 ( -7.420 -2.039 -5.061) 9.210 6.685 ( -1.895 -0.246 8.232) 8.451 6.879 ( 4.526 0.670 9.729) 10.751 7.246 ( 1.453 1.145 2.540) 3.142 7.403 ( -0.519 -5.625 2.825) 6.316 7.733 ( 6.160 2.763 -6.385) 9.293 8.106 ( -10.549 1.497 4.715) 11.652 8.491 ( 12.454 0.147 12.415) 17.586 10.170 ( -3.428 1.558 -6.362) 7.393 10.184 ( 0.243 -1.041 -2.214) 2.459 12.831 ( 1.541 -0.063 -2.773) 3.173 13.981 ( -2.910 -3.731 13.740) 14.532 14.882 ( 1.583 2.920 -0.417) 3.347 17.020 ( 0.837 1.257 -0.727) 1.676 17.213 ( 0.191 -0.960 3.153) 3.301 17.955 ( 1.376 0.165 1.452) 2.008 18.673 ( -0.512 0.674 -6.759) 6.811 18.999 ( -0.279 -0.340 -6.230) 6.245 ======================= Grid point 100 (46/150) ======================= q-point: (-0.25 0.38 0.12) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( 14.576 6.013 10.059) 18.703 1.639 ( 8.468 6.304 4.725) 11.566 1.831 ( 7.852 3.667 5.438) 10.232 2.188 ( 1.932 -1.935 7.129) 7.635 2.494 ( 5.039 18.718 2.820) 19.588 2.646 ( 1.318 1.715 -1.270) 2.508 2.780 ( -6.217 0.021 6.197) 8.779 2.919 ( 7.512 1.051 -1.186) 7.677 3.101 ( -0.556 3.201 2.629) 4.180 3.185 ( -3.586 -3.101 1.792) 5.068 3.330 ( -0.906 4.751 2.125) 5.283 3.606 ( -7.190 -6.773 -0.003) 9.878 3.687 ( 5.083 -5.295 2.603) 7.788 3.834 ( 5.244 -2.138 2.503) 6.191 3.892 ( 0.376 3.151 -3.841) 4.982 4.144 ( 1.469 -0.450 5.093) 5.319 4.436 ( -4.552 5.960 -6.919) 10.203 4.623 ( -9.168 -1.026 -4.819) 10.408 4.786 ( -3.065 1.607 -0.283) 3.472 4.983 ( 2.992 -4.088 -6.045) 7.887 5.027 ( -0.947 -1.648 -4.039) 4.464 5.403 ( 2.063 -2.473 -0.537) 3.265 5.749 ( -3.174 2.060 -17.055) 17.470 6.017 ( -2.852 -9.522 -7.214) 12.282 6.301 ( -9.195 0.516 -4.323) 10.173 6.714 ( -0.974 -2.310 9.529) 9.854 6.962 ( 2.210 2.811 6.981) 7.843 7.297 ( 2.817 -1.175 3.060) 4.322 7.461 ( -2.352 -7.774 3.053) 8.677 7.825 ( 8.240 6.211 1.866) 10.485 7.932 ( -4.833 0.518 -3.113) 5.772 8.844 ( 18.368 -2.295 16.537) 24.821 10.008 ( -8.829 1.999 -10.110) 13.570 10.160 ( -3.334 -0.868 -2.137) 4.054 12.827 ( -0.925 0.051 -2.140) 2.332 14.023 ( -5.055 -5.827 15.585) 17.390 15.035 ( 18.010 0.231 -1.267) 18.056 17.022 ( 1.181 1.306 0.564) 1.849 17.250 ( 1.142 -1.528 3.158) 3.690 17.989 ( 2.377 1.463 1.402) 3.123 18.571 ( -6.645 1.165 -7.356) 9.981 18.939 ( -3.799 0.074 -7.297) 8.227 ======================= Grid point 101 (47/150) ======================= q-point: (-0.12 0.38 0.12) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( 25.252 10.835 0.814) 27.491 1.686 ( 9.946 12.579 8.417) 18.111 2.088 ( 10.544 -3.097 1.666) 11.115 2.208 ( -8.034 4.284 -8.735) 12.618 2.341 ( 7.458 -2.468 1.302) 7.962 2.688 ( -7.311 -1.348 5.964) 9.531 2.844 ( 18.633 8.552 11.136) 23.331 2.991 ( 0.137 6.995 -2.230) 7.343 3.016 ( 2.684 5.322 0.153) 5.962 3.191 ( 3.652 -2.718 -0.464) 4.576 3.411 ( 5.269 -3.575 8.913) 10.954 3.525 ( -7.270 -4.458 2.834) 8.987 3.729 ( -2.709 -0.331 1.342) 3.042 3.849 ( -0.970 2.571 -2.661) 3.825 4.063 ( 8.481 -3.209 2.343) 9.365 4.166 ( -2.245 -3.294 2.281) 4.593 4.255 ( -9.007 -0.614 -4.933) 10.288 4.484 ( -2.994 0.887 -2.915) 4.272 4.699 ( -2.876 4.848 1.799) 5.917 4.992 ( -2.804 -2.212 -9.989) 10.609 5.047 ( 3.352 -2.112 -2.643) 4.762 5.402 ( -6.185 0.758 -2.485) 6.708 5.590 ( -4.508 0.659 -8.506) 9.649 6.016 ( -5.260 -7.984 -6.447) 11.532 6.154 ( -3.331 2.153 -4.819) 6.241 6.757 ( -1.671 -2.584 10.909) 11.335 6.935 ( -3.297 2.772 5.361) 6.877 7.366 ( 0.753 -1.813 3.335) 3.869 7.490 ( -4.035 -4.239 0.328) 5.862 7.806 ( 1.340 1.569 -4.646) 5.084 8.013 ( 9.635 2.075 2.759) 10.235 9.255 ( 16.979 -3.587 13.649) 22.078 9.764 ( -11.300 1.719 -11.733) 16.380 10.077 ( -5.490 0.215 -0.772) 5.548 12.795 ( -1.024 0.363 -2.477) 2.704 14.044 ( -6.398 -5.402 15.366) 17.500 15.424 ( 20.636 -6.462 -6.154) 22.483 17.037 ( 0.985 0.714 2.551) 2.826 17.312 ( 2.382 -1.820 2.372) 3.823 17.984 ( 0.974 5.884 -1.673) 6.194 18.386 ( -8.989 0.600 -5.722) 10.673 18.842 ( -3.834 -0.108 -3.417) 5.137 ======================= Grid point 106 (48/150) ======================= q-point: (-0.50 0.50 0.12) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.546 ( 0.117 -0.000 24.474) 24.474 1.802 ( -15.936 -0.000 15.062) 21.927 1.961 ( -0.698 0.000 9.785) 9.810 2.140 ( 11.122 -0.000 13.045) 17.142 2.526 ( -9.890 -0.000 -9.596) 13.780 2.733 ( 6.572 -0.000 0.300) 6.579 2.869 ( 6.206 -0.000 2.741) 6.784 2.910 ( -3.034 -0.000 4.448) 5.384 3.154 ( -3.985 -0.000 -2.735) 4.833 3.210 ( 7.726 -0.000 -0.980) 7.788 3.240 ( -0.013 -0.000 6.924) 6.924 3.540 ( -1.401 -0.000 1.101) 1.782 3.556 ( -2.031 -0.000 2.982) 3.608 3.872 ( -3.962 -0.000 -4.468) 5.971 4.005 ( -3.255 -0.000 2.017) 3.830 4.314 ( 4.085 0.000 -0.355) 4.100 4.471 ( -1.448 -0.000 -3.745) 4.015 4.664 ( -0.087 -0.000 -7.875) 7.876 4.775 ( 0.829 -0.000 -4.920) 4.989 4.867 ( -0.170 0.000 -4.863) 4.866 5.135 ( 1.197 -0.000 8.541) 8.624 5.323 ( 0.317 0.000 -3.734) 3.747 5.772 ( -0.619 -0.000 -5.150) 5.187 5.868 ( 3.673 -0.000 -21.145) 21.461 6.449 ( -4.947 -0.000 -9.828) 11.003 6.693 ( -3.792 -0.000 9.891) 10.593 6.881 ( 6.744 -0.000 8.916) 11.179 7.294 ( -0.501 -0.000 6.781) 6.799 7.303 ( -0.505 0.000 -0.380) 0.632 7.766 ( 7.140 -0.000 -6.751) 9.827 8.126 ( -10.570 -0.000 4.804) 11.611 8.494 ( 11.690 -0.000 12.258) 16.939 10.169 ( -0.163 -0.000 -1.113) 1.125 10.190 ( -3.311 -0.000 -6.750) 7.519 12.830 ( 1.402 -0.000 -2.767) 3.102 13.940 ( -2.864 -0.000 11.358) 11.713 14.917 ( 1.496 -0.000 -0.512) 1.581 17.035 ( 0.793 -0.000 -0.814) 1.137 17.201 ( -0.068 -0.000 3.569) 3.570 17.957 ( 1.596 -0.000 1.742) 2.363 18.682 ( 0.108 -0.000 -7.688) 7.689 18.993 ( -1.291 -0.000 -4.243) 4.435 ======================= Grid point 108 (49/150) ======================= q-point: (-0.38 0.50 0.12) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( 25.225 -5.962 14.663) 29.780 1.694 ( 4.854 4.759 4.399) 8.097 2.028 ( 0.827 -0.932 8.763) 8.851 2.233 ( 3.287 12.244 2.423) 12.907 2.566 ( 9.255 -9.526 9.025) 16.058 2.743 ( -5.413 2.046 3.315) 6.669 2.829 ( -6.869 6.139 -3.313) 9.790 2.942 ( 5.507 0.933 1.125) 5.698 3.098 ( -0.776 -1.574 0.846) 1.948 3.223 ( 2.687 5.740 4.418) 7.726 3.397 ( -0.507 -8.762 2.180) 9.043 3.458 ( -3.681 2.903 0.601) 4.726 3.567 ( 1.059 -4.222 2.945) 5.256 3.812 ( 0.111 0.003 -3.497) 3.499 3.976 ( 1.596 2.235 3.433) 4.396 4.243 ( -4.021 8.016 -2.789) 9.392 4.466 ( -2.555 -3.387 -3.481) 5.488 4.589 ( -5.740 0.101 -6.667) 8.799 4.819 ( 1.199 0.078 -4.900) 5.046 4.866 ( 2.859 -4.732 -4.326) 7.020 5.112 ( -0.944 6.245 4.448) 7.725 5.328 ( -0.260 -3.258 -2.872) 4.351 5.780 ( -4.313 0.698 -18.812) 19.312 5.792 ( -1.074 -7.672 -5.294) 9.383 6.316 ( -5.834 0.509 -8.039) 9.945 6.679 ( -1.642 -0.729 9.307) 9.479 7.023 ( 5.235 2.185 8.271) 10.030 7.269 ( -1.265 -1.702 -0.178) 2.128 7.326 ( -1.908 -2.978 5.869) 6.852 7.923 ( 12.435 2.024 -0.375) 12.604 7.947 ( -8.848 0.761 -2.002) 9.104 8.822 ( 17.575 -0.257 17.267) 24.639 10.042 ( -8.952 0.899 -10.005) 13.455 10.136 ( -3.538 -0.824 -1.528) 3.941 12.827 ( -0.582 -0.008 -2.220) 2.295 13.936 ( -3.599 -1.923 11.238) 11.956 15.060 ( 15.151 1.024 -1.263) 15.238 17.045 ( 0.807 0.572 0.288) 1.031 17.219 ( 0.083 -0.897 3.852) 3.956 18.008 ( 3.287 0.400 2.745) 4.301 18.592 ( -6.351 0.576 -8.090) 10.301 18.932 ( -3.661 -0.352 -5.829) 6.893 ======================= Grid point 109 (50/150) ======================= q-point: (-0.25 0.50 0.12) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( 26.066 3.535 4.737) 26.727 1.845 ( 8.271 2.907 0.895) 8.812 2.053 ( 9.634 2.474 0.420) 9.955 2.285 ( 6.540 0.169 7.325) 9.821 2.423 ( -13.267 9.893 -10.975) 19.859 2.651 ( -9.862 -1.655 7.047) 12.234 2.936 ( 11.474 -1.212 11.686) 16.422 3.051 ( 6.544 -1.221 -1.278) 6.779 3.144 ( 3.207 -0.031 5.144) 6.062 3.169 ( -2.727 5.898 1.036) 6.580 3.366 ( -3.652 -3.237 -1.701) 5.168 3.422 ( 0.548 0.166 5.396) 5.426 3.714 ( 2.957 -2.447 0.942) 3.953 3.839 ( 0.784 -5.205 -1.007) 5.359 4.030 ( 7.189 5.667 3.389) 9.761 4.089 ( -8.454 -3.821 -0.419) 9.287 4.364 ( -4.599 7.787 -4.985) 10.327 4.455 ( -5.386 -1.496 -1.625) 5.821 4.812 ( 1.224 1.300 -2.146) 2.791 4.944 ( 0.444 -2.992 -7.559) 8.142 5.046 ( 0.668 3.999 -0.280) 4.064 5.353 ( -3.651 -5.227 -1.761) 6.615 5.587 ( -8.602 -0.531 -11.139) 14.084 5.835 ( -1.098 -6.492 -4.943) 8.233 6.189 ( -4.221 1.016 -6.802) 8.070 6.714 ( -0.165 -1.227 9.522) 9.602 7.022 ( -2.881 5.017 5.735) 8.146 7.326 ( 2.478 -3.443 0.516) 4.273 7.350 ( -2.942 -5.621 5.678) 8.514 7.812 ( -3.133 0.061 -8.402) 8.967 8.107 ( 11.047 4.313 3.086) 12.254 9.210 ( 17.944 -0.865 17.262) 24.914 9.804 ( -11.249 1.618 -12.108) 16.606 10.056 ( -6.180 -1.505 -1.426) 6.518 12.802 ( -0.867 0.252 -2.281) 2.453 13.942 ( -3.915 -3.311 11.240) 12.354 15.371 ( 20.572 0.177 -4.704) 21.103 17.053 ( 0.433 0.648 2.166) 2.302 17.258 ( 0.869 -2.438 3.559) 4.401 18.068 ( 3.359 2.024 1.817) 4.322 18.403 ( -10.223 0.797 -7.212) 12.537 18.837 ( -4.632 -0.260 -5.534) 7.221 ======================= Grid point 110 (51/150) ======================= q-point: (-0.12 0.50 0.12) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( 10.292 1.674 -6.987) 12.551 1.859 ( 6.929 5.627 2.668) 9.317 2.091 ( -3.274 6.955 0.536) 7.706 2.244 ( 3.334 4.053 3.602) 6.365 2.439 ( -3.777 -4.788 5.992) 8.550 2.618 ( 12.008 -1.739 -2.425) 12.374 3.009 ( 1.551 1.563 -4.111) 4.664 3.032 ( -1.647 4.279 0.205) 4.590 3.155 ( -3.872 -0.448 2.371) 4.562 3.278 ( 6.360 -0.837 3.826) 7.469 3.422 ( 0.707 -4.660 2.797) 5.481 3.509 ( 5.777 -3.145 8.303) 10.592 3.695 ( -2.513 3.552 -0.196) 4.355 3.829 ( -8.602 -9.703 -4.787) 13.822 4.051 ( 6.538 12.073 6.714) 15.283 4.110 ( -2.174 -2.903 0.335) 3.642 4.228 ( 0.223 -1.066 1.653) 1.979 4.433 ( 0.726 -1.270 -1.257) 1.929 4.771 ( -1.183 7.618 1.914) 7.943 4.885 ( -3.364 -1.663 -8.464) 9.259 5.088 ( 4.262 -1.753 -3.100) 5.554 5.210 ( -10.667 0.286 -4.985) 11.777 5.515 ( -2.053 -4.091 -3.003) 5.474 5.873 ( 0.910 -3.329 -2.458) 4.237 6.104 ( -2.031 -0.044 -4.946) 5.347 6.757 ( -0.555 -0.520 8.083) 8.119 6.918 ( -3.741 3.695 5.666) 7.730 7.335 ( -3.103 -1.248 1.759) 3.779 7.413 ( 0.063 -3.546 -0.703) 3.616 7.778 ( 0.730 -3.062 -10.434) 10.899 8.225 ( 6.567 4.471 5.660) 9.755 9.531 ( -8.528 2.885 -14.287) 16.887 9.578 ( 12.865 -0.818 14.050) 19.068 9.959 ( -6.388 -2.218 0.247) 6.767 12.779 ( -0.222 0.433 -3.176) 3.213 13.955 ( -3.762 -3.301 11.400) 12.450 15.670 ( 14.929 0.086 -9.523) 17.708 17.057 ( -0.768 0.408 3.597) 3.700 17.332 ( 2.112 -3.250 2.522) 4.624 18.050 ( -1.269 5.223 -2.637) 5.987 18.224 ( -5.939 -0.912 -3.220) 6.817 18.761 ( -2.735 -1.621 -2.653) 4.141 ======================= Grid point 116 (52/150) ======================= q-point: (-0.38 0.62 0.12) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( 27.072 0.000 8.894) 28.496 1.959 ( 20.518 0.000 -4.108) 20.926 2.021 ( -3.506 -0.000 4.267) 5.522 2.308 ( 4.106 0.000 2.498) 4.806 2.591 ( -17.124 -0.000 -10.466) 20.070 2.625 ( -11.033 -0.000 7.713) 13.462 2.867 ( 15.482 0.000 15.923) 22.209 3.069 ( 9.368 0.000 -0.526) 9.382 3.090 ( -0.070 -0.000 -0.231) 0.241 3.257 ( -6.182 -0.000 5.317) 8.154 3.305 ( -4.603 -0.000 1.813) 4.947 3.479 ( 5.124 0.000 1.528) 5.347 3.632 ( 5.319 0.000 2.441) 5.852 3.806 ( 0.814 0.000 -3.842) 3.927 4.017 ( -14.423 -0.000 -4.267) 15.041 4.118 ( 9.178 0.000 7.641) 11.942 4.425 ( -10.469 -0.000 -5.343) 11.754 4.550 ( 5.781 0.000 -4.671) 7.433 4.760 ( -4.089 -0.000 -2.580) 4.835 4.891 ( 3.793 0.000 -3.126) 4.915 5.133 ( -2.603 -0.000 3.426) 4.303 5.256 ( -2.702 -0.000 -5.774) 6.375 5.581 ( -11.078 -0.000 -11.969) 16.309 5.761 ( 3.550 0.000 -3.649) 5.091 6.200 ( -4.560 -0.000 -8.029) 9.233 6.700 ( 0.818 0.000 8.586) 8.624 7.157 ( 2.996 0.000 9.283) 9.754 7.166 ( -5.623 -0.000 0.180) 5.626 7.324 ( -0.133 -0.000 3.509) 3.512 7.814 ( -4.131 -0.000 -9.425) 10.291 8.160 ( 11.422 0.000 3.270) 11.881 9.202 ( 17.926 0.000 18.328) 25.637 9.825 ( -10.950 -0.000 -12.086) 16.309 10.035 ( -6.629 -0.000 -1.769) 6.861 12.805 ( -0.735 -0.000 -2.206) 2.325 13.904 ( -3.105 -0.000 9.501) 9.995 15.380 ( 20.676 0.000 -4.243) 21.107 17.061 ( 0.223 0.000 2.052) 2.064 17.226 ( -0.163 -0.000 3.900) 3.903 18.089 ( 4.090 0.000 2.938) 5.036 18.414 ( -10.578 -0.000 -7.624) 13.039 18.833 ( -4.629 -0.000 -6.101) 7.658 ======================= Grid point 118 (53/150) ======================= q-point: (-0.25 -0.38 0.12) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( -4.780 -2.991 -6.560) 8.651 2.063 ( 13.929 6.492 7.229) 16.983 2.240 ( -8.436 5.147 -1.441) 9.987 2.315 ( 7.165 -1.903 0.516) 7.432 2.393 ( -3.458 4.957 5.877) 8.431 2.542 ( 11.631 -5.628 -1.200) 12.977 3.029 ( -0.134 0.530 -3.127) 3.174 3.076 ( -2.308 -0.421 -0.743) 2.461 3.162 ( -2.157 1.999 5.132) 5.915 3.239 ( -2.456 -2.877 2.550) 4.562 3.296 ( 5.610 -3.160 5.931) 8.754 3.553 ( 1.676 3.925 1.024) 4.389 3.651 ( -1.269 -4.411 -1.323) 4.777 3.787 ( 0.901 3.015 -2.537) 4.042 3.960 ( 0.930 -7.166 4.122) 8.319 4.190 ( -10.298 1.052 -0.738) 10.378 4.308 ( 7.447 2.712 6.331) 10.143 4.512 ( 1.750 10.234 -2.388) 10.654 4.758 ( -1.574 -7.750 -5.262) 9.499 4.905 ( -1.690 1.240 -2.062) 2.941 5.094 ( 1.150 2.357 -0.285) 2.638 5.197 ( -5.550 -1.555 -4.425) 7.266 5.385 ( -6.418 -4.497 -4.131) 8.859 5.839 ( 5.561 -0.381 -2.149) 5.974 6.103 ( -3.226 -0.040 -6.468) 7.228 6.753 ( 0.854 0.049 7.608) 7.656 7.037 ( -2.981 6.157 3.000) 7.470 7.250 ( -2.605 -6.587 7.479) 10.301 7.343 ( 1.479 -0.931 -1.077) 2.052 7.733 ( -0.883 -0.827 -13.404) 13.459 8.315 ( 5.798 2.529 5.034) 8.085 9.567 ( 13.497 -0.187 16.985) 21.696 9.591 ( -6.590 1.895 -13.655) 15.280 9.905 ( -8.010 -1.879 -1.709) 8.403 12.787 ( -0.095 0.245 -3.041) 3.052 13.901 ( -2.031 -1.288 9.243) 9.551 15.706 ( 18.832 1.716 -8.475) 20.723 17.066 ( -0.821 0.344 3.926) 4.026 17.252 ( 0.325 -2.668 3.430) 4.357 18.143 ( -1.344 3.005 -1.356) 3.560 18.198 ( -7.296 -1.470 -3.775) 8.345 18.737 ( -3.764 -0.532 -5.118) 6.376 ======================= Grid point 119 (54/150) ======================= q-point: (-0.12 -0.38 0.12) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( -15.171 -7.043 -10.363) 19.676 2.021 ( -19.101 -2.583 -0.386) 19.279 2.105 ( -0.891 0.189 6.556) 6.619 2.353 ( 10.748 7.720 -0.660) 13.250 2.458 ( 4.419 5.396 5.898) 9.134 2.902 ( 14.741 -1.540 -3.540) 15.238 2.963 ( -7.946 -5.048 2.803) 9.822 3.027 ( -0.221 0.909 -1.594) 1.848 3.068 ( -3.704 4.122 1.625) 5.775 3.236 ( -10.196 -6.579 -3.795) 12.714 3.352 ( 2.007 -3.701 3.185) 5.279 3.597 ( 2.750 1.354 5.881) 6.632 3.687 ( -5.760 1.479 1.654) 6.173 3.735 ( 4.838 4.055 -0.457) 6.329 4.016 ( -1.942 -5.104 -0.874) 5.530 4.118 ( -3.023 -8.580 4.991) 10.376 4.352 ( 2.962 9.601 3.345) 10.590 4.475 ( 2.963 3.021 -1.363) 4.446 4.792 ( -5.954 4.469 2.611) 7.889 4.832 ( 4.663 -3.834 -5.284) 8.023 5.079 ( -1.053 3.067 -3.903) 5.075 5.141 ( 4.229 -2.478 -3.301) 5.909 5.428 ( 2.328 -5.235 -0.847) 5.792 5.941 ( 6.735 0.208 -2.626) 7.232 6.055 ( -0.336 -1.201 -2.799) 3.064 6.744 ( -4.275 0.782 6.099) 7.489 6.985 ( 2.358 5.633 6.792) 9.134 7.268 ( -2.196 -2.120 1.098) 3.244 7.382 ( 0.646 -2.736 -2.082) 3.498 7.698 ( -0.534 -3.500 -12.488) 12.980 8.350 ( 0.012 2.934 5.694) 6.405 9.350 ( -8.168 5.897 -15.573) 18.548 9.814 ( -5.304 -4.891 0.721) 7.251 9.874 ( 12.200 0.496 12.559) 17.516 12.771 ( 0.261 0.549 -4.449) 4.490 13.928 ( -0.977 -1.336 10.574) 10.703 15.879 ( 9.252 6.792 -12.326) 16.842 17.048 ( -2.352 0.651 4.255) 4.905 17.328 ( 1.382 -4.633 2.328) 5.366 17.967 ( -7.610 -1.450 -3.277) 8.411 18.192 ( 1.218 1.268 -3.252) 3.696 18.695 ( -1.112 -2.439 -2.180) 3.455 ======================= Grid point 126 (55/150) ======================= q-point: (-0.25 -0.25 0.12) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( -18.403 -0.000 -10.635) 21.255 1.997 ( -23.920 -0.000 -1.587) 23.972 2.105 ( -4.652 -0.000 4.932) 6.780 2.407 ( 10.146 0.000 4.654) 11.162 2.647 ( 6.018 0.000 11.540) 13.015 2.761 ( 13.803 0.000 -9.167) 16.570 2.905 ( -9.591 -0.000 -5.056) 10.842 3.048 ( -1.876 -0.000 3.554) 4.019 3.130 ( -11.634 -0.000 -2.275) 11.855 3.195 ( 2.557 0.000 -0.539) 2.613 3.261 ( 3.583 0.000 6.144) 7.113 3.603 ( 1.364 0.000 4.802) 4.992 3.758 ( 2.685 0.000 2.488) 3.661 3.835 ( 6.248 0.000 -6.104) 8.735 3.910 ( -4.360 -0.000 0.746) 4.423 3.974 ( -10.062 -0.000 6.433) 11.943 4.471 ( 4.168 0.000 5.820) 7.159 4.577 ( -2.158 -0.000 -3.576) 4.176 4.708 ( 9.200 0.000 -6.067) 11.020 4.858 ( -7.146 -0.000 2.688) 7.635 5.089 ( -0.238 -0.000 -1.326) 1.347 5.149 ( 1.190 0.000 -5.188) 5.323 5.351 ( 7.203 0.000 0.700) 7.237 5.938 ( 6.250 0.000 -4.112) 7.481 6.041 ( -1.143 -0.000 -2.787) 3.012 6.754 ( -4.010 -0.000 6.543) 7.674 7.130 ( 7.886 0.000 -0.002) 7.886 7.164 ( -5.591 -0.000 10.151) 11.589 7.345 ( 0.017 0.000 -3.351) 3.351 7.661 ( -0.898 -0.000 -14.236) 14.265 8.388 ( -1.132 -0.000 4.885) 5.015 9.440 ( -3.740 -0.000 -13.861) 14.357 9.738 ( -8.168 -0.000 -1.905) 8.387 9.879 ( 12.241 0.000 14.786) 19.195 12.778 ( 0.438 0.000 -4.633) 4.654 13.912 ( -0.071 -0.000 10.078) 10.079 15.981 ( 14.957 0.000 -12.887) 19.743 17.064 ( -1.827 -0.000 5.899) 6.175 17.243 ( -0.302 -0.000 2.626) 2.643 17.951 ( -11.787 -0.000 -4.535) 12.629 18.208 ( 1.427 0.000 -3.035) 3.354 18.666 ( -1.796 -0.000 -3.176) 3.649 ======================= Grid point 127 (56/150) ======================= q-point: (-0.12 -0.25 0.12) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( -19.395 -8.404 -8.819) 22.903 1.532 ( -27.789 -4.462 -9.360) 29.661 2.082 ( -2.181 -1.987 6.360) 7.011 2.488 ( -17.236 3.317 6.221) 18.622 2.563 ( -0.591 3.995 1.349) 4.258 2.674 ( -6.456 -2.879 2.798) 7.603 2.881 ( -9.443 -3.113 -3.388) 10.505 3.011 ( -0.447 -2.170 -6.727) 7.083 3.044 ( -1.087 -1.631 7.174) 7.437 3.250 ( 3.862 6.034 7.372) 10.279 3.350 ( 0.916 -1.808 4.070) 4.547 3.578 ( -5.008 -1.015 0.901) 5.189 3.684 ( -1.551 6.309 0.235) 6.501 3.842 ( -0.892 -0.434 0.226) 1.018 3.980 ( 3.469 -4.849 0.924) 6.033 4.000 ( 6.954 -6.302 1.684) 9.535 4.482 ( 0.685 6.651 3.706) 7.645 4.599 ( 6.689 2.337 -2.266) 7.439 4.661 ( -12.013 2.694 1.833) 12.447 4.894 ( 9.847 -2.533 -7.113) 12.409 5.153 ( 5.698 -0.961 0.444) 5.796 5.195 ( 5.678 -0.576 -2.272) 6.143 5.516 ( 9.996 0.228 -4.718) 11.055 5.993 ( 2.784 -1.038 -7.423) 7.996 6.090 ( 5.368 -2.206 2.035) 6.150 6.703 ( -3.347 0.255 9.385) 9.967 7.065 ( -5.562 3.330 8.534) 10.717 7.276 ( 2.107 2.658 -2.642) 4.299 7.375 ( 6.794 -4.493 -0.121) 8.146 7.597 ( -2.004 -1.979 -11.778) 12.110 8.336 ( -5.240 0.799 3.679) 6.452 9.281 ( -4.192 10.826 -14.662) 18.702 9.665 ( -3.030 -8.340 -2.192) 9.140 10.098 ( 7.157 0.384 11.676) 13.700 12.764 ( 0.585 0.452 -6.605) 6.646 13.969 ( 1.295 0.004 13.877) 13.937 16.058 ( 5.041 12.486 -16.723) 21.470 17.032 ( -3.063 2.245 5.471) 6.660 17.292 ( 0.466 -5.903 1.603) 6.135 17.786 ( -6.558 -6.746 -1.713) 9.563 18.187 ( -0.806 -0.525 -9.185) 9.235 18.658 ( 0.280 -1.684 -0.180) 1.716 ======================= Grid point 135 (57/150) ======================= q-point: (-0.12 -0.12 0.12) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.661 ( -20.920 -0.000 -4.871) 21.480 0.934 ( -30.604 -0.000 -12.813) 33.178 1.951 ( -40.529 -0.000 17.536) 44.160 2.053 ( -2.191 -0.000 4.716) 5.200 2.514 ( -8.945 -0.000 1.087) 9.011 2.664 ( -9.830 -0.000 -5.348) 11.191 2.705 ( 4.476 0.000 3.778) 5.857 2.979 ( 0.339 0.000 -6.624) 6.632 3.013 ( -3.564 -0.000 6.556) 7.462 3.245 ( -5.233 -0.000 5.101) 7.308 3.470 ( -5.574 -0.000 4.113) 6.927 3.501 ( 8.018 0.000 4.870) 9.381 3.659 ( -3.931 -0.000 -5.099) 6.438 3.775 ( -1.879 -0.000 5.883) 6.176 4.084 ( 6.714 0.000 -4.500) 8.083 4.121 ( 4.088 0.000 1.864) 4.493 4.472 ( -5.855 -0.000 2.520) 6.374 4.554 ( 0.899 0.000 4.963) 5.043 4.761 ( 8.446 0.000 0.240) 8.449 5.030 ( 7.837 0.000 -5.973) 9.853 5.244 ( 5.064 0.000 -0.077) 5.064 5.308 ( 7.494 0.000 0.664) 7.523 5.656 ( 10.048 0.000 -19.738) 22.148 6.022 ( 3.967 0.000 -4.025) 5.651 6.159 ( 4.285 0.000 -0.066) 4.285 6.741 ( 2.225 0.000 18.826) 18.957 6.975 ( -8.641 -0.000 6.900) 11.058 7.259 ( -1.919 -0.000 -2.915) 3.490 7.498 ( -2.437 -0.000 -8.684) 9.020 7.567 ( 11.618 0.000 2.668) 11.920 8.256 ( -4.238 -0.000 3.612) 5.569 9.277 ( -2.639 -0.000 -19.893) 20.068 9.515 ( -3.502 -0.000 -1.593) 3.847 10.213 ( 1.356 0.000 8.616) 8.722 12.752 ( 1.097 0.000 -8.271) 8.344 14.080 ( 4.070 0.000 22.180) 22.551 16.160 ( 2.042 0.000 -26.295) 26.374 17.038 ( -2.410 -0.000 7.228) 7.619 17.244 ( -0.251 -0.000 0.505) 0.564 17.590 ( -7.050 -0.000 -1.196) 7.151 18.077 ( -5.537 -0.000 -13.278) 14.387 18.665 ( 0.911 0.000 1.675) 1.907 ======================= Grid point 136 (58/150) ======================= q-point: ( 0.00 0.00 0.25) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( 12.215 0.000 22.299) 25.425 1.157 ( -17.073 -0.000 27.182) 32.100 1.620 ( 13.316 0.000 37.175) 39.488 1.988 ( -3.016 -0.000 -1.362) 3.310 2.289 ( 0.308 0.000 -2.864) 2.881 2.479 ( 3.655 0.000 0.750) 3.731 2.607 ( -10.483 -0.000 -14.334) 17.759 2.918 ( 0.448 0.000 7.627) 7.640 3.051 ( -7.765 -0.000 1.244) 7.864 3.098 ( 0.514 0.000 -0.136) 0.532 3.425 ( -5.754 -0.000 1.806) 6.031 3.501 ( 0.697 0.000 3.830) 3.893 3.742 ( 6.737 0.000 -0.321) 6.745 3.796 ( 1.544 0.000 1.508) 2.159 4.031 ( -2.041 -0.000 10.069) 10.273 4.373 ( 7.952 0.000 5.524) 9.682 4.393 ( 3.456 0.000 -13.747) 14.175 4.624 ( -3.963 -0.000 2.674) 4.781 4.880 ( -11.983 -0.000 -8.539) 14.714 4.994 ( 0.876 0.000 -7.751) 7.800 5.135 ( 8.746 0.000 -14.848) 17.232 5.419 ( -0.718 -0.000 -2.161) 2.277 5.575 ( -5.089 -0.000 -15.743) 16.545 6.021 ( -2.437 -0.000 -4.569) 5.178 6.280 ( 3.357 0.000 -0.032) 3.358 6.821 ( -1.101 -0.000 7.889) 7.966 6.853 ( -2.210 -0.000 4.495) 5.009 7.381 ( 7.334 0.000 -2.109) 7.631 7.392 ( 3.555 0.000 6.728) 7.609 7.992 ( 5.505 0.000 7.866) 9.601 8.190 ( -18.809 -0.000 4.312) 19.297 9.379 ( 0.160 0.000 -3.999) 4.002 9.436 ( 23.928 0.000 1.017) 23.950 10.074 ( -10.168 -0.000 -2.996) 10.600 12.826 ( 3.042 0.000 -1.429) 3.361 14.671 ( -5.021 -0.000 0.458) 5.042 15.680 ( 4.843 0.000 0.971) 4.939 16.930 ( 1.530 0.000 -0.239) 1.548 17.261 ( 0.640 0.000 0.631) 0.899 17.437 ( -0.329 -0.000 -0.877) 0.936 18.371 ( 15.605 0.000 1.359) 15.664 18.634 ( -1.962 -0.000 -1.704) 2.598 ======================= Grid point 137 (59/150) ======================= q-point: ( 0.12 0.00 0.25) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( -6.206 -2.258 24.673) 25.541 1.256 ( 16.761 -6.720 19.668) 26.700 1.957 ( -0.470 -1.818 -1.357) 2.316 2.165 ( 17.731 -0.287 18.139) 25.367 2.340 ( 7.068 -2.467 1.043) 7.559 2.423 ( -1.381 -2.325 -8.979) 9.377 2.607 ( 7.015 -3.975 4.031) 9.014 2.870 ( -2.492 0.693 1.253) 2.874 2.970 ( -5.069 -4.946 7.781) 10.521 3.188 ( 5.044 7.158 1.381) 8.865 3.420 ( 2.619 -7.540 3.378) 8.667 3.532 ( -0.986 -6.386 1.941) 6.747 3.788 ( -1.302 2.034 -0.968) 2.602 3.900 ( 7.881 2.905 -2.569) 8.784 4.032 ( -0.210 1.672 5.403) 5.660 4.367 ( 1.202 3.839 -6.896) 7.984 4.467 ( -1.559 3.370 -1.975) 4.206 4.510 ( -6.347 4.003 2.989) 8.077 4.604 ( -10.686 -5.738 -3.950) 12.757 4.977 ( 1.602 1.022 -8.353) 8.567 5.176 ( -3.914 5.156 -8.531) 10.709 5.343 ( 1.551 0.403 -4.954) 5.207 5.405 ( -6.089 -1.889 -8.205) 10.391 5.999 ( -3.959 -6.311 -5.011) 8.978 6.237 ( -3.783 4.404 -1.531) 6.004 6.884 ( 5.644 1.801 2.756) 6.534 6.945 ( 4.004 -3.332 5.088) 7.281 7.459 ( 1.833 1.173 5.169) 5.608 7.514 ( 5.195 -4.105 -2.786) 7.184 7.844 ( -18.667 2.065 5.601) 19.599 8.105 ( 5.010 3.132 9.395) 11.099 9.347 ( 6.494 7.056 -0.493) 9.602 9.690 ( -2.241 -1.397 -9.801) 10.151 9.981 ( 0.975 -5.060 0.350) 5.165 12.806 ( -3.025 0.465 -1.043) 3.233 14.614 ( -5.123 0.040 9.808) 11.066 15.571 ( 2.570 18.561 -6.151) 19.722 17.009 ( 5.821 0.938 0.592) 5.926 17.281 ( 0.117 -2.608 0.339) 2.633 17.547 ( 2.713 -11.485 -3.163) 12.218 18.431 ( -5.128 0.488 -3.837) 6.424 18.732 ( 8.973 -0.920 -3.004) 9.507 ======================= Grid point 138 (60/150) ======================= q-point: ( 0.25 0.00 0.25) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( 16.103 -4.363 10.347) 19.631 1.704 ( 16.573 -7.506 15.653) 24.001 1.964 ( -1.785 -1.148 -3.753) 4.311 2.171 ( 2.989 4.187 -6.061) 7.950 2.482 ( 7.736 1.322 1.899) 8.075 2.652 ( 3.534 -7.708 -3.040) 9.008 2.821 ( 2.615 -2.684 2.678) 4.606 2.913 ( -2.080 -0.979 5.481) 5.944 2.993 ( 7.524 -5.634 13.388) 16.358 3.199 ( 3.591 0.901 0.864) 3.802 3.582 ( 5.300 -4.289 6.262) 9.257 3.647 ( -1.084 -4.142 -0.576) 4.320 3.720 ( 2.918 2.581 -0.079) 3.896 3.896 ( -2.019 0.824 4.677) 5.160 4.014 ( 0.584 -2.089 -1.371) 2.566 4.241 ( -8.971 7.366 -5.207) 12.722 4.359 ( -3.091 2.265 0.069) 3.833 4.442 ( 3.511 3.757 1.868) 5.471 4.589 ( -1.403 -4.339 0.795) 4.629 4.900 ( -4.978 5.511 -9.802) 12.298 5.031 ( 2.420 2.071 -4.773) 5.738 5.254 ( -10.095 -1.381 -5.642) 11.647 5.419 ( 3.282 -2.938 -5.686) 7.192 5.975 ( -3.643 -3.429 -3.329) 6.010 6.104 ( -2.884 4.700 -3.079) 6.315 6.944 ( 1.330 1.621 1.165) 2.399 7.027 ( 0.494 -0.460 6.979) 7.011 7.463 ( -0.932 1.866 2.168) 3.009 7.486 ( -13.549 -0.591 -2.311) 13.757 7.665 ( 0.190 -3.288 -1.493) 3.616 8.209 ( 8.217 5.043 10.062) 13.935 9.405 ( -0.645 1.682 -7.401) 7.618 9.539 ( -2.037 -1.796 -4.925) 5.624 10.077 ( 1.921 -1.243 4.132) 4.723 12.746 ( -2.357 0.020 -1.673) 2.891 14.509 ( -10.362 3.653 16.567) 19.880 15.450 ( 8.192 11.832 -13.993) 20.073 17.087 ( 3.666 1.125 2.169) 4.405 17.321 ( 0.085 -3.664 -0.086) 3.666 17.716 ( 4.446 -8.931 -2.946) 10.402 18.296 ( -6.810 0.646 -4.479) 8.176 18.818 ( 3.025 1.939 -2.072) 4.148 ======================= Grid point 139 (61/150) ======================= q-point: ( 0.38 0.00 0.25) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( 18.994 -4.282 -1.893) 19.562 1.871 ( -1.578 4.870 -1.746) 5.409 2.094 ( 9.937 -7.826 6.307) 14.134 2.243 ( 7.433 2.381 5.437) 9.512 2.534 ( -11.222 -0.221 -10.520) 15.384 2.650 ( 6.439 2.019 4.191) 7.944 2.828 ( -0.895 -6.146 1.624) 6.420 2.999 ( 6.851 -0.008 2.458) 7.279 3.143 ( -1.959 -5.643 5.580) 8.174 3.276 ( -0.820 -6.019 0.227) 6.079 3.561 ( -0.863 5.727 1.945) 6.110 3.713 ( -2.057 1.446 -0.485) 2.561 3.831 ( 0.542 0.013 -1.217) 1.333 3.897 ( 2.409 6.524 9.193) 11.527 4.004 ( -0.683 -0.267 4.309) 4.371 4.151 ( 1.718 -8.276 1.855) 8.654 4.280 ( -0.186 2.500 2.294) 3.398 4.423 ( 1.438 3.409 -2.139) 4.274 4.663 ( 2.401 -2.952 3.055) 4.880 4.758 ( -0.385 3.133 -10.007) 10.493 5.038 ( -8.295 -3.720 -7.367) 11.701 5.084 ( 1.943 4.041 -2.599) 5.183 5.460 ( -0.012 -2.384 -3.867) 4.543 5.913 ( -2.056 2.012 -1.004) 3.047 6.045 ( 0.389 0.848 -2.759) 2.913 6.905 ( -4.732 -0.027 4.577) 6.584 7.047 ( 0.217 1.922 7.194) 7.450 7.281 ( -7.284 -0.854 -5.865) 9.391 7.418 ( -2.083 1.707 0.426) 2.727 7.685 ( -1.086 -2.110 -4.710) 5.274 8.343 ( 7.997 3.783 8.268) 12.109 9.164 ( -14.077 -1.203 -16.983) 22.092 9.702 ( 9.641 -3.919 2.136) 10.624 10.099 ( -0.266 2.635 7.286) 7.753 12.711 ( -1.018 -0.057 -2.471) 2.673 14.334 ( -9.382 4.722 15.054) 18.356 15.456 ( 7.482 3.637 -15.522) 17.610 17.125 ( 0.482 0.534 3.099) 3.182 17.357 ( -0.592 -3.272 -0.070) 3.326 17.873 ( 5.643 -4.698 -2.213) 7.669 18.161 ( -5.648 0.519 -4.459) 7.215 18.808 ( 0.788 3.766 -0.605) 3.895 ======================= Grid point 140 (62/150) ======================= q-point: (-0.50 0.00 0.25) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( -3.063 12.754 -2.296) 13.316 1.944 ( -2.977 0.946 -11.894) 12.297 2.101 ( -0.720 -3.341 -1.648) 3.795 2.331 ( -4.185 0.173 -0.004) 4.189 2.463 ( 9.664 -0.970 9.366) 13.492 2.822 ( 6.432 -6.208 -0.139) 8.941 2.884 ( -4.096 -7.133 6.532) 10.503 3.110 ( 4.264 3.912 -0.244) 5.791 3.160 ( -4.917 -1.626 9.265) 10.614 3.280 ( -3.085 -3.107 -1.786) 4.729 3.415 ( -4.412 4.348 -2.006) 6.511 3.655 ( 2.727 0.641 3.271) 4.306 3.756 ( -5.801 3.940 5.338) 8.813 3.898 ( 2.020 8.802 -0.119) 9.032 4.069 ( 2.878 -9.163 -1.062) 9.663 4.170 ( -4.187 -0.184 3.747) 5.622 4.319 ( 1.020 0.399 1.081) 1.539 4.449 ( 2.340 4.423 -0.437) 5.023 4.717 ( 2.706 0.844 -8.258) 8.731 4.754 ( -4.307 -3.895 3.259) 6.659 4.936 ( 2.570 -4.334 -0.637) 5.079 5.110 ( 4.409 2.519 -6.276) 8.073 5.451 ( -0.298 -0.037 -3.735) 3.747 5.897 ( 2.395 1.160 -1.674) 3.144 6.060 ( 2.996 0.187 0.027) 3.002 6.861 ( -2.914 -1.503 6.773) 7.525 7.065 ( 1.302 0.827 4.987) 5.220 7.199 ( -2.308 -2.391 -6.468) 7.272 7.379 ( -0.014 1.350 2.047) 2.452 7.643 ( -1.918 1.494 -4.026) 4.703 8.423 ( 1.610 3.325 3.617) 5.170 8.893 ( -12.164 -5.417 -16.035) 20.843 9.862 ( 3.093 0.100 -1.004) 3.254 10.119 ( 3.514 1.107 9.851) 10.517 12.685 ( -0.715 0.298 -3.054) 3.151 14.228 ( -3.722 2.067 13.528) 14.182 15.481 ( 2.268 -2.219 -15.185) 15.513 17.117 ( -2.256 0.038 3.560) 4.215 17.366 ( -2.153 -2.484 0.009) 3.287 17.981 ( 4.678 2.437 -1.786) 5.569 18.071 ( -1.767 -0.957 -4.823) 5.225 18.772 ( 0.572 4.351 0.153) 4.391 ======================= Grid point 141 (63/150) ======================= q-point: (-0.38 0.00 0.25) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( -8.624 16.488 1.516) 18.669 1.543 ( -16.158 15.113 -9.773) 24.187 2.235 ( -4.689 -2.084 -2.265) 5.609 2.285 ( 2.967 -6.228 -1.699) 7.104 2.614 ( 2.353 0.819 8.548) 8.904 2.757 ( -16.814 -0.413 2.984) 17.082 2.893 ( -5.498 -4.888 2.613) 7.807 3.038 ( -4.122 1.761 0.133) 4.484 3.219 ( 0.351 0.275 3.088) 3.120 3.248 ( 3.547 3.142 3.223) 5.730 3.398 ( -1.434 -2.599 3.637) 4.694 3.668 ( -3.710 -0.509 6.053) 7.118 3.740 ( 2.151 -0.451 3.154) 3.844 3.775 ( -3.656 3.374 3.123) 5.873 4.168 ( 8.380 6.057 1.582) 10.461 4.230 ( 2.148 -0.922 -1.005) 2.544 4.336 ( 0.521 -2.389 1.997) 3.156 4.422 ( 5.432 -0.576 -6.654) 8.610 4.596 ( -16.037 -5.337 0.762) 16.919 4.756 ( 6.371 -0.003 -7.624) 9.936 5.121 ( 7.696 -0.428 -4.029) 8.697 5.167 ( 7.786 -0.581 -2.033) 8.068 5.425 ( -0.891 0.894 -6.165) 6.293 5.925 ( 3.827 1.758 -3.497) 5.474 6.146 ( 5.826 0.619 0.741) 5.905 6.898 ( 0.487 -3.227 8.662) 9.256 7.085 ( -0.529 -0.599 0.832) 1.154 7.196 ( 0.342 -2.730 -2.925) 4.015 7.434 ( 5.678 0.710 6.476) 8.642 7.566 ( -1.180 4.386 -2.430) 5.151 8.334 ( -5.894 1.812 -4.180) 7.450 8.780 ( -6.992 -10.121 -7.594) 14.457 9.815 ( -0.728 7.464 -2.106) 7.789 10.244 ( 3.765 -2.576 6.856) 8.235 12.657 ( -0.287 0.808 -3.533) 3.635 14.272 ( 2.677 -1.973 15.960) 16.302 15.461 ( -4.613 -7.581 -15.079) 17.497 17.077 ( -4.115 -0.786 3.556) 5.495 17.338 ( -3.262 -1.311 -0.183) 3.521 17.970 ( 1.335 3.995 0.076) 4.213 18.069 ( 4.300 6.224 -8.026) 11.029 18.737 ( 0.392 3.474 0.766) 3.579 ======================= Grid point 142 (64/150) ======================= q-point: (-0.25 0.00 0.25) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( -14.572 14.297 0.945) 20.436 1.104 ( -2.611 25.131 9.173) 26.880 2.123 ( -9.706 -1.919 2.674) 10.249 2.339 ( -14.783 -1.161 6.746) 16.291 2.410 ( -5.590 -0.280 1.090) 5.702 2.683 ( -14.645 5.491 1.331) 15.697 2.748 ( 1.715 -0.358 6.313) 6.551 2.982 ( -3.146 -1.768 -0.075) 3.609 3.042 ( -6.828 1.363 -3.371) 7.736 3.342 ( -2.611 4.421 -1.347) 5.308 3.464 ( 6.066 -5.452 6.516) 10.440 3.582 ( -7.526 0.479 9.587) 12.197 3.717 ( 1.346 3.481 2.006) 4.237 3.871 ( 1.494 -4.674 3.869) 6.249 4.115 ( -0.452 7.151 1.609) 7.344 4.226 ( -3.456 4.903 0.390) 6.012 4.379 ( -6.389 -3.516 -3.346) 8.024 4.507 ( 3.612 -8.404 -0.372) 9.155 4.627 ( 15.934 -4.695 -8.881) 18.836 4.879 ( 7.710 -2.265 -5.515) 9.746 5.217 ( 4.206 -0.542 -4.722) 6.347 5.306 ( 6.636 -0.666 -1.414) 6.818 5.345 ( 0.103 1.810 -10.910) 11.059 5.985 ( 6.448 0.926 -2.093) 6.842 6.208 ( 4.596 5.044 -2.173) 7.162 6.953 ( -5.286 -6.788 3.687) 9.360 7.111 ( 3.290 2.183 5.895) 7.095 7.234 ( 1.531 -1.775 1.117) 2.597 7.410 ( -5.624 5.991 -2.474) 8.582 7.629 ( 9.144 -1.044 2.645) 9.576 8.287 ( 3.855 -1.587 4.432) 6.085 8.754 ( -9.574 -13.874 -3.317) 17.180 9.689 ( 0.513 11.793 -5.096) 12.857 10.314 ( -1.499 -1.910 3.435) 4.206 12.646 ( 2.344 0.940 -2.855) 3.811 14.481 ( 8.146 -5.078 20.395) 22.541 15.385 ( -11.073 -14.436 -13.754) 22.808 17.024 ( -5.105 -2.297 2.796) 6.257 17.290 ( -2.671 0.043 -0.269) 2.684 17.948 ( -2.466 9.754 -10.032) 14.208 17.989 ( 9.494 12.753 0.873) 15.923 18.715 ( -0.325 1.360 1.086) 1.770 ======================= Grid point 143 (65/150) ======================= q-point: (-0.12 0.00 0.25) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( 0.158 10.949 15.738) 19.173 1.015 ( 12.138 14.801 27.120) 33.195 1.833 ( -32.715 -0.788 25.898) 41.733 2.077 ( -5.464 3.591 0.887) 6.598 2.384 ( -7.528 4.662 -1.406) 8.965 2.442 ( 1.918 0.206 -3.272) 3.799 2.802 ( -4.509 -3.041 -2.351) 5.925 2.876 ( -4.065 -2.338 -1.726) 4.997 3.009 ( 1.044 0.607 1.809) 2.175 3.263 ( 1.286 7.608 -0.663) 7.745 3.463 ( -7.756 -3.484 6.020) 10.418 3.590 ( -3.168 5.059 1.707) 6.208 3.697 ( 0.617 -3.995 2.636) 4.826 3.815 ( -7.282 2.540 0.906) 7.765 4.054 ( -6.692 -0.002 8.021) 10.445 4.193 ( 8.401 -1.248 3.313) 9.117 4.377 ( 4.633 1.123 -11.839) 12.763 4.622 ( 0.316 -4.628 0.564) 4.673 4.896 ( 9.881 -2.864 -6.450) 12.142 4.982 ( 3.277 -1.466 -5.700) 6.737 5.151 ( -3.317 0.189 -12.125) 12.572 5.395 ( 4.140 -0.049 -2.851) 5.028 5.480 ( 11.686 -6.025 -9.325) 16.118 6.097 ( 6.432 4.479 -0.899) 7.890 6.189 ( 3.711 3.851 -4.957) 7.292 6.900 ( -9.212 -5.087 3.241) 11.011 7.022 ( -12.839 5.175 2.965) 14.156 7.295 ( 4.970 3.028 -4.082) 7.109 7.303 ( 2.785 -0.432 5.714) 6.372 7.824 ( 8.563 -2.539 5.156) 10.313 8.413 ( -3.437 0.727 4.974) 6.090 8.874 ( 9.055 -20.835 7.018) 23.777 9.533 ( 2.161 15.853 -6.382) 17.225 10.249 ( -7.555 0.177 -0.162) 7.559 12.719 ( 7.199 -0.089 -1.114) 7.285 14.718 ( 2.998 -0.717 8.597) 9.133 15.412 ( -2.483 -24.473 0.413) 24.602 16.970 ( -5.297 -2.597 0.783) 5.951 17.255 ( -0.449 0.673 0.215) 0.837 17.645 ( -3.308 22.905 -8.310) 24.590 18.105 ( 13.293 4.958 5.246) 15.126 18.689 ( -2.180 0.302 -0.155) 2.206 ======================= Grid point 145 (66/150) ======================= q-point: ( 0.12 0.12 0.25) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( 16.371 0.000 14.245) 21.701 1.602 ( 17.463 0.000 16.930) 24.322 1.953 ( 1.911 0.000 -0.441) 1.961 2.243 ( -0.251 -0.000 -11.733) 11.736 2.502 ( 9.396 0.000 -2.458) 9.712 2.535 ( 9.226 0.000 1.181) 9.301 2.816 ( 9.746 0.000 9.889) 13.885 2.887 ( -6.560 -0.000 8.773) 10.954 2.906 ( 9.003 0.000 5.061) 10.328 3.267 ( -5.021 -0.000 3.085) 5.893 3.491 ( 5.881 0.000 1.943) 6.193 3.535 ( 10.089 0.000 3.985) 10.848 3.767 ( -1.679 -0.000 -1.704) 2.393 3.905 ( -4.338 -0.000 -6.324) 7.669 4.022 ( -2.880 -0.000 2.166) 3.603 4.359 ( -4.901 -0.000 -2.846) 5.667 4.386 ( -10.082 -0.000 0.271) 10.086 4.465 ( 9.384 0.000 1.388) 9.486 4.532 ( -2.396 -0.000 4.656) 5.236 4.978 ( 0.165 0.000 -7.141) 7.143 5.061 ( -8.674 -0.000 -10.014) 13.248 5.231 ( -5.743 -0.000 -0.339) 5.753 5.373 ( 2.196 0.000 -7.314) 7.636 5.920 ( -1.007 -0.000 -3.283) 3.434 6.163 ( -5.053 -0.000 -2.840) 5.797 6.963 ( -1.006 -0.000 1.497) 1.804 7.028 ( 4.995 0.000 6.706) 8.362 7.463 ( -8.686 -0.000 -5.374) 10.214 7.486 ( -1.184 -0.000 2.303) 2.590 7.630 ( -5.256 -0.000 2.031) 5.635 8.275 ( 7.595 0.000 10.853) 13.247 9.469 ( 6.795 0.000 -2.629) 7.286 9.482 ( -13.166 -0.000 -13.684) 18.989 10.056 ( 5.055 0.000 6.131) 7.946 12.747 ( -2.656 -0.000 -1.371) 2.989 14.546 ( -9.161 -0.000 15.632) 18.119 15.626 ( 0.829 0.000 -18.374) 18.393 17.124 ( 4.434 0.000 1.954) 4.846 17.237 ( -1.383 -0.000 0.358) 1.428 17.603 ( 9.165 0.000 -0.955) 9.215 18.303 ( -7.055 -0.000 -4.398) 8.314 18.843 ( 4.313 0.000 -1.597) 4.599 ======================= Grid point 146 (67/150) ======================= q-point: ( 0.25 0.12 0.25) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( 20.827 -0.818 5.515) 21.560 1.924 ( 9.284 -5.166 2.378) 10.887 1.987 ( 3.886 3.229 0.697) 5.101 2.306 ( 11.454 2.281 5.034) 12.718 2.553 ( -4.492 1.667 -13.194) 14.037 2.654 ( 6.146 -1.861 -2.653) 6.948 2.777 ( -7.206 1.251 9.207) 11.758 2.990 ( 6.953 -1.086 2.437) 7.447 3.032 ( 1.571 -3.274 1.327) 3.866 3.185 ( -4.525 -1.374 1.044) 4.843 3.595 ( 5.483 -5.661 2.546) 8.282 3.684 ( 0.475 4.992 1.941) 5.377 3.817 ( -2.587 -4.848 2.956) 6.239 3.949 ( 11.135 -1.333 11.662) 16.179 4.009 ( 3.885 1.010 -2.696) 4.836 4.138 ( -10.511 6.529 -1.076) 12.421 4.298 ( -3.048 -1.741 0.897) 3.623 4.461 ( -5.910 0.109 2.733) 6.512 4.651 ( 9.070 0.511 1.224) 9.166 4.850 ( -3.294 4.869 -8.641) 10.451 4.954 ( -5.800 -3.982 -7.938) 10.607 5.166 ( 0.332 2.891 -2.052) 3.561 5.382 ( -1.075 -3.176 -1.980) 3.894 5.900 ( -1.995 -1.398 -0.842) 2.578 6.085 ( -0.453 1.372 -4.623) 4.844 6.901 ( -6.150 -0.145 4.541) 7.646 7.103 ( 1.606 2.052 6.861) 7.339 7.272 ( -8.513 -0.158 -4.694) 9.723 7.444 ( -3.129 0.602 0.347) 3.206 7.610 ( -0.352 -2.812 -5.411) 6.109 8.436 ( 7.740 2.888 10.009) 12.978 9.166 ( -15.311 0.787 -16.080) 22.217 9.620 ( 9.198 -2.642 -1.172) 9.641 10.136 ( 1.377 0.755 8.128) 8.279 12.711 ( -0.799 0.018 -2.183) 2.324 14.409 ( -11.249 1.719 15.708) 19.397 15.555 ( 2.072 3.454 -19.096) 19.516 17.156 ( 0.509 2.325 3.281) 4.053 17.256 ( -0.977 -4.735 0.741) 4.891 17.793 ( 10.867 -2.023 -1.960) 11.226 18.169 ( -6.024 0.163 -4.540) 7.545 18.875 ( 1.432 1.739 -0.518) 2.311 ======================= Grid point 147 (68/150) ======================= q-point: ( 0.38 0.12 0.25) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( 14.386 1.315 -4.303) 15.073 1.961 ( 3.109 6.782 -1.981) 7.719 2.089 ( -0.696 -2.536 0.575) 2.692 2.274 ( -13.140 1.364 -11.404) 17.452 2.550 ( 13.367 5.216 13.551) 19.736 2.717 ( -6.289 -6.891 7.640) 12.058 2.741 ( 2.854 -1.753 -2.155) 3.982 3.063 ( -0.872 -4.956 7.045) 8.658 3.151 ( -0.776 -1.470 -1.677) 2.361 3.212 ( 10.867 0.412 2.129) 11.081 3.560 ( -8.184 5.811 -4.197) 10.879 3.690 ( -1.371 1.551 1.607) 2.621 3.810 ( -0.774 -6.316 -2.084) 6.695 3.900 ( -8.654 2.471 11.053) 14.254 4.044 ( 1.106 0.675 -2.223) 2.573 4.086 ( 0.259 -1.688 -3.023) 3.472 4.397 ( -4.759 -3.576 5.075) 7.822 4.430 ( 8.619 2.996 6.446) 11.172 4.752 ( 4.599 3.194 2.527) 6.143 4.768 ( 0.586 1.318 -9.879) 9.984 4.853 ( -1.872 -2.064 -4.186) 5.029 5.161 ( 3.078 1.959 -5.136) 6.300 5.401 ( -0.222 -3.609 -1.934) 4.100 5.878 ( -1.753 -1.912 0.700) 2.686 6.089 ( 4.285 1.690 -3.948) 6.066 6.835 ( -3.431 -0.769 6.263) 7.182 7.101 ( -1.080 1.767 5.197) 5.594 7.160 ( -3.090 -1.009 -4.539) 5.582 7.395 ( -1.557 0.210 2.603) 3.041 7.609 ( -1.044 -2.962 -7.476) 8.109 8.538 ( 4.320 5.149 8.420) 10.774 8.825 ( -15.442 -0.733 -17.470) 23.328 9.813 ( 8.265 -3.265 -0.903) 8.932 10.159 ( 0.108 1.797 8.377) 8.568 12.694 ( -0.124 0.352 -2.594) 2.621 14.270 ( -7.674 1.493 13.386) 15.502 15.476 ( -1.071 1.070 -16.107) 16.178 17.135 ( -1.970 1.452 3.662) 4.404 17.285 ( -1.960 -4.130 1.156) 4.715 17.996 ( 11.394 -0.578 -3.084) 11.818 18.061 ( -4.093 0.024 -3.915) 5.664 18.864 ( 1.049 3.345 -0.438) 3.533 ======================= Grid point 148 (69/150) ======================= q-point: (-0.50 0.12 0.25) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( -9.076 15.450 -4.832) 18.559 1.883 ( -0.389 12.837 -6.326) 14.316 2.097 ( -7.319 -7.379 -1.882) 10.563 2.188 ( 3.036 -3.792 2.629) 5.523 2.682 ( 4.034 2.323 4.616) 6.556 2.700 ( -8.911 -4.573 9.018) 13.478 2.816 ( 0.108 1.553 1.249) 1.996 3.079 ( -0.028 -0.290 4.767) 4.776 3.149 ( 1.074 -0.507 -0.903) 1.492 3.328 ( -7.189 0.138 2.598) 7.645 3.410 ( 3.398 1.936 6.124) 7.266 3.682 ( -6.057 2.280 3.063) 7.160 3.704 ( 2.314 0.615 -4.410) 5.019 3.834 ( -8.593 -3.135 7.051) 11.549 4.112 ( 5.853 -6.927 -0.385) 9.077 4.160 ( 4.377 0.126 -2.320) 4.955 4.364 ( -7.646 -4.034 5.906) 10.470 4.425 ( 2.523 3.786 -0.639) 4.595 4.639 ( -4.434 6.803 -6.002) 10.097 4.782 ( 4.560 3.591 -5.879) 8.261 5.038 ( 9.523 -6.538 -0.255) 11.554 5.179 ( 3.931 0.942 -6.732) 7.853 5.423 ( 0.694 -0.974 -5.862) 5.983 5.900 ( 0.425 -3.714 -1.622) 4.075 6.166 ( 7.837 1.551 -1.058) 8.059 6.845 ( -0.467 -1.241 7.197) 7.318 7.080 ( -1.334 -0.761 2.549) 2.976 7.147 ( 1.103 -1.365 -2.787) 3.294 7.430 ( 2.504 -1.220 8.211) 8.670 7.582 ( -1.756 -1.635 -6.538) 6.964 8.432 ( -9.412 5.801 -6.161) 12.656 8.633 ( -4.001 -2.879 -2.682) 5.612 9.925 ( 3.621 2.098 -1.893) 4.593 10.196 ( 1.681 -1.215 6.210) 6.547 12.677 ( 0.331 0.926 -2.841) 3.006 14.231 ( -2.085 -1.471 13.420) 13.660 15.360 ( -6.797 -1.812 -12.545) 14.383 17.083 ( -3.653 0.998 3.166) 4.936 17.290 ( -2.245 -2.607 1.349) 3.696 17.991 ( -2.329 0.035 -2.007) 3.075 18.179 ( 11.803 2.109 -5.676) 13.265 18.836 ( 1.039 4.576 -1.137) 4.828 ======================= Grid point 149 (70/150) ======================= q-point: (-0.38 0.12 0.25) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( -7.245 18.508 1.106) 19.906 1.669 ( 0.311 22.182 2.933) 22.377 1.972 ( -16.695 -11.481 2.482) 20.413 2.324 ( 7.319 0.318 -0.015) 7.326 2.470 ( -14.309 4.770 5.810) 16.164 2.717 ( -3.451 -0.467 -2.930) 4.550 2.813 ( 1.037 3.939 9.228) 10.087 2.988 ( -10.031 3.819 1.166) 10.796 3.093 ( -6.864 1.858 1.012) 7.183 3.324 ( 5.815 -6.339 6.814) 10.974 3.442 ( -1.902 3.677 3.623) 5.502 3.603 ( -4.903 0.128 7.440) 8.911 3.746 ( 0.656 -3.689 4.373) 5.758 3.766 ( -1.322 -0.025 -1.879) 2.297 4.222 ( -0.256 -4.306 2.185) 4.835 4.223 ( -10.848 -4.056 5.784) 12.945 4.342 ( 2.943 -0.470 -4.542) 5.432 4.456 ( 7.027 7.448 -5.786) 11.761 4.535 ( 9.022 -0.534 -6.476) 11.118 4.836 ( 6.093 -0.861 -6.245) 8.767 5.186 ( 2.180 -3.800 -5.768) 7.243 5.255 ( 4.783 -2.582 -4.338) 6.954 5.394 ( 1.233 2.170 -10.343) 10.640 5.953 ( 1.892 -4.082 -3.654) 5.796 6.302 ( 9.630 2.636 -0.886) 10.023 6.849 ( -3.766 -2.020 3.355) 5.434 7.131 ( 2.322 -1.421 6.327) 6.888 7.193 ( 3.306 -1.525 0.195) 3.646 7.476 ( -4.879 -0.494 3.183) 5.846 7.589 ( 3.502 -2.228 -1.553) 4.431 8.264 ( -0.001 0.609 0.871) 1.063 8.572 ( -7.247 -2.389 1.050) 7.702 9.905 ( 2.506 7.277 -4.725) 9.032 10.258 ( -0.361 -2.844 2.801) 4.008 12.673 ( 2.174 1.252 -2.791) 3.752 14.339 ( 2.891 -6.486 17.060) 18.479 15.181 ( -12.834 -4.009 -8.328) 15.816 17.016 ( -3.690 0.782 1.778) 4.170 17.278 ( -1.696 -0.808 1.547) 2.434 17.960 ( -0.994 -0.166 -0.569) 1.157 18.310 ( 11.896 6.982 -9.666) 16.843 18.788 ( 0.340 5.023 -1.810) 5.350 ======================= Grid point 150 (71/150) ======================= q-point: (-0.25 0.12 0.25) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( 0.564 20.499 6.745) 21.587 1.468 ( -1.193 18.939 16.542) 25.174 1.811 ( -12.570 -1.752 12.076) 17.519 2.177 ( -11.670 6.074 8.879) 15.872 2.467 ( 2.299 3.002 -5.165) 6.401 2.492 ( -7.260 2.872 6.755) 10.324 2.754 ( -5.978 -1.720 -6.303) 8.855 2.905 ( 0.853 7.046 2.379) 7.485 3.015 ( -0.593 0.090 2.421) 2.494 3.403 ( 1.605 2.198 4.418) 5.189 3.481 ( -6.816 4.653 1.913) 8.472 3.510 ( 2.414 -7.116 5.777) 9.479 3.697 ( -3.875 -0.043 -1.474) 4.146 3.849 ( -1.211 -1.942 2.638) 3.492 4.041 ( -8.816 -0.040 4.244) 9.784 4.216 ( 2.242 4.332 4.079) 6.358 4.386 ( 1.183 -4.119 -1.713) 4.615 4.499 ( 4.580 -0.694 -10.325) 11.317 4.791 ( 10.437 -5.719 -4.101) 12.588 4.929 ( 3.785 -2.657 -6.065) 7.627 5.164 ( -1.004 -0.267 -11.394) 11.441 5.316 ( -1.000 -5.251 -6.683) 8.558 5.419 ( 6.887 0.190 -8.146) 10.669 6.042 ( 3.782 -5.636 -3.085) 7.455 6.392 ( 7.222 7.654 -5.964) 12.096 6.808 ( -4.549 -2.170 3.168) 5.953 7.114 ( -9.509 1.452 2.890) 10.044 7.277 ( 2.433 -0.985 5.824) 6.389 7.399 ( 3.719 4.637 -0.738) 5.990 7.705 ( 4.003 -7.656 2.285) 8.937 8.424 ( -14.002 -3.289 1.940) 14.513 8.488 ( 16.354 -6.505 14.996) 23.122 9.832 ( 3.429 9.960 -9.296) 14.049 10.244 ( -4.508 -0.938 -0.161) 4.608 12.720 ( 5.305 0.221 -2.008) 5.677 14.610 ( 8.443 -11.284 19.006) 23.661 14.958 ( -16.554 -7.912 0.124) 18.348 16.959 ( -1.926 0.879 0.229) 2.129 17.267 ( -0.362 0.459 1.727) 1.823 17.928 ( -1.657 3.066 -2.818) 4.482 18.369 ( 12.231 11.513 -11.917) 20.595 18.726 ( -0.796 3.894 -1.879) 4.396 ======================= Grid point 151 (72/150) ======================= q-point: (-0.12 0.12 0.25) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( 9.686 14.074 15.181) 22.855 1.223 ( -19.999 4.997 24.038) 31.667 1.801 ( 15.173 14.642 27.020) 34.274 2.030 ( -3.314 1.762 2.692) 4.619 2.310 ( -3.110 1.040 0.124) 3.281 2.524 ( -0.696 2.807 -4.962) 5.743 2.637 ( -1.869 3.512 -8.174) 9.090 2.857 ( -0.190 -0.232 4.431) 4.441 3.055 ( 1.926 -0.567 4.170) 4.629 3.219 ( -12.253 7.288 -1.913) 14.385 3.440 ( 0.205 2.333 5.357) 5.847 3.632 ( 0.080 6.934 0.907) 6.993 3.677 ( 8.594 -5.147 1.530) 10.134 3.791 ( -1.793 0.174 -0.205) 1.813 4.004 ( -2.510 -2.351 9.086) 9.715 4.293 ( 3.905 -3.062 1.189) 5.103 4.431 ( 3.765 0.232 -6.731) 7.716 4.527 ( -3.277 -6.321 -2.417) 7.520 4.849 ( -7.491 -2.123 -4.895) 9.197 4.969 ( 0.924 -2.170 -7.366) 7.734 5.180 ( 7.673 3.086 -14.579) 16.762 5.313 ( -4.659 -10.220 -6.397) 12.926 5.486 ( 1.637 -1.131 -7.463) 7.724 6.170 ( 1.732 -5.677 -0.430) 5.951 6.264 ( -5.288 10.154 -12.289) 16.796 6.792 ( 0.961 -0.396 4.522) 4.640 6.943 ( -2.908 5.086 7.201) 9.283 7.370 ( 3.331 -1.753 6.473) 7.488 7.454 ( 7.809 5.651 -1.017) 9.693 7.895 ( 3.320 -8.923 7.074) 11.861 8.174 ( -17.473 -1.081 3.954) 17.947 8.986 ( 17.258 -14.285 11.126) 25.013 9.745 ( 4.370 9.803 -10.743) 15.186 10.121 ( -6.959 3.110 -2.661) 8.073 12.807 ( 2.941 -1.327 -1.662) 3.629 14.699 ( -6.127 2.200 1.316) 6.641 15.149 ( 6.363 -30.603 18.020) 36.080 16.942 ( 1.716 1.010 -0.422) 2.036 17.273 ( 1.218 0.870 1.605) 2.195 17.760 ( -3.198 14.724 -8.110) 17.111 18.436 ( 8.928 4.296 -6.242) 11.710 18.668 ( 1.059 3.591 -2.734) 4.636 ======================= Grid point 154 (73/150) ======================= q-point: ( 0.25 0.25 0.25) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( 15.706 0.000 3.434) 16.077 1.962 ( 1.697 0.000 -7.637) 7.823 2.115 ( 4.788 0.000 3.726) 6.067 2.348 ( -11.621 -0.000 -19.956) 23.093 2.600 ( -6.295 -0.000 10.541) 12.277 2.623 ( 12.370 0.000 14.038) 18.711 2.729 ( -0.818 -0.000 -0.393) 0.908 2.991 ( 1.465 0.000 2.625) 3.006 3.151 ( 1.788 0.000 0.997) 2.047 3.214 ( 11.233 0.000 2.569) 11.523 3.631 ( -9.440 -0.000 -3.805) 10.178 3.656 ( 4.062 0.000 -2.289) 4.663 3.750 ( -3.999 -0.000 4.695) 6.167 3.976 ( -9.397 -0.000 14.461) 17.246 3.991 ( -7.296 -0.000 -1.827) 7.521 4.102 ( 6.443 0.000 -9.683) 11.631 4.330 ( -8.082 -0.000 0.532) 8.100 4.471 ( 16.432 0.000 12.491) 20.640 4.784 ( 0.072 0.000 -11.045) 11.045 4.816 ( -5.341 -0.000 -2.425) 5.866 4.819 ( 4.758 0.000 -1.719) 5.059 5.189 ( 1.454 0.000 -5.320) 5.515 5.347 ( 0.685 0.000 1.713) 1.845 5.851 ( -2.597 -0.000 0.543) 2.653 6.109 ( 4.553 0.000 -5.506) 7.144 6.826 ( -3.455 -0.000 5.902) 6.838 7.124 ( -3.367 -0.000 4.713) 5.792 7.150 ( -3.499 -0.000 -2.507) 4.305 7.396 ( -2.376 -0.000 1.939) 3.067 7.568 ( 0.508 0.000 -8.368) 8.384 8.597 ( 4.428 0.000 8.105) 9.236 8.830 ( -16.177 -0.000 -15.390) 22.329 9.767 ( 9.722 0.000 -1.494) 9.836 10.181 ( -0.306 -0.000 7.985) 7.991 12.698 ( 0.126 0.000 -2.460) 2.463 14.288 ( -9.168 -0.000 13.456) 16.282 15.494 ( -2.710 -0.000 -17.108) 17.322 17.169 ( -2.973 -0.000 4.069) 5.039 17.217 ( -0.128 -0.000 2.031) 2.035 17.986 ( 12.804 0.000 -3.820) 13.362 18.062 ( -4.318 -0.000 -3.866) 5.796 18.904 ( 1.146 0.000 -0.582) 1.285 ======================= Grid point 155 (74/150) ======================= q-point: (-0.62 0.25 0.25) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( -12.697 -5.304 -0.710) 13.778 2.006 ( -5.543 6.183 -12.658) 15.139 2.118 ( -1.238 5.026 -0.873) 5.249 2.171 ( 8.477 1.416 3.834) 9.411 2.596 ( -0.580 -3.514 16.151) 16.539 2.686 ( 1.305 -0.382 -2.943) 3.242 2.925 ( 8.686 4.546 6.778) 11.918 3.033 ( -0.447 -1.922 6.252) 6.556 3.156 ( -0.470 0.567 -1.818) 1.961 3.358 ( 2.031 -2.331 7.304) 7.931 3.417 ( -8.583 3.510 -2.665) 9.648 3.657 ( -12.075 -4.367 2.162) 13.022 3.751 ( 3.915 2.222 -4.002) 6.023 3.816 ( -3.645 2.826 9.055) 10.162 3.948 ( 0.943 -5.713 -0.816) 5.848 4.191 ( -0.301 0.810 -5.003) 5.077 4.248 ( 1.778 -3.703 0.679) 4.164 4.599 ( -2.286 9.632 1.654) 10.036 4.705 ( -1.737 0.607 -9.311) 9.491 4.847 ( 6.465 -9.698 1.103) 11.707 4.904 ( 5.328 4.011 0.059) 6.670 5.193 ( 2.234 0.284 -7.466) 7.798 5.403 ( 4.091 -0.416 -3.709) 5.538 5.821 ( -1.994 -2.214 -0.485) 3.018 6.193 ( 7.429 0.582 -4.635) 8.776 6.832 ( 0.401 -0.202 7.984) 7.997 7.051 ( -5.605 -1.181 2.701) 6.333 7.133 ( 1.761 -0.154 -1.368) 2.236 7.392 ( -0.464 -1.365 5.912) 6.085 7.555 ( 0.912 -0.442 -7.935) 8.000 8.503 ( -13.315 0.520 -13.106) 18.690 8.650 ( -0.635 2.499 7.539) 7.968 9.928 ( 7.867 -0.765 -1.595) 8.063 10.191 ( -0.743 0.313 5.251) 5.313 12.693 ( 0.660 0.407 -2.560) 2.675 14.210 ( -5.032 -0.445 12.083) 13.097 15.348 ( -7.451 0.075 -12.313) 14.393 17.109 ( -4.076 0.944 3.196) 5.265 17.238 ( -0.213 -1.543 3.044) 3.419 17.991 ( -2.525 -0.017 -2.252) 3.384 18.193 ( 12.469 -0.125 -6.032) 13.852 18.912 ( 1.410 1.872 -1.668) 2.877 ======================= Grid point 156 (75/150) ======================= q-point: (-0.50 0.25 0.25) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( -22.974 -12.883 6.348) 27.094 1.778 ( -1.739 14.981 -0.235) 15.083 2.040 ( 1.467 10.293 1.161) 10.461 2.345 ( 9.482 0.817 2.717) 9.898 2.612 ( -5.949 6.898 9.950) 13.490 2.718 ( 0.368 0.789 -7.512) 7.563 2.855 ( 2.747 1.027 4.633) 5.484 3.062 ( -14.532 -3.329 6.446) 16.243 3.168 ( -8.432 5.918 6.183) 12.014 3.207 ( 2.333 -0.794 1.473) 2.871 3.445 ( -0.939 -2.829 12.429) 12.782 3.546 ( -1.458 -5.573 -0.345) 5.771 3.695 ( -2.753 -1.017 3.952) 4.923 3.833 ( 1.040 5.480 -1.665) 5.821 4.061 ( -4.620 -4.554 0.511) 6.508 4.211 ( 10.933 -3.710 -6.822) 13.410 4.281 ( -1.893 2.331 2.980) 4.231 4.533 ( 3.771 -0.089 -5.539) 6.701 4.649 ( 1.575 4.028 -6.599) 7.890 4.900 ( 2.807 5.408 -2.740) 6.680 5.026 ( 1.124 -7.451 -2.971) 8.100 5.221 ( 3.769 -1.147 -6.843) 7.896 5.435 ( 3.181 1.422 -10.234) 10.811 5.832 ( -0.649 -5.437 -3.679) 6.597 6.322 ( 8.696 -0.642 -3.179) 9.281 6.844 ( -2.245 1.011 4.211) 4.878 7.041 ( -2.132 -5.666 7.073) 9.310 7.181 ( 4.197 0.691 0.471) 4.279 7.432 ( -0.971 -2.355 5.248) 5.833 7.555 ( 1.355 -0.652 -5.980) 6.166 8.301 ( -3.044 1.709 -1.773) 3.916 8.590 ( -5.493 2.515 5.464) 8.146 10.018 ( 4.404 2.865 -3.061) 6.081 10.201 ( -0.528 -1.804 1.387) 2.336 12.697 ( 1.917 0.831 -2.728) 3.436 14.223 ( -1.313 -3.546 13.211) 13.742 15.149 ( -10.870 0.025 -6.762) 12.801 17.040 ( -3.310 1.044 1.367) 3.730 17.260 ( -0.261 -0.726 3.677) 3.757 17.957 ( -0.833 -0.065 -0.265) 0.876 18.369 ( 10.504 0.183 -8.615) 13.586 18.895 ( 1.149 3.632 -3.432) 5.128 ======================= Grid point 157 (76/150) ======================= q-point: (-0.38 0.25 0.25) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( -19.550 -13.046 9.081) 25.197 1.596 ( 1.470 20.577 7.554) 21.969 1.960 ( 2.514 11.982 8.021) 14.637 2.396 ( -4.220 10.674 6.604) 13.242 2.501 ( 4.040 1.464 8.084) 9.155 2.620 ( -9.949 7.330 1.702) 12.474 2.729 ( -10.142 -0.790 -1.446) 10.275 2.997 ( 5.737 0.114 2.732) 6.355 3.073 ( 0.200 3.475 -0.094) 3.482 3.293 ( -0.584 -8.088 4.411) 9.231 3.454 ( -4.685 0.118 13.924) 14.692 3.640 ( -3.256 -4.514 0.231) 5.570 3.677 ( 3.132 11.673 -4.647) 12.949 3.740 ( 0.722 -4.798 3.121) 5.770 4.049 ( -7.546 -1.620 3.366) 8.420 4.179 ( -0.135 -4.349 2.792) 5.170 4.389 ( 1.598 3.544 -5.585) 6.804 4.591 ( 4.455 4.148 -10.409) 12.058 4.666 ( 8.072 -3.812 -3.138) 9.462 4.904 ( 3.382 1.459 -4.215) 5.597 5.057 ( -3.618 -7.635 -7.222) 11.115 5.266 ( 1.238 -0.601 -7.650) 7.772 5.430 ( 4.489 0.878 -13.234) 14.002 5.893 ( 1.339 -7.282 -6.299) 9.721 6.460 ( 5.410 -1.409 -4.124) 6.947 6.801 ( -2.040 0.777 3.150) 3.832 7.067 ( -5.284 -4.607 5.443) 8.875 7.260 ( 2.406 -0.324 6.414) 6.858 7.472 ( 4.851 1.036 3.926) 6.326 7.559 ( -0.306 -3.372 -5.228) 6.229 8.335 ( -2.063 -0.717 5.662) 6.069 8.505 ( 3.445 2.170 10.522) 11.283 10.002 ( 1.735 5.594 -7.763) 9.725 10.206 ( -2.143 -2.219 -0.653) 3.153 12.728 ( 3.650 0.438 -2.773) 4.605 14.348 ( 1.005 -9.425 16.805) 19.293 14.932 ( -10.329 1.637 -1.650) 10.588 16.987 ( -1.187 1.365 -0.322) 1.838 17.274 ( 0.109 0.208 3.940) 3.947 17.956 ( 0.400 0.428 0.851) 1.034 18.479 ( 6.431 0.680 -11.128) 12.870 18.845 ( 0.793 5.000 -5.577) 7.532 ======================= Grid point 158 (77/150) ======================= q-point: (-0.25 0.25 0.25) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( -16.915 -0.164 17.506) 24.343 1.444 ( 6.994 19.191 6.320) 21.381 1.937 ( -1.095 -0.633 7.948) 8.048 2.274 ( 4.208 18.508 13.786) 23.459 2.368 ( -3.986 3.441 9.279) 10.668 2.564 ( -3.335 1.900 -6.325) 7.399 2.695 ( 8.188 1.781 -1.123) 8.454 2.972 ( -2.590 4.661 2.336) 5.821 3.094 ( 1.454 5.152 4.283) 6.856 3.298 ( -8.545 0.393 -1.158) 8.632 3.453 ( -3.356 -4.128 11.237) 12.432 3.577 ( 8.935 -0.041 -0.608) 8.956 3.728 ( 2.597 1.561 -0.250) 3.040 3.791 ( -1.710 -1.594 -0.819) 2.477 3.948 ( -3.921 -1.528 6.803) 7.999 4.287 ( 0.181 -5.975 6.330) 8.707 4.324 ( -0.251 2.199 -3.771) 4.373 4.529 ( 0.446 4.274 -13.503) 14.170 4.792 ( -0.576 -3.356 -4.189) 5.399 4.917 ( 0.008 -1.770 -5.672) 5.942 5.074 ( -5.297 -9.802 -6.481) 12.890 5.242 ( 6.579 2.030 -13.067) 14.770 5.472 ( 2.839 -0.958 -9.377) 9.844 5.986 ( 1.535 -8.661 -6.551) 10.967 6.420 ( -7.876 2.215 -7.627) 11.186 6.801 ( 1.778 0.407 2.650) 3.217 7.030 ( -1.780 2.082 7.754) 8.224 7.328 ( 2.249 -1.745 6.075) 6.709 7.589 ( 8.009 4.408 -0.690) 9.168 7.643 ( 2.683 -9.851 5.386) 11.543 8.158 ( -14.702 -0.103 3.047) 15.015 8.807 ( 17.799 -2.936 15.466) 23.762 9.899 ( -2.409 4.908 -11.779) 12.986 10.165 ( -2.954 0.502 -2.017) 3.612 12.782 ( 2.521 -0.815 -2.491) 3.637 14.570 ( -5.175 -16.839 20.802) 27.259 14.801 ( 4.109 2.662 -0.198) 4.900 16.971 ( 1.574 1.461 -0.796) 2.291 17.293 ( 0.998 0.696 3.679) 3.874 17.944 ( 0.040 3.726 -1.235) 3.926 18.489 ( 0.261 0.534 -10.486) 10.503 18.782 ( 1.698 5.025 -7.173) 8.921 ======================= Grid point 159 (78/150) ======================= q-point: (-0.12 0.25 0.25) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( -4.094 7.690 18.401) 20.359 1.489 ( 13.668 12.478 11.836) 21.968 2.003 ( 3.396 -1.496 0.765) 3.789 2.157 ( -4.412 2.584 -5.509) 7.516 2.380 ( 0.999 0.964 8.337) 8.452 2.579 ( 14.879 11.293 9.400) 20.911 2.782 ( 6.213 9.185 1.971) 11.263 2.903 ( 1.462 3.899 1.407) 4.396 3.030 ( -6.762 0.315 8.363) 10.759 3.156 ( -1.431 2.682 -1.765) 3.515 3.491 ( 2.111 -0.086 8.132) 8.402 3.709 ( -3.674 -2.767 -0.243) 4.606 3.746 ( 0.626 4.264 -4.119) 5.961 3.806 ( 8.426 -2.384 2.880) 9.218 3.981 ( 1.067 -1.593 6.546) 6.821 4.290 ( -1.438 -1.803 -3.557) 4.239 4.360 ( -3.155 -7.988 3.277) 9.192 4.436 ( -2.714 1.011 -8.751) 9.218 4.709 ( -5.453 3.552 -3.488) 7.384 4.930 ( 0.902 -3.311 -8.393) 9.067 5.011 ( -6.493 -7.732 -6.921) 12.241 5.358 ( 8.980 0.738 -9.638) 13.194 5.434 ( -4.598 0.482 -6.504) 7.980 6.072 ( -1.523 -9.158 -5.135) 10.609 6.167 ( -9.277 6.259 -4.491) 12.058 6.862 ( 4.001 -0.601 1.306) 4.251 7.022 ( 0.756 3.298 6.361) 7.205 7.414 ( 1.787 -2.566 4.626) 5.584 7.657 ( 5.901 5.763 -1.492) 8.382 7.733 ( -12.002 -6.028 3.916) 13.990 8.010 ( 0.554 -3.916 7.411) 8.400 9.196 ( 14.520 -4.388 8.986) 17.631 9.728 ( -7.444 1.934 -12.175) 14.401 10.093 ( -1.065 3.339 -1.495) 3.810 12.790 ( -1.670 -0.722 -1.802) 2.561 14.574 ( -10.260 -5.400 16.055) 19.804 15.111 ( 14.582 -14.928 -1.672) 20.935 17.007 ( 3.990 0.636 0.330) 4.054 17.320 ( 1.647 1.025 2.440) 3.117 17.838 ( -0.966 10.709 -5.391) 12.028 18.414 ( -5.113 -0.855 -5.851) 7.817 18.764 ( 3.651 1.600 -5.548) 6.831 ======================= Grid point 163 (79/150) ======================= q-point: ( 0.38 -0.62 0.25) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( -25.669 -0.000 8.603) 27.072 1.969 ( 2.071 0.000 -2.660) 3.371 2.155 ( -0.327 -0.000 3.886) 3.899 2.349 ( 9.974 0.000 3.831) 10.684 2.685 ( 3.147 0.000 10.386) 10.852 2.749 ( 2.766 0.000 -5.444) 6.106 2.899 ( -5.362 -0.000 -1.897) 5.688 2.962 ( -9.627 -0.000 10.177) 14.009 3.225 ( -21.171 -0.000 13.447) 25.081 3.234 ( 3.758 0.000 -1.153) 3.930 3.432 ( 3.980 0.000 5.122) 6.487 3.447 ( -2.118 -0.000 1.713) 2.724 3.666 ( -5.575 -0.000 6.143) 8.296 3.888 ( -0.341 -0.000 -2.290) 2.315 4.079 ( 16.808 0.000 -5.595) 17.715 4.109 ( -3.529 -0.000 -0.249) 3.538 4.373 ( 9.235 0.000 -5.449) 10.723 4.512 ( -10.751 -0.000 -3.266) 11.236 4.688 ( 2.460 0.000 -6.489) 6.940 4.842 ( 0.284 0.000 -4.132) 4.142 5.052 ( 6.560 0.000 4.382) 7.889 5.202 ( 2.256 0.000 -8.281) 8.583 5.453 ( 3.857 0.000 -10.605) 11.285 5.761 ( -2.420 -0.000 -3.142) 3.966 6.304 ( 6.654 0.000 -5.996) 8.957 6.875 ( -0.098 -0.000 6.585) 6.586 6.949 ( -4.967 -0.000 4.521) 6.717 7.199 ( 5.395 0.000 0.844) 5.460 7.398 ( -0.344 -0.000 7.091) 7.099 7.551 ( 1.239 0.000 -8.160) 8.254 8.321 ( -3.158 -0.000 -1.878) 3.675 8.627 ( -6.294 -0.000 6.791) 9.260 10.045 ( 6.096 0.000 -1.668) 6.320 10.183 ( -1.448 -0.000 0.018) 1.449 12.707 ( 1.786 0.000 -2.702) 3.239 14.183 ( -2.708 -0.000 11.810) 12.116 15.152 ( -10.158 -0.000 -6.516) 12.068 17.053 ( -3.360 -0.000 1.244) 3.583 17.251 ( 0.410 0.000 4.658) 4.676 17.957 ( -0.782 -0.000 -0.186) 0.804 18.366 ( 10.213 0.000 -8.690) 13.410 18.936 ( 1.042 0.000 -3.490) 3.642 ======================= Grid point 165 (80/150) ======================= q-point: (-0.50 0.38 0.25) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( -20.562 -9.304 14.252) 26.692 2.017 ( 7.020 14.126 9.339) 18.331 2.154 ( 0.572 3.963 9.631) 10.431 2.506 ( 0.488 1.239 9.385) 9.479 2.564 ( -10.114 0.440 -2.990) 10.555 2.692 ( -13.467 -0.708 8.135) 15.749 2.763 ( 0.376 3.144 1.274) 3.413 3.003 ( 1.248 0.743 2.569) 2.951 3.064 ( 4.708 -3.067 4.877) 7.440 3.198 ( -2.871 0.251 -0.765) 2.982 3.450 ( -2.797 -1.001 10.983) 11.377 3.541 ( 1.469 -2.213 1.304) 2.959 3.645 ( -0.641 -2.258 1.493) 2.781 3.875 ( -1.394 -2.161 -3.679) 4.489 4.026 ( 0.329 7.927 0.453) 7.947 4.256 ( -6.658 7.254 1.036) 9.901 4.353 ( 10.368 -4.648 -6.578) 13.129 4.532 ( 4.386 -5.521 -5.652) 9.037 4.702 ( 1.449 2.070 -6.263) 6.754 4.820 ( -4.004 -6.326 -5.579) 9.337 5.106 ( 4.175 8.617 -1.360) 9.671 5.235 ( 2.902 -2.188 -5.752) 6.804 5.454 ( 2.788 0.814 -16.277) 16.535 5.736 ( -1.247 -5.591 -6.082) 8.354 6.377 ( 1.766 -3.704 -5.973) 7.247 6.838 ( -2.384 2.443 2.975) 4.528 6.960 ( -0.609 -4.115 6.159) 7.432 7.280 ( 2.462 1.493 2.249) 3.654 7.437 ( 0.134 -2.144 6.978) 7.301 7.554 ( 4.730 0.709 -5.670) 7.418 8.347 ( -1.149 0.760 5.425) 5.598 8.545 ( 0.447 1.091 10.616) 10.681 10.096 ( 1.046 2.995 -4.824) 5.773 10.154 ( -1.244 -2.261 -2.838) 3.835 12.736 ( 2.803 0.196 -3.032) 4.134 14.208 ( -1.571 -3.052 13.053) 13.497 14.968 ( -7.810 1.054 -1.463) 8.015 17.011 ( -1.038 0.609 -0.579) 1.336 17.276 ( 0.233 -0.004 5.495) 5.500 17.961 ( 0.973 0.129 1.663) 1.931 18.475 ( 5.779 -0.371 -10.758) 12.218 18.919 ( -0.167 1.546 -5.446) 5.664 ======================= Grid point 166 (81/150) ======================= q-point: (-0.38 0.38 0.25) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( -3.567 -10.939 14.537) 18.540 1.879 ( -4.236 17.733 10.743) 21.162 2.063 ( -5.027 11.543 9.169) 15.575 2.347 ( -9.527 -3.802 13.176) 16.698 2.592 ( 5.002 -1.622 1.403) 5.442 2.653 ( 2.178 11.307 2.336) 11.749 2.762 ( 8.466 4.050 0.956) 9.434 2.997 ( -1.755 -0.254 4.646) 4.972 3.141 ( -1.107 -1.430 0.651) 1.922 3.258 ( 2.502 -2.725 4.805) 6.064 3.440 ( -2.179 3.446 3.366) 5.287 3.541 ( -0.828 -4.605 4.572) 6.541 3.674 ( -2.181 -4.423 0.074) 4.931 3.839 ( -1.127 0.980 -1.699) 2.262 3.953 ( -1.458 4.859 3.054) 5.921 4.173 ( 1.804 0.528 3.242) 3.747 4.421 ( -0.221 2.152 -6.454) 6.807 4.626 ( -3.742 2.107 -7.905) 8.997 4.680 ( 5.665 -5.919 -7.114) 10.850 4.805 ( -4.174 -7.070 -4.917) 9.570 5.050 ( 1.385 8.233 -2.165) 8.624 5.262 ( 2.666 -0.297 -7.909) 8.351 5.445 ( 3.412 -1.074 -17.013) 17.385 5.791 ( 0.281 -8.966 -8.454) 12.327 6.377 ( -6.258 -4.818 -4.196) 8.943 6.801 ( -0.520 0.192 2.895) 2.948 7.038 ( 2.955 -0.955 5.975) 6.734 7.290 ( -0.288 -1.566 0.937) 1.847 7.476 ( -0.594 -2.991 3.911) 4.959 7.694 ( 12.287 2.779 3.701) 13.130 8.172 ( -14.472 1.155 1.805) 14.629 8.788 ( 16.595 0.239 16.688) 23.536 9.983 ( -5.690 2.599 -11.133) 12.770 10.154 ( -1.058 -0.977 -1.646) 2.187 12.770 ( 2.059 -0.248 -3.096) 3.726 14.289 ( -3.004 -8.074 15.628) 17.845 14.876 ( 1.321 2.923 -0.013) 3.208 17.001 ( 1.393 1.068 -1.111) 2.077 17.300 ( 0.275 0.041 5.559) 5.566 17.992 ( 2.078 1.103 2.108) 3.159 18.487 ( -0.180 -0.315 -11.329) 11.335 18.861 ( -1.172 2.062 -7.123) 7.508 ======================= Grid point 167 (82/150) ======================= q-point: (-0.25 0.38 0.25) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( 4.408 4.608 12.552) 14.079 1.741 ( 4.986 7.529 5.869) 10.769 1.959 ( 2.521 4.083 7.094) 8.564 2.320 ( -4.954 8.014 -3.586) 10.081 2.390 ( -4.530 1.279 3.832) 6.070 2.814 ( 10.662 7.538 5.647) 14.226 2.943 ( 14.767 5.064 10.943) 19.065 2.961 ( -5.041 -0.106 8.048) 9.497 3.143 ( 0.164 2.617 3.074) 4.040 3.168 ( -8.279 4.369 -4.305) 10.303 3.408 ( -0.103 -4.617 6.266) 7.784 3.625 ( -4.274 -4.824 0.852) 6.501 3.721 ( 4.348 -3.226 2.742) 6.069 3.843 ( 2.331 2.192 -0.993) 3.350 3.952 ( 4.576 -1.207 7.103) 8.536 4.215 ( -2.287 -2.986 1.366) 4.001 4.318 ( -5.218 2.805 -5.133) 7.839 4.491 ( -4.132 2.422 -7.339) 8.764 4.757 ( 1.738 -1.058 -3.082) 3.693 4.808 ( -1.997 -6.382 -9.537) 11.648 4.949 ( -1.057 4.894 -4.785) 6.926 5.347 ( 7.583 -2.322 -8.063) 11.309 5.424 ( -2.259 -1.034 -11.478) 11.743 5.859 ( -1.112 -9.538 -8.196) 12.625 6.239 ( -9.389 0.281 -2.064) 9.618 6.838 ( 1.863 -1.655 2.471) 3.509 7.086 ( 0.444 2.310 5.026) 5.550 7.342 ( 1.313 -4.303 1.892) 4.880 7.526 ( -1.795 -5.913 3.196) 6.957 7.857 ( -0.325 7.019 -0.514) 7.046 7.946 ( -0.350 -1.789 5.954) 6.227 9.153 ( 17.176 -0.108 14.323) 22.365 9.773 ( -9.632 1.984 -13.038) 16.331 10.122 ( -2.548 -0.352 -1.562) 3.009 12.778 ( -0.537 -0.367 -2.608) 2.688 14.365 ( -7.961 -10.303 17.350) 21.692 14.984 ( 13.803 0.465 -3.599) 14.272 17.028 ( 3.158 0.991 -0.080) 3.311 17.329 ( 0.693 -0.201 4.703) 4.758 18.002 ( 1.412 4.452 -0.566) 4.705 18.400 ( -5.207 -0.353 -9.004) 10.407 18.793 ( -1.119 0.902 -6.627) 6.781 ======================= Grid point 168 (83/150) ======================= q-point: (-0.12 0.38 0.25) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( 15.197 9.725 4.925) 18.702 1.843 ( 7.908 2.923 5.742) 10.200 2.043 ( -4.820 7.025 -3.743) 9.306 2.109 ( 9.273 -0.582 1.279) 9.379 2.466 ( 5.867 0.015 8.723) 10.513 2.784 ( -9.040 2.592 -2.216) 9.662 2.903 ( -1.971 2.353 0.923) 3.206 2.967 ( -0.001 6.799 0.289) 6.806 3.149 ( 7.902 7.211 10.607) 15.065 3.212 ( 6.570 0.207 3.822) 7.604 3.566 ( 1.485 -6.597 3.875) 7.794 3.597 ( 1.335 -4.094 4.300) 6.085 3.770 ( 0.972 2.437 2.152) 3.393 3.848 ( -0.542 0.312 3.914) 3.964 4.087 ( -5.145 -3.312 -1.055) 6.209 4.166 ( 4.322 4.265 -0.916) 6.141 4.237 ( -3.070 -6.665 3.645) 8.194 4.396 ( -1.515 0.556 -5.670) 5.896 4.715 ( -0.623 7.346 -0.199) 7.375 4.784 ( -2.489 -4.483 -10.882) 12.030 4.968 ( 4.888 -3.212 -4.551) 7.411 5.283 ( -9.264 1.191 -8.496) 12.627 5.453 ( 4.185 -0.815 -5.542) 6.992 5.904 ( -2.459 -8.426 -4.983) 10.093 6.090 ( -4.152 2.246 -1.219) 4.876 6.901 ( 1.359 -2.134 2.456) 3.526 7.056 ( -2.665 2.000 6.006) 6.868 7.407 ( 0.007 -3.204 1.265) 3.445 7.468 ( -11.171 -1.505 -0.970) 11.314 7.724 ( -1.629 0.067 -3.209) 3.599 8.130 ( 10.275 0.030 7.833) 12.921 9.411 ( 1.696 1.816 -4.651) 5.274 9.567 ( -0.001 1.032 -1.343) 1.693 10.082 ( -2.213 -1.129 1.612) 2.961 12.747 ( -1.737 0.090 -2.282) 2.869 14.373 ( -9.740 -7.937 16.580) 20.803 15.254 ( 14.998 -4.195 -10.167) 18.598 17.081 ( 3.052 0.325 1.735) 3.526 17.361 ( 1.135 0.164 2.444) 2.700 17.925 ( 0.231 8.475 -3.932) 9.345 18.275 ( -6.407 -1.080 -5.226) 8.338 18.770 ( 0.108 -2.007 -3.181) 3.763 ======================= Grid point 173 (84/150) ======================= q-point: (-0.50 0.50 0.25) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( 0.473 -0.000 19.433) 19.439 2.164 ( -24.318 -0.000 19.807) 31.364 2.212 ( 0.973 0.000 14.087) 14.121 2.333 ( -9.053 -0.000 -9.286) 12.969 2.455 ( 16.773 -0.000 17.055) 23.921 2.783 ( 7.322 0.000 5.301) 9.040 2.811 ( -0.900 -0.000 -7.927) 7.978 2.998 ( 0.756 -0.000 4.500) 4.563 3.125 ( -2.811 -0.000 0.238) 2.821 3.249 ( 7.926 -0.000 4.948) 9.343 3.431 ( -2.176 -0.000 11.559) 11.762 3.510 ( -2.853 -0.000 -3.897) 4.830 3.616 ( -2.134 -0.000 2.360) 3.181 3.786 ( -3.054 -0.000 -3.628) 4.743 4.070 ( -1.837 -0.000 3.641) 4.078 4.294 ( 3.953 -0.000 -1.563) 4.251 4.368 ( -2.774 0.000 -5.930) 6.547 4.542 ( 1.275 -0.000 -4.196) 4.386 4.667 ( -0.240 -0.000 -5.734) 5.739 4.739 ( 0.598 0.000 -7.651) 7.675 5.217 ( 1.374 -0.000 -6.646) 6.786 5.247 ( 1.138 0.000 2.258) 2.529 5.433 ( 3.219 -0.000 -21.789) 22.026 5.640 ( -1.330 -0.000 -7.466) 7.584 6.303 ( -3.905 -0.000 -5.003) 6.347 6.809 ( -2.470 -0.000 2.259) 3.348 7.019 ( 5.625 -0.000 5.278) 7.713 7.272 ( -2.088 0.000 -3.773) 4.312 7.451 ( -0.391 -0.000 8.181) 8.190 7.724 ( 12.605 -0.000 3.748) 13.150 8.190 ( -14.531 -0.000 1.450) 14.603 8.793 ( 16.243 -0.000 17.079) 23.570 10.013 ( -6.986 -0.000 -10.778) 12.844 10.140 ( -0.214 -0.000 -1.669) 1.683 12.768 ( 1.875 -0.000 -3.240) 3.744 14.200 ( -3.084 -0.000 13.347) 13.699 14.911 ( 1.342 -0.000 0.143) 1.350 17.014 ( 1.321 -0.000 -1.234) 1.807 17.300 ( -0.155 -0.000 6.290) 6.292 18.004 ( 2.615 -0.000 2.903) 3.907 18.483 ( 0.200 -0.000 -11.752) 11.754 18.882 ( -2.202 -0.000 -6.508) 6.871 ======================= Grid point 175 (85/150) ======================= q-point: (-0.38 0.50 0.25) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( 17.378 -2.289 13.718) 22.258 1.878 ( -7.829 5.184 13.044) 16.071 2.133 ( -4.317 6.133 -2.279) 7.838 2.328 ( 3.827 -1.985 13.144) 13.833 2.586 ( -8.530 10.581 -9.002) 16.302 2.891 ( 15.193 -4.524 12.829) 20.393 2.895 ( 1.706 -2.037 7.414) 7.876 2.993 ( -3.547 0.905 3.903) 5.351 3.099 ( -0.768 -1.596 -0.571) 1.861 3.315 ( 0.606 5.853 3.531) 6.862 3.421 ( -2.451 3.370 -0.481) 4.195 3.494 ( -2.138 -6.106 5.235) 8.322 3.640 ( 3.697 -3.187 4.392) 6.566 3.771 ( -0.062 -3.808 -0.153) 3.811 4.068 ( 3.109 6.640 3.285) 8.034 4.192 ( -6.930 -0.357 -0.780) 6.983 4.367 ( 0.713 0.961 -5.693) 5.817 4.498 ( -5.124 -1.449 -3.302) 6.265 4.691 ( 0.738 -2.322 -7.497) 7.883 4.741 ( 4.423 0.443 -7.683) 8.876 5.143 ( -2.170 8.112 -1.600) 8.549 5.254 ( 0.494 -4.371 -4.681) 6.423 5.411 ( 1.489 0.044 -17.176) 17.240 5.660 ( 0.737 -6.993 -7.193) 10.059 6.212 ( -6.032 -1.474 -2.714) 6.777 6.804 ( 0.373 -0.945 3.184) 3.342 7.130 ( 4.027 1.606 2.730) 5.124 7.240 ( -0.632 -3.451 -2.704) 4.429 7.468 ( -1.476 -0.561 7.419) 7.585 7.900 ( -12.798 -0.723 0.468) 12.826 7.990 ( 11.324 2.835 4.089) 12.369 9.162 ( 17.866 0.425 16.691) 24.453 9.808 ( -10.303 0.878 -13.299) 16.846 10.104 ( -3.581 -0.724 -1.662) 4.014 12.773 ( -0.032 -0.086 -2.950) 2.951 14.199 ( -5.335 -3.895 13.810) 15.308 15.017 ( 11.650 1.275 -2.646) 12.014 17.045 ( 2.770 0.452 -0.285) 2.821 17.319 ( -0.475 -0.414 6.082) 6.115 18.062 ( 3.103 1.207 2.365) 4.084 18.396 ( -4.985 -0.020 -10.990) 12.067 18.805 ( -3.272 0.223 -6.408) 7.199 ======================= Grid point 176 (86/150) ======================= q-point: (-0.25 0.50 0.25) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( 14.848 6.433 3.235) 16.502 1.879 ( 3.637 2.856 2.585) 5.298 2.107 ( 8.367 0.255 4.203) 9.367 2.269 ( -6.974 10.377 -3.798) 13.066 2.474 ( 6.046 0.335 11.442) 12.945 2.784 ( -16.394 -1.089 1.423) 16.492 2.992 ( 0.465 4.687 -1.224) 4.867 3.035 ( 1.930 -3.565 1.128) 4.208 3.213 ( -1.149 5.714 3.001) 6.556 3.311 ( 12.255 -3.174 9.836) 16.032 3.385 ( -1.043 0.074 3.496) 3.649 3.537 ( 0.012 -3.302 5.098) 6.074 3.724 ( -0.192 -2.052 1.643) 2.636 3.825 ( -5.406 -5.320 -1.273) 7.691 4.063 ( 2.564 -4.355 1.771) 5.355 4.166 ( 3.647 6.350 5.148) 8.951 4.286 ( -1.816 5.138 -2.004) 5.806 4.415 ( -2.833 0.829 -3.239) 4.382 4.696 ( -0.239 -3.572 -9.367) 10.028 4.807 ( 5.002 -1.024 -5.267) 7.336 5.001 ( -1.760 7.362 -3.502) 8.341 5.294 ( -5.363 -2.355 -4.758) 7.546 5.371 ( 2.341 -4.032 -9.184) 10.300 5.731 ( 1.766 -5.826 -5.367) 8.116 6.113 ( -4.911 -0.088 -0.878) 4.990 6.853 ( 1.374 -1.845 3.767) 4.414 7.111 ( -2.555 2.776 2.571) 4.566 7.314 ( 1.972 -4.744 -1.598) 5.380 7.450 ( -5.068 -0.015 3.942) 6.421 7.675 ( -8.954 -2.884 -3.882) 10.177 8.198 ( 11.442 4.094 5.579) 13.372 9.461 ( 3.636 2.109 -1.692) 4.531 9.593 ( 0.641 1.290 0.551) 1.542 10.034 ( -5.197 -2.554 -0.447) 5.807 12.750 ( -1.199 0.154 -2.714) 2.971 14.204 ( -6.239 -5.953 13.864) 16.328 15.236 ( 15.776 1.159 -8.079) 17.762 17.093 ( 2.769 0.550 1.573) 3.232 17.342 ( -0.132 -1.388 4.766) 4.966 18.074 ( 0.733 4.628 -1.740) 4.998 18.252 ( -6.910 -0.959 -7.297) 10.095 18.735 ( -2.429 -1.078 -4.042) 4.838 ======================= Grid point 177 (87/150) ======================= q-point: (-0.12 0.50 0.25) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( -1.279 -1.109 -7.297) 7.490 1.894 ( 9.735 8.313 -0.008) 12.801 2.207 ( 5.086 1.221 8.388) 9.885 2.264 ( 1.619 5.479 -0.960) 5.793 2.489 ( -10.995 -4.374 -3.465) 12.330 2.664 ( 11.371 2.495 5.814) 13.013 2.947 ( 0.208 2.254 0.640) 2.352 3.047 ( 1.137 5.426 1.553) 5.757 3.216 ( -2.014 -0.996 6.828) 7.188 3.386 ( 2.011 2.251 5.533) 6.302 3.444 ( -5.525 -4.367 -0.120) 7.043 3.605 ( -1.240 -3.646 -1.213) 4.038 3.735 ( 0.907 -4.805 4.475) 6.628 3.781 ( -2.479 -4.103 0.224) 4.799 4.121 ( -1.065 0.277 2.111) 2.381 4.187 ( 2.649 4.264 5.175) 7.210 4.303 ( 3.652 -1.311 4.380) 5.851 4.365 ( 1.757 1.998 -5.519) 6.127 4.692 ( 0.627 -3.028 -10.872) 11.303 4.806 ( 0.589 7.920 2.320) 8.274 4.986 ( 2.943 -4.034 -5.249) 7.245 5.126 ( -7.481 3.912 -4.047) 9.362 5.442 ( 0.637 -4.320 -4.063) 5.965 5.818 ( 3.109 -4.553 -2.948) 6.252 6.051 ( -1.543 0.378 -0.102) 1.592 6.897 ( -0.955 -0.541 4.687) 4.814 7.043 ( -2.584 1.444 6.054) 6.739 7.315 ( -5.237 2.170 -6.044) 8.286 7.367 ( -0.727 -2.819 -0.604) 2.973 7.644 ( -1.980 -5.545 -2.284) 6.316 8.332 ( 6.589 2.729 4.792) 8.592 9.222 ( -11.963 3.622 -16.285) 20.529 9.781 ( 9.413 2.977 5.025) 11.078 10.017 ( -1.325 -4.580 6.462) 8.030 12.714 ( -1.227 0.231 -2.910) 3.167 14.216 ( -5.434 -5.135 13.674) 15.584 15.432 ( 11.531 1.373 -13.251) 17.619 17.126 ( 0.417 0.593 3.109) 3.193 17.380 ( 0.648 -1.208 2.024) 2.445 17.978 ( -1.900 4.087 -3.985) 6.017 18.149 ( -4.105 -0.424 -4.410) 6.040 18.726 ( -0.456 -3.195 -0.751) 3.314 ======================= Grid point 183 (88/150) ======================= q-point: (-0.38 -0.38 0.25) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( 14.165 0.000 5.137) 15.068 1.955 ( 10.152 0.000 3.565) 10.760 2.096 ( 0.957 0.000 3.617) 3.741 2.416 ( -11.429 -0.000 -6.496) 13.146 2.475 ( 7.816 0.000 12.821) 15.015 2.767 ( -17.827 -0.000 2.103) 17.950 2.968 ( 2.381 0.000 0.574) 2.449 3.067 ( -1.582 -0.000 -1.459) 2.152 3.188 ( 12.472 0.000 9.204) 15.500 3.314 ( -4.463 -0.000 -0.541) 4.496 3.412 ( -2.313 -0.000 9.398) 9.679 3.519 ( 6.338 0.000 2.777) 6.919 3.685 ( -3.529 -0.000 3.658) 5.083 3.759 ( 1.291 0.000 -0.688) 1.463 3.992 ( -4.597 -0.000 1.332) 4.786 4.256 ( 8.304 0.000 3.090) 8.860 4.359 ( -7.971 -0.000 -1.150) 8.054 4.438 ( 4.868 0.000 -4.639) 6.724 4.638 ( -1.474 -0.000 -8.829) 8.951 4.810 ( 3.916 0.000 -5.051) 6.391 5.115 ( -3.670 -0.000 -8.050) 8.847 5.178 ( -1.448 -0.000 1.247) 1.911 5.364 ( -2.012 -0.000 -9.242) 9.458 5.662 ( 5.342 0.000 -5.433) 7.619 6.107 ( -4.339 -0.000 -1.669) 4.649 6.830 ( 1.950 0.000 3.898) 4.358 7.162 ( -3.198 -0.000 -1.308) 3.455 7.236 ( 4.106 0.000 -0.193) 4.110 7.454 ( -3.108 -0.000 8.122) 8.696 7.638 ( -12.251 -0.000 -6.657) 13.943 8.251 ( 11.625 0.000 5.332) 12.789 9.487 ( 4.525 0.000 -0.279) 4.534 9.612 ( 1.148 0.000 1.372) 1.789 9.999 ( -6.823 -0.000 -1.723) 7.038 12.752 ( -0.984 -0.000 -2.840) 3.006 14.134 ( -4.789 -0.000 12.456) 13.345 15.256 ( 15.946 0.000 -7.452) 17.602 17.100 ( 2.778 0.000 1.586) 3.199 17.322 ( -1.188 -0.000 5.619) 5.744 18.128 ( 2.459 0.000 0.605) 2.532 18.238 ( -8.314 -0.000 -9.507) 12.630 18.723 ( -3.352 -0.000 -4.299) 5.452 ======================= Grid point 184 (89/150) ======================= q-point: (-0.25 -0.38 0.25) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( -11.114 -1.078 -4.949) 12.214 2.132 ( 13.092 10.515 -2.307) 16.950 2.252 ( -3.960 2.324 3.051) 5.513 2.338 ( 15.180 -2.804 4.287) 16.021 2.388 ( -20.101 -1.628 -6.482) 21.183 2.694 ( 11.855 0.222 11.520) 16.532 2.987 ( -1.040 2.181 -0.619) 2.495 3.067 ( 0.849 -4.443 3.122) 5.496 3.224 ( -3.661 3.259 2.449) 5.480 3.319 ( -2.316 -3.810 3.393) 5.603 3.394 ( -8.047 -1.810 5.966) 10.179 3.609 ( 4.633 2.357 1.894) 5.532 3.660 ( 3.562 -1.972 1.514) 4.344 3.767 ( 0.335 1.552 1.078) 1.919 4.015 ( -1.822 -5.036 1.374) 5.529 4.239 ( -5.401 -0.975 5.777) 7.969 4.366 ( 6.309 4.523 -5.044) 9.258 4.456 ( 2.022 5.824 -2.452) 6.635 4.606 ( -1.139 -5.358 -6.819) 8.746 4.857 ( 4.199 -1.385 -3.333) 5.537 5.013 ( -0.353 4.308 -5.296) 6.836 5.186 ( -5.330 0.423 1.446) 5.539 5.318 ( 1.339 -4.050 -2.240) 4.818 5.749 ( 5.395 -1.503 -5.337) 7.737 6.051 ( -1.722 -0.202 0.299) 1.760 6.891 ( 2.086 0.014 5.110) 5.519 7.090 ( -2.921 2.007 2.952) 4.612 7.295 ( 1.185 -2.643 -2.982) 4.158 7.384 ( -4.906 3.634 -0.485) 6.125 7.500 ( -3.786 -5.951 -3.941) 8.080 8.403 ( 4.956 2.230 3.276) 6.346 9.301 ( -8.473 2.572 -14.830) 17.272 9.837 ( 2.609 2.190 3.964) 5.226 9.913 ( 3.298 -3.982 8.272) 9.754 12.719 ( -1.289 0.157 -3.251) 3.501 14.130 ( -2.397 -2.131 12.514) 12.918 15.482 ( 14.262 1.916 -12.779) 19.246 17.145 ( 1.268 0.790 3.512) 3.816 17.330 ( -0.931 -2.136 4.140) 4.751 18.040 ( -8.559 1.290 -6.598) 10.884 18.146 ( -0.702 0.121 -3.494) 3.566 18.676 ( -1.396 -1.162 -0.699) 1.946 ======================= Grid point 185 (90/150) ======================= q-point: (-0.12 -0.38 0.25) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( -13.170 -7.979 -2.982) 15.684 1.867 ( -23.625 -3.772 -13.273) 27.360 2.257 ( 0.684 -1.353 7.489) 7.641 2.293 ( 7.184 9.354 -4.523) 12.632 2.555 ( 6.557 4.403 3.248) 8.540 2.924 ( 4.252 -5.147 5.219) 8.474 2.989 ( 5.314 6.553 -1.748) 8.616 3.077 ( -10.771 0.693 4.871) 11.841 3.134 ( 0.807 -1.171 8.474) 8.592 3.195 ( -8.059 -5.001 -0.366) 9.492 3.451 ( 2.778 1.039 5.000) 5.814 3.655 ( 3.608 -0.622 1.012) 3.798 3.707 ( -1.882 -0.299 1.237) 2.272 3.771 ( 0.830 0.308 2.360) 2.521 4.035 ( -2.944 -7.212 3.254) 8.442 4.225 ( -2.636 -2.507 3.752) 5.226 4.320 ( 1.726 2.853 -4.859) 5.893 4.440 ( 1.893 5.606 -4.299) 7.314 4.656 ( 4.620 -3.468 -8.113) 9.960 4.891 ( -7.134 3.853 5.174) 9.618 5.013 ( 6.499 2.601 -3.121) 7.664 5.068 ( 1.029 -0.440 -3.571) 3.742 5.407 ( 2.137 -3.045 -1.325) 3.949 5.841 ( 4.310 -2.797 -4.779) 7.017 6.062 ( 2.497 -0.249 1.515) 2.931 6.897 ( -2.107 1.512 8.085) 8.491 7.088 ( 3.295 3.034 3.000) 5.391 7.265 ( -2.383 3.530 -4.917) 6.505 7.331 ( 1.464 -2.997 -0.974) 3.474 7.528 ( -1.872 -7.599 -1.624) 7.993 8.410 ( -1.851 1.151 -0.318) 2.203 9.056 ( -7.069 8.233 -13.170) 17.064 9.790 ( -4.287 -5.445 -1.388) 7.067 10.124 ( 8.557 1.035 10.761) 13.787 12.682 ( -1.264 -0.031 -3.766) 3.973 14.187 ( 0.580 -1.460 13.995) 14.083 15.578 ( 6.793 5.536 -16.373) 18.570 17.136 ( -2.113 1.844 4.167) 5.023 17.368 ( -0.385 -2.643 1.418) 3.024 17.902 ( -4.304 -3.657 -3.080) 6.433 18.094 ( -1.977 0.896 -5.774) 6.169 18.691 ( 0.261 -2.489 1.428) 2.881 ======================= Grid point 192 (91/150) ======================= q-point: (-0.25 -0.25 0.25) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( -18.316 -0.000 -3.230) 18.599 1.820 ( -28.766 -0.000 -13.819) 31.913 2.224 ( -3.139 -0.000 6.176) 6.928 2.517 ( 8.950 0.000 6.021) 10.787 2.545 ( 13.668 0.000 -10.418) 17.186 2.857 ( -3.965 -0.000 7.531) 8.511 2.980 ( -8.649 -0.000 8.639) 12.224 3.102 ( 14.632 0.000 0.960) 14.664 3.106 ( -12.137 -0.000 0.401) 12.144 3.207 ( -2.707 -0.000 4.858) 5.561 3.421 ( 5.586 0.000 8.441) 10.121 3.662 ( -1.646 -0.000 1.681) 2.353 3.709 ( 0.794 0.000 -5.112) 5.174 3.824 ( 4.133 0.000 2.956) 5.081 3.915 ( -5.318 -0.000 1.321) 5.479 4.149 ( -6.709 -0.000 9.607) 11.717 4.421 ( -1.356 -0.000 -11.549) 11.628 4.493 ( 6.997 0.000 -9.614) 11.890 4.611 ( 5.460 0.000 1.554) 5.677 4.905 ( 0.238 0.000 0.866) 0.898 5.060 ( -6.829 -0.000 -0.974) 6.898 5.069 ( 5.424 0.000 -2.415) 5.938 5.364 ( 4.419 0.000 0.535) 4.451 5.804 ( 4.337 0.000 -6.000) 7.403 6.055 ( 1.697 0.000 1.412) 2.207 6.916 ( -2.334 -0.000 8.954) 9.253 7.160 ( 8.880 0.000 2.964) 9.361 7.267 ( -0.813 -0.000 -4.208) 4.286 7.360 ( -6.165 -0.000 9.095) 10.988 7.373 ( 0.659 0.000 -13.795) 13.811 8.429 ( -3.290 -0.000 -1.350) 3.557 9.178 ( -2.722 -0.000 -11.579) 11.895 9.702 ( -8.104 -0.000 -1.589) 8.259 10.139 ( 9.750 0.000 10.963) 14.671 12.682 ( -1.468 -0.000 -4.157) 4.408 14.169 ( 2.404 0.000 14.251) 14.452 15.658 ( 10.213 0.000 -17.811) 20.531 17.181 ( -0.060 -0.000 5.061) 5.062 17.300 ( -1.841 -0.000 2.890) 3.427 17.857 ( -9.309 -0.000 -4.603) 10.385 18.105 ( -2.597 -0.000 -6.206) 6.728 18.664 ( 0.346 0.000 2.201) 2.228 ======================= Grid point 193 (92/150) ======================= q-point: (-0.12 -0.25 0.25) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( -15.621 -9.990 2.080) 18.659 1.296 ( -27.121 -5.773 -10.678) 29.713 2.196 ( -3.900 -2.134 4.088) 6.039 2.503 ( 0.374 10.896 -7.104) 13.013 2.654 ( -3.870 2.194 6.120) 7.566 2.746 ( -11.841 -0.691 2.618) 12.147 2.843 ( -9.903 -8.800 6.095) 14.583 2.989 ( -4.327 -2.528 1.744) 5.307 3.156 ( -2.956 1.391 1.289) 3.513 3.350 ( 12.112 4.667 5.574) 14.126 3.451 ( -9.068 0.999 4.034) 9.975 3.626 ( -2.016 -3.781 4.174) 5.982 3.674 ( -2.699 -0.016 0.616) 2.768 3.862 ( 4.532 5.226 1.957) 7.189 3.992 ( 6.670 -7.067 1.887) 9.899 4.112 ( -3.013 -5.109 6.563) 8.847 4.440 ( 10.519 3.085 -11.537) 15.915 4.533 ( 3.806 4.451 -3.810) 6.987 4.702 ( -13.404 3.447 1.145) 13.887 4.758 ( 6.341 -0.250 -2.282) 6.744 5.103 ( 7.580 -0.982 -4.745) 8.996 5.180 ( 7.555 0.208 -0.476) 7.573 5.396 ( -0.925 -1.128 -5.802) 5.983 5.873 ( 4.990 -1.673 -4.091) 6.665 6.112 ( 3.249 -1.734 0.118) 3.684 6.944 ( 2.237 0.509 12.406) 12.616 7.169 ( -3.035 6.627 -1.882) 7.528 7.255 ( -2.013 2.205 0.660) 3.058 7.398 ( -1.388 -7.274 -4.336) 8.581 7.413 ( 11.570 -2.506 3.836) 12.444 8.329 ( -5.111 0.406 -3.384) 6.143 9.041 ( -3.744 10.253 -8.746) 13.987 9.621 ( -4.667 -7.971 -2.128) 9.479 10.290 ( 4.184 1.219 7.406) 8.593 12.644 ( -0.832 -0.281 -4.335) 4.423 14.307 ( 6.439 0.890 17.994) 19.132 15.663 ( 2.046 7.594 -20.742) 22.183 17.138 ( -3.547 4.878 4.592) 7.581 17.317 ( -1.509 -4.080 0.671) 4.402 17.748 ( -4.013 -9.314 -2.079) 10.353 18.024 ( -3.546 -0.163 -5.821) 6.818 18.691 ( 0.730 -0.827 2.622) 2.844 ======================= Grid point 201 (93/150) ======================= q-point: (-0.12 -0.12 0.25) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.725 ( -12.795 -0.000 10.470) 16.533 0.848 ( -14.479 -0.000 7.331) 16.229 2.124 ( -4.169 -0.000 1.773) 4.531 2.352 ( -29.179 -0.000 20.298) 35.545 2.503 ( -7.329 -0.000 -7.918) 10.789 2.518 ( -10.580 -0.000 -1.079) 10.635 2.789 ( 3.362 0.000 5.044) 6.062 2.971 ( 1.208 0.000 3.462) 3.667 3.059 ( -8.019 -0.000 -4.173) 9.040 3.270 ( -8.436 -0.000 -0.398) 8.446 3.583 ( -2.799 -0.000 6.384) 6.970 3.589 ( 8.387 0.000 4.930) 9.729 3.610 ( -4.512 -0.000 1.594) 4.785 3.930 ( -5.695 -0.000 7.763) 9.628 4.040 ( 8.344 0.000 -0.004) 8.344 4.143 ( 1.287 0.000 -0.652) 1.443 4.436 ( -12.446 -0.000 -3.812) 13.017 4.616 ( 3.099 0.000 -0.410) 3.125 4.688 ( 17.988 0.000 -10.091) 20.625 4.911 ( 8.210 0.000 -4.239) 9.240 5.228 ( 4.935 0.000 -2.038) 5.339 5.301 ( 6.707 0.000 -1.555) 6.885 5.323 ( 2.312 0.000 -10.891) 11.133 5.959 ( 6.974 0.000 -1.727) 7.185 6.137 ( 1.849 0.000 -2.490) 3.101 7.055 ( 3.015 0.000 10.588) 11.009 7.099 ( -9.646 -0.000 4.213) 10.526 7.257 ( 0.396 0.000 3.771) 3.792 7.295 ( -1.848 -0.000 -11.225) 11.376 7.640 ( 11.729 0.000 3.817) 12.334 8.305 ( 3.880 0.000 4.445) 5.901 9.017 ( -4.333 -0.000 -7.081) 8.301 9.473 ( -3.940 -0.000 -2.526) 4.680 10.336 ( -2.283 -0.000 3.642) 4.299 12.635 ( 2.386 0.000 -2.885) 3.744 14.538 ( 9.616 0.000 20.639) 22.769 15.641 ( -1.455 -0.000 -22.517) 22.563 17.128 ( -6.002 -0.000 2.019) 6.332 17.254 ( -1.031 -0.000 0.455) 1.127 17.567 ( -5.850 -0.000 -1.036) 5.941 17.969 ( 0.108 0.000 0.509) 0.521 18.704 ( -0.118 -0.000 1.899) 1.902 ======================= Grid point 202 (94/150) ======================= q-point: ( 0.00 0.00 0.38) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( 11.384 0.000 20.910) 23.808 1.634 ( -12.564 -0.000 20.357) 23.922 1.951 ( -2.265 -0.000 -1.943) 2.984 2.167 ( 9.389 0.000 12.003) 15.239 2.200 ( -4.557 -0.000 -9.196) 10.263 2.307 ( -5.856 -0.000 -11.457) 12.867 2.599 ( 7.165 0.000 16.863) 18.322 3.062 ( 1.241 0.000 -0.835) 1.496 3.065 ( 1.419 0.000 6.328) 6.485 3.111 ( -7.635 -0.000 1.951) 7.880 3.495 ( -4.812 -0.000 3.262) 5.813 3.541 ( 5.319 0.000 -2.633) 5.935 3.691 ( -3.024 -0.000 -4.748) 5.629 3.819 ( -1.159 -0.000 2.098) 2.397 4.149 ( 3.942 0.000 -1.533) 4.230 4.251 ( -1.033 -0.000 3.492) 3.641 4.510 ( 8.200 0.000 7.776) 11.300 4.620 ( -0.412 -0.000 -3.195) 3.221 4.661 ( -13.909 -0.000 -10.347) 17.335 4.844 ( -3.242 -0.000 -6.910) 7.633 4.905 ( 11.488 0.000 -8.777) 14.457 5.288 ( -2.438 -0.000 -12.275) 12.515 5.393 ( 0.079 0.000 -0.353) 0.362 5.931 ( -2.188 -0.000 -4.022) 4.579 6.281 ( 2.428 0.000 0.082) 2.429 6.927 ( -1.326 -0.000 3.104) 3.375 6.928 ( -1.231 -0.000 2.776) 3.037 7.353 ( 5.673 0.000 -0.745) 5.721 7.518 ( 2.209 0.000 5.331) 5.771 8.137 ( 8.371 0.000 6.365) 10.516 8.254 ( -15.770 -0.000 1.717) 15.863 9.303 ( 0.099 0.000 -3.276) 3.277 9.467 ( 14.815 0.000 1.878) 14.933 10.009 ( -8.804 -0.000 -3.154) 9.351 12.800 ( 2.181 0.000 -1.061) 2.425 14.678 ( -1.310 -0.000 0.247) 1.333 15.699 ( 0.267 0.000 0.836) 0.878 16.925 ( 1.093 0.000 -0.235) 1.118 17.273 ( 0.522 0.000 0.539) 0.751 17.421 ( -0.302 -0.000 -0.716) 0.777 18.398 ( 7.830 0.000 1.255) 7.930 18.601 ( -2.038 -0.000 -1.505) 2.533 ======================= Grid point 203 (95/150) ======================= q-point: ( 0.12 0.00 0.38) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( -10.866 3.504 16.568) 20.121 1.619 ( 12.050 -5.103 15.201) 20.058 1.926 ( -0.811 -0.322 -1.879) 2.072 2.066 ( -1.045 0.002 -7.576) 7.648 2.328 ( 6.034 -2.220 -2.731) 6.986 2.438 ( 7.448 -7.120 -1.939) 10.484 2.876 ( 10.093 -2.928 13.074) 16.774 2.939 ( -2.586 1.995 10.755) 11.240 3.109 ( -1.105 -4.227 3.946) 5.887 3.215 ( 7.782 4.506 0.581) 9.011 3.514 ( 1.791 -9.767 5.429) 11.317 3.574 ( -0.703 -2.253 -1.312) 2.700 3.674 ( 2.689 -2.808 -11.643) 12.275 3.778 ( -2.509 2.189 1.345) 3.591 4.129 ( -4.498 2.991 -0.509) 5.425 4.308 ( 7.323 3.203 1.538) 8.140 4.434 ( -5.027 3.691 1.885) 6.515 4.527 ( -6.169 2.180 -1.564) 6.728 4.618 ( -0.397 -1.072 2.057) 2.353 4.810 ( 2.967 1.319 -6.422) 7.196 4.998 ( -0.504 2.949 -9.352) 9.819 5.169 ( 1.626 1.617 -8.355) 8.664 5.351 ( -5.288 -1.457 -0.620) 5.520 5.925 ( -1.566 -5.210 -1.939) 5.776 6.203 ( -5.494 4.992 -1.877) 7.656 6.908 ( 2.397 3.594 0.381) 4.337 7.034 ( 4.407 -4.350 3.483) 7.104 7.442 ( 1.737 -4.534 -4.296) 6.483 7.540 ( -0.799 0.963 2.531) 2.824 7.937 ( -17.434 3.066 3.323) 18.011 8.292 ( 7.548 3.654 8.959) 12.272 9.313 ( 3.390 2.104 -2.944) 4.959 9.498 ( -7.889 -1.161 -9.085) 12.088 10.028 ( 6.939 -2.617 4.052) 8.451 12.777 ( -2.768 0.709 -1.782) 3.367 14.737 ( 4.790 -1.237 3.354) 5.977 15.497 ( -11.335 11.849 -1.587) 16.474 17.010 ( 7.153 0.686 -0.408) 7.197 17.284 ( -0.810 -3.000 -0.053) 3.108 17.506 ( 4.217 -7.092 -1.092) 8.323 18.359 ( -6.899 0.787 -3.702) 7.869 18.690 ( 7.943 0.099 -1.331) 8.054 ======================= Grid point 204 (96/150) ======================= q-point: ( 0.25 0.00 0.38) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( 5.280 2.500 3.195) 6.659 1.852 ( -0.528 -6.845 -4.261) 8.080 1.962 ( 7.505 -1.645 6.971) 10.375 2.172 ( 12.274 1.485 7.917) 14.680 2.417 ( -1.149 -2.334 -9.227) 9.587 2.606 ( 5.085 -8.961 0.766) 10.332 2.902 ( -4.349 4.111 4.200) 7.311 2.976 ( 1.821 -1.016 1.856) 2.791 3.168 ( -0.789 -6.681 0.530) 6.749 3.313 ( 3.925 0.419 11.938) 12.574 3.594 ( 3.219 -2.637 -4.234) 5.937 3.677 ( -3.471 2.268 2.493) 4.838 3.814 ( 11.093 -4.333 5.739) 13.219 3.871 ( 9.789 -14.898 -0.765) 17.843 3.970 ( -5.173 5.841 -2.899) 8.324 4.249 ( -5.107 6.378 2.112) 8.439 4.344 ( -3.954 6.181 -0.162) 7.339 4.495 ( 3.845 3.238 2.729) 5.720 4.621 ( -2.581 -2.215 -4.337) 5.512 4.719 ( -1.933 6.883 -0.646) 7.178 4.917 ( -0.020 -0.419 -5.664) 5.679 5.162 ( -3.025 2.512 -3.919) 5.552 5.315 ( 1.773 -3.232 -4.840) 6.084 5.951 ( -1.449 -2.409 0.943) 2.965 6.049 ( -4.067 2.569 -2.276) 5.321 6.909 ( 2.100 2.553 -2.719) 4.280 7.140 ( 2.030 -0.562 4.145) 4.650 7.421 ( -9.717 -3.094 -4.413) 11.111 7.508 ( -2.881 -0.096 1.587) 3.291 7.662 ( -7.837 1.796 0.913) 8.092 8.406 ( 7.782 5.941 9.453) 13.610 9.146 ( -13.104 2.157 -15.736) 20.591 9.520 ( 6.265 -6.066 0.435) 8.732 10.177 ( 5.155 0.447 5.588) 7.616 12.712 ( -2.572 0.337 -1.993) 3.271 14.790 ( -5.932 2.254 11.873) 13.462 15.198 ( -1.006 9.111 -11.131) 14.419 17.113 ( 5.522 1.436 0.430) 5.722 17.314 ( -0.408 -4.170 -0.557) 4.227 17.677 ( 5.571 -7.526 -0.788) 9.397 18.207 ( -7.095 0.589 -4.544) 8.446 18.778 ( 4.135 1.993 -1.752) 4.913 ======================= Grid point 205 (97/150) ======================= q-point: ( 0.38 0.00 0.38) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( 12.192 -0.803 -5.230) 13.291 1.852 ( -0.892 1.995 -2.264) 3.146 2.120 ( 0.256 -4.307 0.221) 4.321 2.254 ( -8.146 -3.484 -13.536) 16.178 2.456 ( 15.487 3.422 12.154) 19.982 2.741 ( 0.771 -0.711 4.313) 4.439 2.912 ( 5.328 -6.645 5.235) 9.998 3.068 ( 4.971 0.397 4.843) 6.952 3.217 ( -3.096 -8.317 -2.126) 9.126 3.397 ( -2.126 -4.010 13.601) 14.338 3.540 ( -6.356 6.606 -5.886) 10.894 3.736 ( 9.367 -0.542 -2.737) 9.774 3.743 ( -4.142 3.643 4.117) 6.883 3.953 ( -5.167 -2.089 -1.879) 5.881 4.115 ( -9.556 6.913 -0.721) 11.816 4.172 ( -2.098 -4.834 -0.969) 5.358 4.275 ( 13.291 -2.984 1.813) 13.742 4.482 ( 2.049 6.835 -2.361) 7.516 4.535 ( 2.544 2.952 -1.369) 4.131 4.789 ( 4.041 -2.335 7.929) 9.201 4.886 ( -3.311 -4.014 -8.032) 9.570 5.053 ( -2.303 4.062 -0.961) 4.768 5.370 ( 2.192 -1.316 -4.781) 5.422 5.900 ( -0.938 3.700 -0.805) 3.901 6.035 ( -0.288 -3.006 1.897) 3.566 6.903 ( 0.973 1.179 -3.560) 3.874 7.151 ( -1.755 0.705 3.778) 4.225 7.211 ( -9.983 0.599 -1.906) 10.181 7.461 ( -1.382 2.016 3.676) 4.414 7.622 ( -1.287 -3.939 -1.733) 4.492 8.489 ( 5.531 7.204 6.131) 10.958 8.823 ( -14.396 -1.766 -17.232) 22.523 9.722 ( 7.141 -5.871 0.553) 9.261 10.238 ( 1.877 2.665 6.181) 6.988 12.671 ( -1.186 0.102 -1.761) 2.126 14.586 ( -10.975 6.051 9.655) 15.820 15.188 ( 6.181 0.941 -10.587) 12.296 17.169 ( 1.894 0.759 1.311) 2.426 17.351 ( -0.179 -3.183 -0.463) 3.222 17.841 ( 5.156 -4.612 -0.807) 6.965 18.076 ( -5.095 0.444 -3.952) 6.464 18.791 ( 1.576 2.979 -1.010) 3.519 ======================= Grid point 206 (98/150) ======================= q-point: (-0.50 0.00 0.38) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 2.662 8.069 -0.324) 8.503 1.695 ( -9.864 4.544 -9.812) 14.636 2.066 ( 0.845 -2.370 -1.438) 2.898 2.257 ( -1.508 -5.295 -4.845) 7.334 2.671 ( 8.409 4.644 10.279) 14.069 2.816 ( 2.145 -4.751 -0.448) 5.233 3.065 ( -2.038 -2.303 -0.641) 3.141 3.122 ( 0.302 -1.303 9.208) 9.304 3.255 ( -1.050 -4.141 1.293) 4.464 3.303 ( -6.352 3.163 1.235) 7.203 3.477 ( 2.291 -1.720 10.904) 11.274 3.716 ( -1.218 -0.798 2.252) 2.682 3.783 ( -7.141 2.903 -3.164) 8.333 3.874 ( 4.022 5.139 -0.222) 6.530 3.990 ( 4.315 -4.296 -5.672) 8.322 4.154 ( -1.626 -3.332 -7.620) 8.474 4.382 ( -0.956 5.382 3.238) 6.354 4.466 ( 1.441 6.915 2.598) 7.526 4.558 ( 3.426 0.544 -1.792) 3.905 4.826 ( -10.138 -7.882 -1.052) 12.884 4.951 ( 7.955 -3.539 1.685) 8.868 5.000 ( 2.231 3.658 -3.245) 5.375 5.378 ( -0.700 -0.474 -3.151) 3.263 5.867 ( 1.332 2.261 -1.025) 2.817 6.084 ( 2.437 -1.208 1.754) 3.236 6.899 ( 0.563 -1.108 -3.513) 3.726 7.091 ( -2.431 -0.831 -0.577) 2.633 7.142 ( -0.076 0.195 1.697) 1.710 7.456 ( 2.424 2.515 3.174) 4.720 7.652 ( -0.480 -2.032 5.053) 5.467 8.384 ( -6.962 5.910 -8.292) 12.335 8.678 ( -2.703 -5.662 -4.219) 7.561 9.843 ( 1.636 0.252 -0.831) 1.852 10.268 ( 2.083 0.213 5.202) 5.607 12.646 ( -0.893 0.488 -1.086) 1.488 14.450 ( -2.457 1.472 8.158) 8.646 15.230 ( 1.695 -1.714 -9.351) 9.657 17.174 ( -1.435 -0.066 2.119) 2.560 17.365 ( -1.509 -1.723 -0.111) 2.293 17.939 ( 4.291 1.310 -2.274) 5.030 17.995 ( -2.321 0.107 -2.417) 3.353 18.773 ( 0.465 2.620 0.003) 2.661 ======================= Grid point 207 (99/150) ======================= q-point: (-0.38 0.00 0.38) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( -12.344 10.451 -1.384) 16.233 1.502 ( -0.559 15.956 7.362) 17.582 2.149 ( 0.456 -4.855 -3.652) 6.092 2.239 ( -1.466 -2.270 -4.131) 4.936 2.742 ( -10.169 -4.209 -0.969) 11.048 2.784 ( 1.183 3.085 5.471) 6.392 2.967 ( -5.922 -0.535 -0.153) 5.948 3.094 ( -6.916 1.753 5.290) 8.882 3.236 ( -4.937 7.637 2.103) 9.334 3.308 ( 6.041 -2.705 0.693) 6.655 3.499 ( -7.953 -2.424 5.232) 9.823 3.722 ( 3.819 -2.890 4.283) 6.425 3.794 ( 3.414 -2.645 3.077) 5.303 3.905 ( 2.295 1.671 5.242) 5.961 4.114 ( 6.710 0.289 -9.397) 11.550 4.191 ( 6.550 0.634 -5.145) 8.353 4.286 ( 0.079 2.599 -0.433) 2.636 4.352 ( -4.337 7.116 -0.968) 8.390 4.605 ( -6.502 -6.063 2.440) 9.219 4.717 ( -4.848 -4.952 1.222) 7.037 5.025 ( 5.539 1.519 -4.889) 7.543 5.119 ( 6.818 -2.817 -3.612) 8.214 5.322 ( -4.290 0.670 -3.522) 5.591 5.885 ( 3.420 1.086 -0.787) 3.674 6.144 ( 3.724 1.743 -1.217) 4.288 6.920 ( -0.568 -4.387 -4.367) 6.216 7.122 ( 4.697 0.083 2.566) 5.353 7.173 ( 1.446 -1.937 1.517) 2.854 7.515 ( 5.405 0.362 0.830) 5.481 7.627 ( -4.718 5.099 4.457) 8.254 8.268 ( 1.961 -1.709 1.966) 3.261 8.695 ( -3.319 -6.941 -2.951) 8.240 9.772 ( -2.874 7.407 -2.079) 8.213 10.333 ( 0.829 -2.724 2.090) 3.532 12.622 ( -0.313 0.927 -0.133) 0.987 14.541 ( 6.662 -4.412 10.626) 13.295 15.208 ( -3.493 -3.667 -9.998) 11.208 17.139 ( -4.281 -1.200 2.599) 5.150 17.337 ( -2.572 -0.069 0.076) 2.574 17.930 ( 0.905 7.148 -5.708) 9.192 17.978 ( 2.546 1.831 0.933) 3.272 18.754 ( -0.381 1.192 0.894) 1.538 ======================= Grid point 208 (100/150) ======================= q-point: (-0.25 0.00 0.38) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( -6.338 9.233 8.023) 13.777 1.411 ( 6.780 17.307 18.978) 26.564 2.104 ( -5.829 -1.788 -2.897) 6.750 2.279 ( 3.018 -1.778 -4.500) 5.702 2.516 ( -13.414 -1.153 0.158) 13.464 2.771 ( -10.346 -0.556 4.390) 11.253 2.846 ( -14.907 5.252 -6.220) 16.985 2.923 ( 2.294 2.883 7.969) 8.779 3.112 ( -5.598 2.128 8.512) 10.407 3.273 ( -2.833 1.896 -4.849) 5.928 3.584 ( 6.587 -6.047 6.038) 10.790 3.736 ( -3.523 1.697 -2.119) 4.447 3.790 ( -8.076 6.295 9.008) 13.638 3.972 ( -0.589 -2.943 4.603) 5.495 4.085 ( 4.037 3.385 -4.382) 6.853 4.165 ( -2.560 6.169 -4.516) 8.063 4.381 ( 3.204 -2.594 -0.107) 4.124 4.421 ( 2.213 -6.663 -4.336) 8.252 4.479 ( 4.206 -4.359 -1.926) 6.356 4.832 ( 5.057 -4.637 0.321) 6.868 5.093 ( 1.005 -1.826 -8.271) 8.530 5.185 ( -0.066 -0.585 -6.221) 6.249 5.258 ( 3.940 0.112 -2.660) 4.755 5.968 ( 6.572 -1.028 0.168) 6.654 6.139 ( 1.841 6.277 -4.751) 8.085 6.937 ( -2.921 -6.524 -3.269) 7.860 7.204 ( -0.820 0.671 1.900) 2.175 7.228 ( 4.602 1.482 1.701) 5.126 7.442 ( -5.824 5.874 3.739) 9.077 7.670 ( 10.041 -3.167 1.421) 10.624 8.479 ( 11.742 0.108 13.469) 17.869 8.699 ( -4.650 -13.111 -2.813) 14.193 9.601 ( -2.901 10.592 -3.793) 11.618 10.336 ( -4.191 -1.762 -1.059) 4.668 12.632 ( 2.686 0.484 0.954) 2.891 14.798 ( 6.275 -4.804 11.901) 14.286 15.163 ( -0.683 -8.989 -8.877) 12.652 17.074 ( -6.594 -2.584 2.145) 7.400 17.290 ( -1.600 1.389 0.331) 2.145 17.775 ( -2.631 13.053 -6.381) 14.766 18.045 ( 6.914 2.277 3.422) 8.044 18.734 ( -1.889 -0.005 0.833) 2.064 ======================= Grid point 209 (101/150) ======================= q-point: (-0.12 0.00 0.38) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( 5.134 1.615 18.800) 19.555 1.517 ( 14.064 9.803 21.523) 27.516 2.010 ( -5.316 -1.534 -2.330) 6.003 2.245 ( -9.630 -0.221 3.581) 10.276 2.348 ( -8.571 4.645 -2.283) 10.012 2.495 ( -9.580 0.214 8.377) 12.727 2.582 ( -9.896 2.906 -5.510) 11.693 2.980 ( 0.251 -1.366 5.259) 5.439 3.032 ( 1.285 1.902 1.319) 2.647 3.288 ( 1.397 2.413 2.824) 3.968 3.528 ( -10.170 0.987 -3.447) 10.784 3.617 ( -5.220 5.887 1.416) 7.994 3.767 ( 0.469 -4.273 4.640) 6.325 3.834 ( -6.980 2.409 1.084) 7.463 4.094 ( 4.225 1.695 -9.322) 10.374 4.248 ( 0.069 -5.089 6.627) 8.356 4.327 ( 3.684 0.921 8.145) 8.987 4.571 ( 4.087 -5.120 -5.209) 8.370 4.711 ( 14.080 -0.071 -8.872) 16.642 4.908 ( -0.903 -1.568 -2.236) 2.877 4.942 ( -12.045 -0.874 -9.879) 15.602 5.265 ( 5.374 -4.518 -11.243) 13.256 5.347 ( 5.312 -0.192 -1.652) 5.566 6.036 ( -1.063 7.968 -5.520) 9.752 6.139 ( 8.374 -3.739 0.410) 9.181 6.931 ( -5.030 -5.792 -0.015) 7.672 7.065 ( -7.920 4.980 1.414) 9.462 7.276 ( 5.200 4.340 2.185) 7.117 7.438 ( 3.080 -0.441 6.887) 7.557 7.918 ( 11.437 -3.311 3.906) 12.531 8.482 ( -10.163 -0.775 0.978) 10.239 9.017 ( 15.782 -13.428 8.252) 22.305 9.433 ( 0.403 11.668 -3.870) 12.300 10.211 ( -9.607 0.438 -3.511) 10.238 12.716 ( 5.826 -0.491 0.665) 5.884 14.779 ( -7.814 0.646 0.264) 7.845 15.458 ( 13.551 -13.575 2.407) 19.331 16.983 ( -6.807 -1.592 0.677) 7.023 17.264 ( 0.415 1.338 0.674) 1.554 17.542 ( -3.842 11.953 -3.157) 12.946 18.198 ( 10.940 1.074 4.451) 11.859 18.682 ( -4.269 -0.028 -0.444) 4.292 ======================= Grid point 211 (102/150) ======================= q-point: ( 0.12 0.12 0.38) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( 5.061 0.000 12.416) 13.408 1.701 ( 2.391 0.000 -11.751) 11.992 1.970 ( 4.919 0.000 4.432) 6.621 2.196 ( 13.978 0.000 9.924) 17.143 2.424 ( -2.183 -0.000 -9.736) 9.978 2.464 ( 10.125 0.000 -0.670) 10.148 2.960 ( 3.016 0.000 3.453) 4.585 3.012 ( -5.755 -0.000 2.330) 6.208 3.021 ( -0.414 -0.000 6.009) 6.023 3.408 ( -5.158 -0.000 10.468) 11.670 3.546 ( 4.670 0.000 3.493) 5.832 3.561 ( 15.262 0.000 -7.486) 16.999 3.755 ( -1.918 -0.000 0.845) 2.096 3.768 ( 12.337 0.000 2.192) 12.530 4.041 ( -4.412 -0.000 -2.200) 4.930 4.342 ( -12.005 -0.000 -3.987) 12.650 4.434 ( 0.762 0.000 7.695) 7.733 4.520 ( 9.120 0.000 3.467) 9.756 4.569 ( -4.719 -0.000 -3.494) 5.872 4.860 ( -10.640 -0.000 -7.686) 13.126 4.872 ( 2.098 0.000 -1.167) 2.401 5.224 ( -6.512 -0.000 -0.659) 6.545 5.237 ( 7.152 0.000 -6.669) 9.779 5.894 ( 0.779 0.000 0.962) 1.238 6.097 ( -6.893 -0.000 -3.771) 7.857 6.951 ( 0.508 0.000 -1.050) 1.166 7.134 ( 5.941 0.000 3.563) 6.927 7.359 ( -6.561 -0.000 -5.129) 8.328 7.511 ( -3.122 -0.000 0.122) 3.124 7.689 ( -12.655 -0.000 3.021) 13.010 8.481 ( 7.310 0.000 9.328) 11.851 9.204 ( -15.575 -0.000 -14.179) 21.062 9.421 ( 7.527 0.000 -1.990) 7.785 10.179 ( 6.915 0.000 6.255) 9.325 12.716 ( -2.989 -0.000 -1.938) 3.562 14.808 ( -1.872 -0.000 10.881) 11.041 15.326 ( -8.649 -0.000 -11.899) 14.710 17.146 ( 6.451 0.000 0.508) 6.471 17.246 ( -0.781 -0.000 0.537) 0.948 17.581 ( 8.130 0.000 -1.236) 8.224 18.212 ( -7.466 -0.000 -4.795) 8.873 18.803 ( 4.904 0.000 -2.056) 5.318 ======================= Grid point 212 (103/150) ======================= q-point: ( 0.25 0.12 0.38) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( 11.970 5.921 -5.495) 14.441 1.773 ( 4.650 -8.180 -9.153) 13.127 2.088 ( 6.522 1.167 4.961) 8.277 2.257 ( -8.778 1.935 -11.745) 14.790 2.513 ( 16.194 0.988 12.015) 20.189 2.661 ( 6.677 -3.542 3.637) 8.388 2.890 ( -2.930 2.591 2.193) 4.484 3.019 ( 1.592 -4.336 -0.178) 4.623 3.104 ( 4.701 -1.327 4.906) 6.923 3.341 ( -6.126 -0.613 14.547) 15.796 3.654 ( 0.226 -1.381 3.505) 3.774 3.683 ( 1.121 1.812 -2.618) 3.375 3.804 ( -5.486 1.546 -4.963) 7.558 3.826 ( 7.002 -5.554 -7.030) 11.371 4.112 ( -6.924 0.163 -1.306) 7.048 4.193 ( 10.202 -1.514 7.757) 12.905 4.359 ( -5.646 8.910 -1.818) 10.703 4.538 ( 0.862 -3.722 5.904) 7.032 4.571 ( -2.625 1.225 -9.992) 10.403 4.757 ( 3.868 -0.778 3.309) 5.149 4.853 ( -3.357 0.690 -1.828) 3.885 5.124 ( -2.758 1.861 -2.099) 3.934 5.336 ( 4.017 -0.990 -2.782) 4.985 5.918 ( -1.821 -1.232 1.928) 2.925 5.997 ( -0.460 -0.152 -3.586) 3.618 6.937 ( -0.827 1.209 -0.186) 1.477 7.171 ( -4.355 1.731 0.453) 4.709 7.218 ( -5.076 -1.105 -0.710) 5.243 7.470 ( -1.332 -0.625 2.381) 2.799 7.548 ( -4.819 -1.483 -1.437) 5.243 8.606 ( 4.710 1.941 5.599) 7.570 8.859 ( -14.515 3.624 -13.528) 20.170 9.592 ( 9.097 -4.370 -1.388) 10.187 10.278 ( 2.108 0.884 6.100) 6.514 12.673 ( -1.050 0.074 -1.878) 2.153 14.686 ( -13.523 2.384 11.826) 18.122 15.225 ( 2.923 1.456 -13.589) 13.976 17.205 ( 1.785 2.346 1.762) 3.434 17.274 ( 0.604 -3.311 1.094) 3.539 17.748 ( 9.162 -2.753 -2.396) 9.862 18.080 ( -5.364 0.028 -4.293) 6.870 18.845 ( 1.999 1.435 -2.184) 3.290 ======================= Grid point 213 (104/150) ======================= q-point: ( 0.38 0.12 0.38) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( 8.959 1.730 -10.632) 14.010 1.817 ( -1.499 1.216 -12.335) 12.485 2.093 ( -0.597 3.884 1.235) 4.119 2.197 ( 4.067 1.038 3.547) 5.496 2.685 ( -5.902 -4.625 -0.768) 7.538 2.811 ( 13.370 4.523 10.861) 17.809 2.943 ( 2.326 -4.343 8.544) 9.863 3.096 ( 2.119 -1.976 0.941) 3.046 3.251 ( 6.790 1.514 3.453) 7.766 3.325 ( -6.111 -2.551 11.848) 13.573 3.450 ( -3.033 3.011 -2.975) 5.207 3.661 ( -9.561 -4.928 -4.119) 11.518 3.795 ( -0.818 -1.806 0.299) 2.004 3.966 ( 9.023 1.954 -2.693) 9.617 4.007 ( -4.309 2.277 -5.307) 7.205 4.064 ( -7.565 0.816 1.648) 7.785 4.423 ( 2.853 -2.712 -0.804) 4.018 4.517 ( -1.550 -2.751 -5.567) 6.400 4.619 ( 2.372 3.104 3.386) 5.170 4.756 ( -2.537 2.248 -3.455) 4.840 4.887 ( 5.867 -1.361 6.809) 9.090 5.062 ( -0.546 1.787 -4.155) 4.556 5.363 ( -0.384 -0.267 -1.619) 1.685 5.876 ( -2.559 -1.263 -1.612) 3.277 6.050 ( 4.118 -1.298 0.384) 4.334 6.904 ( -0.877 1.108 -0.483) 1.493 7.083 ( -1.786 0.199 -0.251) 1.815 7.159 ( -2.375 0.613 0.685) 2.547 7.482 ( -0.085 -0.053 1.182) 1.187 7.540 ( -0.518 -5.468 3.339) 6.428 8.503 ( -13.017 1.072 -14.623) 19.607 8.678 ( 3.233 6.522 5.745) 9.273 9.789 ( 7.377 -3.964 -1.320) 8.478 10.289 ( -1.143 1.177 4.632) 4.914 12.656 ( -0.196 0.377 -1.354) 1.419 14.487 ( -8.524 1.604 7.681) 11.586 15.217 ( 0.777 0.182 -9.072) 9.107 17.195 ( -1.228 1.727 2.354) 3.167 17.314 ( -0.557 -2.534 1.789) 3.151 17.923 ( 8.750 -1.817 -3.846) 9.730 17.998 ( -2.534 -0.055 -2.485) 3.550 18.837 ( 0.732 2.515 -2.147) 3.387 ======================= Grid point 214 (105/150) ======================= q-point: (-0.50 0.12 0.38) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( -2.832 10.646 -3.442) 11.542 1.785 ( 3.890 6.537 -4.228) 8.703 2.083 ( -0.649 0.131 0.566) 0.871 2.240 ( 3.051 2.670 2.945) 5.011 2.616 ( -7.242 -5.070 -4.729) 10.026 2.871 ( -4.871 4.645 1.416) 6.878 2.985 ( -3.503 0.164 10.107) 10.698 3.134 ( -0.767 0.713 5.518) 5.617 3.207 ( 4.729 0.951 5.023) 6.964 3.437 ( -6.364 -2.965 5.357) 8.831 3.490 ( 5.049 7.120 0.985) 8.784 3.587 ( -0.146 -6.587 -1.509) 6.760 3.747 ( 0.804 -0.432 3.814) 3.921 3.898 ( -0.404 -2.007 -2.026) 2.880 4.048 ( 1.349 -8.039 -6.290) 10.296 4.129 ( 5.834 1.115 -2.058) 6.286 4.418 ( -1.269 3.561 -1.168) 3.957 4.455 ( -10.846 -6.824 0.631) 12.829 4.575 ( -3.105 6.616 4.883) 8.789 4.682 ( 2.690 5.787 -4.714) 7.934 5.012 ( 2.422 -4.097 -2.877) 5.562 5.058 ( 3.904 -0.422 -4.657) 6.092 5.334 ( -2.044 0.409 -2.423) 3.197 5.859 ( -1.278 -3.188 -2.537) 4.271 6.156 ( 6.563 -0.532 -0.442) 6.599 6.877 ( -0.997 0.157 -2.800) 2.976 7.111 ( 3.646 -0.105 0.705) 3.715 7.155 ( 1.957 -0.868 3.791) 4.353 7.485 ( -0.163 -2.739 -2.900) 3.992 7.623 ( -1.757 -4.274 7.382) 8.709 8.282 ( -2.729 2.496 -3.609) 5.167 8.664 ( -0.433 3.563 2.375) 4.303 9.883 ( 2.149 2.253 -2.195) 3.810 10.276 ( -1.505 -1.893 1.869) 3.056 12.644 ( 0.142 0.908 -0.620) 1.108 14.448 ( -0.004 -3.363 7.837) 8.528 15.163 ( -3.929 -0.587 -6.825) 7.897 17.140 ( -4.251 0.912 2.422) 4.977 17.327 ( -0.844 -0.672 2.371) 2.605 17.963 ( -0.556 0.078 -0.790) 0.969 18.061 ( 8.202 1.485 -5.651) 10.070 18.803 ( -0.115 2.861 -1.994) 3.489 ======================= Grid point 215 (106/150) ======================= q-point: (-0.38 0.12 0.38) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( -3.296 17.377 0.493) 17.694 1.788 ( 9.161 12.781 8.298) 17.780 2.010 ( -11.100 -5.106 2.890) 12.555 2.312 ( 8.349 3.800 -1.119) 9.241 2.473 ( -8.627 0.023 -5.114) 10.029 2.755 ( -6.366 -0.109 4.587) 7.847 2.955 ( -3.231 3.272 1.591) 4.866 3.075 ( -6.638 8.713 7.804) 13.449 3.142 ( -8.539 0.688 4.945) 9.891 3.383 ( 1.289 5.453 -3.143) 6.425 3.456 ( 5.455 -2.404 5.709) 8.254 3.733 ( -7.611 -1.402 -3.093) 8.334 3.798 ( 4.242 -6.262 9.994) 12.534 3.897 ( -3.909 -3.446 7.159) 8.855 4.204 ( 4.270 1.332 -5.626) 7.187 4.219 ( -0.435 -7.553 -5.430) 9.312 4.315 ( -3.706 -2.143 -1.743) 4.622 4.338 ( -2.335 1.748 0.560) 2.970 4.437 ( 5.387 8.991 -2.758) 10.838 4.741 ( 4.698 -2.880 -1.975) 5.854 5.061 ( -0.456 -2.807 -6.358) 6.966 5.119 ( 1.698 -3.586 -8.245) 9.150 5.273 ( -0.532 1.101 -2.824) 3.077 5.889 ( 0.362 -5.697 -2.972) 6.436 6.262 ( 6.844 3.191 -3.323) 8.251 6.848 ( -1.818 -1.418 -2.006) 3.056 7.164 ( 0.449 -2.765 -0.068) 2.802 7.277 ( 8.082 2.079 6.009) 10.283 7.538 ( -1.966 -4.517 1.905) 5.282 7.566 ( -2.195 -0.167 -0.278) 2.219 8.386 ( 9.125 -4.891 8.678) 13.510 8.605 ( -2.346 2.926 3.456) 5.100 9.812 ( -1.209 7.803 -4.577) 9.126 10.278 ( -2.961 -3.340 -0.785) 4.532 12.647 ( 1.842 0.801 0.050) 2.009 14.616 ( 5.983 -9.741 10.615) 15.600 15.048 ( -7.148 -1.349 -5.127) 8.899 17.053 ( -5.496 0.262 1.885) 5.817 17.321 ( -0.339 1.355 2.674) 3.017 17.943 ( -0.688 2.519 -1.856) 3.204 18.144 ( 8.334 4.574 -5.663) 11.066 18.756 ( -1.321 2.205 -1.516) 2.984 ======================= Grid point 216 (107/150) ======================= q-point: (-0.25 0.12 0.38) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( 4.954 12.945 7.028) 15.540 1.803 ( -3.908 9.284 14.343) 17.526 1.919 ( -0.494 -3.118 1.017) 3.317 2.336 ( 0.993 6.971 0.218) 7.045 2.390 ( 0.065 3.196 -2.758) 4.222 2.632 ( -7.616 3.905 12.737) 15.346 2.652 ( -12.742 7.589 -3.315) 15.197 3.001 ( -3.647 2.925 2.919) 5.512 3.080 ( 3.432 2.692 6.259) 7.629 3.380 ( 3.259 6.186 0.215) 6.995 3.546 ( -9.928 -2.196 -0.634) 10.188 3.640 ( 4.871 -4.681 4.696) 8.227 3.780 ( -6.681 5.177 9.338) 12.595 3.874 ( -7.128 0.129 -1.171) 7.224 4.134 ( -1.781 -3.296 4.777) 6.071 4.192 ( 0.865 6.357 -12.896) 14.404 4.302 ( 0.629 -1.707 3.537) 3.978 4.392 ( 4.324 -9.231 -2.668) 10.537 4.676 ( 14.907 -2.689 -6.681) 16.555 4.824 ( -0.636 -5.106 -3.180) 6.048 4.958 ( -5.403 2.444 -9.286) 11.018 5.132 ( -2.171 -6.666 -9.827) 12.071 5.332 ( 5.494 -1.378 -1.760) 5.931 5.986 ( 2.487 -8.906 -2.776) 9.654 6.258 ( 2.002 8.722 -6.694) 11.175 6.834 ( -1.761 -2.350 -0.097) 2.938 7.145 ( -4.290 1.352 1.053) 4.620 7.392 ( 6.623 3.742 5.143) 9.182 7.456 ( -0.162 3.527 5.610) 6.629 7.756 ( 7.389 -11.084 2.254) 13.510 8.424 ( -11.088 -4.047 -2.288) 12.023 8.795 ( 16.339 -3.957 15.901) 23.140 9.672 ( -0.430 9.031 -7.019) 11.446 10.215 ( -6.287 -0.562 -2.670) 6.854 12.701 ( 4.224 -0.643 0.019) 4.272 14.797 ( -3.273 -0.309 2.430) 4.088 15.052 ( 3.507 -17.295 6.896) 18.946 16.968 ( -3.929 0.333 0.741) 4.012 17.310 ( 0.625 2.506 2.601) 3.665 17.831 ( -2.420 9.993 -6.231) 12.022 18.242 ( 9.241 2.335 -1.552) 9.657 18.694 ( -2.850 1.495 -1.432) 3.522 ======================= Grid point 217 (108/150) ======================= q-point: (-0.12 0.12 0.38) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( 12.665 5.209 15.642) 20.790 1.615 ( -16.629 -2.182 13.404) 21.470 1.956 ( 1.546 2.564 -0.901) 3.126 2.201 ( -9.504 2.661 -0.650) 9.890 2.339 ( 5.750 8.223 -2.692) 10.389 2.399 ( 0.719 9.272 -0.302) 9.304 2.674 ( 7.839 5.787 16.751) 19.379 2.957 ( -1.506 -1.436 3.911) 4.431 3.109 ( -0.651 1.344 1.481) 2.103 3.240 ( -5.769 6.580 3.554) 9.445 3.540 ( 5.386 2.808 0.366) 6.085 3.630 ( -2.448 6.764 0.104) 7.194 3.719 ( -2.612 1.677 1.108) 3.295 3.784 ( -1.339 -2.877 0.665) 3.242 4.124 ( 0.306 -1.048 -3.843) 3.995 4.193 ( 1.305 -3.845 0.884) 4.156 4.411 ( 2.085 -6.609 3.508) 7.768 4.524 ( 0.086 -6.716 -1.155) 6.815 4.714 ( -7.783 1.978 -6.655) 10.430 4.811 ( 0.068 -1.956 -8.517) 8.739 4.936 ( 8.111 1.300 -8.496) 11.818 5.150 ( -2.048 -8.933 -8.478) 12.485 5.403 ( 1.222 -0.092 -1.478) 1.920 6.068 ( -2.501 4.722 -7.295) 9.043 6.167 ( 0.487 -4.792 -0.158) 4.819 6.843 ( -0.054 -2.412 1.211) 2.699 7.052 ( -1.207 5.440 3.634) 6.652 7.447 ( 5.684 7.184 0.163) 9.162 7.497 ( 1.843 -1.537 5.600) 6.093 8.017 ( 4.600 -10.943 4.829) 12.815 8.230 ( -12.665 -1.585 1.533) 12.856 9.158 ( 10.445 -6.356 6.881) 14.030 9.576 ( 2.162 5.182 -6.606) 8.670 10.067 ( -5.741 3.793 -2.469) 7.310 12.778 ( 2.087 -1.672 -1.151) 2.912 14.713 ( -0.904 2.924 0.322) 3.077 15.387 ( 0.079 -22.386 7.213) 23.520 16.933 ( 1.290 0.736 -0.387) 1.535 17.307 ( 1.161 2.607 1.678) 3.310 17.624 ( -1.766 13.533 -5.201) 14.605 18.381 ( 5.340 -1.570 -0.687) 5.608 18.623 ( -0.640 2.002 -1.775) 2.751 ======================= Grid point 220 (109/150) ======================= q-point: ( 0.25 0.25 0.38) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( 6.542 0.000 -12.617) 14.213 1.793 ( 5.171 0.000 -14.279) 15.186 2.162 ( 0.357 0.000 2.929) 2.950 2.225 ( 4.215 0.000 6.216) 7.510 2.615 ( -5.328 -0.000 -2.322) 5.813 2.872 ( 13.275 0.000 11.397) 17.497 2.906 ( 2.975 0.000 7.581) 8.144 3.070 ( 5.647 0.000 4.518) 7.232 3.266 ( 11.349 0.000 2.351) 11.590 3.277 ( -6.545 -0.000 13.405) 14.918 3.528 ( -11.022 -0.000 -5.756) 12.434 3.573 ( -7.399 -0.000 -5.133) 9.005 3.769 ( -0.938 -0.000 -1.219) 1.538 3.965 ( -5.495 -0.000 -1.059) 5.596 3.978 ( 11.847 0.000 -3.021) 12.226 4.249 ( -11.629 -0.000 11.127) 16.094 4.259 ( -7.696 -0.000 -8.256) 11.287 4.492 ( 6.075 0.000 -9.917) 11.630 4.665 ( 8.421 0.000 -0.407) 8.431 4.776 ( -5.872 -0.000 -1.245) 6.002 4.889 ( 6.932 0.000 8.732) 11.149 5.081 ( -1.660 -0.000 -4.808) 5.086 5.367 ( -0.119 -0.000 0.140) 0.183 5.851 ( -3.945 -0.000 -1.639) 4.272 6.035 ( 4.764 0.000 -1.192) 4.910 6.923 ( -1.280 -0.000 2.904) 3.174 7.093 ( -1.373 -0.000 -1.485) 2.023 7.156 ( -4.406 -0.000 -0.409) 4.425 7.474 ( -1.812 -0.000 -2.042) 2.731 7.477 ( 0.649 0.000 4.932) 4.974 8.501 ( -10.838 -0.000 -12.796) 16.769 8.786 ( 0.448 0.000 6.372) 6.388 9.730 ( 9.781 0.000 -2.126) 10.010 10.304 ( -1.867 -0.000 4.423) 4.801 12.661 ( 0.073 0.000 -1.490) 1.492 14.508 ( -10.989 -0.000 7.789) 13.469 15.222 ( 0.352 0.000 -9.353) 9.360 17.232 ( -2.469 -0.000 2.394) 3.439 17.269 ( 1.249 0.000 3.066) 3.311 17.896 ( 10.473 0.000 -4.939) 11.580 17.996 ( -2.688 -0.000 -2.609) 3.746 18.867 ( 0.851 0.000 -2.878) 3.001 ======================= Grid point 221 (110/150) ======================= q-point: (-0.62 0.25 0.38) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( 3.104 0.876 -6.636) 7.378 1.810 ( 3.741 1.398 -6.050) 7.249 2.172 ( -1.659 5.971 4.440) 7.623 2.275 ( 1.767 -1.520 6.245) 6.665 2.555 ( 1.299 -0.704 -6.012) 6.191 2.983 ( -3.522 3.142 3.457) 5.851 3.000 ( -4.374 2.737 11.407) 12.519 3.136 ( -1.113 0.968 1.717) 2.263 3.206 ( 4.121 -3.685 10.172) 11.577 3.409 ( -3.041 -1.661 -0.391) 3.487 3.452 ( 4.004 -0.240 5.753) 7.013 3.581 ( 11.427 0.767 -5.375) 12.651 3.728 ( -3.059 -3.169 -0.302) 4.415 3.897 ( -2.566 -2.253 -4.231) 5.437 3.960 ( -10.162 6.489 1.945) 12.213 4.130 ( -0.768 -1.045 -1.282) 1.824 4.240 ( 0.782 -9.099 -1.123) 9.201 4.523 ( 0.231 3.960 -5.706) 6.950 4.640 ( -4.970 0.922 1.432) 5.254 4.782 ( 3.819 -1.136 -5.066) 6.445 4.994 ( 1.758 3.373 4.627) 5.990 5.050 ( 1.048 -0.528 -5.319) 5.447 5.343 ( -1.010 0.394 -1.725) 2.038 5.785 ( -3.907 -2.297 -3.169) 5.530 6.131 ( 6.161 -1.111 -1.828) 6.522 6.907 ( -0.812 1.918 -0.900) 2.269 7.099 ( -3.185 -2.917 1.695) 4.640 7.126 ( 5.380 0.492 3.032) 6.195 7.440 ( -1.388 -0.306 -4.679) 4.890 7.528 ( 0.272 -3.171 5.986) 6.780 8.325 ( -3.252 0.948 -3.723) 5.033 8.775 ( -1.814 3.939 5.062) 6.665 9.889 ( 7.669 -0.741 -2.146) 7.998 10.256 ( -4.420 -0.194 1.163) 4.574 12.659 ( 0.441 0.370 -0.953) 1.113 14.398 ( -4.468 -1.051 6.251) 7.755 15.163 ( -3.682 0.213 -5.692) 6.783 17.164 ( -5.048 0.851 2.301) 5.612 17.312 ( 1.238 -0.474 4.252) 4.453 17.964 ( -0.475 0.031 -0.280) 0.552 18.058 ( 9.732 -0.682 -7.032) 12.026 18.857 ( 0.279 1.419 -3.714) 3.986 ======================= Grid point 222 (111/150) ======================= q-point: (-0.50 0.25 0.38) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( -10.065 -1.845 -0.875) 10.270 1.834 ( 3.487 9.706 4.975) 11.451 2.107 ( 4.011 7.981 6.324) 10.944 2.382 ( 8.107 1.986 0.827) 8.388 2.539 ( -0.849 3.265 -7.425) 8.156 2.759 ( -6.369 0.285 0.604) 6.404 3.035 ( 0.676 4.535 13.250) 14.021 3.119 ( -1.954 0.558 -0.203) 2.043 3.290 ( -8.287 -0.372 7.759) 11.358 3.322 ( -6.964 3.742 6.284) 10.099 3.536 ( 7.019 -3.106 -0.486) 7.691 3.650 ( -0.251 -4.084 6.883) 8.007 3.716 ( -3.755 0.493 -0.173) 3.791 3.822 ( -3.012 -0.024 -1.372) 3.310 4.052 ( -5.577 -4.981 -0.801) 7.520 4.083 ( 14.249 -8.941 -4.979) 17.543 4.307 ( -3.181 4.107 -1.279) 5.349 4.434 ( 0.902 0.910 -3.812) 4.021 4.605 ( -0.746 1.582 3.335) 3.766 4.798 ( 2.487 5.679 -7.332) 9.602 4.933 ( -3.552 -2.756 -5.163) 6.846 5.085 ( 3.458 -1.263 -6.013) 7.051 5.304 ( -2.123 1.679 -3.590) 4.496 5.751 ( -3.010 -5.534 -4.392) 7.679 6.262 ( 6.888 -2.707 -3.083) 8.018 6.854 ( -1.580 1.578 -1.797) 2.866 7.103 ( -1.628 -3.260 1.070) 3.798 7.273 ( 6.763 -2.396 5.688) 9.156 7.422 ( 1.228 -1.519 -3.549) 4.051 7.562 ( -2.053 -1.613 4.547) 5.244 8.358 ( 5.971 0.923 5.342) 8.065 8.697 ( -2.395 4.212 6.462) 8.077 9.950 ( 1.899 4.561 -3.690) 6.166 10.196 ( -3.638 -3.550 -1.859) 5.412 12.664 ( 1.270 0.613 -0.638) 1.548 14.432 ( 0.967 -5.842 7.477) 9.537 15.052 ( -6.165 0.862 -2.854) 6.848 17.068 ( -5.256 0.808 1.501) 5.526 17.347 ( 0.988 0.879 4.898) 5.074 17.969 ( 0.716 0.462 1.331) 1.581 18.188 ( 7.841 -0.035 -8.807) 11.792 18.817 ( -0.569 2.554 -4.263) 5.002 ======================= Grid point 223 (112/150) ======================= q-point: (-0.38 0.25 0.38) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( -7.494 2.264 -0.046) 7.829 1.738 ( -3.704 7.624 6.053) 10.415 2.126 ( 4.199 10.376 6.057) 12.727 2.473 ( 6.013 4.826 0.826) 7.754 2.533 ( 8.232 6.934 -1.867) 10.923 2.687 ( -3.030 2.172 7.918) 8.752 2.840 ( -18.629 7.740 5.716) 20.967 3.063 ( -2.133 2.203 0.347) 3.086 3.151 ( 3.448 3.099 11.798) 12.676 3.392 ( -2.242 -8.178 4.887) 9.787 3.522 ( -5.850 2.237 -3.597) 7.223 3.655 ( 6.301 5.358 1.779) 8.460 3.771 ( -4.955 -3.579 5.223) 8.040 3.795 ( -2.094 -5.556 4.865) 7.676 4.060 ( -3.604 -6.363 -1.024) 7.385 4.212 ( -0.195 -1.140 0.951) 1.497 4.320 ( 4.341 -1.025 -2.255) 4.998 4.373 ( -0.386 7.723 -9.888) 12.553 4.640 ( 6.854 -1.208 0.991) 7.030 4.747 ( 3.572 1.859 -10.914) 11.633 4.930 ( -4.097 -8.067 -3.942) 9.870 5.072 ( -2.786 4.359 -10.513) 11.717 5.275 ( 2.829 -3.605 -3.737) 5.913 5.779 ( -0.906 -8.657 -5.047) 10.061 6.361 ( 2.683 -0.093 -5.405) 6.035 6.817 ( -0.730 0.396 -0.803) 1.155 7.120 ( -0.744 -2.734 1.696) 3.302 7.409 ( -1.009 -8.099 4.876) 9.507 7.491 ( 4.757 1.207 1.382) 5.098 7.586 ( 5.739 1.265 5.617) 8.129 8.370 ( -7.249 -0.238 -1.777) 7.468 8.788 ( 12.490 1.572 16.726) 20.934 9.844 ( -2.977 6.434 -8.202) 10.841 10.177 ( -2.908 -2.712 -2.155) 4.522 12.692 ( 2.619 -0.131 -0.820) 2.747 14.608 ( 3.246 -12.255 9.097) 15.604 14.920 ( -6.061 1.719 0.234) 6.304 16.986 ( -2.975 1.013 0.298) 3.157 17.365 ( 0.931 2.095 4.901) 5.411 17.967 ( 0.356 3.138 -0.294) 3.172 18.271 ( 5.546 -0.033 -8.241) 9.933 18.751 ( -1.392 3.063 -4.061) 5.274 ======================= Grid point 224 (113/150) ======================= q-point: (-0.25 0.25 0.38) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( -0.784 -2.419 3.876) 4.635 1.600 ( -2.133 10.404 7.329) 12.904 2.070 ( -0.387 6.661 2.906) 7.277 2.322 ( -12.980 8.340 1.825) 15.536 2.499 ( -2.840 5.716 -2.051) 6.704 2.625 ( 6.845 8.329 4.067) 11.522 2.818 ( 13.041 6.668 17.306) 22.672 3.010 ( 0.223 4.652 1.874) 5.020 3.178 ( -4.957 4.937 0.375) 7.007 3.307 ( -3.780 -1.667 6.470) 7.676 3.597 ( 5.089 -1.647 2.314) 5.828 3.672 ( -1.227 1.435 5.511) 5.826 3.721 ( -4.683 -2.929 -1.956) 5.859 3.778 ( 0.567 1.774 2.829) 3.387 4.071 ( -1.381 -4.262 4.921) 6.655 4.217 ( -1.781 6.727 -12.368) 14.191 4.272 ( 1.261 -4.988 -2.628) 5.777 4.400 ( 2.485 -2.884 1.852) 4.233 4.698 ( -2.577 -4.071 -4.353) 6.494 4.791 ( 0.951 2.247 -6.968) 7.383 4.918 ( -6.145 -6.122 -8.865) 12.403 4.993 ( 8.602 -1.144 -8.329) 12.028 5.368 ( 2.140 -3.433 -2.603) 4.810 5.871 ( 0.159 -11.428 -4.861) 12.420 6.293 ( -4.248 5.096 -4.674) 8.116 6.815 ( 0.776 -0.380 -0.499) 0.998 7.134 ( -0.175 1.191 3.059) 3.288 7.463 ( -0.542 -2.522 6.592) 7.079 7.581 ( 4.564 -0.698 -0.238) 4.623 7.749 ( 5.757 -4.633 4.366) 8.583 8.193 ( -10.892 -1.503 0.689) 11.017 9.093 ( 14.077 -0.021 13.293) 19.362 9.675 ( -5.006 3.859 -10.770) 12.488 10.127 ( -2.544 1.094 -1.673) 3.236 12.741 ( 1.789 -1.406 -1.529) 2.741 14.795 ( 1.740 3.028 -0.223) 3.499 14.890 ( -2.756 -18.752 11.090) 21.959 16.956 ( 1.252 1.163 -0.674) 1.837 17.371 ( 0.996 2.720 3.942) 4.892 17.886 ( -0.969 8.795 -4.390) 9.877 18.331 ( 1.986 -2.594 -4.536) 5.590 18.683 ( -0.184 2.939 -3.355) 4.464 ======================= Grid point 225 (114/150) ======================= q-point: (-0.12 0.25 0.38) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( -8.806 1.264 7.642) 11.728 1.719 ( 15.236 3.007 10.949) 19.002 1.987 ( -3.253 6.013 -3.709) 7.778 2.090 ( -3.747 2.437 3.970) 5.979 2.432 ( 3.558 5.719 -0.522) 6.755 2.656 ( 5.445 10.681 -1.611) 12.096 2.943 ( -1.931 3.635 2.364) 4.747 2.986 ( 0.364 3.835 9.746) 10.479 3.103 ( 7.181 1.022 2.534) 7.684 3.280 ( -1.174 5.127 11.156) 12.334 3.615 ( -0.809 -0.444 -5.739) 5.813 3.677 ( 2.603 4.721 6.758) 8.645 3.690 ( -1.378 -4.573 -0.249) 4.783 3.859 ( 9.394 9.099 1.610) 13.177 4.045 ( -5.007 -1.905 -4.710) 7.133 4.190 ( 0.936 -6.114 0.980) 6.262 4.339 ( -0.143 -3.425 -1.811) 3.877 4.421 ( -2.988 -5.716 1.651) 6.658 4.662 ( -1.084 1.923 -0.017) 2.208 4.743 ( -2.790 -3.613 -9.571) 10.604 4.896 ( -0.913 -5.314 -4.825) 7.236 5.134 ( 7.017 -1.456 -9.869) 12.196 5.374 ( -2.727 -0.228 -2.104) 3.452 5.969 ( -1.842 -9.077 -4.062) 10.114 6.127 ( -4.731 5.333 -0.013) 7.129 6.849 ( 2.355 -1.477 -1.512) 3.165 7.122 ( 0.782 2.851 3.380) 4.490 7.500 ( -0.945 -1.964 3.191) 3.864 7.606 ( 2.107 7.672 -3.404) 8.654 7.783 ( -13.153 -9.813 1.078) 16.445 8.180 ( 4.901 -4.703 8.906) 11.201 9.291 ( 3.441 1.039 -1.968) 4.098 9.527 ( -3.420 1.325 -5.268) 6.419 10.095 ( 2.425 2.179 1.647) 3.652 12.753 ( -1.588 -1.257 -1.990) 2.839 14.786 ( 1.258 2.378 5.202) 5.857 15.102 ( -3.380 -19.351 1.288) 19.686 17.004 ( 5.346 0.286 -0.628) 5.391 17.361 ( 0.245 3.282 1.365) 3.563 17.740 ( 0.690 11.370 -3.518) 11.922 18.322 ( -5.124 -2.416 -3.751) 6.794 18.690 ( 4.433 0.232 -2.113) 4.916 ======================= Grid point 229 (115/150) ======================= q-point: ( 0.38 -0.62 0.38) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( -16.006 -0.000 4.940) 16.751 2.010 ( 13.854 0.000 6.018) 15.105 2.215 ( 3.858 0.000 2.834) 4.787 2.407 ( 11.513 0.000 1.776) 11.649 2.558 ( -4.509 -0.000 -9.055) 10.115 2.760 ( -7.641 -0.000 -3.177) 8.275 3.122 ( 3.853 0.000 18.811) 19.202 3.148 ( -5.465 -0.000 8.652) 10.233 3.204 ( 0.698 0.000 -1.108) 1.309 3.413 ( -9.345 -0.000 -0.401) 9.353 3.518 ( -4.777 -0.000 8.574) 9.814 3.526 ( 0.921 0.000 3.167) 3.298 3.748 ( -8.090 -0.000 3.634) 8.868 3.821 ( -1.668 -0.000 -4.024) 4.356 3.956 ( 16.925 0.000 -6.215) 18.030 4.040 ( -0.876 -0.000 -6.054) 6.117 4.342 ( 7.839 0.000 1.356) 7.955 4.476 ( -9.469 -0.000 -0.408) 9.478 4.575 ( 2.034 0.000 -4.137) 4.610 4.779 ( -1.770 -0.000 -2.285) 2.890 5.036 ( -1.156 -0.000 -5.239) 5.365 5.040 ( 2.165 0.000 -7.180) 7.499 5.333 ( -0.061 -0.000 -1.724) 1.725 5.681 ( -4.564 -0.000 -4.582) 6.467 6.210 ( 4.871 0.000 -3.754) 6.150 6.889 ( -2.013 -0.000 -2.818) 3.464 7.037 ( -1.953 -0.000 4.561) 4.962 7.248 ( 3.469 0.000 0.127) 3.471 7.418 ( 4.167 0.000 -2.129) 4.679 7.535 ( 0.271 0.000 5.962) 5.968 8.374 ( 5.513 0.000 5.208) 7.584 8.752 ( -4.137 -0.000 6.788) 7.950 10.008 ( 6.316 0.000 -1.937) 6.606 10.147 ( -6.870 -0.000 -3.742) 7.823 12.671 ( 1.088 0.000 -0.866) 1.391 14.366 ( -1.003 -0.000 6.183) 6.264 15.065 ( -5.604 -0.000 -2.189) 6.016 17.079 ( -5.328 -0.000 1.375) 5.502 17.357 ( 1.501 0.000 5.782) 5.974 17.973 ( 1.038 0.000 1.920) 2.182 18.182 ( 7.914 0.000 -9.250) 12.173 18.848 ( -0.383 -0.000 -5.160) 5.174 ======================= Grid point 231 (116/150) ======================= q-point: (-0.50 0.38 0.38) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( -14.339 -4.970 9.861) 18.098 2.142 ( 4.988 18.927 0.957) 19.597 2.294 ( 2.110 4.070 2.461) 5.203 2.464 ( 5.800 -7.672 0.446) 9.628 2.649 ( 14.279 2.840 4.722) 15.305 2.723 ( -0.856 1.197 -0.954) 1.754 2.994 ( -24.777 5.193 10.262) 27.316 3.098 ( -3.647 0.761 8.546) 9.323 3.185 ( -2.037 -1.052 2.883) 3.683 3.270 ( 2.926 -1.153 11.718) 12.133 3.507 ( -4.338 -1.438 -2.773) 5.345 3.601 ( 3.072 -4.216 -3.707) 6.399 3.685 ( -2.353 -2.178 8.487) 9.073 3.805 ( -1.170 -3.689 -3.371) 5.133 3.996 ( 1.773 5.788 -3.086) 6.795 4.235 ( 9.853 -4.147 -4.461) 11.584 4.298 ( -4.160 5.322 2.191) 7.101 4.461 ( 3.564 -0.816 -2.263) 4.300 4.596 ( -0.690 -0.907 -3.558) 3.736 4.735 ( -4.628 -5.852 -2.042) 7.736 4.927 ( 2.257 8.460 -13.559) 16.140 5.110 ( 4.474 -4.540 -6.350) 8.997 5.270 ( -3.695 5.296 -4.064) 7.630 5.618 ( -3.062 -5.273 -5.443) 8.174 6.283 ( 1.932 -4.389 -3.824) 6.133 6.837 ( -1.557 1.003 -1.686) 2.504 7.058 ( 0.330 -2.122 4.113) 4.640 7.244 ( -1.494 -3.647 -4.610) 6.066 7.550 ( 2.085 2.096 5.385) 6.143 7.606 ( 10.354 -0.114 7.511) 12.792 8.388 ( -7.078 0.974 -1.460) 7.292 8.822 ( 10.210 0.978 16.590) 19.505 9.962 ( -6.490 3.820 -8.456) 11.323 10.107 ( 1.083 -2.961 -2.047) 3.759 12.692 ( 1.793 0.046 -1.274) 2.200 14.412 ( 0.522 -4.526 7.113) 8.447 14.962 ( -4.643 1.234 0.658) 4.849 17.005 ( -2.763 0.495 0.052) 2.808 17.397 ( 0.862 0.742 6.307) 6.409 18.007 ( 1.873 0.743 2.773) 3.428 18.258 ( 4.465 -0.568 -10.183) 11.133 18.804 ( -1.317 1.330 -5.723) 6.021 ======================= Grid point 232 (117/150) ======================= q-point: (-0.38 0.38 0.38) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( -1.948 -5.236 8.161) 9.890 1.953 ( 0.475 16.200 -1.117) 16.245 2.238 ( -3.483 8.518 5.731) 10.842 2.529 ( -12.467 8.536 1.976) 15.238 2.581 ( -8.836 0.911 5.635) 10.519 2.753 ( 9.861 3.048 2.274) 10.569 2.929 ( 15.401 1.819 13.413) 20.504 3.092 ( 0.218 2.581 4.944) 5.581 3.188 ( -5.241 -6.227 2.992) 8.672 3.303 ( -0.291 4.769 1.220) 4.931 3.492 ( -0.749 -3.808 5.678) 6.877 3.630 ( -2.414 -3.875 -5.029) 6.792 3.721 ( -1.225 -3.610 9.548) 10.281 3.809 ( 1.031 1.705 -2.270) 3.020 3.979 ( 1.259 -0.896 -0.670) 1.684 4.224 ( 0.267 2.119 1.582) 2.658 4.330 ( -1.564 -1.391 -2.786) 3.485 4.445 ( 2.334 8.242 -9.180) 12.556 4.577 ( -2.334 -5.549 -2.690) 6.593 4.722 ( -5.392 -8.008 -2.808) 10.054 4.925 ( 10.014 5.027 -10.702) 15.495 5.074 ( -2.232 9.028 -6.698) 11.461 5.242 ( 2.612 -7.469 -5.480) 9.625 5.646 ( -0.729 -8.488 -5.663) 10.230 6.309 ( -3.491 -3.320 -2.602) 5.475 6.813 ( 0.168 0.075 -0.856) 0.876 7.118 ( 1.988 -1.676 2.470) 3.586 7.280 ( -1.094 -8.761 -0.932) 8.879 7.561 ( 0.659 1.616 4.053) 4.413 7.826 ( 11.931 4.037 7.557) 14.688 8.173 ( -13.516 -0.159 -1.615) 13.613 9.117 ( 15.323 1.376 16.176) 22.324 9.748 ( -8.867 2.468 -12.492) 15.517 10.124 ( -0.851 -0.883 -1.298) 1.785 12.719 ( 1.458 -0.527 -1.909) 2.459 14.530 ( -0.672 -10.792 7.946) 13.418 14.892 ( -0.535 3.201 1.681) 3.655 16.980 ( 1.142 0.889 -0.894) 1.701 17.418 ( 0.248 1.327 5.774) 5.930 18.022 ( 1.252 3.679 0.328) 3.900 18.278 ( 0.552 -1.849 -8.303) 8.525 18.739 ( -1.395 1.834 -4.824) 5.347 ======================= Grid point 233 (118/150) ======================= q-point: (-0.25 0.38 0.38) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( 2.296 2.857 5.856) 6.908 1.831 ( 4.285 8.658 2.099) 9.886 2.115 ( -1.282 3.767 6.007) 7.205 2.224 ( -8.886 9.671 1.831) 13.261 2.540 ( 2.591 3.490 5.597) 7.087 2.863 ( 6.830 7.282 1.581) 10.109 2.997 ( -12.029 -0.226 -4.710) 12.921 3.079 ( -2.212 6.370 0.038) 6.743 3.216 ( 11.033 3.975 9.011) 14.789 3.313 ( 2.378 -1.865 13.384) 13.721 3.519 ( -3.638 -6.067 3.897) 8.077 3.599 ( -1.764 -2.391 -2.629) 3.967 3.780 ( 2.845 3.623 -0.970) 4.707 3.873 ( 4.142 -4.363 5.843) 8.386 4.053 ( 3.986 -3.049 1.298) 5.184 4.181 ( -3.017 4.746 -2.477) 6.145 4.250 ( -1.040 -0.575 -1.651) 2.034 4.383 ( -2.457 1.165 -3.277) 4.258 4.595 ( -2.518 -4.760 -8.000) 9.643 4.741 ( 0.738 -6.557 -0.784) 6.645 4.858 ( 0.648 10.356 -3.363) 10.908 5.101 ( 7.475 -1.402 -11.698) 13.953 5.317 ( -0.294 -5.046 -3.952) 6.416 5.730 ( 0.276 -10.030 -4.172) 10.867 6.224 ( -6.073 1.338 0.643) 6.251 6.830 ( 1.901 -0.488 -1.919) 2.745 7.149 ( -0.410 -0.230 1.407) 1.483 7.385 ( -0.754 -9.902 2.303) 10.194 7.575 ( -0.793 -1.680 1.390) 2.320 7.805 ( -9.069 5.750 -4.200) 11.530 8.114 ( 5.981 -0.885 9.467) 11.233 9.348 ( 3.824 3.349 -0.230) 5.088 9.557 ( -1.315 1.340 -3.154) 3.671 10.107 ( -0.953 -0.882 0.238) 1.320 12.729 ( -0.475 -0.731 -2.223) 2.388 14.646 ( -7.396 -13.884 9.927) 18.601 14.915 ( 8.093 2.721 -2.500) 8.896 17.018 ( 4.462 0.795 -0.846) 4.610 17.419 ( -0.303 1.702 3.772) 4.149 17.959 ( -0.076 7.699 -3.095) 8.298 18.259 ( -3.435 -2.943 -4.916) 6.680 18.700 ( 0.584 0.535 -2.601) 2.719 ======================= Grid point 234 (119/150) ======================= q-point: (-0.12 0.38 0.38) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( 5.077 7.371 0.728) 8.980 1.875 ( -1.851 -0.312 0.358) 1.911 2.114 ( 9.780 7.390 6.832) 14.033 2.167 ( 6.078 1.815 5.015) 8.086 2.519 ( -4.366 5.836 -8.883) 11.490 2.734 ( -7.280 -1.705 3.958) 8.460 2.900 ( 3.592 7.049 0.972) 7.971 3.011 ( 0.476 2.817 2.256) 3.640 3.308 ( 4.316 5.214 3.847) 7.785 3.392 ( 1.098 5.000 12.198) 13.229 3.564 ( -4.374 -5.649 -1.067) 7.223 3.619 ( 4.633 -1.888 -2.031) 5.400 3.811 ( -4.182 -6.036 -3.318) 8.058 3.917 ( 2.363 0.185 7.040) 7.428 4.135 ( 2.724 2.050 3.696) 5.028 4.162 ( 5.070 3.407 0.266) 6.114 4.283 ( -3.303 3.913 -3.970) 6.479 4.328 ( 1.214 -10.084 4.403) 11.070 4.544 ( -3.310 -4.447 -12.112) 13.320 4.754 ( 2.055 6.538 4.743) 8.335 4.884 ( 4.464 -3.404 -4.360) 7.108 5.119 ( -3.276 -0.924 -7.552) 8.283 5.347 ( 2.461 -0.966 -5.177) 5.813 5.835 ( 0.280 -8.814 -1.654) 8.972 6.106 ( -4.186 3.547 2.614) 6.078 6.870 ( 2.630 -0.908 -3.588) 4.540 7.144 ( -0.862 -0.506 2.603) 2.788 7.449 ( -2.418 -2.951 1.831) 4.233 7.454 ( -14.860 -2.305 -0.211) 15.040 7.664 ( 0.128 1.129 -2.935) 3.147 8.291 ( 7.624 -2.303 8.022) 11.304 9.147 ( -12.385 1.864 -16.469) 20.690 9.648 ( 8.176 5.299 4.534) 10.746 10.144 ( 1.925 -2.770 4.350) 5.504 12.705 ( -1.754 -0.243 -2.075) 2.728 14.652 ( -10.929 -10.027 10.865) 18.385 15.063 ( 10.090 -1.205 -8.280) 13.108 17.099 ( 4.965 0.091 0.051) 4.966 17.394 ( -0.670 2.578 0.487) 2.708 17.862 ( 1.241 7.902 -1.623) 8.162 18.182 ( -5.966 -1.641 -4.286) 7.527 18.730 ( 2.155 -1.978 -0.892) 3.058 ======================= Grid point 239 (120/150) ======================= q-point: (-0.50 0.50 0.38) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( 0.736 -0.000 12.338) 12.360 2.154 ( -5.373 -0.000 -7.593) 9.302 2.460 ( 5.546 -0.000 7.596) 9.405 2.497 ( -18.413 0.000 12.070) 22.017 2.659 ( -6.812 0.000 -4.592) 8.216 2.726 ( 9.813 -0.000 9.004) 13.318 2.952 ( 7.614 0.000 10.769) 13.189 3.111 ( 1.243 -0.000 8.046) 8.142 3.131 ( -1.992 -0.000 0.224) 2.004 3.366 ( 1.222 -0.000 1.939) 2.292 3.454 ( -0.119 -0.000 3.460) 3.462 3.579 ( -1.389 -0.000 -3.321) 3.600 3.672 ( 0.132 -0.000 7.791) 7.793 3.733 ( -1.153 -0.000 -2.004) 2.312 4.068 ( 2.903 -0.000 -5.036) 5.813 4.268 ( -2.598 -0.000 -3.786) 4.591 4.291 ( -0.160 0.000 1.937) 1.944 4.496 ( 0.025 -0.000 -0.945) 0.945 4.571 ( 0.692 -0.000 -4.590) 4.642 4.609 ( -3.044 -0.000 -2.555) 3.974 5.014 ( 7.010 -0.000 -18.564) 19.844 5.092 ( 1.544 0.000 -5.225) 5.449 5.261 ( -1.846 -0.000 -1.656) 2.480 5.511 ( -1.361 -0.000 -5.009) 5.190 6.240 ( -2.152 -0.000 -1.806) 2.810 6.815 ( -0.627 -0.000 -0.804) 1.020 7.094 ( 3.027 -0.000 2.419) 3.875 7.183 ( -1.060 -0.000 -3.861) 4.003 7.586 ( -0.133 -0.000 5.029) 5.031 7.868 ( 13.679 -0.000 8.970) 16.358 8.176 ( -15.044 -0.000 -2.817) 15.306 9.135 ( 15.761 -0.000 17.045) 23.216 9.778 ( -10.353 -0.000 -12.956) 16.585 10.110 ( -0.141 -0.000 -1.253) 1.261 12.714 ( 1.324 -0.000 -2.029) 2.423 14.408 ( -1.155 -0.000 7.035) 7.130 14.930 ( -0.070 -0.000 1.676) 1.677 16.991 ( 1.092 -0.000 -0.974) 1.463 17.432 ( -0.188 -0.000 6.492) 6.495 18.062 ( 2.289 -0.000 2.652) 3.504 18.257 ( 0.212 -0.000 -10.123) 10.126 18.760 ( -2.009 -0.000 -5.252) 5.623 ======================= Grid point 241 (121/150) ======================= q-point: (-0.38 0.50 0.38) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( 12.064 0.493 7.738) 14.341 2.052 ( -1.932 7.544 -0.109) 7.788 2.178 ( -10.776 1.712 11.428) 15.801 2.430 ( -8.701 6.695 -5.276) 12.181 2.588 ( 3.219 0.934 10.451) 10.975 2.929 ( -0.593 -1.359 -2.863) 3.224 3.056 ( -3.666 4.888 -0.115) 6.111 3.108 ( -3.434 -1.543 8.519) 9.314 3.156 ( 9.878 -6.210 6.778) 13.494 3.330 ( -1.509 2.806 0.301) 3.200 3.494 ( 1.444 1.867 6.233) 6.665 3.557 ( -0.275 -1.721 0.032) 1.743 3.734 ( 1.683 -2.470 4.078) 5.056 3.813 ( 4.462 -5.044 3.363) 7.527 4.036 ( -0.368 5.699 -5.380) 7.846 4.197 ( -5.038 -5.755 -1.931) 7.888 4.303 ( 2.991 4.941 0.694) 5.817 4.442 ( -4.667 0.416 -1.898) 5.055 4.573 ( -1.676 -5.897 -2.992) 6.822 4.598 ( 5.713 5.491 -5.758) 9.795 5.073 ( 4.390 -0.044 -7.602) 8.779 5.081 ( -0.314 0.236 -8.749) 8.758 5.213 ( 1.887 1.994 -3.133) 4.166 5.551 ( 2.265 -5.568 -3.279) 6.847 6.194 ( -4.669 -2.425 0.463) 5.282 6.820 ( 1.348 -0.365 -0.717) 1.570 7.141 ( 0.275 0.287 -0.943) 1.023 7.195 ( 1.520 -5.241 -1.330) 5.617 7.587 ( -1.115 0.946 4.163) 4.412 7.869 ( -16.448 0.529 -3.896) 16.911 8.133 ( 11.996 1.414 9.193) 15.180 9.410 ( 3.347 1.661 0.303) 3.749 9.583 ( 0.828 0.709 -1.391) 1.767 10.078 ( -3.351 -1.088 -0.785) 3.610 12.720 ( 0.053 -0.173 -2.315) 2.322 14.420 ( -4.248 -5.331 7.604) 10.212 14.978 ( 6.395 1.766 -0.962) 6.703 17.033 ( 4.146 0.397 -0.914) 4.264 17.440 ( -1.190 0.339 5.455) 5.593 18.082 ( 0.800 3.199 -0.847) 3.404 18.202 ( -3.269 -1.828 -7.420) 8.311 18.709 ( -1.420 0.251 -2.636) 3.004 ======================= Grid point 242 (122/150) ======================= q-point: (-0.25 0.50 0.38) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( 3.926 6.779 2.121) 8.116 1.928 ( -0.696 6.234 1.668) 6.491 2.210 ( 6.221 2.216 5.118) 8.355 2.270 ( 3.082 4.695 4.101) 6.954 2.628 ( -14.486 2.012 -10.883) 18.230 2.671 ( -2.912 -0.974 4.326) 5.305 3.016 ( 1.055 3.168 4.088) 5.278 3.131 ( 1.721 3.867 5.281) 6.768 3.312 ( 0.032 -1.911 7.515) 7.754 3.411 ( 3.061 -8.001 1.261) 8.659 3.519 ( 4.387 4.984 7.561) 10.063 3.574 ( 0.685 0.194 -0.164) 0.731 3.769 ( -9.147 0.504 -3.192) 9.701 3.808 ( -0.647 -5.279 3.997) 6.653 4.089 ( 3.885 -7.646 -0.095) 8.577 4.190 ( -0.355 -1.378 -4.838) 5.043 4.278 ( 1.544 5.933 -0.616) 6.161 4.360 ( -0.865 2.141 0.113) 2.312 4.538 ( 1.487 3.732 -3.215) 5.145 4.731 ( 5.953 -6.746 -2.597) 9.364 4.954 ( -3.121 5.719 -0.715) 6.554 5.144 ( 2.737 3.651 -9.247) 10.311 5.265 ( 3.836 -5.266 -2.508) 6.981 5.657 ( 3.380 -5.948 -1.500) 7.004 6.134 ( -4.675 -0.935 2.500) 5.383 6.859 ( 2.919 -0.277 -2.144) 3.632 7.127 ( -0.906 -0.477 -0.046) 1.025 7.288 ( 0.350 -6.766 -0.673) 6.808 7.495 ( -11.503 2.673 0.176) 11.811 7.644 ( -4.869 -2.696 -0.364) 5.577 8.316 ( 8.015 3.007 5.930) 10.414 9.202 ( -11.020 2.418 -15.965) 19.549 9.762 ( 9.955 4.836 7.925) 13.612 10.055 ( -1.392 -4.801 2.789) 5.724 12.702 ( -1.161 -0.003 -2.102) 2.401 14.432 ( -6.122 -7.771 8.263) 12.890 15.093 ( 9.988 2.303 -5.582) 11.671 17.109 ( 4.865 0.561 -0.004) 4.898 17.426 ( -1.624 0.425 2.964) 3.407 18.007 ( -2.101 4.853 -3.474) 6.327 18.138 ( -4.298 -2.016 -4.487) 6.532 18.698 ( 0.263 -0.849 0.346) 0.953 ======================= Grid point 243 (123/150) ======================= q-point: (-0.12 -0.50 0.38) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( 0.192 1.434 -0.552) 1.548 1.849 ( -1.837 4.656 -4.715) 6.877 2.191 ( -10.950 2.303 -4.996) 12.254 2.357 ( 0.054 0.554 0.869) 1.032 2.414 ( 10.400 2.469 2.961) 11.092 2.756 ( 7.321 2.061 3.232) 8.264 3.026 ( -0.592 -2.237 3.136) 3.897 3.118 ( 4.382 9.535 8.403) 13.443 3.370 ( -4.311 -6.087 0.431) 7.472 3.407 ( -1.825 7.006 -0.097) 7.240 3.503 ( -8.486 1.168 7.432) 11.341 3.611 ( 2.937 -7.079 3.460) 8.409 3.727 ( 6.016 0.337 -1.145) 6.133 3.840 ( -5.122 -6.998 1.228) 8.758 4.111 ( -3.755 2.903 -5.173) 7.021 4.208 ( 0.293 -2.896 -8.114) 8.621 4.295 ( 1.871 -4.561 4.806) 6.885 4.374 ( 2.639 0.123 1.992) 3.309 4.522 ( 2.868 3.647 -2.915) 5.479 4.868 ( 4.587 1.826 0.872) 5.013 4.903 ( 2.607 -2.938 -1.648) 4.260 5.049 ( -3.929 6.040 -3.416) 7.974 5.366 ( 2.963 -1.812 -3.367) 4.838 5.783 ( 3.162 -5.695 -0.197) 6.517 6.082 ( -1.967 0.705 2.644) 3.370 6.897 ( 2.533 0.626 -3.740) 4.561 7.130 ( 0.025 -0.426 2.082) 2.125 7.225 ( -10.229 1.344 -1.390) 10.411 7.380 ( -0.466 -4.908 1.707) 5.218 7.646 ( -0.756 -2.357 1.533) 2.912 8.395 ( 1.857 -0.257 0.835) 2.053 8.914 ( -9.952 5.588 -14.059) 18.108 9.823 ( 2.445 2.697 0.940) 3.760 10.165 ( 4.162 -3.329 7.068) 8.852 12.670 ( -1.448 0.020 -1.647) 2.193 14.442 ( -5.108 -6.025 8.383) 11.518 15.203 ( 7.698 2.104 -8.983) 12.016 17.170 ( 2.165 0.750 1.208) 2.590 17.400 ( -0.944 0.922 -0.122) 1.325 17.921 ( -1.072 2.074 -1.228) 2.638 18.061 ( -3.985 -0.599 -4.074) 5.730 18.731 ( 0.926 -2.043 1.111) 2.503 ======================= Grid point 249 (124/150) ======================= q-point: (-0.38 -0.38 0.38) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( 3.102 0.000 1.297) 3.362 2.070 ( -1.529 -0.000 6.803) 6.972 2.203 ( 10.241 0.000 7.442) 12.660 2.328 ( -2.689 -0.000 -2.883) 3.943 2.623 ( -22.491 -0.000 -11.805) 25.401 2.688 ( 3.618 0.000 5.689) 6.742 3.079 ( -1.845 -0.000 3.710) 4.144 3.109 ( 0.816 0.000 10.221) 10.254 3.297 ( 7.220 0.000 1.938) 7.476 3.326 ( -0.724 -0.000 3.070) 3.155 3.569 ( 2.698 0.000 1.380) 3.031 3.580 ( 1.513 0.000 6.482) 6.656 3.768 ( -11.198 -0.000 4.030) 11.901 3.779 ( 2.981 0.000 2.479) 3.878 4.003 ( -0.646 -0.000 -2.164) 2.258 4.117 ( 3.373 0.000 -13.158) 13.584 4.389 ( -2.282 -0.000 2.574) 3.440 4.458 ( 6.989 0.000 2.699) 7.492 4.473 ( -3.369 -0.000 -4.580) 5.686 4.709 ( 4.195 0.000 -4.330) 6.029 4.977 ( -3.013 -0.000 -4.834) 5.696 5.161 ( 7.418 0.000 -5.881) 9.466 5.253 ( 0.365 0.000 0.557) 0.666 5.587 ( 5.204 0.000 -1.603) 5.445 6.109 ( -3.634 -0.000 1.343) 3.874 6.855 ( 3.296 0.000 -0.722) 3.375 7.129 ( -0.165 -0.000 -0.670) 0.690 7.199 ( 2.004 0.000 -3.058) 3.656 7.555 ( -16.765 -0.000 -3.067) 17.043 7.581 ( -1.990 -0.000 4.230) 4.675 8.359 ( 8.222 0.000 5.235) 9.747 9.233 ( -9.860 -0.000 -15.546) 18.409 9.839 ( 14.342 0.000 11.892) 18.631 9.974 ( -6.827 -0.000 -0.633) 6.857 12.702 ( -0.971 -0.000 -2.102) 2.315 14.341 ( -4.064 -0.000 7.655) 8.667 15.124 ( 9.802 0.000 -5.242) 11.116 17.116 ( 4.991 0.000 0.029) 4.991 17.427 ( -2.390 -0.000 4.230) 4.859 18.074 ( -6.283 -0.000 -6.113) 8.766 18.102 ( -0.625 -0.000 -3.051) 3.114 18.689 ( -0.418 -0.000 0.995) 1.079 ======================= Grid point 250 (125/150) ======================= q-point: (-0.25 -0.38 0.38) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( -11.180 -0.230 1.246) 11.251 2.003 ( -11.123 5.246 -10.465) 16.148 2.246 ( -5.204 3.237 -2.773) 6.727 2.339 ( 1.877 -0.542 4.565) 4.965 2.450 ( 9.493 -1.196 3.403) 10.156 2.816 ( 12.635 2.084 1.058) 12.850 3.015 ( -4.335 2.634 4.053) 6.492 3.204 ( -0.628 -7.009 6.953) 9.893 3.313 ( -0.894 4.818 6.858) 8.428 3.388 ( -3.389 -4.292 4.713) 7.219 3.505 ( -8.155 -0.024 3.529) 8.885 3.585 ( 1.631 2.759 -2.769) 4.235 3.685 ( 1.639 -3.911 0.069) 4.241 3.817 ( 2.457 3.695 3.662) 5.753 4.051 ( 0.423 -5.140 1.432) 5.352 4.157 ( 4.134 -3.113 -13.083) 14.069 4.297 ( -4.819 4.449 -8.957) 11.102 4.381 ( -2.203 1.318 6.846) 7.312 4.590 ( 2.001 -0.837 1.846) 2.848 4.771 ( 5.672 -2.328 -4.660) 7.701 4.950 ( 2.313 1.332 -1.313) 2.974 5.184 ( -2.953 3.894 -2.291) 5.397 5.314 ( 5.196 -1.669 1.419) 5.638 5.684 ( 4.594 -2.486 -0.765) 5.279 6.075 ( -1.572 -0.725 1.619) 2.370 6.922 ( 4.908 1.086 -1.783) 5.333 7.146 ( 2.510 1.715 1.816) 3.541 7.229 ( -0.781 -2.614 -2.773) 3.890 7.287 ( -9.785 -1.107 -1.819) 10.014 7.570 ( -2.671 -2.735 3.960) 5.504 8.426 ( -0.540 1.434 -1.418) 2.088 9.034 ( -4.750 3.810 -11.499) 13.012 9.840 ( -6.678 -0.560 -0.114) 6.702 10.113 ( 10.339 -1.049 8.604) 13.492 12.671 ( -1.686 0.046 -1.622) 2.340 14.343 ( -0.655 -2.395 8.356) 8.717 15.255 ( 8.621 1.729 -9.353) 12.837 17.193 ( 3.395 0.900 1.258) 3.731 17.396 ( -2.555 -0.739 1.973) 3.312 17.935 ( -6.775 -0.217 -3.139) 7.470 18.060 ( -2.299 0.238 -4.596) 5.144 18.703 ( 0.594 -0.531 3.002) 3.106 ======================= Grid point 251 (126/150) ======================= q-point: (-0.12 -0.38 0.38) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( -9.573 -7.799 4.908) 13.287 1.618 ( -20.090 -3.148 -9.534) 22.459 2.206 ( 3.991 9.032 -3.869) 10.606 2.338 ( -3.519 0.798 0.121) 3.611 2.624 ( 8.581 0.423 3.929) 9.447 2.901 ( -2.820 1.031 -1.798) 3.500 3.041 ( 7.033 2.018 1.986) 7.582 3.192 ( -7.248 -4.158 1.753) 8.537 3.234 ( -11.253 -1.424 6.869) 13.260 3.284 ( -1.276 1.469 3.121) 3.678 3.547 ( 4.721 5.146 7.845) 10.503 3.664 ( 5.700 -4.944 -1.487) 7.690 3.750 ( 1.521 -2.765 3.175) 4.477 3.819 ( -0.050 2.637 3.799) 4.625 4.086 ( 1.089 1.024 -7.338) 7.489 4.135 ( -2.397 -3.165 -4.594) 6.072 4.246 ( 1.973 -3.385 -5.876) 7.062 4.362 ( -3.507 -2.863 3.891) 5.969 4.608 ( 3.628 4.235 1.403) 5.751 4.905 ( 6.153 -4.181 -5.067) 9.001 4.999 ( -10.922 6.117 1.937) 12.668 5.019 ( 6.865 2.192 -1.119) 7.293 5.374 ( -0.227 -0.649 -1.925) 2.044 5.793 ( 3.705 -3.607 -0.007) 5.171 6.085 ( 1.443 -0.932 0.551) 1.804 6.962 ( 3.654 4.251 -3.445) 6.580 7.109 ( -3.929 0.645 -0.032) 3.982 7.170 ( 1.854 2.370 -0.546) 3.058 7.369 ( 5.364 -4.926 3.797) 8.213 7.590 ( -2.276 -5.797 5.001) 7.988 8.337 ( -5.030 0.621 -5.662) 7.599 8.865 ( -2.596 9.658 -6.334) 11.838 9.770 ( -4.919 -5.420 -0.597) 7.344 10.283 ( 5.914 1.145 5.373) 8.072 12.636 ( -1.662 -0.313 -0.924) 1.927 14.426 ( 3.831 -0.659 9.563) 10.323 15.295 ( 3.284 3.490 -11.483) 12.443 17.201 ( -1.144 2.274 2.253) 3.400 17.377 ( -1.692 -0.959 -0.535) 2.017 17.857 ( -3.035 -4.818 -1.164) 5.812 18.000 ( -2.101 0.294 -3.327) 3.946 18.734 ( 0.531 -0.874 2.606) 2.799 ======================= Grid point 258 (127/150) ======================= q-point: (-0.25 -0.25 0.38) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( -15.150 -0.000 5.324) 16.058 1.577 ( -24.359 -0.000 -8.318) 25.740 2.320 ( -4.735 -0.000 3.146) 5.685 2.379 ( 6.642 0.000 -6.599) 9.362 2.599 ( 8.607 0.000 1.196) 8.690 2.930 ( -8.991 -0.000 1.763) 9.162 3.101 ( -5.932 -0.000 2.486) 6.432 3.104 ( 11.949 0.000 0.581) 11.963 3.171 ( -12.798 -0.000 5.960) 14.118 3.343 ( -0.179 -0.000 3.386) 3.391 3.552 ( 6.736 0.000 3.282) 7.493 3.680 ( -0.502 -0.000 1.230) 1.328 3.688 ( 6.344 0.000 5.738) 8.554 3.867 ( -1.193 -0.000 0.441) 1.272 4.004 ( -3.055 -0.000 8.163) 8.716 4.165 ( -4.983 -0.000 -12.837) 13.771 4.210 ( 10.070 0.000 -15.747) 18.692 4.327 ( -6.659 -0.000 7.908) 10.338 4.676 ( 5.520 0.000 3.683) 6.636 4.844 ( 7.268 0.000 -6.731) 9.906 5.041 ( 6.525 0.000 -1.006) 6.603 5.075 ( -12.081 -0.000 1.487) 12.172 5.363 ( 0.262 0.000 -0.582) 0.638 5.744 ( 4.339 0.000 -0.001) 4.339 6.069 ( 0.578 0.000 -0.132) 0.593 7.035 ( 6.724 0.000 -0.304) 6.730 7.127 ( -4.075 -0.000 -4.564) 6.118 7.191 ( -0.041 -0.000 -3.157) 3.158 7.298 ( 9.014 0.000 7.060) 11.450 7.501 ( -4.951 -0.000 4.832) 6.918 8.351 ( -4.933 -0.000 -4.935) 6.978 9.005 ( 0.080 0.000 -6.301) 6.301 9.682 ( -8.571 -0.000 -0.285) 8.576 10.299 ( 7.076 0.000 5.296) 8.838 12.633 ( -2.002 -0.000 -0.893) 2.192 14.419 ( 6.443 0.000 10.357) 12.198 15.344 ( 4.658 0.000 -13.172) 13.971 17.250 ( 1.125 0.000 1.942) 2.244 17.341 ( -3.193 -0.000 0.891) 3.315 17.792 ( -7.487 -0.000 -1.458) 7.628 18.003 ( -2.288 -0.000 -3.616) 4.279 18.726 ( 0.677 0.000 3.705) 3.766 ======================= Grid point 259 (128/150) ======================= q-point: (-0.12 -0.25 0.38) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( -12.592 -8.227 8.241) 17.151 1.235 ( -12.750 -4.722 7.202) 15.386 2.222 ( -5.738 0.689 -1.180) 5.899 2.345 ( -0.675 6.380 -7.667) 9.997 2.707 ( -6.194 -4.498 -1.369) 7.776 2.795 ( 0.466 2.008 4.893) 5.309 2.981 ( -10.926 -2.916 2.318) 11.544 3.066 ( -7.224 2.016 -5.075) 9.056 3.088 ( -3.468 -2.675 5.030) 6.670 3.445 ( 5.405 6.073 3.357) 8.796 3.534 ( -11.189 0.016 4.618) 12.105 3.685 ( 3.768 -3.129 2.756) 5.620 3.798 ( -2.334 -4.081 8.111) 9.375 3.887 ( 7.769 1.941 1.159) 8.091 4.037 ( -0.607 -3.237 -0.892) 3.412 4.170 ( 12.387 0.726 -8.623) 15.110 4.232 ( -6.654 -1.899 4.177) 8.083 4.353 ( 10.846 1.698 -10.384) 15.111 4.749 ( -3.704 5.635 3.843) 7.762 4.800 ( -9.142 1.402 2.538) 9.591 4.982 ( 9.212 -1.796 -7.265) 11.869 5.151 ( 6.708 0.343 -2.475) 7.158 5.312 ( -5.177 -0.129 -2.847) 5.909 5.843 ( 5.626 -1.627 0.826) 5.914 6.088 ( 0.921 -2.193 -2.578) 3.508 7.059 ( 0.529 6.071 -7.176) 9.414 7.117 ( 3.613 1.115 4.815) 6.122 7.209 ( 1.575 -0.827 -1.212) 2.152 7.450 ( -2.739 -4.810 4.033) 6.849 7.507 ( 6.867 -2.243 3.940) 8.229 8.306 ( 2.890 0.959 3.744) 4.826 8.916 ( -2.551 9.137 -5.088) 10.765 9.586 ( -6.267 -7.215 -1.301) 9.645 10.381 ( 1.343 1.224 1.818) 2.570 12.607 ( -0.650 -0.389 0.230) 0.792 14.617 ( 11.118 1.883 12.992) 17.203 15.306 ( -0.562 3.647 -14.931) 15.380 17.204 ( -3.733 4.348 2.134) 6.115 17.316 ( -2.620 -2.355 -0.608) 3.575 17.712 ( -4.653 -7.988 -1.251) 9.329 17.972 ( 0.147 0.016 0.088) 0.172 18.745 ( -0.159 0.017 2.737) 2.741 ======================= Grid point 267 (129/150) ======================= q-point: (-0.12 -0.12 0.38) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( -5.293 -0.000 17.374) 18.163 1.162 ( 4.381 0.000 20.680) 21.139 2.115 ( -5.625 -0.000 -2.354) 6.098 2.347 ( 0.258 0.000 -6.138) 6.144 2.478 ( -11.341 -0.000 -2.535) 11.621 2.731 ( -19.337 -0.000 15.179) 24.582 2.844 ( -11.136 -0.000 -11.781) 16.211 2.907 ( 3.118 0.000 2.606) 4.064 3.082 ( -3.318 -0.000 8.297) 8.936 3.255 ( -7.457 -0.000 -1.590) 7.625 3.654 ( 0.181 0.000 1.076) 1.091 3.688 ( -4.222 -0.000 2.606) 4.961 3.720 ( 1.626 0.000 6.253) 6.461 3.984 ( -5.032 -0.000 -3.036) 5.877 4.070 ( -4.230 -0.000 -5.765) 7.151 4.093 ( 10.597 0.000 5.996) 12.175 4.417 ( 1.231 0.000 0.245) 1.255 4.510 ( -0.737 -0.000 -1.109) 1.332 4.515 ( 8.587 0.000 -7.434) 11.358 4.901 ( 3.772 0.000 1.551) 4.078 5.128 ( 7.584 0.000 -9.159) 11.891 5.181 ( -4.370 -0.000 -4.684) 6.406 5.252 ( 6.255 0.000 -2.882) 6.887 5.959 ( 7.254 0.000 1.489) 7.405 6.063 ( 0.496 0.000 -4.719) 4.745 7.089 ( -1.066 -0.000 -8.827) 8.892 7.145 ( -5.824 -0.000 1.558) 6.029 7.183 ( 0.372 0.000 4.145) 4.161 7.378 ( -0.292 -0.000 6.685) 6.691 7.703 ( 12.635 0.000 2.416) 12.864 8.469 ( 8.406 0.000 10.577) 13.510 8.928 ( 0.813 0.000 -2.735) 2.853 9.425 ( -5.288 -0.000 -2.089) 5.685 10.356 ( -5.053 -0.000 -1.420) 5.249 12.626 ( 3.149 0.000 1.397) 3.445 14.843 ( 2.991 0.000 10.531) 10.947 15.309 ( 7.924 0.000 -11.724) 14.151 17.146 ( -7.911 -0.000 0.323) 7.918 17.259 ( -1.089 -0.000 0.067) 1.091 17.554 ( -5.634 -0.000 -0.210) 5.638 18.026 ( 5.497 0.000 4.216) 6.928 18.737 ( -1.978 -0.000 1.511) 2.489 ======================= Grid point 268 (130/150) ======================= q-point: ( 0.00 0.00 -0.50) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( -0.000 -0.000 0.000) 0.000 1.872 ( 0.000 0.000 0.000) 0.000 1.930 ( 0.000 0.000 0.000) 0.000 1.983 ( -0.000 -0.000 0.000) 0.000 2.205 ( -0.000 -0.000 0.000) 0.000 2.234 ( -0.000 -0.000 0.000) 0.000 2.932 ( -0.000 -0.000 0.000) 0.000 3.011 ( 0.000 0.000 -0.000) 0.000 3.134 ( -0.000 -0.000 0.000) 0.000 3.181 ( 0.000 0.000 -0.000) 0.000 3.367 ( -0.000 -0.000 0.000) 0.000 3.519 ( -0.000 -0.000 0.000) 0.000 3.660 ( -0.000 -0.000 0.000) 0.000 3.860 ( -0.000 -0.000 0.000) 0.000 4.181 ( -0.000 -0.000 0.000) 0.000 4.246 ( 0.000 0.000 0.000) 0.000 4.563 ( -0.000 -0.000 0.000) 0.000 4.575 ( 0.000 0.000 0.000) 0.000 4.627 ( -0.000 -0.000 0.000) 0.000 4.746 ( -0.000 -0.000 0.000) 0.000 4.811 ( -0.000 -0.000 0.000) 0.000 5.151 ( -0.000 -0.000 0.000) 0.000 5.394 ( 0.000 0.000 0.000) 0.000 5.887 ( -0.000 -0.000 0.000) 0.000 6.282 ( 0.000 0.000 0.000) 0.000 6.956 ( -0.000 0.000 0.000) 0.000 6.956 ( -0.000 0.000 0.000) 0.000 7.347 ( -0.000 -0.000 0.000) 0.000 7.575 ( -0.000 -0.000 0.000) 0.000 8.216 ( -0.000 -0.000 -0.000) 0.000 8.257 ( 0.000 0.000 0.000) 0.000 9.268 ( -0.000 -0.000 0.000) 0.000 9.491 ( 0.000 0.000 0.000) 0.000 9.973 ( -0.000 -0.000 0.000) 0.000 12.789 ( -0.000 -0.000 0.000) 0.000 14.681 ( -0.000 -0.000 0.000) 0.000 15.708 ( 0.000 0.000 0.000) 0.000 16.922 ( -0.000 -0.000 0.000) 0.000 17.279 ( -0.000 -0.000 0.000) 0.000 17.413 ( 0.000 0.000 0.000) 0.000 18.412 ( 0.000 0.000 0.000) 0.000 18.584 ( -0.000 -0.000 0.000) 0.000 ======================= Grid point 270 (131/150) ======================= q-point: ( 0.12 0.00 -0.50) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( -7.458 6.023 -14.244) 17.169 1.752 ( -9.077 -9.354 -0.788) 13.058 1.957 ( 3.460 0.751 3.010) 4.647 2.153 ( 9.907 1.152 12.314) 15.847 2.290 ( 4.548 -1.045 -0.060) 4.667 2.377 ( 7.741 -8.385 -0.669) 11.431 2.956 ( 1.360 1.405 -17.330) 17.440 2.977 ( 5.698 -0.064 0.921) 5.772 3.101 ( -4.197 -1.892 -1.809) 4.946 3.331 ( -1.985 -4.098 6.952) 8.310 3.394 ( 12.219 -0.796 -1.204) 12.304 3.599 ( 4.054 -8.359 2.978) 9.756 3.747 ( 6.498 -3.135 8.177) 10.905 3.829 ( -2.525 2.428 1.374) 3.763 4.045 ( -5.818 2.609 -4.579) 7.850 4.340 ( 4.740 5.805 -0.638) 7.522 4.472 ( -5.562 -0.206 -4.670) 7.266 4.504 ( -3.839 5.456 0.791) 6.718 4.600 ( -4.250 -2.772 2.505) 5.659 4.804 ( 6.580 4.491 2.631) 8.389 4.872 ( 3.618 -0.594 -0.491) 3.699 5.107 ( -1.903 2.745 3.109) 4.563 5.339 ( -5.782 -0.344 -0.561) 5.820 5.939 ( 0.979 -5.353 3.378) 6.405 6.165 ( -7.466 4.245 -1.834) 8.782 6.918 ( 1.243 4.926 0.774) 5.139 7.074 ( 5.531 -4.621 0.644) 7.236 7.352 ( -1.750 -4.583 -4.696) 6.791 7.539 ( -2.551 0.538 -2.794) 3.822 7.964 ( -14.455 3.681 -0.555) 14.927 8.437 ( 10.002 3.020 5.299) 11.715 9.197 ( -9.493 7.798 -9.002) 15.230 9.394 ( -2.395 -8.341 -0.692) 8.706 10.123 ( 9.623 -1.155 5.113) 10.958 12.741 ( -3.744 0.699 -1.749) 4.191 14.772 ( 8.407 -1.068 0.788) 8.512 15.484 ( -15.878 10.193 -0.454) 18.874 16.997 ( 7.409 0.898 -0.756) 7.502 17.278 ( -0.951 -2.369 -0.583) 2.619 17.504 ( 4.328 -7.307 0.881) 8.538 18.282 ( -8.973 0.345 -4.082) 9.864 18.677 ( 6.251 0.252 -0.067) 6.256 ======================= Grid point 271 (132/150) ======================= q-point: ( 0.25 0.00 -0.50) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( 2.641 0.495 -9.524) 9.896 1.741 ( -5.915 -12.594 -11.192) 17.856 2.047 ( 5.014 -0.656 2.841) 5.800 2.231 ( -3.640 1.289 -1.795) 4.258 2.415 ( 12.538 3.027 9.674) 16.123 2.664 ( 9.961 -10.031 5.298) 15.096 2.896 ( -0.144 2.434 -3.217) 4.037 3.038 ( -0.312 -3.270 -0.606) 3.341 3.161 ( 5.517 -1.046 2.365) 6.093 3.349 ( 4.479 -3.817 -11.155) 12.612 3.591 ( 4.248 0.133 7.781) 8.866 3.703 ( -4.613 5.324 -2.073) 7.344 3.856 ( 5.545 -14.185 1.744) 15.330 3.923 ( -4.438 -1.857 5.281) 7.144 4.023 ( 14.014 -1.754 4.391) 14.790 4.191 ( -7.560 3.662 -5.779) 10.196 4.350 ( -5.124 7.026 0.309) 8.702 4.439 ( -10.845 3.339 -7.140) 13.407 4.529 ( 9.782 3.257 -1.305) 10.392 4.848 ( -3.387 3.064 -0.877) 4.651 4.888 ( 1.979 1.381 11.145) 11.403 5.113 ( 2.465 2.479 0.251) 3.505 5.245 ( -2.840 -1.830 -1.723) 3.792 5.979 ( -4.210 3.926 -0.058) 5.757 6.045 ( -1.610 -6.540 3.416) 7.552 6.887 ( 1.013 4.473 0.926) 4.679 7.191 ( 2.576 -0.470 1.373) 2.957 7.321 ( -6.432 -3.495 -5.398) 9.096 7.505 ( 0.524 -2.814 -1.991) 3.486 7.680 ( -11.100 4.072 0.426) 11.831 8.564 ( 7.130 4.728 6.021) 10.462 8.826 ( -15.478 5.604 -15.974) 22.938 9.543 ( 5.155 -8.873 2.066) 10.468 10.280 ( 5.596 1.185 4.415) 7.226 12.668 ( -2.484 0.140 -2.332) 3.410 14.951 ( 9.339 -0.509 0.263) 9.357 15.041 ( -17.720 11.401 -0.701) 21.082 17.106 ( 6.698 1.991 -1.059) 7.067 17.301 ( 0.289 -3.050 -0.704) 3.143 17.691 ( 4.575 -9.203 2.338) 10.540 18.120 ( -7.193 -0.198 -4.171) 8.317 18.751 ( 3.380 1.166 -1.058) 3.729 ======================= Grid point 272 (133/150) ======================= q-point: ( 0.38 0.00 -0.50) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( 9.784 -6.081 -4.676) 12.433 1.704 ( -5.231 -6.406 -11.489) 14.156 2.113 ( -2.528 2.129 -0.547) 3.350 2.160 ( 1.529 -1.505 3.077) 3.751 2.656 ( 14.768 5.117 7.347) 17.270 2.812 ( -0.357 -0.265 2.959) 2.992 2.978 ( 3.551 -5.853 -0.135) 6.847 3.133 ( 4.641 -9.070 -0.496) 10.201 3.221 ( 0.453 -1.573 5.285) 5.533 3.377 ( -3.509 5.052 -8.285) 10.319 3.575 ( 7.851 1.356 -0.263) 7.972 3.739 ( 2.567 -1.688 4.050) 5.083 3.899 ( -6.202 -0.102 8.291) 10.355 3.926 ( -8.986 4.489 -5.576) 11.489 3.967 ( -6.078 -2.698 -0.793) 6.697 4.113 ( -8.706 4.675 -5.641) 11.378 4.314 ( 7.399 -3.076 1.356) 8.127 4.368 ( 6.340 -4.873 -3.057) 8.561 4.653 ( 8.897 8.284 3.167) 12.563 4.740 ( -3.487 -0.057 -5.001) 6.096 4.930 ( -0.213 -2.306 5.506) 5.973 5.055 ( -3.357 3.496 1.808) 5.173 5.300 ( 4.242 -1.081 -1.507) 4.629 5.884 ( -2.093 1.651 -0.532) 2.719 6.096 ( -1.360 -3.290 3.425) 4.940 6.860 ( 0.325 2.930 0.442) 2.981 7.164 ( -5.628 1.842 -2.191) 6.315 7.199 ( -3.831 -0.487 0.189) 3.867 7.517 ( -3.084 2.182 1.037) 3.917 7.627 ( 4.637 -6.069 2.133) 7.930 8.452 ( -11.576 6.574 -13.355) 18.856 8.634 ( 2.674 1.376 2.425) 3.863 9.739 ( 5.049 -6.849 1.254) 8.601 10.327 ( 1.260 2.552 2.624) 3.871 12.639 ( -0.415 -0.315 -1.466) 1.556 14.671 ( -10.655 6.954 -1.770) 12.846 15.089 ( 5.227 0.056 1.186) 5.360 17.174 ( 3.422 1.101 -0.801) 3.683 17.342 ( 1.131 -1.776 -0.415) 2.146 17.852 ( 2.481 -5.930 2.186) 6.789 18.012 ( -3.929 -0.238 -2.514) 4.671 18.772 ( 1.213 1.092 -0.933) 1.880 ======================= Grid point 273 (134/150) ======================= q-point: ( 0.50 0.00 -0.50) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( -0.000 0.000 0.000) 0.000 1.671 ( -0.000 0.000 0.000) 0.000 2.052 ( -0.000 -0.000 0.000) 0.000 2.201 ( -0.000 0.000 0.000) 0.000 2.803 ( 0.000 0.000 0.000) 0.000 2.809 ( -0.000 -0.000 -0.000) 0.000 3.014 ( -0.000 0.000 0.000) 0.000 3.202 ( -0.000 0.000 0.000) 0.000 3.308 ( 0.000 0.000 0.000) 0.000 3.335 ( -0.000 -0.000 0.000) 0.000 3.651 ( -0.000 0.000 0.000) 0.000 3.696 ( -0.000 0.000 -0.000) 0.000 3.758 ( 0.000 0.000 0.000) 0.000 3.896 ( 0.000 0.000 -0.000) 0.000 3.909 ( -0.000 -0.000 0.000) 0.000 4.004 ( 0.000 0.000 0.000) 0.000 4.386 ( -0.000 0.000 0.000) 0.000 4.489 ( -0.000 -0.000 0.000) 0.000 4.654 ( -0.000 0.000 0.000) 0.000 4.733 ( -0.000 0.000 0.000) 0.000 4.977 ( -0.000 0.000 0.000) 0.000 4.980 ( 0.000 -0.000 0.000) 0.000 5.345 ( -0.000 0.000 0.000) 0.000 5.858 ( -0.000 0.000 0.000) 0.000 6.105 ( -0.000 0.000 0.000) 0.000 6.844 ( -0.000 -0.000 0.000) 0.000 7.085 ( -0.000 0.000 0.000) 0.000 7.170 ( -0.000 0.000 0.000) 0.000 7.482 ( -0.000 0.000 0.000) 0.000 7.743 ( -0.000 0.000 0.000) 0.000 8.253 ( -0.000 0.000 0.000) 0.000 8.655 ( -0.000 0.000 0.000) 0.000 9.834 ( -0.000 0.000 0.000) 0.000 10.320 ( -0.000 0.000 0.000) 0.000 12.636 ( -0.000 0.000 0.000) 0.000 14.531 ( -0.000 0.000 0.000) 0.000 15.137 ( -0.000 0.000 0.000) 0.000 17.196 ( -0.000 0.000 0.000) 0.000 17.363 ( -0.000 0.000 0.000) 0.000 17.913 ( -0.000 0.000 0.000) 0.000 17.973 ( -0.000 0.000 0.000) 0.000 18.773 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 279 (135/150) ======================= q-point: ( 0.12 0.12 -0.50) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( 1.371 0.000 -18.658) 18.708 1.501 ( -4.618 -0.000 -9.354) 10.432 2.050 ( 5.882 0.000 3.832) 7.020 2.282 ( -3.658 -0.000 -1.467) 3.941 2.419 ( 11.864 0.000 5.204) 12.955 2.548 ( 14.600 0.000 13.387) 19.808 2.925 ( 1.913 0.000 -5.355) 5.686 2.992 ( -5.766 -0.000 -3.463) 6.725 3.174 ( 2.992 0.000 7.077) 7.683 3.312 ( 13.851 0.000 -14.036) 19.720 3.598 ( 0.923 0.000 7.001) 7.061 3.641 ( 10.130 0.000 5.358) 11.460 3.781 ( -5.517 -0.000 0.275) 5.524 3.877 ( -2.225 -0.000 6.318) 6.698 4.014 ( 9.997 0.000 -0.188) 9.999 4.244 ( -10.817 -0.000 -6.810) 12.782 4.451 ( -7.222 -0.000 -3.435) 7.997 4.464 ( -7.229 -0.000 -4.632) 8.586 4.553 ( 11.344 0.000 -0.311) 11.348 4.905 ( -0.322 -0.000 1.821) 1.849 4.907 ( -6.231 -0.000 10.967) 12.613 5.142 ( 7.877 0.000 -1.691) 8.056 5.215 ( -6.988 -0.000 0.430) 7.001 5.951 ( 1.949 0.000 4.092) 4.532 6.025 ( -8.401 -0.000 -2.949) 8.904 6.967 ( 0.199 0.000 3.336) 3.342 7.165 ( 5.444 0.000 -0.111) 5.445 7.264 ( -3.514 -0.000 -4.451) 5.671 7.481 ( -1.906 -0.000 -3.421) 3.917 7.725 ( -13.897 -0.000 0.355) 13.901 8.598 ( 3.344 0.000 0.559) 3.390 8.962 ( -13.601 -0.000 -8.322) 15.945 9.401 ( 6.871 0.000 0.136) 6.873 10.291 ( 6.680 0.000 4.840) 8.249 12.670 ( -2.963 -0.000 -2.609) 3.948 14.947 ( 10.152 0.000 1.356) 10.242 15.185 ( -21.858 -0.000 -0.702) 21.869 17.149 ( 7.683 0.000 -0.083) 7.684 17.256 ( 0.269 0.000 0.391) 0.474 17.560 ( 6.645 0.000 -0.776) 6.690 18.117 ( -7.287 -0.000 -4.857) 8.757 18.767 ( 3.769 0.000 -1.646) 4.113 ======================= Grid point 280 (136/150) ======================= q-point: ( 0.25 0.12 -0.50) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( 9.420 1.380 -12.650) 15.832 1.511 ( 1.791 -7.988 -16.838) 18.722 2.172 ( 6.295 1.880 3.383) 7.390 2.215 ( -0.495 3.897 5.039) 6.389 2.655 ( 8.235 -4.324 3.643) 9.990 2.839 ( 9.724 2.302 10.637) 14.595 2.887 ( -0.334 -1.338 -0.966) 1.684 3.005 ( 5.721 -2.360 -0.522) 6.211 3.183 ( 1.213 -1.110 0.695) 1.785 3.524 ( 2.392 6.406 -6.061) 9.138 3.626 ( -0.700 3.936 3.537) 5.338 3.664 ( 0.667 -5.581 -0.046) 5.621 3.794 ( -1.152 -6.980 0.649) 7.104 3.825 ( -2.004 -2.892 11.160) 11.701 4.043 ( -7.840 2.031 -7.157) 10.808 4.220 ( -4.772 3.523 -4.823) 7.645 4.272 ( 2.677 -0.737 -1.805) 3.311 4.336 ( 0.166 0.081 -8.985) 8.987 4.740 ( 0.144 0.658 9.414) 9.438 4.804 ( 2.437 4.042 -0.663) 4.766 4.878 ( -1.784 -2.480 2.947) 4.245 5.107 ( -4.933 1.107 0.989) 5.151 5.290 ( 6.769 0.189 -0.994) 6.844 5.890 ( -5.256 -0.460 -3.403) 6.278 6.018 ( 1.470 -2.528 4.050) 4.996 6.953 ( -0.469 4.055 2.951) 5.037 7.170 ( -6.356 -0.278 -1.187) 6.472 7.202 ( -1.469 -0.722 -0.207) 1.650 7.500 ( 2.435 -3.100 -0.593) 3.987 7.536 ( -6.084 -0.210 0.042) 6.087 8.488 ( -10.755 -0.474 -12.817) 16.739 8.815 ( 1.735 8.465 5.087) 10.028 9.575 ( 7.978 -5.964 -0.202) 9.963 10.368 ( 0.972 0.988 2.872) 3.189 12.634 ( -0.284 -0.113 -2.035) 2.058 14.799 ( -16.833 3.449 -3.425) 17.520 15.100 ( 5.560 0.559 3.901) 6.815 17.224 ( 3.157 2.985 0.053) 4.345 17.297 ( 1.989 -2.236 1.194) 3.222 17.710 ( 6.772 -4.841 -1.118) 8.399 18.006 ( -3.607 -0.137 -3.036) 4.717 18.797 ( 1.341 0.789 -2.597) 3.027 ======================= Grid point 281 (137/150) ======================= q-point: ( 0.38 0.12 -0.50) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( 10.919 -1.625 -4.280) 11.840 1.593 ( 5.872 -4.260 -9.260) 11.763 2.141 ( -0.824 6.880 2.951) 7.532 2.286 ( 6.344 4.656 4.457) 9.044 2.671 ( -9.984 -5.487 -0.875) 11.426 2.916 ( 5.055 2.927 -1.797) 6.112 3.021 ( 4.138 2.250 4.427) 6.464 3.194 ( 7.310 -5.300 3.236) 9.592 3.283 ( 4.659 2.011 0.536) 5.103 3.314 ( 0.200 0.599 -2.721) 2.793 3.617 ( -10.150 -5.281 1.209) 11.506 3.696 ( -3.136 -1.942 13.531) 14.025 3.750 ( -4.947 1.613 -7.619) 9.226 3.886 ( -2.507 0.275 -2.399) 3.481 3.968 ( 5.229 2.625 1.993) 6.181 3.992 ( -2.770 1.189 -3.677) 4.754 4.357 ( 2.410 -7.710 -8.411) 11.662 4.415 ( 2.964 0.482 -1.279) 3.264 4.653 ( -2.889 2.027 -2.459) 4.302 4.781 ( -3.791 -0.723 6.433) 7.502 4.990 ( 3.806 3.202 2.296) 5.478 5.019 ( -1.387 1.487 0.008) 2.033 5.348 ( 0.822 0.424 0.300) 0.972 5.826 ( -2.991 -2.414 -2.761) 4.732 6.077 ( 1.338 -1.931 1.379) 2.724 6.890 ( -1.870 3.722 1.374) 4.386 7.098 ( -0.045 0.773 0.731) 1.065 7.175 ( -1.192 -0.158 0.536) 1.316 7.444 ( -3.915 -2.331 -3.150) 5.539 7.635 ( 2.177 -6.635 2.038) 7.275 8.299 ( -3.308 2.194 -4.359) 5.895 8.772 ( 1.597 8.545 4.156) 9.635 9.769 ( 6.160 -4.836 -0.573) 7.853 10.335 ( -3.320 1.036 -0.034) 3.478 12.636 ( 0.717 0.001 -0.655) 0.971 14.544 ( -7.329 0.881 -1.997) 7.647 15.152 ( 0.118 1.086 2.493) 2.722 17.221 ( -0.132 2.087 0.213) 2.102 17.351 ( 1.145 -1.108 1.837) 2.432 17.864 ( 5.361 -3.614 -1.856) 6.727 17.969 ( -0.254 -0.117 -0.157) 0.321 18.787 ( 0.044 0.960 -2.730) 2.894 ======================= Grid point 282 (138/150) ======================= q-point: (-0.50 0.12 0.50) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( -1.340 7.809 -1.770) 8.119 1.750 ( 9.526 0.257 2.700) 9.904 2.114 ( 5.206 2.504 2.551) 6.315 2.306 ( 2.280 8.814 3.425) 9.727 2.523 ( -12.710 -5.670 -5.046) 14.804 2.830 ( -5.253 1.856 -4.161) 6.953 3.057 ( 1.265 -0.026 -0.167) 1.276 3.242 ( -1.810 2.677 0.700) 3.306 3.318 ( 5.690 3.860 3.923) 7.916 3.396 ( -4.824 6.372 -2.165) 8.280 3.541 ( -3.836 -1.145 2.940) 4.967 3.685 ( 9.630 -10.825 4.033) 15.039 3.773 ( -4.141 0.058 -3.289) 5.289 3.866 ( -0.389 -3.277 -8.847) 9.443 3.947 ( 6.006 -5.404 10.657) 13.373 4.087 ( 4.066 3.221 -0.484) 5.210 4.384 ( -2.063 2.468 -1.670) 3.624 4.419 ( -5.458 -9.613 -3.977) 11.748 4.569 ( -1.872 7.889 -4.870) 9.458 4.757 ( -2.545 0.015 8.630) 8.997 4.948 ( -0.833 -1.772 -2.872) 3.476 5.014 ( -0.064 2.698 -0.055) 2.699 5.322 ( -3.234 0.676 0.902) 3.425 5.808 ( -2.435 -4.664 -2.357) 5.765 6.133 ( 3.907 -0.198 -2.045) 4.414 6.840 ( -1.203 1.003 0.541) 1.657 7.129 ( 1.640 -0.436 1.082) 2.013 7.214 ( 6.955 0.274 1.395) 7.099 7.429 ( -1.177 -5.327 -2.889) 6.173 7.678 ( -3.374 -2.188 -0.844) 4.109 8.335 ( 6.057 -1.110 6.174) 8.720 8.722 ( 1.902 6.771 4.975) 8.615 9.845 ( 0.256 2.339 -1.537) 2.811 10.266 ( -3.772 -2.418 -2.915) 5.345 12.647 ( 0.708 0.365 0.743) 1.090 14.526 ( 2.841 -5.383 -0.031) 6.087 15.104 ( -4.511 1.334 0.936) 4.797 17.173 ( -3.712 0.806 0.853) 3.893 17.375 ( 0.740 1.066 2.217) 2.569 17.937 ( 1.692 1.733 -2.287) 3.331 18.005 ( 4.041 -0.981 0.940) 4.263 18.763 ( -0.897 0.365 -1.985) 2.209 ======================= Grid point 283 (139/150) ======================= q-point: (-0.38 0.12 0.50) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( -2.632 11.757 0.638) 12.065 1.880 ( 3.897 -0.039 0.758) 3.970 2.154 ( -6.579 6.369 7.785) 12.019 2.265 ( 5.161 5.129 -3.550) 8.096 2.370 ( -0.822 0.597 -2.063) 2.300 2.793 ( 0.752 -2.786 -0.625) 2.953 2.947 ( -8.055 11.004 -1.945) 13.776 3.080 ( -5.550 0.544 -4.812) 7.366 3.281 ( -2.082 8.085 6.134) 10.360 3.457 ( 5.678 3.240 8.999) 11.123 3.537 ( 3.799 -2.945 0.820) 4.876 3.623 ( -8.494 -0.847 -6.195) 10.547 3.873 ( -1.549 -6.730 -7.791) 10.411 3.986 ( 2.967 -7.292 6.551) 10.242 4.081 ( 0.812 2.528 -3.885) 4.705 4.206 ( 2.759 -1.342 3.859) 4.930 4.263 ( -2.490 3.746 -2.255) 5.031 4.380 ( 0.108 1.849 -1.994) 2.721 4.400 ( -3.424 -3.660 2.143) 5.451 4.785 ( -0.247 -2.818 5.221) 5.938 4.907 ( -2.500 3.270 -9.532) 10.383 5.026 ( -0.849 -4.974 0.571) 5.078 5.268 ( -0.845 -0.148 2.243) 2.402 5.840 ( -0.720 -7.748 -1.765) 7.980 6.180 ( 4.464 4.000 -4.479) 7.482 6.824 ( -1.023 -1.058 0.402) 1.526 7.165 ( 0.100 -2.317 -0.041) 2.320 7.388 ( 10.478 2.727 4.868) 11.871 7.512 ( 4.486 -7.939 -2.634) 9.492 7.610 ( -3.030 2.141 2.693) 4.584 8.421 ( -3.425 -4.562 -4.291) 7.138 8.817 ( 11.947 2.909 16.173) 20.316 9.728 ( -4.571 7.329 -3.966) 9.505 10.230 ( -3.815 -3.339 -3.846) 6.364 12.666 ( 1.575 0.051 1.684) 2.306 14.749 ( 9.526 -12.919 2.046) 16.181 14.981 ( -7.012 2.009 -0.841) 7.343 17.086 ( -5.943 0.020 1.310) 6.086 17.374 ( 0.939 3.118 2.301) 3.987 17.881 ( -1.289 6.711 -3.228) 7.558 18.116 ( 6.500 -0.825 1.900) 6.822 18.731 ( -2.284 -0.303 -0.828) 2.448 ======================= Grid point 284 (140/150) ======================= q-point: (-0.25 0.12 0.50) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( 7.965 3.106 5.634) 10.239 1.869 ( -11.908 -5.657 -3.502) 13.640 1.969 ( 0.240 8.693 -0.131) 8.698 2.228 ( 5.037 7.171 -7.985) 11.856 2.386 ( -0.379 6.838 2.789) 7.394 2.626 ( -8.774 12.782 0.496) 15.512 2.912 ( 3.576 -2.418 11.537) 12.318 2.991 ( -1.857 1.893 -1.991) 3.316 3.192 ( 1.165 6.004 1.227) 6.238 3.434 ( -8.566 1.916 0.079) 8.778 3.482 ( 2.698 8.154 0.114) 8.590 3.711 ( 3.166 -6.842 0.121) 7.540 3.806 ( -8.593 1.451 -3.547) 9.409 3.887 ( -7.499 9.536 -1.903) 12.280 3.988 ( 3.235 1.200 -3.076) 4.623 4.204 ( -1.678 -4.814 1.708) 5.376 4.330 ( 1.334 -8.090 -0.383) 8.209 4.415 ( 2.692 -5.115 2.894) 6.464 4.608 ( 8.728 -3.022 2.015) 9.453 4.745 ( -5.767 0.465 -7.475) 9.453 4.836 ( -0.571 -2.634 0.260) 2.708 5.027 ( -3.742 -4.016 0.189) 5.492 5.335 ( 4.416 -1.386 1.624) 4.905 5.941 ( 1.006 -9.566 -1.098) 9.681 6.158 ( 2.536 6.965 -3.254) 8.095 6.830 ( -0.731 -2.419 0.223) 2.537 7.155 ( -1.746 1.841 -0.286) 2.553 7.489 ( 4.202 4.380 4.203) 7.383 7.548 ( -0.007 3.428 2.915) 4.499 7.784 ( 10.380 -12.049 0.686) 15.918 8.335 ( -8.073 -4.462 -6.531) 11.302 9.097 ( 11.415 -0.949 14.244) 18.278 9.554 ( -2.964 6.085 -4.875) 8.341 10.150 ( -5.607 0.552 -3.536) 6.652 12.717 ( 2.503 -1.198 1.489) 3.150 14.818 ( -6.850 2.761 0.339) 7.394 15.127 ( 10.377 -18.637 0.405) 21.335 16.986 ( -5.306 0.138 1.027) 5.406 17.358 ( 1.025 4.130 1.739) 4.597 17.732 ( -2.394 10.782 -2.869) 11.412 18.260 ( 6.974 -1.818 2.476) 7.621 18.675 ( -4.099 0.276 -0.320) 4.121 ======================= Grid point 285 (141/150) ======================= q-point: (-0.12 0.12 -0.50) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( 0.000 0.210 -0.000) 0.210 1.684 ( -0.000 -8.815 -0.000) 8.815 1.932 ( -0.000 2.757 0.000) 2.757 2.194 ( 0.000 10.671 0.000) 10.671 2.284 ( -0.000 5.766 0.000) 5.766 2.379 ( -0.000 11.410 0.000) 11.410 2.970 ( -0.000 -0.866 0.000) 0.866 2.984 ( 0.000 3.822 -0.000) 3.822 3.148 ( 0.000 0.622 -0.000) 0.622 3.295 ( -0.000 7.667 0.000) 7.667 3.428 ( -0.000 5.692 0.000) 5.692 3.633 ( -0.000 7.574 0.000) 7.574 3.721 ( -0.000 4.786 0.000) 4.786 3.814 ( -0.000 -3.192 0.000) 3.192 4.089 ( -0.000 -6.537 0.000) 6.537 4.207 ( -0.000 -2.932 -0.000) 2.932 4.450 ( 0.000 -9.556 0.000) 9.556 4.517 ( -0.000 -4.044 -0.000) 4.044 4.662 ( -0.000 1.605 -0.000) 1.605 4.690 ( 0.000 -1.636 0.000) 1.636 4.855 ( -0.000 0.400 0.000) 0.400 5.053 ( 0.000 -6.712 0.000) 6.712 5.395 ( 0.000 -0.416 0.000) 0.416 5.992 ( -0.000 3.963 0.000) 3.963 6.165 ( -0.000 -5.857 0.000) 5.857 6.853 ( -0.000 -3.297 0.000) 3.297 7.087 ( -0.000 5.384 0.000) 5.384 7.451 ( -0.000 7.814 0.000) 7.814 7.558 ( -0.000 -1.115 0.000) 1.115 8.068 ( 0.000 -12.572 0.000) 12.572 8.242 ( -0.000 -1.398 0.000) 1.398 9.238 ( 0.000 -0.889 0.000) 0.889 9.501 ( 0.000 0.906 0.000) 0.906 10.040 ( -0.000 4.296 0.000) 4.296 12.766 ( -0.000 -1.767 0.000) 1.767 14.716 ( -0.000 2.935 0.000) 2.935 15.456 ( -0.000 -19.236 0.000) 19.236 16.929 ( -0.000 0.607 0.000) 0.607 17.327 ( -0.000 3.758 -0.000) 3.758 17.570 ( 0.000 11.451 0.000) 11.451 18.378 ( 0.000 -2.894 0.000) 2.894 18.604 ( -0.000 1.650 0.000) 1.650 ======================= Grid point 289 (142/150) ======================= q-point: ( 0.25 0.25 -0.50) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( 10.874 0.000 -10.990) 15.460 1.556 ( 12.467 0.000 -6.595) 14.104 2.265 ( -0.115 -0.000 5.617) 5.619 2.326 ( 7.285 0.000 2.958) 7.863 2.591 ( -10.335 -0.000 0.201) 10.337 2.949 ( 9.577 0.000 0.165) 9.578 3.073 ( 3.913 0.000 6.165) 7.302 3.126 ( 8.364 0.000 0.458) 8.376 3.264 ( 10.385 0.000 -3.055) 10.825 3.372 ( -11.301 -0.000 -3.455) 11.817 3.537 ( -8.842 -0.000 1.960) 9.056 3.663 ( -3.352 -0.000 16.448) 16.786 3.735 ( -3.902 -0.000 -2.717) 4.755 3.912 ( -5.547 -0.000 -6.526) 8.565 3.980 ( 13.131 0.000 4.489) 13.877 4.076 ( -8.072 -0.000 -5.352) 9.685 4.207 ( -2.321 -0.000 -11.074) 11.315 4.435 ( 6.204 0.000 -1.480) 6.378 4.695 ( -2.449 -0.000 6.069) 6.544 4.743 ( -6.596 -0.000 -2.736) 7.141 5.029 ( -4.562 -0.000 -0.388) 4.579 5.049 ( 9.421 0.000 5.326) 10.822 5.358 ( 0.508 0.000 -0.471) 0.692 5.788 ( -4.276 -0.000 -3.688) 5.647 6.050 ( 2.193 0.000 1.563) 2.693 6.957 ( -3.456 -0.000 2.735) 4.407 7.108 ( 0.528 0.000 1.222) 1.331 7.152 ( -2.330 -0.000 0.666) 2.423 7.427 ( -5.231 -0.000 -4.266) 6.750 7.541 ( 2.904 0.000 0.886) 3.036 8.323 ( -2.857 -0.000 -3.836) 4.783 8.900 ( -0.220 -0.000 5.167) 5.172 9.693 ( 9.308 0.000 -1.358) 9.406 10.349 ( -4.264 -0.000 0.029) 4.264 12.636 ( 1.011 0.000 -0.928) 1.373 14.556 ( -10.434 -0.000 -2.984) 10.853 15.168 ( 0.030 0.000 3.940) 3.941 17.262 ( -1.798 -0.000 0.562) 1.884 17.326 ( 2.823 0.000 2.284) 3.631 17.811 ( 8.091 0.000 -3.171) 8.690 17.969 ( -0.234 -0.000 -0.001) 0.234 18.800 ( 0.061 0.000 -3.748) 3.749 ======================= Grid point 290 (143/150) ======================= q-point: ( 0.38 0.25 -0.50) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( 8.030 -0.438 -6.358) 10.252 1.816 ( 15.913 2.873 6.191) 17.315 2.228 ( 1.486 6.531 0.914) 6.759 2.405 ( -9.576 -2.916 5.042) 11.209 2.446 ( 2.871 0.738 -4.255) 5.186 2.888 ( -14.109 2.061 -6.246) 15.567 3.071 ( 5.327 3.156 -1.580) 6.390 3.296 ( 7.320 -4.179 -2.229) 8.718 3.335 ( 1.349 3.272 6.932) 7.783 3.416 ( -4.849 -4.498 4.845) 8.198 3.539 ( 15.694 -1.513 0.063) 15.767 3.582 ( -7.135 4.314 -1.696) 8.508 3.697 ( -1.328 -4.885 -1.026) 5.166 3.853 ( -1.252 -1.724 7.068) 7.383 3.905 ( -4.100 5.534 -4.825) 8.409 4.122 ( -6.000 -5.021 -0.381) 7.833 4.215 ( 6.277 -2.716 -0.927) 6.901 4.468 ( 0.088 4.470 -1.623) 4.757 4.650 ( -2.405 -4.242 -3.262) 5.867 4.703 ( -0.114 0.332 0.757) 0.834 4.955 ( -2.462 0.984 -2.074) 3.366 5.110 ( -2.411 3.906 4.872) 6.694 5.332 ( -2.209 0.292 -0.165) 2.234 5.715 ( -4.464 -2.678 -3.301) 6.165 6.104 ( 3.436 -1.435 -1.308) 3.946 6.885 ( -2.890 2.113 0.375) 3.599 7.133 ( -1.131 -0.231 2.146) 2.437 7.194 ( 5.538 -1.384 2.197) 6.116 7.335 ( -1.197 -1.810 -5.338) 5.762 7.600 ( 0.790 -2.790 1.074) 3.093 8.352 ( 4.975 1.030 4.739) 6.948 8.870 ( -0.918 4.606 5.595) 7.305 9.852 ( 7.332 -0.802 -1.378) 7.503 10.233 ( -7.794 -0.560 -3.568) 8.590 12.653 ( 0.984 0.162 0.293) 1.039 14.443 ( -2.279 -1.888 -1.608) 3.368 15.135 ( -4.215 0.985 2.635) 5.068 17.196 ( -4.786 0.826 0.834) 4.928 17.388 ( 2.700 0.138 2.746) 3.853 17.942 ( 6.895 -0.763 -3.657) 7.842 17.988 ( 1.763 -0.183 2.354) 2.947 18.777 ( -0.628 0.516 -4.179) 4.257 ======================= Grid point 291 (144/150) ======================= q-point: (-0.50 0.25 0.50) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( -2.485 5.392 -3.482) 6.883 1.920 ( 2.034 8.666 2.768) 9.322 2.242 ( -2.731 2.919 3.349) 5.215 2.399 ( 7.751 4.134 -2.723) 9.197 2.419 ( 5.877 1.057 1.771) 6.228 2.730 ( -1.545 -1.601 -2.108) 3.065 3.089 ( -0.185 1.486 -2.308) 2.752 3.204 ( -6.668 9.741 0.341) 11.810 3.391 ( 0.987 -3.096 1.985) 3.808 3.423 ( -3.335 1.276 2.054) 4.119 3.532 ( 4.591 -4.305 0.349) 6.304 3.633 ( -9.949 1.324 -3.117) 10.510 3.746 ( 3.647 1.414 -1.862) 4.332 3.824 ( 2.874 -5.311 3.195) 6.832 4.055 ( -3.807 -6.613 1.484) 7.773 4.064 ( 8.299 -7.691 4.276) 12.096 4.270 ( 0.569 2.234 -1.213) 2.605 4.387 ( -2.032 4.471 -1.594) 5.164 4.619 ( -2.321 7.779 -8.676) 11.881 4.692 ( -3.382 -6.147 2.271) 7.374 4.929 ( -0.256 -1.414 4.174) 4.414 5.014 ( -2.557 3.684 0.052) 4.484 5.257 ( -4.595 0.687 -1.362) 4.842 5.675 ( -3.767 -5.965 -2.894) 7.626 6.196 ( 5.077 -2.222 -3.506) 6.558 6.828 ( -1.605 1.030 0.058) 1.908 7.121 ( -0.518 -0.977 0.654) 1.285 7.293 ( 0.211 -8.964 -1.233) 9.051 7.451 ( 11.390 2.195 4.018) 12.276 7.628 ( -0.048 -0.812 1.884) 2.052 8.402 ( -1.225 1.581 -1.792) 2.685 8.898 ( 7.481 3.490 13.960) 16.219 9.874 ( -2.399 5.823 -4.250) 7.598 10.132 ( -3.616 -5.103 -4.293) 7.586 12.670 ( 0.964 0.189 1.104) 1.478 14.509 ( 3.660 -7.708 0.266) 8.537 15.032 ( -5.742 2.177 0.773) 6.189 17.096 ( -5.823 0.631 1.170) 5.973 17.430 ( 2.093 1.724 2.672) 3.806 17.987 ( 1.510 3.054 -0.477) 3.440 18.081 ( 5.590 -2.026 -0.230) 5.950 18.739 ( -1.269 0.701 -3.394) 3.691 ======================= Grid point 292 (145/150) ======================= q-point: (-0.38 0.25 0.50) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( -2.669 5.032 -2.356) 6.164 1.823 ( -4.651 5.436 2.516) 7.583 2.152 ( 0.224 7.556 -1.323) 7.674 2.391 ( 8.120 6.222 -8.914) 13.568 2.563 ( 1.137 7.916 2.807) 8.476 2.851 ( 9.723 -2.674 7.641) 12.652 2.890 ( -8.841 9.089 0.110) 12.680 3.083 ( 0.760 6.519 1.218) 6.675 3.334 ( -6.600 4.879 -0.214) 8.210 3.416 ( -4.005 -4.792 3.211) 7.023 3.559 ( 3.919 -3.927 0.598) 5.580 3.623 ( 2.933 -2.154 -4.251) 5.596 3.719 ( -3.595 0.665 0.207) 3.662 3.933 ( -4.762 -4.374 3.035) 7.143 4.053 ( -0.343 -5.661 -1.607) 5.894 4.210 ( -1.953 7.061 -2.656) 7.793 4.223 ( -1.918 0.507 -0.505) 2.047 4.338 ( 2.007 -1.645 1.656) 3.079 4.549 ( 8.682 0.215 -4.346) 9.712 4.713 ( -2.331 -5.025 2.892) 6.249 4.869 ( -5.293 4.719 -4.394) 8.342 4.950 ( -3.123 0.163 2.138) 3.789 5.256 ( 1.484 -5.649 1.588) 6.053 5.708 ( -1.428 -9.574 -1.739) 9.835 6.267 ( 3.165 1.281 -3.749) 5.071 6.805 ( -0.616 -0.109 0.217) 0.662 7.149 ( 0.647 -1.782 1.052) 2.168 7.420 ( 0.494 -13.218 -1.150) 13.277 7.565 ( 1.448 2.123 2.738) 3.755 7.702 ( 9.634 4.421 5.995) 12.178 8.281 ( -7.291 -0.269 -6.915) 10.052 9.119 ( 12.014 2.023 16.221) 20.287 9.677 ( -7.617 4.948 -8.763) 12.621 10.132 ( -1.493 -2.068 -2.099) 3.304 12.695 ( 1.236 -0.630 1.082) 1.760 14.715 ( 3.553 -14.135 2.086) 14.724 14.914 ( -3.124 2.891 -1.293) 4.449 16.999 ( -4.355 0.789 0.934) 4.523 17.442 ( 1.291 3.028 1.941) 3.821 17.936 ( -0.228 7.077 -1.470) 7.232 18.201 ( 4.519 -3.138 0.686) 5.544 18.692 ( -1.768 1.128 -1.619) 2.650 ======================= Grid point 293 (146/150) ======================= q-point: (-0.25 0.25 -0.50) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 134 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( 0.000 -5.306 0.000) 5.306 1.669 ( -0.000 8.601 -0.000) 8.601 2.067 ( -0.000 8.047 -0.000) 8.047 2.415 ( 0.000 8.805 -0.000) 8.805 2.442 ( -0.000 8.301 0.000) 8.301 2.640 ( -0.000 9.598 0.000) 9.598 3.021 ( -0.000 5.627 0.000) 5.627 3.071 ( 0.000 3.298 0.000) 3.298 3.162 ( -0.000 0.458 -0.000) 0.458 3.438 ( 0.000 3.369 0.000) 3.369 3.599 ( -0.000 8.574 0.000) 8.574 3.632 ( -0.000 -6.202 0.000) 6.202 3.739 ( -0.000 -6.363 0.000) 6.363 3.843 ( -0.000 2.392 -0.000) 2.392 4.059 ( -0.000 7.575 0.000) 7.575 4.128 ( 0.000 -4.993 -0.000) 4.993 4.249 ( -0.000 -5.613 0.000) 5.613 4.420 ( -0.000 -4.141 -0.000) 4.141 4.647 ( 0.000 -2.684 0.000) 2.684 4.708 ( -0.000 4.220 0.000) 4.220 4.810 ( -0.000 -3.936 0.000) 3.936 4.922 ( 0.000 -3.936 -0.000) 3.936 5.346 ( -0.000 -4.527 0.000) 4.527 5.818 ( -0.000 -11.895 0.000) 11.895 6.247 ( -0.000 5.482 0.000) 5.482 6.807 ( -0.000 -1.000 0.000) 1.000 7.162 ( -0.000 0.831 0.000) 0.831 7.554 ( -0.000 1.277 0.000) 1.277 7.560 ( 0.000 -6.620 -0.000) 6.620 7.795 ( 0.000 -2.048 0.000) 2.048 8.197 ( -0.000 -2.440 0.000) 2.440 9.268 ( 0.000 3.282 0.000) 3.282 9.527 ( -0.000 1.257 -0.000) 1.257 10.109 ( -0.000 1.409 0.000) 1.409 12.725 ( -0.000 -1.606 0.000) 1.606 14.792 ( 0.000 2.316 0.000) 2.316 15.000 ( -0.000 -17.874 0.000) 17.874 16.948 ( -0.000 1.035 0.000) 1.035 17.419 ( -0.000 3.864 -0.000) 3.864 17.827 ( 0.000 10.243 0.000) 10.243 18.294 ( 0.000 -4.269 0.000) 4.269 18.649 ( -0.000 2.079 0.000) 2.079 ======================= Grid point 299 (147/150) ======================= q-point: ( 0.38 0.38 -0.50) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( -5.155 -0.000 0.368) 5.168 2.132 ( 12.750 0.000 3.002) 13.099 2.274 ( 0.353 0.000 2.865) 2.886 2.376 ( -10.847 -0.000 -9.364) 14.330 2.442 ( 17.628 0.000 4.255) 18.134 2.722 ( -1.169 -0.000 -0.488) 1.267 3.157 ( 1.130 0.000 -2.875) 3.089 3.276 ( -7.268 -0.000 3.884) 8.241 3.303 ( 1.246 0.000 -8.771) 8.859 3.412 ( -1.348 -0.000 1.473) 1.997 3.538 ( -1.591 -0.000 2.431) 2.905 3.629 ( -3.252 -0.000 1.672) 3.657 3.800 ( -4.627 -0.000 2.603) 5.309 3.838 ( 2.705 0.000 -1.951) 3.335 3.890 ( 6.262 0.000 6.126) 8.760 3.938 ( 1.468 0.000 -1.032) 1.795 4.369 ( 6.814 0.000 1.088) 6.900 4.478 ( -7.166 -0.000 0.168) 7.168 4.520 ( 0.478 0.000 -2.659) 2.702 4.703 ( -1.598 -0.000 -4.660) 4.927 4.949 ( 1.778 0.000 -1.805) 2.533 5.021 ( -10.082 -0.000 5.467) 11.469 5.303 ( -1.776 -0.000 -2.449) 3.025 5.602 ( -5.136 -0.000 -2.837) 5.867 6.149 ( 3.773 0.000 -2.567) 4.563 6.846 ( -2.337 -0.000 -0.763) 2.459 7.126 ( -1.012 -0.000 4.269) 4.388 7.167 ( -1.771 -0.000 -4.484) 4.821 7.480 ( 13.769 0.000 4.682) 14.544 7.610 ( 0.956 0.000 1.322) 1.632 8.428 ( -0.807 -0.000 -0.830) 1.158 8.943 ( 5.008 0.000 13.017) 13.947 9.977 ( 6.625 0.000 -0.956) 6.694 10.033 ( -11.338 -0.000 -7.841) 13.785 12.672 ( 0.786 0.000 0.895) 1.191 14.421 ( 1.518 0.000 -0.536) 1.610 15.060 ( -5.389 -0.000 1.462) 5.583 17.104 ( -5.938 -0.000 1.099) 6.039 17.449 ( 2.596 0.000 2.468) 3.582 18.030 ( 1.911 0.000 3.679) 4.146 18.044 ( 6.049 0.000 -3.522) 7.000 18.749 ( -0.954 -0.000 -4.529) 4.629 ======================= Grid point 300 (148/150) ======================= q-point: (-0.50 0.38 0.50) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( -10.443 -0.696 2.048) 10.665 2.084 ( -3.067 11.437 -3.934) 12.478 2.300 ( 6.380 6.058 -0.620) 8.820 2.443 ( 12.104 -3.374 -4.661) 13.402 2.695 ( -1.450 3.068 -1.060) 3.555 2.803 ( 14.940 -0.739 8.078) 17.000 3.060 ( -6.944 6.987 0.181) 9.853 3.200 ( -3.788 -2.521 1.258) 4.721 3.256 ( -3.870 -0.962 -2.385) 4.647 3.380 ( -2.200 -2.447 -3.151) 4.556 3.511 ( -4.350 -0.105 0.792) 4.423 3.557 ( 0.980 0.164 4.296) 4.409 3.762 ( -2.480 -3.815 -0.229) 4.556 3.816 ( -1.453 -2.589 3.480) 4.574 3.946 ( 0.444 0.955 0.344) 1.108 4.181 ( 9.276 -5.306 -1.024) 10.735 4.320 ( -2.969 6.237 -0.205) 6.910 4.434 ( 2.488 4.521 -0.176) 5.163 4.552 ( -3.744 -5.539 -0.950) 6.752 4.625 ( 1.886 2.789 -8.738) 9.364 4.862 ( -8.712 -0.242 8.240) 11.994 5.038 ( 4.014 -4.540 -0.640) 6.094 5.207 ( -3.679 6.901 -2.115) 8.101 5.540 ( -3.298 -5.139 -2.040) 6.438 6.222 ( 3.002 -3.356 -2.352) 5.080 6.811 ( -0.993 0.369 -0.424) 1.142 7.117 ( 0.104 -0.237 1.785) 1.804 7.185 ( -0.745 -6.298 -0.809) 6.393 7.619 ( 0.967 1.676 1.040) 2.197 7.757 ( 13.988 0.696 7.165) 15.732 8.301 ( -9.503 1.101 -7.052) 11.885 9.158 ( 12.087 1.052 16.863) 20.774 9.768 ( -11.780 2.576 -11.226) 16.475 10.077 ( 2.593 -1.964 -0.789) 3.347 12.688 ( 0.592 -0.121 0.810) 1.010 14.486 ( 2.139 -5.393 0.458) 5.820 14.973 ( -3.382 1.628 0.108) 3.755 17.014 ( -4.093 0.413 0.833) 4.197 17.487 ( 1.449 1.013 1.556) 2.355 18.051 ( 1.271 3.279 1.243) 3.730 18.134 ( 3.375 -2.484 -0.827) 4.272 18.714 ( -0.890 0.595 -2.907) 3.098 ======================= Grid point 301 (149/150) ======================= q-point: (-0.38 0.38 -0.50) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( -0.000 -1.731 0.000) 1.731 1.931 ( 0.000 11.618 -0.000) 11.618 2.268 ( -0.000 10.343 -0.000) 10.343 2.583 ( -0.000 5.902 0.000) 5.902 2.628 ( -0.000 6.063 0.000) 6.063 2.775 ( -0.000 3.087 0.000) 3.087 3.105 ( 0.000 0.063 0.000) 0.063 3.142 ( -0.000 -2.284 -0.000) 2.284 3.185 ( 0.000 6.413 0.000) 6.413 3.400 ( -0.000 -4.672 0.000) 4.672 3.508 ( -0.000 -3.644 0.000) 3.644 3.604 ( -0.000 -3.213 -0.000) 3.213 3.753 ( -0.000 2.347 0.000) 2.347 3.822 ( -0.000 -3.058 -0.000) 3.058 3.966 ( -0.000 -5.568 0.000) 5.568 4.229 ( 0.000 4.549 0.000) 4.549 4.312 ( -0.000 -5.397 0.000) 5.397 4.334 ( 0.000 12.571 -0.000) 12.571 4.563 ( -0.000 -4.756 0.000) 4.756 4.710 ( -0.000 -3.931 0.000) 3.931 4.775 ( 0.000 -1.507 -0.000) 1.507 5.011 ( 0.000 13.045 0.000) 13.045 5.188 ( -0.000 -8.993 0.000) 8.993 5.587 ( -0.000 -8.285 0.000) 8.285 6.282 ( -0.000 -2.383 0.000) 2.383 6.799 ( -0.000 0.147 0.000) 0.147 7.142 ( -0.000 -1.755 0.000) 1.755 7.271 ( 0.000 -11.256 0.000) 11.256 7.605 ( -0.000 2.474 0.000) 2.474 7.919 ( 0.000 6.340 0.000) 6.340 8.141 ( -0.000 -2.220 0.000) 2.220 9.351 ( 0.000 3.324 0.000) 3.324 9.552 ( -0.000 0.860 -0.000) 0.860 10.110 ( -0.000 -0.801 0.000) 0.801 12.700 ( -0.000 -0.643 0.000) 0.643 14.603 ( -0.000 -11.059 0.000) 11.059 14.917 ( -0.000 2.819 0.000) 2.819 16.971 ( -0.000 0.818 0.000) 0.818 17.486 ( 0.000 2.032 0.000) 2.032 18.010 ( -0.000 5.966 0.000) 5.966 18.201 ( 0.000 -3.718 0.000) 3.718 18.688 ( -0.000 1.303 0.000) 1.303 ======================= Grid point 310 (150/150) ======================= q-point: (-0.50 0.50 -0.50) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( -0.000 -0.000 0.000) 0.000 2.067 ( -0.000 -0.000 0.000) 0.000 2.490 ( -0.000 -0.000 0.000) 0.000 2.613 ( 0.000 0.000 -0.000) 0.000 2.657 ( 0.000 -0.000 0.000) 0.000 2.807 ( -0.000 -0.000 0.000) 0.000 3.083 ( 0.000 -0.000 0.000) 0.000 3.134 ( 0.000 -0.000 0.000) 0.000 3.272 ( -0.000 -0.000 0.000) 0.000 3.344 ( -0.000 -0.000 -0.000) 0.000 3.460 ( 0.000 -0.000 0.000) 0.000 3.572 ( -0.000 -0.000 -0.000) 0.000 3.703 ( -0.000 -0.000 0.000) 0.000 3.766 ( -0.000 -0.000 0.000) 0.000 3.974 ( -0.000 -0.000 0.000) 0.000 4.231 ( -0.000 -0.000 0.000) 0.000 4.321 ( 0.000 -0.000 0.000) 0.000 4.474 ( 0.000 -0.000 0.000) 0.000 4.520 ( -0.000 -0.000 0.000) 0.000 4.673 ( -0.000 -0.000 0.000) 0.000 4.747 ( 0.000 -0.000 -0.000) 0.000 5.038 ( -0.000 -0.000 0.000) 0.000 5.237 ( -0.000 -0.000 0.000) 0.000 5.460 ( -0.000 -0.000 0.000) 0.000 6.223 ( -0.000 -0.000 0.000) 0.000 6.803 ( -0.000 -0.000 0.000) 0.000 7.117 ( -0.000 -0.000 0.000) 0.000 7.145 ( -0.000 -0.000 0.000) 0.000 7.637 ( -0.000 -0.000 0.000) 0.000 7.996 ( -0.000 -0.000 0.000) 0.000 8.113 ( -0.000 -0.000 0.000) 0.000 9.392 ( 0.000 -0.000 0.000) 0.000 9.562 ( -0.000 -0.000 -0.000) 0.000 10.097 ( -0.000 -0.000 0.000) 0.000 12.694 ( 0.000 -0.000 0.000) 0.000 14.474 ( -0.000 -0.000 0.000) 0.000 14.953 ( -0.000 -0.000 0.000) 0.000 16.980 ( -0.000 -0.000 0.000) 0.000 17.509 ( 0.000 -0.000 0.000) 0.000 18.091 ( -0.000 -0.000 0.000) 0.000 18.143 ( -0.000 -0.000 -0.000) 0.000 18.703 ( -0.000 -0.000 -0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/21504 10.0 159.895 141.274 225.679 0.000 -50.736 -0.000 3/21504 20.0 48.296 34.465 42.428 0.000 1.666 0.000 3/21504 30.0 22.104 14.038 16.012 0.000 2.039 0.000 3/21504 40.0 13.242 8.018 8.981 0.000 1.443 0.000 3/21504 50.0 9.227 5.475 6.115 0.000 1.066 0.000 3/21504 60.0 7.037 4.137 4.632 0.000 0.835 0.000 3/21504 70.0 5.687 3.327 3.742 0.000 0.685 0.000 3/21504 80.0 4.782 2.790 3.155 0.000 0.582 0.000 3/21504 90.0 4.136 2.408 2.741 0.000 0.507 0.000 3/21504 100.0 3.654 2.125 2.434 0.000 0.451 0.000 3/21504 110.0 3.282 1.906 2.199 0.000 0.408 0.000 3/21504 120.0 2.985 1.733 2.012 0.000 0.372 0.000 3/21504 130.0 2.743 1.593 1.861 0.000 0.343 0.000 3/21504 140.0 2.543 1.477 1.735 0.000 0.318 0.000 3/21504 150.0 2.373 1.379 1.629 0.000 0.296 0.000 3/21504 160.0 2.228 1.295 1.538 0.000 0.278 0.000 3/21504 170.0 2.102 1.223 1.458 0.000 0.261 0.000 3/21504 180.0 1.991 1.160 1.388 0.000 0.246 0.000 3/21504 190.0 1.893 1.104 1.325 0.000 0.233 0.000 3/21504 200.0 1.805 1.054 1.269 0.000 0.221 0.000 3/21504 210.0 1.726 1.008 1.218 0.000 0.211 0.000 3/21504 220.0 1.654 0.968 1.172 0.000 0.201 0.000 3/21504 230.0 1.588 0.930 1.129 0.000 0.192 0.000 3/21504 240.0 1.528 0.896 1.089 0.000 0.184 0.000 3/21504 250.0 1.473 0.864 1.053 0.000 0.176 0.000 3/21504 260.0 1.422 0.835 1.018 0.000 0.170 0.000 3/21504 270.0 1.374 0.808 0.987 0.000 0.163 0.000 3/21504 280.0 1.330 0.782 0.957 0.000 0.157 0.000 3/21504 290.0 1.288 0.759 0.929 0.000 0.152 0.000 3/21504 300.0 1.249 0.736 0.902 0.000 0.146 0.000 3/21504 310.0 1.213 0.715 0.877 0.000 0.142 0.000 3/21504 320.0 1.178 0.695 0.853 0.000 0.137 0.000 3/21504 330.0 1.146 0.677 0.831 0.000 0.133 0.000 3/21504 340.0 1.115 0.659 0.810 0.000 0.129 0.000 3/21504 350.0 1.086 0.642 0.789 0.000 0.125 0.000 3/21504 360.0 1.058 0.626 0.770 0.000 0.122 0.000 3/21504 370.0 1.032 0.611 0.752 0.000 0.118 0.000 3/21504 380.0 1.007 0.597 0.734 0.000 0.115 0.000 3/21504 390.0 0.983 0.583 0.718 0.000 0.112 0.000 3/21504 400.0 0.961 0.569 0.702 0.000 0.109 0.000 3/21504 410.0 0.939 0.557 0.686 0.000 0.106 0.000 3/21504 420.0 0.918 0.545 0.672 0.000 0.104 0.000 3/21504 430.0 0.898 0.533 0.658 0.000 0.101 0.000 3/21504 440.0 0.879 0.522 0.644 0.000 0.099 0.000 3/21504 450.0 0.861 0.511 0.631 0.000 0.097 0.000 3/21504 460.0 0.844 0.501 0.619 0.000 0.095 0.000 3/21504 470.0 0.827 0.491 0.607 0.000 0.093 0.000 3/21504 480.0 0.811 0.482 0.595 0.000 0.091 0.000 3/21504 490.0 0.795 0.473 0.584 0.000 0.089 0.000 3/21504 500.0 0.780 0.464 0.573 0.000 0.087 0.000 3/21504 510.0 0.766 0.456 0.563 0.000 0.085 0.000 3/21504 520.0 0.752 0.447 0.553 0.000 0.084 0.000 3/21504 530.0 0.738 0.440 0.543 0.000 0.082 0.000 3/21504 540.0 0.725 0.432 0.534 0.000 0.080 0.000 3/21504 550.0 0.713 0.425 0.525 0.000 0.079 0.000 3/21504 560.0 0.701 0.417 0.516 0.000 0.078 0.000 3/21504 570.0 0.689 0.411 0.507 0.000 0.076 0.000 3/21504 580.0 0.678 0.404 0.499 0.000 0.075 0.000 3/21504 590.0 0.667 0.397 0.491 0.000 0.074 0.000 3/21504 600.0 0.656 0.391 0.484 0.000 0.072 0.000 3/21504 610.0 0.646 0.385 0.476 0.000 0.071 0.000 3/21504 620.0 0.636 0.379 0.469 0.000 0.070 0.000 3/21504 630.0 0.626 0.373 0.462 0.000 0.069 0.000 3/21504 640.0 0.617 0.368 0.455 0.000 0.068 0.000 3/21504 650.0 0.608 0.363 0.448 0.000 0.067 0.000 3/21504 660.0 0.599 0.357 0.442 0.000 0.066 0.000 3/21504 670.0 0.590 0.352 0.436 0.000 0.065 0.000 3/21504 680.0 0.582 0.347 0.430 0.000 0.064 0.000 3/21504 690.0 0.574 0.342 0.424 0.000 0.063 0.000 3/21504 700.0 0.566 0.338 0.418 0.000 0.062 0.000 3/21504 710.0 0.558 0.333 0.412 0.000 0.061 0.000 3/21504 720.0 0.551 0.329 0.407 0.000 0.060 0.000 3/21504 730.0 0.543 0.325 0.402 0.000 0.059 0.000 3/21504 740.0 0.536 0.320 0.396 0.000 0.059 0.000 3/21504 750.0 0.529 0.316 0.391 0.000 0.058 0.000 3/21504 760.0 0.523 0.312 0.386 0.000 0.057 0.000 3/21504 770.0 0.516 0.308 0.382 0.000 0.056 0.000 3/21504 780.0 0.510 0.304 0.377 0.000 0.055 0.000 3/21504 790.0 0.503 0.301 0.372 0.000 0.055 0.000 3/21504 800.0 0.497 0.297 0.368 0.000 0.054 0.000 3/21504 810.0 0.491 0.294 0.363 0.000 0.053 0.000 3/21504 820.0 0.486 0.290 0.359 0.000 0.053 0.000 3/21504 830.0 0.480 0.287 0.355 0.000 0.052 0.000 3/21504 840.0 0.474 0.283 0.351 0.000 0.051 0.000 3/21504 850.0 0.469 0.280 0.347 0.000 0.051 0.000 3/21504 860.0 0.464 0.277 0.343 0.000 0.050 0.000 3/21504 870.0 0.458 0.274 0.339 0.000 0.050 0.000 3/21504 880.0 0.453 0.271 0.335 0.000 0.049 0.000 3/21504 890.0 0.448 0.268 0.332 0.000 0.049 0.000 3/21504 900.0 0.443 0.265 0.328 0.000 0.048 0.000 3/21504 910.0 0.439 0.262 0.325 0.000 0.048 0.000 3/21504 920.0 0.434 0.260 0.321 0.000 0.047 0.000 3/21504 930.0 0.429 0.257 0.318 0.000 0.046 0.000 3/21504 940.0 0.425 0.254 0.315 0.000 0.046 0.000 3/21504 950.0 0.421 0.252 0.311 0.000 0.045 0.000 3/21504 960.0 0.416 0.249 0.308 0.000 0.045 0.000 3/21504 970.0 0.412 0.246 0.305 0.000 0.045 0.000 3/21504 980.0 0.408 0.244 0.302 0.000 0.044 0.000 3/21504 990.0 0.404 0.242 0.299 0.000 0.044 0.000 3/21504 1000.0 0.400 0.239 0.296 0.000 0.043 0.000 3/21504 Thermal conductivity related properties were written into "kappa-m888.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:21:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|