----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:59:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3 (147) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.326776999867673 0.000000000000000 0.000000000000000 b -3.163388499933836 5.479149605964500 0.000000000000000 c 0.000000000000000 0.000000000000000 7.036245180000000 Atomic positions (fractional): *1 O 0.62007284034504 0.72178342303389 0.26057333163959 15.999 2 O 0.27821657696611 0.89828941731115 0.26057333163959 15.999 3 O 0.10171058268885 0.37992715965496 0.26057333163959 15.999 4 O 0.37992715965496 0.27821657696611 0.73942666836041 15.999 5 O 0.89828941731115 0.62007284034504 0.73942666836041 15.999 6 O 0.72178342303389 0.10171058268885 0.73942666836041 15.999 *7 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 *8 K 0.66666666666667 0.33333333333333 0.37948152971047 39.098 *9 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 10 K 0.33333333333333 0.66666666666667 0.62051847028953 39.098 *11 Te 0.33333333333333 0.66666666666667 0.13815371673560 127.600 12 Te 0.66666666666667 0.33333333333333 0.86184628326441 127.600 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.326776999867673 0.000000000000000 0.000000000000000 b -3.163388499933836 5.479149605964500 0.000000000000000 c 0.000000000000000 0.000000000000000 7.036245180000000 Atomic positions (fractional): *1 O 0.62007284034504 0.72178342303389 0.26057333163959 15.999 > 1 2 O 0.27821657696611 0.89828941731115 0.26057333163959 15.999 > 2 3 O 0.10171058268885 0.37992715965496 0.26057333163959 15.999 > 3 4 O 0.37992715965496 0.27821657696611 0.73942666836041 15.999 > 4 5 O 0.89828941731115 0.62007284034504 0.73942666836041 15.999 > 5 6 O 0.72178342303389 0.10171058268885 0.73942666836041 15.999 > 6 *7 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 > 7 *8 K 0.66666666666667 0.33333333333333 0.37948152971047 39.098 > 8 *9 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 9 10 K 0.33333333333333 0.66666666666667 0.62051847028953 39.098 > 10 *11 Te 0.33333333333333 0.66666666666667 0.13815371673560 127.600 > 11 12 Te 0.66666666666667 0.33333333333333 0.86184628326441 127.600 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.653553999735346 0.000000000000000 0.000000000000000 b -6.326776999867672 10.958299211929001 0.000000000000000 c 0.000000000000000 0.000000000000000 14.072490360000000 Atomic positions (fractional): *1 O 0.31003642017252 0.36089171151694 0.13028666581980 15.999 > 1 2 O 0.81003642017252 0.36089171151694 0.13028666581980 15.999 > 1 3 O 0.31003642017252 0.86089171151694 0.13028666581980 15.999 > 1 4 O 0.81003642017252 0.86089171151694 0.13028666581980 15.999 > 1 5 O 0.31003642017252 0.36089171151694 0.63028666581979 15.999 > 1 6 O 0.81003642017252 0.36089171151694 0.63028666581979 15.999 > 1 7 O 0.31003642017252 0.86089171151694 0.63028666581979 15.999 > 1 8 O 0.81003642017252 0.86089171151694 0.63028666581979 15.999 > 1 9 O 0.13910828848306 0.44914470865558 0.13028666581980 15.999 > 2 10 O 0.63910828848306 0.44914470865558 0.13028666581980 15.999 > 2 11 O 0.13910828848306 0.94914470865558 0.13028666581980 15.999 > 2 12 O 0.63910828848306 0.94914470865558 0.13028666581980 15.999 > 2 13 O 0.13910828848306 0.44914470865558 0.63028666581979 15.999 > 2 14 O 0.63910828848306 0.44914470865558 0.63028666581979 15.999 > 2 15 O 0.13910828848306 0.94914470865558 0.63028666581979 15.999 > 2 16 O 0.63910828848306 0.94914470865558 0.63028666581979 15.999 > 2 17 O 0.05085529134442 0.18996357982748 0.13028666581980 15.999 > 3 18 O 0.55085529134442 0.18996357982748 0.13028666581980 15.999 > 3 19 O 0.05085529134442 0.68996357982748 0.13028666581980 15.999 > 3 20 O 0.55085529134442 0.68996357982748 0.13028666581980 15.999 > 3 21 O 0.05085529134442 0.18996357982748 0.63028666581979 15.999 > 3 22 O 0.55085529134442 0.18996357982748 0.63028666581979 15.999 > 3 23 O 0.05085529134442 0.68996357982748 0.63028666581979 15.999 > 3 24 O 0.55085529134442 0.68996357982748 0.63028666581979 15.999 > 3 25 O 0.18996357982748 0.13910828848306 0.36971333418021 15.999 > 4 26 O 0.68996357982748 0.13910828848306 0.36971333418021 15.999 > 4 27 O 0.18996357982748 0.63910828848306 0.36971333418021 15.999 > 4 28 O 0.68996357982748 0.63910828848306 0.36971333418021 15.999 > 4 29 O 0.18996357982748 0.13910828848306 0.86971333418021 15.999 > 4 30 O 0.68996357982748 0.13910828848306 0.86971333418021 15.999 > 4 31 O 0.18996357982748 0.63910828848306 0.86971333418021 15.999 > 4 32 O 0.68996357982748 0.63910828848306 0.86971333418021 15.999 > 4 33 O 0.44914470865558 0.31003642017252 0.36971333418021 15.999 > 5 34 O 0.94914470865558 0.31003642017252 0.36971333418021 15.999 > 5 35 O 0.44914470865558 0.81003642017252 0.36971333418021 15.999 > 5 36 O 0.94914470865558 0.81003642017252 0.36971333418021 15.999 > 5 37 O 0.44914470865558 0.31003642017252 0.86971333418021 15.999 > 5 38 O 0.94914470865558 0.31003642017252 0.86971333418021 15.999 > 5 39 O 0.44914470865558 0.81003642017252 0.86971333418021 15.999 > 5 40 O 0.94914470865558 0.81003642017252 0.86971333418021 15.999 > 5 41 O 0.36089171151694 0.05085529134442 0.36971333418021 15.999 > 6 42 O 0.86089171151694 0.05085529134442 0.36971333418021 15.999 > 6 43 O 0.36089171151694 0.55085529134442 0.36971333418021 15.999 > 6 44 O 0.86089171151694 0.55085529134442 0.36971333418021 15.999 > 6 45 O 0.36089171151694 0.05085529134442 0.86971333418021 15.999 > 6 46 O 0.86089171151694 0.05085529134442 0.86971333418021 15.999 > 6 47 O 0.36089171151694 0.55085529134442 0.86971333418021 15.999 > 6 48 O 0.86089171151694 0.55085529134442 0.86971333418021 15.999 > 6 *49 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 > 7 50 K 0.50000000000000 0.00000000000000 0.00000000000000 39.098 > 7 51 K 0.00000000000000 0.50000000000000 0.00000000000000 39.098 > 7 52 K 0.50000000000000 0.50000000000000 0.00000000000000 39.098 > 7 53 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 7 54 K 0.50000000000000 0.00000000000000 0.50000000000000 39.098 > 7 55 K 0.00000000000000 0.50000000000000 0.50000000000000 39.098 > 7 56 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 > 7 *57 K 0.33333333333333 0.16666666666667 0.18974076485523 39.098 > 8 58 K 0.83333333333333 0.16666666666667 0.18974076485523 39.098 > 8 59 K 0.33333333333333 0.66666666666667 0.18974076485523 39.098 > 8 60 K 0.83333333333333 0.66666666666667 0.18974076485523 39.098 > 8 61 K 0.33333333333333 0.16666666666667 0.68974076485523 39.098 > 8 62 K 0.83333333333333 0.16666666666667 0.68974076485523 39.098 > 8 63 K 0.33333333333333 0.66666666666667 0.68974076485523 39.098 > 8 64 K 0.83333333333333 0.66666666666667 0.68974076485523 39.098 > 8 *65 K 0.00000000000000 0.00000000000000 0.25000000000000 39.098 > 9 66 K 0.50000000000000 0.00000000000000 0.25000000000000 39.098 > 9 67 K 0.00000000000000 0.50000000000000 0.25000000000000 39.098 > 9 68 K 0.50000000000000 0.50000000000000 0.25000000000000 39.098 > 9 69 K 0.00000000000000 0.00000000000000 0.75000000000000 39.098 > 9 70 K 0.50000000000000 0.00000000000000 0.75000000000000 39.098 > 9 71 K 0.00000000000000 0.50000000000000 0.75000000000000 39.098 > 9 72 K 0.50000000000000 0.50000000000000 0.75000000000000 39.098 > 9 73 K 0.16666666666667 0.33333333333333 0.31025923514477 39.098 > 10 74 K 0.66666666666667 0.33333333333333 0.31025923514477 39.098 > 10 75 K 0.16666666666667 0.83333333333333 0.31025923514477 39.098 > 10 76 K 0.66666666666667 0.83333333333333 0.31025923514477 39.098 > 10 77 K 0.16666666666667 0.33333333333333 0.81025923514477 39.098 > 10 78 K 0.66666666666667 0.33333333333333 0.81025923514477 39.098 > 10 79 K 0.16666666666667 0.83333333333333 0.81025923514477 39.098 > 10 80 K 0.66666666666667 0.83333333333333 0.81025923514477 39.098 > 10 *81 Te 0.16666666666667 0.33333333333333 0.06907685836780 127.600 > 11 82 Te 0.66666666666667 0.33333333333333 0.06907685836780 127.600 > 11 83 Te 0.16666666666667 0.83333333333333 0.06907685836780 127.600 > 11 84 Te 0.66666666666667 0.83333333333333 0.06907685836780 127.600 > 11 85 Te 0.16666666666667 0.33333333333333 0.56907685836780 127.600 > 11 86 Te 0.66666666666667 0.33333333333333 0.56907685836780 127.600 > 11 87 Te 0.16666666666667 0.83333333333333 0.56907685836780 127.600 > 11 88 Te 0.66666666666667 0.83333333333333 0.56907685836780 127.600 > 11 89 Te 0.33333333333333 0.16666666666667 0.43092314163220 127.600 > 12 90 Te 0.83333333333333 0.16666666666667 0.43092314163220 127.600 > 12 91 Te 0.33333333333333 0.66666666666667 0.43092314163220 127.600 > 12 92 Te 0.83333333333333 0.66666666666667 0.43092314163220 127.600 > 12 93 Te 0.33333333333333 0.16666666666667 0.93092314163220 127.600 > 12 94 Te 0.83333333333333 0.16666666666667 0.93092314163220 127.600 > 12 95 Te 0.33333333333333 0.66666666666667 0.93092314163220 127.600 > 12 96 Te 0.83333333333333 0.66666666666667 0.93092314163220 127.600 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9437168 0.0000006 0.0000000 -0.0000006 2.9437168 0.0000000 0.0000000 0.0000000 2.7336403 -------------------------- Born effective charges -------------------------- 1 O -2.1646716 -0.1795665 -0.6382753 -0.1312831 -1.1021906 -0.1458355 -0.1299839 -0.0582017 -1.2826141 2 O -1.5024126 0.5136385 0.4454349 0.5619219 -1.7644496 -0.4798449 0.1153961 -0.0834685 -1.2826141 3 O -1.2332090 -0.4064971 0.1928404 -0.3582137 -2.0336531 0.6256804 0.0145878 0.1416702 -1.2826141 4 O -2.1646716 -0.1795665 -0.6382753 -0.1312831 -1.1021906 -0.1458355 -0.1299839 -0.0582017 -1.2826141 5 O -1.2332090 -0.4064971 0.1928404 -0.3582137 -2.0336531 0.6256804 0.0145878 0.1416702 -1.2826141 6 O -1.5024126 0.5136385 0.4454349 0.5619219 -1.7644496 -0.4798449 0.1153961 -0.0834685 -1.2826141 7 K 1.3018067 0.0705660 0.0000000 -0.0705660 1.3018067 0.0000000 0.0000000 -0.0000000 0.9980247 8 K 1.0972357 -0.0769581 0.0000000 0.0769581 1.0972357 0.0000000 0.0000000 -0.0000000 1.3103303 9 K 1.3252844 0.1292981 0.0000000 -0.1292981 1.3252844 0.0000000 0.0000000 -0.0000000 1.3780028 10 K 1.0972357 -0.0769581 0.0000000 0.0769581 1.0972357 0.0000000 0.0000000 -0.0000000 1.3103303 11 Te 2.4895120 0.0494511 0.0000000 -0.0494511 2.4895120 0.0000000 0.0000000 -0.0000000 1.3494983 12 Te 2.4895120 0.0494511 0.0000000 -0.0494511 2.4895120 0.0000000 0.0000000 -0.0000000 1.3494983 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 5544/5544 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 924 Number of blocks in projector: 450 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 430 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 364 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 130 Use standard eigh solver. Tree of FC basis block matrices: - (924, 904), data: False |-- (130, 125), data: True |-- (364, 360), data: True |-- (430, 419), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.009 Solver_block: 100 / 240 - Time: 0.867 Solver_block: 200 / 240 - Time: 0.843 Solver_block: 240 / 240 - Time: 0.407 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.151 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 288/288 Permutation basis: 5544/5544 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 924 Number of blocks in projector: 450 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 430 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 364 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 130 Use standard eigh solver. Tree of FC basis block matrices: - (924, 904), data: False |-- (130, 125), data: True |-- (364, 360), data: True |-- (430, 419), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:00:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:00:07]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3 (147) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.326776999867673 0.000000000000000 0.000000000000000 b -3.163388499933836 5.479149605964500 0.000000000000000 c 0.000000000000000 0.000000000000000 7.036245180000000 Atomic positions (fractional): 1 O 0.62007284034504 0.72178342303389 0.26057333163959 15.999 2 O 0.27821657696611 0.89828941731115 0.26057333163959 15.999 3 O 0.10171058268885 0.37992715965496 0.26057333163959 15.999 4 O 0.37992715965496 0.27821657696611 0.73942666836041 15.999 5 O 0.89828941731115 0.62007284034504 0.73942666836041 15.999 6 O 0.72178342303389 0.10171058268885 0.73942666836041 15.999 7 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 8 K 0.66666666666667 0.33333333333333 0.37948152971047 39.098 9 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 10 K 0.33333333333333 0.66666666666667 0.62051847028953 39.098 11 Te 0.33333333333333 0.66666666666667 0.13815371673560 127.600 12 Te 0.66666666666667 0.33333333333333 0.86184628326441 127.600 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.653553999735346 0.000000000000000 0.000000000000000 b -6.326776999867672 10.958299211929001 0.000000000000000 c 0.000000000000000 0.000000000000000 14.072490360000000 Atomic positions (fractional): 1 O 0.31003642017252 0.36089171151694 0.13028666581980 15.999 > 1 2 O 0.81003642017252 0.36089171151694 0.13028666581980 15.999 > 1 3 O 0.31003642017252 0.86089171151694 0.13028666581980 15.999 > 1 4 O 0.81003642017252 0.86089171151694 0.13028666581980 15.999 > 1 5 O 0.31003642017252 0.36089171151694 0.63028666581979 15.999 > 1 6 O 0.81003642017252 0.36089171151694 0.63028666581979 15.999 > 1 7 O 0.31003642017252 0.86089171151694 0.63028666581979 15.999 > 1 8 O 0.81003642017252 0.86089171151694 0.63028666581979 15.999 > 1 9 O 0.13910828848306 0.44914470865558 0.13028666581980 15.999 > 9 10 O 0.63910828848306 0.44914470865558 0.13028666581980 15.999 > 9 11 O 0.13910828848306 0.94914470865558 0.13028666581980 15.999 > 9 12 O 0.63910828848306 0.94914470865558 0.13028666581980 15.999 > 9 13 O 0.13910828848306 0.44914470865558 0.63028666581979 15.999 > 9 14 O 0.63910828848306 0.44914470865558 0.63028666581979 15.999 > 9 15 O 0.13910828848306 0.94914470865558 0.63028666581979 15.999 > 9 16 O 0.63910828848306 0.94914470865558 0.63028666581979 15.999 > 9 17 O 0.05085529134442 0.18996357982748 0.13028666581980 15.999 > 17 18 O 0.55085529134442 0.18996357982748 0.13028666581980 15.999 > 17 19 O 0.05085529134442 0.68996357982748 0.13028666581980 15.999 > 17 20 O 0.55085529134442 0.68996357982748 0.13028666581980 15.999 > 17 21 O 0.05085529134442 0.18996357982748 0.63028666581979 15.999 > 17 22 O 0.55085529134442 0.18996357982748 0.63028666581979 15.999 > 17 23 O 0.05085529134442 0.68996357982748 0.63028666581979 15.999 > 17 24 O 0.55085529134442 0.68996357982748 0.63028666581979 15.999 > 17 25 O 0.18996357982748 0.13910828848306 0.36971333418021 15.999 > 25 26 O 0.68996357982748 0.13910828848306 0.36971333418021 15.999 > 25 27 O 0.18996357982748 0.63910828848306 0.36971333418021 15.999 > 25 28 O 0.68996357982748 0.63910828848306 0.36971333418021 15.999 > 25 29 O 0.18996357982748 0.13910828848306 0.86971333418021 15.999 > 25 30 O 0.68996357982748 0.13910828848306 0.86971333418021 15.999 > 25 31 O 0.18996357982748 0.63910828848306 0.86971333418021 15.999 > 25 32 O 0.68996357982748 0.63910828848306 0.86971333418021 15.999 > 25 33 O 0.44914470865558 0.31003642017252 0.36971333418021 15.999 > 33 34 O 0.94914470865558 0.31003642017252 0.36971333418021 15.999 > 33 35 O 0.44914470865558 0.81003642017252 0.36971333418021 15.999 > 33 36 O 0.94914470865558 0.81003642017252 0.36971333418021 15.999 > 33 37 O 0.44914470865558 0.31003642017252 0.86971333418021 15.999 > 33 38 O 0.94914470865558 0.31003642017252 0.86971333418021 15.999 > 33 39 O 0.44914470865558 0.81003642017252 0.86971333418021 15.999 > 33 40 O 0.94914470865558 0.81003642017252 0.86971333418021 15.999 > 33 41 O 0.36089171151694 0.05085529134442 0.36971333418021 15.999 > 41 42 O 0.86089171151694 0.05085529134442 0.36971333418021 15.999 > 41 43 O 0.36089171151694 0.55085529134442 0.36971333418021 15.999 > 41 44 O 0.86089171151694 0.55085529134442 0.36971333418021 15.999 > 41 45 O 0.36089171151694 0.05085529134442 0.86971333418021 15.999 > 41 46 O 0.86089171151694 0.05085529134442 0.86971333418021 15.999 > 41 47 O 0.36089171151694 0.55085529134442 0.86971333418021 15.999 > 41 48 O 0.86089171151694 0.55085529134442 0.86971333418021 15.999 > 41 49 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 > 49 50 K 0.50000000000000 0.00000000000000 0.00000000000000 39.098 > 49 51 K 0.00000000000000 0.50000000000000 0.00000000000000 39.098 > 49 52 K 0.50000000000000 0.50000000000000 0.00000000000000 39.098 > 49 53 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 49 54 K 0.50000000000000 0.00000000000000 0.50000000000000 39.098 > 49 55 K 0.00000000000000 0.50000000000000 0.50000000000000 39.098 > 49 56 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 > 49 57 K 0.33333333333333 0.16666666666667 0.18974076485523 39.098 > 57 58 K 0.83333333333333 0.16666666666667 0.18974076485523 39.098 > 57 59 K 0.33333333333333 0.66666666666667 0.18974076485523 39.098 > 57 60 K 0.83333333333333 0.66666666666667 0.18974076485523 39.098 > 57 61 K 0.33333333333333 0.16666666666667 0.68974076485523 39.098 > 57 62 K 0.83333333333333 0.16666666666667 0.68974076485523 39.098 > 57 63 K 0.33333333333333 0.66666666666667 0.68974076485523 39.098 > 57 64 K 0.83333333333333 0.66666666666667 0.68974076485523 39.098 > 57 65 K 0.00000000000000 0.00000000000000 0.25000000000000 39.098 > 65 66 K 0.50000000000000 0.00000000000000 0.25000000000000 39.098 > 65 67 K 0.00000000000000 0.50000000000000 0.25000000000000 39.098 > 65 68 K 0.50000000000000 0.50000000000000 0.25000000000000 39.098 > 65 69 K 0.00000000000000 0.00000000000000 0.75000000000000 39.098 > 65 70 K 0.50000000000000 0.00000000000000 0.75000000000000 39.098 > 65 71 K 0.00000000000000 0.50000000000000 0.75000000000000 39.098 > 65 72 K 0.50000000000000 0.50000000000000 0.75000000000000 39.098 > 65 73 K 0.16666666666667 0.33333333333333 0.31025923514477 39.098 > 73 74 K 0.66666666666667 0.33333333333333 0.31025923514477 39.098 > 73 75 K 0.16666666666667 0.83333333333333 0.31025923514477 39.098 > 73 76 K 0.66666666666667 0.83333333333333 0.31025923514477 39.098 > 73 77 K 0.16666666666667 0.33333333333333 0.81025923514477 39.098 > 73 78 K 0.66666666666667 0.33333333333333 0.81025923514477 39.098 > 73 79 K 0.16666666666667 0.83333333333333 0.81025923514477 39.098 > 73 80 K 0.66666666666667 0.83333333333333 0.81025923514477 39.098 > 73 81 Te 0.16666666666667 0.33333333333333 0.06907685836780 127.600 > 81 82 Te 0.66666666666667 0.33333333333333 0.06907685836780 127.600 > 81 83 Te 0.16666666666667 0.83333333333333 0.06907685836780 127.600 > 81 84 Te 0.66666666666667 0.83333333333333 0.06907685836780 127.600 > 81 85 Te 0.16666666666667 0.33333333333333 0.56907685836780 127.600 > 81 86 Te 0.66666666666667 0.33333333333333 0.56907685836780 127.600 > 81 87 Te 0.16666666666667 0.83333333333333 0.56907685836780 127.600 > 81 88 Te 0.66666666666667 0.83333333333333 0.56907685836780 127.600 > 81 89 Te 0.33333333333333 0.16666666666667 0.43092314163220 127.600 > 89 90 Te 0.83333333333333 0.16666666666667 0.43092314163220 127.600 > 89 91 Te 0.33333333333333 0.66666666666667 0.43092314163220 127.600 > 89 92 Te 0.83333333333333 0.66666666666667 0.43092314163220 127.600 > 89 93 Te 0.33333333333333 0.16666666666667 0.93092314163220 127.600 > 89 94 Te 0.83333333333333 0.16666666666667 0.93092314163220 127.600 > 89 95 Te 0.33333333333333 0.66666666666667 0.93092314163220 127.600 > 89 96 Te 0.83333333333333 0.66666666666667 0.93092314163220 127.600 > 89 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9437168 0.0000006 0.0000000 -0.0000006 2.9437168 0.0000000 0.0000000 0.0000000 2.7336403 -------------------------- Born effective charges -------------------------- 1 O -2.1646716 -0.1795665 -0.6382753 -0.1312831 -1.1021906 -0.1458355 -0.1299839 -0.0582017 -1.2826141 2 O -1.5024126 0.5136385 0.4454349 0.5619219 -1.7644496 -0.4798449 0.1153961 -0.0834685 -1.2826141 3 O -1.2332090 -0.4064971 0.1928404 -0.3582137 -2.0336531 0.6256804 0.0145878 0.1416702 -1.2826141 4 O -2.1646716 -0.1795665 -0.6382753 -0.1312831 -1.1021906 -0.1458355 -0.1299839 -0.0582017 -1.2826141 5 O -1.2332090 -0.4064971 0.1928404 -0.3582137 -2.0336531 0.6256804 0.0145878 0.1416702 -1.2826141 6 O -1.5024126 0.5136385 0.4454349 0.5619219 -1.7644496 -0.4798449 0.1153961 -0.0834685 -1.2826141 7 K 1.3018067 0.0705660 0.0000000 -0.0705660 1.3018067 0.0000000 0.0000000 -0.0000000 0.9980247 8 K 1.0972357 -0.0769581 0.0000000 0.0769581 1.0972357 0.0000000 0.0000000 -0.0000000 1.3103303 9 K 1.3252844 0.1292981 0.0000000 -0.1292981 1.3252844 0.0000000 0.0000000 -0.0000000 1.3780028 10 K 1.0972357 -0.0769581 0.0000000 0.0769581 1.0972357 0.0000000 0.0000000 -0.0000000 1.3103303 11 Te 2.4895120 0.0494511 0.0000000 -0.0494511 2.4895120 0.0000000 0.0000000 -0.0000000 1.3494983 12 Te 2.4895120 0.0494511 0.0000000 -0.0494511 2.4895120 0.0000000 0.0000000 -0.0000000 1.3494983 ---------------------------------------------------------------------------- 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] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000038 (yyz) 0.00000038 (yyz) 0.00000038 (yzy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000137 (xy) -0.00000137 (xy) 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 2026-01-07 23:00:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:00:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3 (147) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.326776999867673 0.000000000000000 0.000000000000000 b -3.163388499933836 5.479149605964500 0.000000000000000 c 0.000000000000000 0.000000000000000 7.036245180000000 Atomic positions (fractional): 1 O 0.62007284034504 0.72178342303389 0.26057333163959 15.999 2 O 0.27821657696611 0.89828941731115 0.26057333163959 15.999 3 O 0.10171058268885 0.37992715965496 0.26057333163959 15.999 4 O 0.37992715965496 0.27821657696611 0.73942666836041 15.999 5 O 0.89828941731115 0.62007284034504 0.73942666836041 15.999 6 O 0.72178342303389 0.10171058268885 0.73942666836041 15.999 7 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 8 K 0.66666666666667 0.33333333333333 0.37948152971047 39.098 9 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 10 K 0.33333333333333 0.66666666666667 0.62051847028953 39.098 11 Te 0.33333333333333 0.66666666666667 0.13815371673560 127.600 12 Te 0.66666666666667 0.33333333333333 0.86184628326441 127.600 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.653553999735346 0.000000000000000 0.000000000000000 b -6.326776999867672 10.958299211929001 0.000000000000000 c 0.000000000000000 0.000000000000000 14.072490360000000 Atomic positions (fractional): 1 O 0.31003642017252 0.36089171151694 0.13028666581980 15.999 > 1 2 O 0.81003642017252 0.36089171151694 0.13028666581980 15.999 > 1 3 O 0.31003642017252 0.86089171151694 0.13028666581980 15.999 > 1 4 O 0.81003642017252 0.86089171151694 0.13028666581980 15.999 > 1 5 O 0.31003642017252 0.36089171151694 0.63028666581979 15.999 > 1 6 O 0.81003642017252 0.36089171151694 0.63028666581979 15.999 > 1 7 O 0.31003642017252 0.86089171151694 0.63028666581979 15.999 > 1 8 O 0.81003642017252 0.86089171151694 0.63028666581979 15.999 > 1 9 O 0.13910828848306 0.44914470865558 0.13028666581980 15.999 > 9 10 O 0.63910828848306 0.44914470865558 0.13028666581980 15.999 > 9 11 O 0.13910828848306 0.94914470865558 0.13028666581980 15.999 > 9 12 O 0.63910828848306 0.94914470865558 0.13028666581980 15.999 > 9 13 O 0.13910828848306 0.44914470865558 0.63028666581979 15.999 > 9 14 O 0.63910828848306 0.44914470865558 0.63028666581979 15.999 > 9 15 O 0.13910828848306 0.94914470865558 0.63028666581979 15.999 > 9 16 O 0.63910828848306 0.94914470865558 0.63028666581979 15.999 > 9 17 O 0.05085529134442 0.18996357982748 0.13028666581980 15.999 > 17 18 O 0.55085529134442 0.18996357982748 0.13028666581980 15.999 > 17 19 O 0.05085529134442 0.68996357982748 0.13028666581980 15.999 > 17 20 O 0.55085529134442 0.68996357982748 0.13028666581980 15.999 > 17 21 O 0.05085529134442 0.18996357982748 0.63028666581979 15.999 > 17 22 O 0.55085529134442 0.18996357982748 0.63028666581979 15.999 > 17 23 O 0.05085529134442 0.68996357982748 0.63028666581979 15.999 > 17 24 O 0.55085529134442 0.68996357982748 0.63028666581979 15.999 > 17 25 O 0.18996357982748 0.13910828848306 0.36971333418021 15.999 > 25 26 O 0.68996357982748 0.13910828848306 0.36971333418021 15.999 > 25 27 O 0.18996357982748 0.63910828848306 0.36971333418021 15.999 > 25 28 O 0.68996357982748 0.63910828848306 0.36971333418021 15.999 > 25 29 O 0.18996357982748 0.13910828848306 0.86971333418021 15.999 > 25 30 O 0.68996357982748 0.13910828848306 0.86971333418021 15.999 > 25 31 O 0.18996357982748 0.63910828848306 0.86971333418021 15.999 > 25 32 O 0.68996357982748 0.63910828848306 0.86971333418021 15.999 > 25 33 O 0.44914470865558 0.31003642017252 0.36971333418021 15.999 > 33 34 O 0.94914470865558 0.31003642017252 0.36971333418021 15.999 > 33 35 O 0.44914470865558 0.81003642017252 0.36971333418021 15.999 > 33 36 O 0.94914470865558 0.81003642017252 0.36971333418021 15.999 > 33 37 O 0.44914470865558 0.31003642017252 0.86971333418021 15.999 > 33 38 O 0.94914470865558 0.31003642017252 0.86971333418021 15.999 > 33 39 O 0.44914470865558 0.81003642017252 0.86971333418021 15.999 > 33 40 O 0.94914470865558 0.81003642017252 0.86971333418021 15.999 > 33 41 O 0.36089171151694 0.05085529134442 0.36971333418021 15.999 > 41 42 O 0.86089171151694 0.05085529134442 0.36971333418021 15.999 > 41 43 O 0.36089171151694 0.55085529134442 0.36971333418021 15.999 > 41 44 O 0.86089171151694 0.55085529134442 0.36971333418021 15.999 > 41 45 O 0.36089171151694 0.05085529134442 0.86971333418021 15.999 > 41 46 O 0.86089171151694 0.05085529134442 0.86971333418021 15.999 > 41 47 O 0.36089171151694 0.55085529134442 0.86971333418021 15.999 > 41 48 O 0.86089171151694 0.55085529134442 0.86971333418021 15.999 > 41 49 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 > 49 50 K 0.50000000000000 0.00000000000000 0.00000000000000 39.098 > 49 51 K 0.00000000000000 0.50000000000000 0.00000000000000 39.098 > 49 52 K 0.50000000000000 0.50000000000000 0.00000000000000 39.098 > 49 53 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 49 54 K 0.50000000000000 0.00000000000000 0.50000000000000 39.098 > 49 55 K 0.00000000000000 0.50000000000000 0.50000000000000 39.098 > 49 56 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 > 49 57 K 0.33333333333333 0.16666666666667 0.18974076485523 39.098 > 57 58 K 0.83333333333333 0.16666666666667 0.18974076485523 39.098 > 57 59 K 0.33333333333333 0.66666666666667 0.18974076485523 39.098 > 57 60 K 0.83333333333333 0.66666666666667 0.18974076485523 39.098 > 57 61 K 0.33333333333333 0.16666666666667 0.68974076485523 39.098 > 57 62 K 0.83333333333333 0.16666666666667 0.68974076485523 39.098 > 57 63 K 0.33333333333333 0.66666666666667 0.68974076485523 39.098 > 57 64 K 0.83333333333333 0.66666666666667 0.68974076485523 39.098 > 57 65 K 0.00000000000000 0.00000000000000 0.25000000000000 39.098 > 65 66 K 0.50000000000000 0.00000000000000 0.25000000000000 39.098 > 65 67 K 0.00000000000000 0.50000000000000 0.25000000000000 39.098 > 65 68 K 0.50000000000000 0.50000000000000 0.25000000000000 39.098 > 65 69 K 0.00000000000000 0.00000000000000 0.75000000000000 39.098 > 65 70 K 0.50000000000000 0.00000000000000 0.75000000000000 39.098 > 65 71 K 0.00000000000000 0.50000000000000 0.75000000000000 39.098 > 65 72 K 0.50000000000000 0.50000000000000 0.75000000000000 39.098 > 65 73 K 0.16666666666667 0.33333333333333 0.31025923514477 39.098 > 73 74 K 0.66666666666667 0.33333333333333 0.31025923514477 39.098 > 73 75 K 0.16666666666667 0.83333333333333 0.31025923514477 39.098 > 73 76 K 0.66666666666667 0.83333333333333 0.31025923514477 39.098 > 73 77 K 0.16666666666667 0.33333333333333 0.81025923514477 39.098 > 73 78 K 0.66666666666667 0.33333333333333 0.81025923514477 39.098 > 73 79 K 0.16666666666667 0.83333333333333 0.81025923514477 39.098 > 73 80 K 0.66666666666667 0.83333333333333 0.81025923514477 39.098 > 73 81 Te 0.16666666666667 0.33333333333333 0.06907685836780 127.600 > 81 82 Te 0.66666666666667 0.33333333333333 0.06907685836780 127.600 > 81 83 Te 0.16666666666667 0.83333333333333 0.06907685836780 127.600 > 81 84 Te 0.66666666666667 0.83333333333333 0.06907685836780 127.600 > 81 85 Te 0.16666666666667 0.33333333333333 0.56907685836780 127.600 > 81 86 Te 0.66666666666667 0.33333333333333 0.56907685836780 127.600 > 81 87 Te 0.16666666666667 0.83333333333333 0.56907685836780 127.600 > 81 88 Te 0.66666666666667 0.83333333333333 0.56907685836780 127.600 > 81 89 Te 0.33333333333333 0.16666666666667 0.43092314163220 127.600 > 89 90 Te 0.83333333333333 0.16666666666667 0.43092314163220 127.600 > 89 91 Te 0.33333333333333 0.66666666666667 0.43092314163220 127.600 > 89 92 Te 0.83333333333333 0.66666666666667 0.43092314163220 127.600 > 89 93 Te 0.33333333333333 0.16666666666667 0.93092314163220 127.600 > 89 94 Te 0.83333333333333 0.16666666666667 0.93092314163220 127.600 > 89 95 Te 0.33333333333333 0.66666666666667 0.93092314163220 127.600 > 89 96 Te 0.83333333333333 0.66666666666667 0.93092314163220 127.600 > 89 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.9437168 0.0000006 0.0000000 -0.0000006 2.9437168 0.0000000 0.0000000 0.0000000 2.7336403 -------------------------- Born effective charges -------------------------- 1 O -2.1646716 -0.1795665 -0.6382753 -0.1312831 -1.1021906 -0.1458355 -0.1299839 -0.0582017 -1.2826141 2 O -1.5024126 0.5136385 0.4454349 0.5619219 -1.7644496 -0.4798449 0.1153961 -0.0834685 -1.2826141 3 O -1.2332090 -0.4064971 0.1928404 -0.3582137 -2.0336531 0.6256804 0.0145878 0.1416702 -1.2826141 4 O -2.1646716 -0.1795665 -0.6382753 -0.1312831 -1.1021906 -0.1458355 -0.1299839 -0.0582017 -1.2826141 5 O -1.2332090 -0.4064971 0.1928404 -0.3582137 -2.0336531 0.6256804 0.0145878 0.1416702 -1.2826141 6 O -1.5024126 0.5136385 0.4454349 0.5619219 -1.7644496 -0.4798449 0.1153961 -0.0834685 -1.2826141 7 K 1.3018067 0.0705660 0.0000000 -0.0705660 1.3018067 0.0000000 0.0000000 -0.0000000 0.9980247 8 K 1.0972357 -0.0769581 0.0000000 0.0769581 1.0972357 0.0000000 0.0000000 -0.0000000 1.3103303 9 K 1.3252844 0.1292981 0.0000000 -0.1292981 1.3252844 0.0000000 0.0000000 -0.0000000 1.3780028 10 K 1.0972357 -0.0769581 0.0000000 0.0769581 1.0972357 0.0000000 0.0000000 -0.0000000 1.3103303 11 Te 2.4895120 0.0494511 0.0000000 -0.0494511 2.4895120 0.0000000 0.0000000 -0.0000000 1.3494983 12 Te 2.4895120 0.0494511 0.0000000 -0.0494511 2.4895120 0.0000000 0.0000000 -0.0000000 1.3494983 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000038 (yyz) 0.00000038 (yyz) 0.00000038 (yzy) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 7 ] 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 (1/102) ======================= 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 2.84e-04 2.84e-04 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.059 ( 0.000 0.000 0.000) 0.000 2.059 ( 0.000 0.000 0.000) 0.000 2.651 ( 0.000 0.000 0.000) 0.000 2.835 ( 0.000 0.000 0.000) 0.000 2.835 ( 0.000 0.000 0.000) 0.000 2.894 ( 0.000 0.000 0.000) 0.000 2.894 ( 0.000 0.000 0.000) 0.000 3.020 ( 0.000 0.000 0.000) 0.000 3.279 ( 0.000 0.000 0.000) 0.000 3.279 ( 0.000 0.000 0.000) 0.000 3.782 ( 0.000 0.000 0.000) 0.000 3.941 ( 0.000 0.000 0.000) 0.000 4.038 ( 0.000 0.000 0.000) 0.000 4.038 ( 0.000 0.000 0.000) 0.000 4.164 ( 0.000 0.000 0.000) 0.000 4.164 ( 0.000 0.000 0.000) 0.000 4.481 ( 0.000 0.000 0.000) 0.000 4.481 ( 0.000 0.000 0.000) 0.000 4.545 ( 0.000 0.000 0.000) 0.000 4.691 ( 0.000 0.000 0.000) 0.000 5.185 ( 0.000 0.000 0.000) 0.000 8.725 ( 0.000 0.000 0.000) 0.000 8.725 ( 0.000 0.000 0.000) 0.000 8.819 ( 0.000 0.000 0.000) 0.000 8.819 ( 0.000 0.000 0.000) 0.000 9.335 ( 0.000 0.000 0.000) 0.000 10.279 ( 0.000 0.000 0.000) 0.000 20.914 ( 0.000 0.000 0.000) 0.000 20.914 ( 0.000 0.000 0.000) 0.000 20.940 ( 0.000 0.000 0.000) 0.000 20.940 ( 0.000 0.000 0.000) 0.000 22.244 ( 0.000 0.000 0.000) 0.000 22.397 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/102) ======================= q-point: ( 0.11 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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.333 ( 14.389 8.151 2.380) 16.708 0.393 ( 17.109 9.361 4.889) 20.106 0.793 ( 32.340 18.982 -3.411) 37.655 2.031 ( -3.711 1.272 -0.962) 4.039 2.079 ( 2.935 -1.758 1.425) 3.706 2.535 ( -7.436 -4.390 -0.319) 8.641 2.680 ( -8.447 -7.228 1.312) 11.194 2.802 ( -4.859 4.041 -0.470) 6.337 2.955 ( 3.069 -7.177 1.020) 7.872 3.080 ( 1.149 6.790 0.453) 6.901 3.147 ( 0.157 -1.290 -2.383) 2.715 3.288 ( 1.934 0.491 1.957) 2.795 3.320 ( -4.501 -2.560 -2.482) 5.743 3.756 ( -1.533 0.490 5.254) 5.495 3.934 ( -5.943 -3.361 -1.622) 7.017 3.986 ( 1.722 0.672 -0.127) 1.853 4.023 ( 1.457 -0.637 -4.602) 4.869 4.169 ( -5.038 -1.520 -2.019) 5.636 4.199 ( -0.397 -0.252 -0.051) 0.473 4.507 ( 4.993 1.081 0.819) 5.174 4.707 ( 4.077 5.374 -4.758) 8.254 4.773 ( 8.328 3.047 7.203) 11.425 5.162 ( -2.031 -1.091 4.709) 5.243 5.421 ( -4.599 -2.769 -3.767) 6.558 8.740 ( 1.371 0.772 -0.256) 1.594 8.810 ( -0.411 -1.025 -0.076) 1.107 8.838 ( 1.074 1.527 0.199) 1.877 9.192 ( 0.205 0.100 -1.302) 1.322 9.353 ( 1.613 0.866 1.511) 2.374 10.248 ( -2.616 -1.510 0.009) 3.021 20.910 ( 0.579 -1.011 0.832) 1.432 20.958 ( 0.191 3.638 -0.757) 3.721 20.975 ( 3.300 -0.280 0.022) 3.312 22.252 ( 0.565 0.323 0.301) 0.718 22.381 ( -1.267 -0.731 0.009) 1.463 22.460 ( -0.968 -0.557 -0.569) 1.253 ======================= Grid point 2 (3/102) ======================= q-point: ( 0.22 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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.671 ( 14.539 8.266 2.311) 16.883 0.780 ( 16.233 7.851 4.044) 18.480 1.474 ( 23.657 14.500 -3.302) 27.943 1.968 ( -4.868 1.530 -1.046) 5.208 2.116 ( 3.730 -2.763 1.076) 4.765 2.363 ( -6.927 -3.523 -0.684) 7.801 2.438 ( -9.997 -7.054 1.546) 12.333 2.719 ( -11.151 -12.208 2.251) 16.687 2.766 ( -7.695 1.891 -2.145) 8.209 2.983 ( -8.144 -3.748 -4.587) 10.070 3.204 ( 4.952 3.430 2.153) 6.397 3.268 ( -0.364 -0.675 0.531) 0.933 3.411 ( 6.334 0.302 2.172) 6.703 3.715 ( -8.007 4.883 3.131) 9.887 3.888 ( 5.723 -2.627 -0.093) 6.298 3.960 ( -0.217 -4.269 -2.806) 5.113 4.039 ( -0.914 -0.835 -0.139) 1.245 4.131 ( 0.979 5.911 -4.461) 7.470 4.264 ( 3.910 3.013 -0.825) 5.005 4.606 ( 6.396 -2.818 0.895) 7.046 4.790 ( -0.368 6.534 -2.881) 7.150 4.947 ( 6.808 1.705 5.060) 8.652 5.085 ( -5.234 -2.492 11.859) 13.200 5.285 ( -5.734 -4.058 -10.363) 12.520 8.785 ( 2.315 0.745 -0.637) 2.514 8.788 ( -0.619 -0.857 0.429) 1.141 8.879 ( 1.171 2.233 0.152) 2.526 9.196 ( 0.182 0.084 -2.366) 2.374 9.410 ( 3.488 1.644 2.601) 4.651 10.161 ( -4.681 -2.691 0.031) 5.399 20.915 ( 1.107 -1.023 0.478) 1.582 21.020 ( 2.236 2.950 -0.369) 3.720 21.040 ( 3.478 2.006 0.267) 4.024 22.266 ( 0.525 0.276 -0.493) 0.771 22.344 ( -1.735 -0.998 0.793) 2.153 22.424 ( -1.980 -1.135 -0.911) 2.457 ======================= Grid point 3 (4/102) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( 13.215 8.675 1.583) 15.887 1.073 ( 8.888 2.720 3.140) 9.811 1.810 ( 3.958 1.921 -4.321) 6.167 1.865 ( -6.832 -3.551 -0.285) 7.705 2.082 ( -7.710 -2.256 2.518) 8.419 2.208 ( -2.937 -6.603 0.851) 7.277 2.290 ( -2.990 0.814 -0.769) 3.193 2.491 ( 5.737 -5.669 -1.328) 8.174 2.682 ( -9.310 5.474 -1.316) 10.880 2.815 ( -5.754 -4.041 -0.753) 7.071 3.228 ( -2.375 1.303 -2.200) 3.490 3.326 ( 6.084 -3.900 5.518) 9.092 3.476 ( 0.960 3.008 0.236) 3.166 3.627 ( -4.341 0.281 1.767) 4.695 3.951 ( 2.237 -0.135 0.823) 2.387 3.987 ( 0.934 1.030 -2.043) 2.471 4.046 ( 4.031 1.833 -2.412) 5.042 4.231 ( 3.741 4.582 -0.680) 5.954 4.369 ( 4.336 2.319 -1.272) 5.079 4.659 ( 3.330 -3.816 0.540) 5.094 4.836 ( -1.128 4.831 -2.422) 5.521 4.912 ( -9.327 -4.651 9.739) 14.264 5.039 ( 2.835 -0.035 5.081) 5.819 5.178 ( -2.505 -2.366 -9.797) 10.385 8.764 ( -0.424 -1.179 -0.120) 1.258 8.835 ( 1.533 1.257 0.639) 2.083 8.921 ( 1.238 1.900 -0.431) 2.308 9.198 ( -0.058 0.005 -2.255) 2.256 9.506 ( 4.945 2.274 2.482) 5.982 10.038 ( -5.655 -3.203 -0.050) 6.499 20.927 ( 1.067 -0.448 0.079) 1.160 21.070 ( 1.953 -0.071 -0.187) 1.963 21.145 ( 3.840 4.503 0.775) 5.968 22.259 ( -1.452 -0.918 -3.610) 3.998 22.315 ( -0.329 -0.199 4.385) 4.402 22.376 ( -1.929 -1.084 -1.635) 2.752 ======================= Grid point 4 (5/102) ======================= q-point: ( 0.44 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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( -4.188 -2.027 0.543) 4.684 1.306 ( 10.534 4.638 1.259) 11.579 1.727 ( -5.560 -3.624 0.774) 6.682 1.766 ( -2.457 -0.562 -1.643) 3.008 1.957 ( -2.693 -0.367 -0.474) 2.759 2.215 ( -1.247 2.075 -0.232) 2.432 2.258 ( 9.414 -6.299 0.789) 11.354 2.467 ( -11.679 1.760 -0.628) 11.827 2.685 ( 6.245 -0.843 -1.213) 6.417 2.723 ( -3.688 2.098 0.321) 4.255 3.210 ( -0.349 0.093 -0.524) 0.637 3.346 ( 1.184 -2.522 1.287) 3.069 3.524 ( -1.432 3.565 2.103) 4.380 3.598 ( 2.149 -1.022 -0.820) 2.517 3.943 ( -1.363 -0.489 0.169) 1.458 4.017 ( 0.832 1.176 -0.335) 1.479 4.147 ( 2.536 2.131 -2.873) 4.385 4.344 ( 4.083 2.054 2.180) 5.064 4.458 ( 4.477 1.061 -0.851) 4.679 4.630 ( -6.181 -0.750 0.788) 6.276 4.715 ( -2.171 -5.236 1.623) 5.896 4.865 ( -0.547 2.216 -0.144) 2.287 5.063 ( 0.576 -0.301 1.763) 1.878 5.138 ( -0.618 -0.706 -3.163) 3.299 8.751 ( -0.150 -0.437 -0.042) 0.464 8.860 ( 0.378 0.511 0.461) 0.785 8.954 ( 0.674 0.731 -0.349) 1.054 9.196 ( -0.091 -0.024 -0.910) 0.915 9.611 ( 3.578 1.730 1.159) 4.140 9.918 ( -3.782 -2.087 -0.194) 4.324 20.939 ( 0.489 -0.080 -0.022) 0.496 21.091 ( 0.606 -0.160 -0.068) 0.631 21.236 ( 1.970 2.041 0.489) 2.879 22.217 ( -1.323 -0.820 -1.530) 2.183 22.321 ( 0.607 0.294 3.848) 3.907 22.341 ( -1.115 -0.581 -2.791) 3.061 ======================= Grid point 10 (6/102) ======================= q-point: ( 0.11 0.11 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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.523 ( 7.620 13.866 0.892) 15.847 0.729 ( 9.122 17.706 -3.675) 20.254 1.313 ( 16.557 27.374 0.790) 32.001 1.992 ( 2.755 -5.016 2.120) 6.103 2.087 ( -4.283 2.954 -1.080) 5.314 2.407 ( -4.066 -7.429 -0.078) 8.469 2.506 ( -7.252 -9.888 1.783) 12.391 2.756 ( 0.783 -7.639 -3.127) 8.292 2.879 ( -14.312 -3.948 4.389) 15.481 3.005 ( 5.497 -14.454 2.647) 15.689 3.123 ( -4.424 3.081 -7.158) 8.961 3.268 ( 0.173 -1.501 3.206) 3.545 3.404 ( 2.858 9.327 -3.201) 10.267 3.711 ( 4.323 -2.796 3.005) 5.961 3.924 ( 0.090 0.029 0.287) 0.302 3.992 ( -5.927 4.097 1.910) 7.454 4.034 ( 0.570 0.562 0.511) 0.950 4.153 ( 3.792 -2.250 -0.786) 4.479 4.250 ( 4.330 3.035 -0.057) 5.288 4.481 ( -4.339 1.671 -3.416) 5.770 4.818 ( 6.817 1.697 3.359) 7.786 4.892 ( 0.976 8.134 -3.037) 8.737 5.132 ( -0.739 -2.094 -1.310) 2.578 5.311 ( -4.871 -7.373 -0.236) 8.840 8.766 ( 0.888 1.751 -0.532) 2.034 8.805 ( -0.994 0.214 0.467) 1.119 8.869 ( 2.477 1.485 0.033) 2.888 9.186 ( -0.315 -0.445 6.235) 6.258 9.393 ( 1.522 3.092 -5.717) 6.676 10.189 ( -2.430 -4.219 -0.125) 4.871 20.931 ( -1.987 3.064 -0.016) 3.652 20.966 ( 3.734 -0.225 -0.555) 3.781 21.038 ( 1.979 3.628 -0.472) 4.159 22.263 ( 0.387 0.701 0.323) 0.864 22.355 ( -1.024 -1.778 0.189) 2.060 22.435 ( -1.083 -1.885 0.788) 2.312 ======================= Grid point 11 (7/102) ======================= q-point: ( 0.22 0.11 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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( 12.714 10.932 1.700) 16.853 1.047 ( 7.927 14.454 -0.020) 16.485 1.753 ( 6.454 9.824 -2.105) 11.941 1.975 ( -6.564 -4.142 -3.107) 8.360 2.056 ( 4.834 1.183 3.498) 6.083 2.253 ( -7.758 -11.481 2.728) 14.122 2.284 ( -2.032 -4.322 0.281) 4.784 2.481 ( -11.941 -9.491 2.591) 15.472 2.719 ( -0.263 -9.444 -3.414) 10.045 2.924 ( -3.963 0.995 -1.173) 4.251 3.148 ( 4.909 -1.666 0.646) 5.224 3.261 ( 0.002 -1.227 1.591) 2.009 3.532 ( 0.709 8.612 -1.732) 8.813 3.782 ( -1.892 -0.041 5.727) 6.032 3.909 ( -1.322 4.985 0.534) 5.185 3.974 ( 2.044 4.351 -1.756) 5.117 4.022 ( -0.181 -1.154 -0.261) 1.197 4.243 ( 2.550 4.512 -4.967) 7.178 4.351 ( 1.738 5.049 -0.769) 5.395 4.472 ( 6.810 -7.070 0.676) 9.840 4.886 ( 0.076 0.066 -0.989) 0.994 4.974 ( 1.078 1.168 -0.755) 1.760 5.070 ( -7.032 0.790 13.627) 15.355 5.153 ( -0.687 -7.853 -12.156) 14.488 8.776 ( -1.032 0.610 -0.746) 1.412 8.822 ( 1.598 1.838 0.915) 2.602 8.927 ( 1.525 2.255 -0.020) 2.722 9.177 ( 0.592 -1.670 3.277) 3.726 9.467 ( 2.864 3.837 -2.662) 5.478 10.084 ( -4.124 -4.859 -0.358) 6.383 20.937 ( -0.886 3.108 -0.017) 3.232 21.030 ( 3.016 0.534 -0.633) 3.128 21.122 ( 3.345 3.464 0.080) 4.816 22.273 ( -0.316 0.345 -1.874) 1.932 22.315 ( -0.993 -1.907 2.492) 3.291 22.388 ( -1.532 -2.281 0.134) 2.751 ======================= Grid point 12 (8/102) ======================= q-point: ( 0.33 0.11 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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( 10.577 10.103 1.804) 14.737 1.230 ( -2.712 8.458 1.167) 8.958 1.742 ( -3.859 -7.202 -0.143) 8.172 1.807 ( -2.781 -1.561 -4.606) 5.602 1.995 ( -5.321 -10.679 3.436) 12.416 2.074 ( -0.910 -2.044 4.569) 5.087 2.255 ( -3.395 -3.407 0.068) 4.810 2.441 ( 10.059 -1.600 -2.375) 10.458 2.612 ( -1.666 -7.926 -1.529) 8.242 2.914 ( -4.892 11.316 -3.064) 12.703 3.204 ( 1.317 -2.111 3.370) 4.188 3.267 ( 4.313 -0.604 2.038) 4.809 3.602 ( -2.401 4.547 1.631) 5.394 3.661 ( -7.250 4.190 -0.401) 8.383 3.963 ( -0.894 -0.177 0.137) 0.922 4.019 ( 1.648 2.361 0.104) 2.881 4.123 ( 5.548 5.776 -3.161) 8.610 4.295 ( 1.041 1.857 -2.124) 3.007 4.428 ( 2.160 2.945 -0.860) 3.752 4.548 ( 8.860 -6.628 1.479) 11.163 4.800 ( -10.731 -3.037 0.731) 11.177 4.875 ( -1.464 -3.589 -0.023) 3.877 5.055 ( 1.151 0.708 3.406) 3.664 5.117 ( 0.702 -2.491 -4.498) 5.190 8.768 ( -0.984 1.406 -0.850) 1.915 8.862 ( 0.788 1.303 1.653) 2.247 8.963 ( 0.045 2.074 -0.042) 2.075 9.173 ( 1.159 -2.229 1.168) 2.770 9.569 ( 3.950 3.776 -0.879) 5.535 9.957 ( -4.307 -4.657 -0.791) 6.392 20.957 ( -0.719 3.352 -0.375) 3.449 21.078 ( 1.508 0.984 -0.107) 1.804 21.210 ( 3.036 1.509 0.411) 3.415 22.239 ( -2.206 -1.109 -2.803) 3.735 22.304 ( 0.909 -0.805 4.270) 4.439 22.346 ( -0.867 -1.734 -1.193) 2.276 ======================= Grid point 13 (9/102) ======================= q-point: ( 0.44 0.11 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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( -6.152 7.801 1.861) 10.108 1.402 ( 0.622 4.266 0.787) 4.383 1.662 ( 1.486 -1.674 -1.090) 2.489 1.756 ( -1.056 -1.156 -2.777) 3.188 1.927 ( 3.277 -2.825 1.575) 4.605 2.078 ( 7.760 -7.391 5.373) 11.988 2.203 ( 2.627 -3.580 -0.871) 4.525 2.435 ( -5.999 -3.634 1.541) 7.181 2.600 ( 5.478 -3.601 -2.349) 6.964 2.929 ( -7.855 10.958 -3.616) 13.959 3.191 ( 0.493 -1.179 1.723) 2.146 3.375 ( 4.639 4.490 4.457) 7.845 3.501 ( -5.372 -2.137 -1.598) 5.998 3.680 ( -2.256 5.500 -0.580) 5.973 3.938 ( -0.133 -0.548 -0.951) 1.106 4.043 ( -1.807 1.935 1.046) 2.847 4.183 ( -2.471 0.934 -1.528) 3.052 4.357 ( 1.147 -0.737 -1.076) 1.737 4.496 ( 5.683 0.996 -2.520) 6.296 4.580 ( -6.869 -3.759 0.101) 7.831 4.660 ( 6.317 0.253 0.780) 6.370 4.827 ( -0.556 -3.307 -0.139) 3.356 5.072 ( 0.303 -0.131 0.853) 0.914 5.116 ( 1.369 -1.297 -0.100) 1.889 8.771 ( -0.725 2.126 -1.003) 2.461 8.872 ( -0.697 0.553 1.451) 1.702 8.969 ( -1.061 0.896 0.480) 1.470 9.172 ( 1.259 -2.129 1.548) 2.918 9.644 ( -0.274 1.327 -1.551) 2.060 9.877 ( 0.853 -1.814 -0.889) 2.193 20.973 ( -1.408 3.186 -0.483) 3.517 21.105 ( 0.118 1.478 0.429) 1.544 21.235 ( -0.251 -2.081 -0.354) 2.125 22.210 ( 0.056 0.044 0.088) 0.113 22.314 ( 0.790 -1.078 0.395) 1.393 22.324 ( 0.256 -0.751 0.223) 0.824 ======================= Grid point 15 (10/102) ======================= q-point: (-0.44 0.11 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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( -9.047 -1.811 0.034) 9.226 1.287 ( -10.073 2.690 -1.565) 10.543 1.795 ( 5.676 5.033 -0.497) 7.603 1.826 ( 6.570 5.257 0.031) 8.415 1.939 ( 3.007 -1.981 1.932) 4.086 2.152 ( 7.108 -3.084 1.369) 7.869 2.254 ( 1.795 -6.863 1.768) 7.311 2.376 ( 10.594 -4.065 1.216) 11.412 2.612 ( -0.790 -2.999 0.066) 3.102 2.864 ( -8.219 7.521 -2.161) 11.348 3.199 ( 0.891 -0.143 1.638) 1.870 3.387 ( -2.980 -6.341 -4.900) 8.550 3.511 ( 1.326 10.703 4.402) 11.649 3.665 ( -3.689 3.432 -1.304) 5.205 3.958 ( 2.075 0.119 -0.560) 2.153 4.014 ( -3.150 2.573 0.277) 4.077 4.109 ( -4.648 -1.606 3.049) 5.786 4.272 ( -5.453 -4.515 -2.224) 7.420 4.448 ( -5.734 -0.487 1.103) 5.859 4.606 ( 6.346 -6.168 -5.893) 10.632 4.788 ( 0.288 -0.286 0.511) 0.653 4.835 ( 7.681 5.972 -1.969) 9.927 5.066 ( -0.195 -1.366 -1.869) 2.323 5.135 ( 2.049 -0.998 4.905) 5.409 8.783 ( -0.407 2.080 -0.972) 2.331 8.854 ( -1.533 -0.087 0.570) 1.638 8.944 ( -2.254 0.131 0.991) 2.466 9.174 ( 1.272 -1.893 3.429) 4.118 9.579 ( -5.174 -1.393 -3.550) 6.427 9.955 ( 6.283 1.397 -0.518) 6.457 20.972 ( -1.990 2.747 -0.240) 3.401 21.107 ( -1.711 0.985 0.465) 2.028 21.164 ( -3.251 -4.130 -1.258) 5.405 22.241 ( 2.060 1.397 2.887) 3.812 22.305 ( 0.180 -1.212 -4.020) 4.203 22.344 ( 1.987 -0.117 2.562) 3.244 ======================= Grid point 16 (11/102) ======================= q-point: (-0.33 0.11 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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( -15.211 -5.493 -0.764) 16.190 1.068 ( -16.604 -0.841 -3.297) 16.949 1.763 ( -15.768 -0.661 1.779) 15.882 1.906 ( 2.898 2.288 -0.228) 3.699 2.122 ( 4.256 -1.587 -0.470) 4.566 2.232 ( 9.229 -0.999 2.941) 9.738 2.304 ( 9.932 1.370 0.317) 10.031 2.574 ( 12.336 -2.749 -1.193) 12.695 2.645 ( 10.432 4.311 4.231) 12.055 2.848 ( 0.575 2.459 -0.280) 2.540 3.207 ( -0.603 -1.416 -1.162) 1.928 3.272 ( -1.702 -5.284 -2.652) 6.152 3.565 ( -6.737 3.351 -2.549) 7.945 3.654 ( -0.748 5.634 2.934) 6.396 3.979 ( -2.771 -0.095 1.524) 3.164 4.015 ( 0.616 -0.491 -1.141) 1.387 4.036 ( -0.046 3.735 1.591) 4.060 4.136 ( -5.543 -0.710 1.415) 5.764 4.341 ( -5.990 -0.371 1.231) 6.127 4.569 ( 1.315 -11.831 -5.165) 12.976 4.812 ( -0.639 4.545 2.320) 5.143 5.009 ( -0.622 -0.500 -0.250) 0.837 5.049 ( 3.097 4.585 -15.000) 15.988 5.179 ( 6.146 -2.723 11.348) 13.190 8.793 ( -0.264 0.329 -1.088) 1.167 8.819 ( -1.909 -0.135 0.770) 2.063 8.903 ( -2.693 0.809 0.493) 2.855 9.179 ( 1.078 -1.298 5.568) 5.818 9.474 ( -4.932 -1.005 -5.264) 7.283 10.083 ( 6.315 1.179 -0.358) 6.434 20.965 ( -1.771 2.474 0.085) 3.044 21.026 ( -3.882 -4.517 -1.052) 6.048 21.099 ( -3.211 0.867 -0.257) 3.336 22.274 ( -0.214 0.392 2.049) 2.097 22.315 ( 2.160 -0.095 -1.975) 2.928 22.388 ( 2.763 0.204 1.569) 3.184 ======================= Grid point 21 (12/102) ======================= q-point: ( 0.22 0.22 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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( 8.937 12.998 0.021) 15.774 1.295 ( 4.264 8.955 0.802) 9.951 1.833 ( -2.515 -3.407 -3.441) 5.457 1.849 ( -12.769 -5.833 0.391) 14.043 1.995 ( -5.791 -12.038 3.602) 13.835 2.110 ( 2.225 2.411 3.210) 4.590 2.169 ( 3.592 -6.271 0.896) 7.282 2.321 ( -4.799 -5.683 -0.135) 7.439 2.573 ( -1.653 -2.987 -0.840) 3.515 2.994 ( 8.251 5.603 0.790) 10.005 3.194 ( -1.868 2.503 -4.309) 5.322 3.246 ( -2.494 2.040 2.016) 3.801 3.667 ( 1.039 3.174 -0.674) 3.407 3.742 ( 3.560 -2.694 4.342) 6.228 3.972 ( 0.279 -2.864 -0.850) 3.000 4.037 ( -1.644 6.453 -1.135) 6.755 4.089 ( 3.884 4.888 1.812) 6.501 4.271 ( 8.432 -0.311 -1.523) 8.574 4.419 ( -5.721 1.904 -4.344) 7.431 4.441 ( -0.501 3.131 -0.380) 3.193 4.836 ( 1.223 -3.727 0.257) 3.931 4.936 ( -5.727 -8.094 -2.387) 10.198 5.009 ( 0.031 -0.199 -0.183) 0.272 5.111 ( -1.068 0.282 2.237) 2.495 8.798 ( -0.339 1.150 -1.494) 1.916 8.857 ( 1.285 1.534 1.454) 2.474 8.967 ( 2.429 1.714 0.458) 3.008 9.143 ( -1.110 -1.451 4.088) 4.478 9.558 ( 2.354 5.006 -3.472) 6.531 9.971 ( -3.407 -6.078 -0.874) 7.022 21.013 ( 0.667 2.937 0.655) 3.082 21.065 ( 0.493 3.658 -1.835) 4.122 21.165 ( 3.088 0.689 0.310) 3.179 22.263 ( -1.671 -2.627 -0.021) 3.113 22.283 ( 0.145 0.206 0.252) 0.356 22.343 ( -1.087 -1.975 1.074) 2.497 ======================= Grid point 22 (13/102) ======================= q-point: ( 0.33 0.22 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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( -6.344 3.619 1.393) 7.435 1.381 ( 9.325 9.250 1.982) 13.283 1.585 ( -1.118 -7.835 0.304) 7.921 1.747 ( -3.036 -4.643 1.034) 5.643 1.824 ( -1.698 -4.222 -0.403) 4.568 2.055 ( -2.218 -0.197 1.381) 2.620 2.193 ( -3.323 -0.475 1.194) 3.563 2.391 ( 11.361 -2.699 -0.856) 11.709 2.485 ( -3.383 -5.029 0.979) 6.139 3.119 ( -1.912 5.752 -2.585) 6.590 3.200 ( -2.228 2.695 0.098) 3.498 3.289 ( 6.625 2.235 1.251) 7.102 3.623 ( -5.857 -0.299 1.903) 6.165 3.772 ( -0.729 4.939 -0.877) 5.069 3.925 ( -0.874 -2.945 -1.002) 3.231 4.102 ( -0.540 5.373 0.882) 5.471 4.224 ( 3.936 2.694 -1.598) 5.030 4.302 ( -1.458 -1.668 -4.537) 5.049 4.427 ( 5.349 -3.375 0.577) 6.351 4.478 ( 3.429 1.848 -0.769) 3.970 4.706 ( -6.271 -7.002 1.394) 9.502 4.850 ( -2.589 3.033 -0.707) 4.050 5.027 ( 3.022 -2.598 -0.336) 3.999 5.088 ( -0.551 -1.570 0.970) 1.926 8.807 ( -0.543 1.894 -2.206) 2.958 8.884 ( 0.246 0.785 2.486) 2.619 9.006 ( -0.551 2.293 0.956) 2.544 9.119 ( 1.077 -2.894 2.501) 3.974 9.654 ( 2.285 4.507 -2.178) 5.502 9.854 ( -2.379 -5.291 -1.530) 5.999 21.046 ( -1.644 4.713 -0.313) 5.001 21.108 ( 1.316 1.802 -0.290) 2.250 21.203 ( 1.446 -1.951 0.063) 2.429 22.213 ( -1.037 -1.394 -0.361) 1.774 22.290 ( 0.676 -0.344 1.416) 1.607 22.314 ( -0.307 -1.329 -0.046) 1.365 ======================= Grid point 23 (14/102) ======================= q-point: (-0.56 0.22 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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( -6.830 4.747 1.028) 8.381 1.430 ( -6.495 -1.894 2.586) 7.243 1.653 ( 11.875 -3.229 -1.192) 12.364 1.749 ( 5.532 1.601 0.086) 5.760 1.837 ( 6.712 -3.685 1.582) 7.819 2.071 ( 1.592 3.906 -0.215) 4.223 2.139 ( -2.438 1.191 1.474) 3.087 2.338 ( -4.153 -5.465 2.755) 7.396 2.526 ( 5.785 -3.326 -0.750) 6.715 3.096 ( -6.733 5.101 -1.169) 8.527 3.196 ( -0.866 2.095 -0.124) 2.271 3.347 ( -0.616 -6.550 -2.289) 6.966 3.597 ( 0.980 7.812 3.603) 8.659 3.768 ( -4.205 2.682 -1.062) 5.100 3.920 ( 2.210 -0.509 -0.964) 2.464 4.115 ( -3.491 4.945 -0.597) 6.083 4.174 ( -4.567 -1.840 1.798) 5.241 4.328 ( -3.323 -0.836 -2.933) 4.511 4.412 ( 5.693 -6.040 -3.698) 9.087 4.524 ( -3.443 -3.794 -0.649) 5.164 4.693 ( 9.646 2.164 0.432) 9.895 4.844 ( -2.039 4.487 0.606) 4.965 5.027 ( 0.832 -3.789 0.380) 3.898 5.094 ( 2.205 -0.742 0.758) 2.447 8.812 ( -0.801 1.157 -2.376) 2.762 8.881 ( -1.097 0.351 2.263) 2.540 8.997 ( -2.457 1.838 1.313) 3.338 9.122 ( 2.097 -2.323 2.866) 4.244 9.658 ( -4.719 0.028 -2.769) 5.471 9.852 ( 5.709 -0.478 -1.322) 5.879 21.046 ( -2.788 3.203 -0.226) 4.252 21.140 ( -0.590 0.455 0.298) 0.802 21.171 ( -1.175 -2.319 -0.827) 2.729 22.214 ( 1.801 0.160 0.908) 2.023 22.291 ( -0.016 -0.808 -1.269) 1.505 22.313 ( 1.265 -0.342 1.616) 2.081 ======================= Grid point 31 (15/102) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( -2.713 -5.425 0.829) 6.122 1.425 ( 2.713 5.425 0.829) 6.122 1.497 ( 0.000 -0.000 5.451) 5.451 1.739 ( -1.536 -3.071 0.197) 3.440 1.739 ( 1.536 3.071 0.197) 3.440 2.044 ( -0.000 -0.000 -4.173) 4.173 2.250 ( -0.000 -0.000 0.722) 0.722 2.381 ( -1.958 -3.916 2.872) 5.236 2.381 ( 1.958 3.916 2.872) 5.236 3.155 ( -0.000 -0.000 0.832) 0.832 3.284 ( -1.660 -3.321 -2.385) 4.412 3.284 ( 1.660 3.321 -2.385) 4.412 3.623 ( -0.000 -0.000 1.726) 1.726 3.859 ( -1.690 -3.381 -0.937) 3.894 3.859 ( 1.690 3.381 -0.937) 3.894 4.224 ( -1.005 -2.010 1.457) 2.678 4.224 ( 1.005 2.010 1.457) 2.678 4.225 ( -0.000 -0.000 -6.895) 6.895 4.456 ( -2.338 -4.676 -1.253) 5.375 4.456 ( 2.338 4.676 -1.253) 5.375 4.615 ( -0.000 -0.000 2.660) 2.660 4.948 ( -2.358 -4.717 -0.215) 5.278 4.948 ( 2.358 4.717 -0.215) 5.278 5.064 ( 0.000 -0.000 0.849) 0.849 8.827 ( -0.000 -0.000 -3.231) 3.231 8.893 ( -0.000 -0.000 3.023) 3.023 9.060 ( -1.342 -2.684 2.148) 3.691 9.060 ( 1.342 2.684 2.148) 3.691 9.749 ( -2.201 -4.402 -2.082) 5.344 9.749 ( 2.201 4.402 -2.082) 5.344 21.122 ( -1.096 -2.193 -0.019) 2.452 21.122 ( 1.096 2.193 -0.019) 2.452 21.162 ( -0.000 0.000 -0.603) 0.603 22.195 ( -0.000 -0.000 0.401) 0.401 22.293 ( -0.276 -0.552 0.394) 0.732 22.293 ( 0.276 0.552 0.394) 0.732 ======================= Grid point 91 (16/102) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (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 2.84e-04 2.84e-04 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.359 ( 0.000 0.000 17.609) 17.609 0.359 ( 0.000 -0.000 17.609) 17.609 0.673 ( -0.000 -0.000 32.127) 32.127 1.956 ( -0.000 0.000 -9.357) 9.357 1.956 ( 0.000 -0.000 -9.357) 9.357 2.707 ( 0.000 0.000 4.931) 4.931 2.850 ( 0.000 0.000 1.503) 1.503 2.850 ( 0.000 -0.000 1.503) 1.503 2.949 ( 0.000 0.000 4.267) 4.267 2.949 ( 0.000 0.000 4.267) 4.267 3.117 ( 0.000 -0.000 8.358) 8.358 3.305 ( 0.000 0.000 2.690) 2.690 3.305 ( 0.000 -0.000 2.690) 2.690 3.881 ( 0.000 -0.000 -4.539) 4.539 4.000 ( 0.000 0.000 -3.134) 3.134 4.000 ( 0.000 -0.000 -3.134) 3.134 4.115 ( 0.000 -0.000 3.157) 3.157 4.191 ( 0.000 0.000 2.123) 2.123 4.191 ( 0.000 -0.000 2.123) 2.123 4.463 ( 0.000 0.000 -1.750) 1.750 4.463 ( 0.000 -0.000 -1.750) 1.750 4.524 ( 0.000 0.000 -2.094) 2.094 4.891 ( 0.000 -0.000 -3.381) 3.381 5.873 ( -0.000 0.000 -4.320) 4.320 8.718 ( 0.000 0.000 -0.592) 0.592 8.718 ( 0.000 -0.000 -0.592) 0.592 8.827 ( 0.000 0.000 0.652) 0.652 8.827 ( 0.000 -0.000 0.652) 0.652 10.295 ( 0.000 -0.000 1.536) 1.536 10.581 ( -0.000 0.000 -1.484) 1.484 20.909 ( 0.000 0.000 -0.440) 0.440 20.909 ( 0.000 -0.000 -0.440) 0.440 20.946 ( 0.000 0.000 0.447) 0.447 20.946 ( 0.000 -0.000 0.447) 0.447 22.392 ( 0.000 0.000 -0.495) 0.495 22.606 ( 0.000 0.000 0.025) 0.025 ======================= Grid point 92 (17/102) ======================= q-point: ( 0.11 0.00 0.14) Boundary mean free path (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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( 18.184 0.028 12.235) 21.917 0.698 ( 12.148 8.041 17.447) 22.729 0.874 ( 19.750 16.409 15.422) 29.952 1.875 ( -3.159 0.279 -11.492) 11.921 2.058 ( 4.383 2.284 -4.647) 6.784 2.604 ( -6.646 -5.230 6.474) 10.650 2.726 ( -10.153 -1.813 2.329) 10.573 2.822 ( 0.382 -3.696 2.953) 4.747 2.981 ( 0.224 -0.527 -0.989) 1.143 3.031 ( -4.180 0.720 0.035) 4.242 3.161 ( 3.169 -1.241 4.157) 5.372 3.267 ( 0.021 0.494 -0.065) 0.499 3.369 ( 3.226 2.504 4.686) 6.216 3.854 ( -1.465 -3.013 0.231) 3.359 3.892 ( -6.903 -0.644 -3.644) 7.832 3.961 ( 2.278 1.662 -0.879) 2.954 4.005 ( -7.961 -0.727 4.004) 8.941 4.159 ( 0.264 -4.915 0.649) 4.964 4.208 ( -3.288 1.072 0.940) 3.584 4.507 ( 9.113 -3.171 -0.629) 9.670 4.565 ( 5.128 8.705 -6.969) 12.274 4.775 ( 10.871 5.791 -4.720) 13.191 4.935 ( 2.801 1.079 -6.763) 7.399 5.726 ( -8.982 -6.446 7.878) 13.575 8.727 ( 1.261 0.071 -0.914) 1.559 8.809 ( 0.537 -0.146 -1.427) 1.531 8.823 ( 2.000 4.641 -4.322) 6.649 8.861 ( 3.932 1.351 -1.626) 4.464 10.027 ( -22.023 -13.674 24.370) 35.579 10.266 ( -2.962 -1.815 1.789) 3.907 20.927 ( 1.346 -2.513 0.780) 2.956 20.942 ( 0.417 3.598 -0.820) 3.714 20.979 ( 3.996 -0.198 0.397) 4.021 21.594 ( 26.619 17.730 -31.029) 44.561 22.375 ( -1.428 -0.656 -0.612) 1.687 22.560 ( -3.244 -1.665 1.879) 4.102 ======================= Grid point 93 (18/102) ======================= q-point: ( 0.22 0.00 0.14) Boundary mean free path (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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( 11.710 9.099 12.503) 19.397 0.953 ( 14.781 0.672 14.513) 20.725 1.443 ( 19.943 13.647 0.678) 24.175 1.864 ( 0.525 3.030 -8.179) 8.739 2.131 ( 2.478 -0.835 -0.117) 2.617 2.420 ( -8.441 -4.069 5.731) 10.984 2.499 ( -11.638 -3.335 3.453) 12.589 2.741 ( -14.836 -9.524 1.373) 17.683 2.781 ( -4.323 -3.327 1.555) 5.672 2.922 ( -4.213 -1.590 0.412) 4.522 3.162 ( -2.408 3.242 -3.563) 5.385 3.364 ( 8.456 -2.883 5.331) 10.403 3.447 ( 2.163 0.647 1.698) 2.825 3.767 ( -7.855 6.644 -0.699) 10.312 3.887 ( 3.416 -0.296 0.002) 3.429 3.897 ( -0.003 -6.013 -1.188) 6.130 4.023 ( 1.147 0.428 0.268) 1.253 4.119 ( 1.516 2.585 1.924) 3.561 4.251 ( 2.867 3.823 -0.456) 4.800 4.615 ( 7.533 -4.926 -0.024) 9.001 4.701 ( 1.155 7.276 -4.995) 8.900 4.948 ( 4.377 1.093 -6.897) 8.242 4.979 ( 1.586 0.100 -5.975) 6.182 5.487 ( -9.806 -7.138 13.742) 18.329 8.758 ( 1.490 -0.104 -1.412) 2.056 8.797 ( 0.257 0.091 -0.010) 0.273 8.878 ( 0.380 2.855 -1.031) 3.060 8.975 ( 3.940 3.539 -8.703) 10.188 9.724 ( -5.024 -4.938 16.902) 18.311 10.173 ( -4.743 -3.034 1.033) 5.725 20.925 ( 0.944 -1.366 0.535) 1.744 21.007 ( 2.733 2.275 -0.858) 3.658 21.065 ( 4.715 2.150 2.184) 5.624 21.979 ( 7.883 5.967 -20.382) 22.653 22.338 ( -1.786 -0.456 -0.871) 2.039 22.483 ( -3.305 -1.732 2.575) 4.534 ======================= Grid point 94 (19/102) ======================= q-point: ( 0.33 0.00 0.14) Boundary mean free path (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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( 5.986 7.684 9.295) 13.464 1.194 ( 10.890 0.709 9.377) 14.388 1.703 ( 2.138 2.451 -5.284) 6.205 1.900 ( -1.182 -4.249 2.797) 5.223 2.154 ( -4.132 -0.132 3.747) 5.579 2.195 ( -5.961 -1.853 -2.032) 6.565 2.329 ( -5.800 -0.986 4.733) 7.550 2.498 ( 2.367 -3.176 1.928) 4.405 2.673 ( -7.923 1.011 1.127) 8.066 2.830 ( -2.142 -5.390 2.118) 6.174 3.160 ( -2.129 4.453 -3.839) 6.253 3.394 ( -0.533 -4.225 -0.041) 4.259 3.515 ( 4.670 2.895 4.237) 6.939 3.694 ( -5.779 -0.566 3.707) 6.889 3.882 ( 3.075 2.371 -6.494) 7.566 3.998 ( 2.197 0.798 -1.039) 2.558 4.006 ( 2.574 -0.746 3.433) 4.355 4.255 ( 6.819 4.608 1.357) 8.341 4.341 ( 2.912 2.954 -1.578) 4.438 4.661 ( 3.147 -4.570 -0.085) 5.550 4.762 ( -0.459 2.688 -4.095) 4.920 4.940 ( -4.038 -3.373 -3.359) 6.242 5.005 ( 1.945 0.518 -6.478) 6.783 5.275 ( -6.502 -4.095 12.842) 14.966 8.756 ( 0.096 -1.391 -0.613) 1.523 8.837 ( 1.758 2.011 -0.628) 2.744 8.902 ( -0.322 2.043 -1.588) 2.607 9.060 ( 2.237 2.707 -7.284) 8.086 9.670 ( 1.258 -1.491 9.871) 10.062 10.047 ( -5.387 -3.687 0.845) 6.582 20.933 ( 1.175 -0.814 0.568) 1.538 21.067 ( 2.167 0.761 -0.419) 2.335 21.178 ( 4.248 3.408 2.813) 6.130 22.087 ( 1.664 1.520 -12.633) 12.833 22.312 ( -1.052 0.205 -1.351) 1.724 22.415 ( -2.407 -1.374 2.416) 3.677 ======================= Grid point 95 (20/102) ======================= q-point: ( 0.44 0.00 0.14) Boundary mean free path (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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( -6.214 -1.331 4.370) 7.712 1.393 ( 6.317 3.773 5.818) 9.380 1.723 ( 2.317 -1.714 -0.996) 3.049 1.790 ( -5.296 -3.390 4.854) 7.943 2.010 ( -2.804 0.756 4.131) 5.050 2.230 ( -0.263 3.001 0.007) 3.013 2.278 ( 3.489 -0.937 2.890) 4.626 2.483 ( -10.548 2.305 2.719) 11.134 2.666 ( 7.594 -0.072 -0.411) 7.605 2.750 ( 0.496 -6.316 1.948) 6.628 3.175 ( -0.720 2.956 -2.463) 3.914 3.341 ( -4.084 2.603 -1.375) 5.034 3.586 ( -1.963 -5.336 2.105) 6.063 3.616 ( 1.954 3.006 3.443) 4.971 3.956 ( -0.313 0.541 -0.898) 1.094 3.991 ( 2.569 1.638 -0.730) 3.133 4.111 ( 4.904 0.829 0.040) 4.974 4.391 ( 2.206 1.590 2.480) 3.680 4.414 ( 4.971 0.774 -5.161) 7.207 4.606 ( -6.929 -3.761 -0.947) 7.941 4.703 ( -1.451 -3.962 -1.917) 4.634 4.868 ( -0.737 0.485 -0.615) 1.076 5.060 ( 2.616 1.171 -1.491) 3.231 5.177 ( -2.222 -0.649 5.783) 6.229 8.747 ( 0.353 -1.007 -0.287) 1.105 8.864 ( -1.008 1.472 -0.311) 1.811 8.922 ( 0.792 1.171 -2.559) 2.924 9.113 ( 1.124 1.923 -5.602) 6.029 9.696 ( 1.552 -0.856 5.688) 5.958 9.932 ( -2.861 -2.554 1.403) 4.084 20.945 ( 0.839 -0.562 0.667) 1.210 21.098 ( 0.615 0.577 0.367) 0.919 21.254 ( 1.238 0.971 1.725) 2.335 22.115 ( 1.119 0.984 -8.456) 8.586 22.294 ( -1.026 -0.403 -1.279) 1.688 22.378 ( -0.874 -0.106 1.671) 1.889 ======================= Grid point 96 (21/102) ======================= q-point: (-0.44 0.00 0.14) Boundary mean free path (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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( 1.438 2.954 2.389) 4.062 1.365 ( -8.643 -4.883 6.475) 11.852 1.731 ( 1.539 2.100 0.568) 2.665 1.803 ( 7.563 0.075 2.936) 8.113 2.036 ( 2.124 1.540 5.885) 6.443 2.227 ( -6.991 9.420 -1.783) 11.865 2.268 ( -4.082 -1.237 4.773) 6.401 2.489 ( 9.835 1.859 1.429) 10.110 2.712 ( -2.067 -1.624 1.187) 2.884 2.740 ( 6.141 -7.294 1.909) 9.724 3.191 ( -0.949 3.304 -2.028) 3.991 3.302 ( -4.712 4.617 -2.421) 7.027 3.516 ( 0.124 -5.395 0.991) 5.487 3.636 ( -1.180 1.010 2.470) 2.918 3.948 ( -0.653 0.081 0.192) 0.685 4.032 ( 1.006 -0.567 1.906) 2.229 4.177 ( 0.917 -1.813 -1.159) 2.339 4.314 ( -5.283 -4.410 -0.434) 6.895 4.488 ( -2.975 -0.307 1.369) 3.289 4.525 ( 7.235 -1.060 -6.739) 9.944 4.676 ( -2.458 3.131 -1.537) 4.267 4.865 ( 0.956 -2.518 -1.198) 2.948 5.056 ( -2.491 -0.600 0.852) 2.700 5.227 ( 5.041 3.756 4.882) 7.959 8.748 ( 0.581 -0.362 -0.246) 0.727 8.847 ( -1.698 0.429 -0.978) 2.006 8.936 ( -0.231 0.109 -1.930) 1.947 9.134 ( -0.742 1.193 -5.479) 5.657 9.665 ( -2.163 -2.765 5.235) 6.304 9.938 ( 3.876 1.222 1.595) 4.365 20.947 ( -0.231 -0.370 0.739) 0.859 21.101 ( -0.827 0.448 0.563) 1.096 21.233 ( -2.302 -2.649 0.640) 3.567 22.155 ( 1.495 1.175 -7.769) 7.999 22.271 ( -0.701 -0.392 -0.327) 0.867 22.380 ( 0.544 1.004 0.932) 1.474 ======================= Grid point 97 (22/102) ======================= q-point: (-0.33 0.00 0.14) Boundary mean free path (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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( -10.078 -3.386 1.559) 10.745 1.123 ( -9.381 -8.792 10.574) 16.647 1.853 ( -4.380 -1.942 0.626) 4.832 1.900 ( 8.954 5.704 0.778) 10.645 2.083 ( 1.089 -0.895 3.573) 3.841 2.231 ( 3.097 10.981 3.038) 11.807 2.299 ( 3.493 0.964 0.244) 3.631 2.552 ( -6.661 5.701 4.577) 9.890 2.714 ( 10.314 -6.815 1.570) 12.461 2.842 ( 9.821 0.708 1.492) 9.959 3.196 ( -5.123 6.088 -3.852) 8.840 3.274 ( 0.057 -0.496 -0.594) 0.776 3.465 ( -1.065 -4.113 -0.401) 4.267 3.643 ( 1.453 1.151 2.711) 3.284 3.932 ( -0.850 1.051 -1.091) 1.737 4.014 ( -4.318 -2.504 0.283) 5.000 4.077 ( -2.651 -1.649 2.657) 4.100 4.274 ( 1.695 -3.880 1.025) 4.357 4.404 ( -5.695 -1.940 2.168) 6.395 4.620 ( 4.571 -4.352 -6.027) 8.727 4.667 ( -3.371 6.426 -6.936) 10.038 4.853 ( 1.754 -4.135 -1.162) 4.639 5.003 ( -3.110 -0.183 -1.269) 3.364 5.377 ( 6.860 4.346 9.014) 12.133 8.759 ( 0.615 0.106 -0.621) 0.880 8.819 ( -1.569 0.026 -0.872) 1.795 8.916 ( -1.305 -1.215 -1.223) 2.162 9.099 ( -4.252 0.135 -7.559) 8.673 9.623 ( 0.932 -1.462 9.688) 9.842 10.048 ( 5.660 2.607 0.920) 6.299 20.931 ( -1.218 0.006 0.539) 1.332 21.075 ( -2.064 -0.660 -0.091) 2.169 21.144 ( -3.227 -4.172 1.069) 5.381 22.143 ( -3.305 -1.591 -11.201) 11.787 22.285 ( 1.473 1.534 -0.262) 2.142 22.420 ( 2.331 1.823 1.543) 3.337 ======================= Grid point 98 (23/102) ======================= q-point: (-0.22 0.00 0.14) Boundary mean free path (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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( -13.944 -8.632 3.567) 16.783 0.861 ( -9.309 -8.036 15.951) 20.141 1.562 ( -20.982 -11.696 4.685) 24.475 1.939 ( -2.125 -3.855 -1.899) 4.794 2.070 ( -2.905 3.112 -3.953) 5.809 2.437 ( 7.659 4.201 5.735) 10.450 2.456 ( 9.450 7.415 2.724) 12.317 2.701 ( 6.414 14.517 1.200) 15.915 2.826 ( 9.865 -2.566 2.944) 10.610 3.045 ( 10.924 0.167 0.768) 10.952 3.135 ( -4.662 1.395 -2.130) 5.311 3.300 ( 1.469 2.262 1.361) 3.021 3.373 ( -3.624 -6.071 -0.869) 7.124 3.700 ( 1.723 1.217 1.716) 2.719 3.891 ( -3.309 0.464 0.077) 3.342 3.978 ( 2.292 4.103 -0.640) 4.743 4.058 ( -0.799 -0.177 2.225) 2.371 4.228 ( -3.639 -3.615 3.341) 6.122 4.284 ( -2.421 -3.293 1.029) 4.214 4.579 ( -2.934 -3.494 -1.878) 4.934 4.662 ( -3.197 -0.599 -12.740) 13.149 4.839 ( -0.221 -3.403 -0.777) 3.498 4.948 ( -2.015 -0.312 -4.121) 4.598 5.549 ( 7.990 3.766 10.758) 13.919 8.760 ( -0.438 -1.010 -1.468) 1.835 8.803 ( -0.733 1.492 0.373) 1.703 8.874 ( -1.186 -2.218 -0.805) 2.641 8.993 ( -7.015 -0.986 -9.550) 11.890 9.697 ( 7.839 2.552 17.048) 18.936 10.172 ( 5.000 2.575 0.995) 5.711 20.909 ( -1.338 0.263 -0.038) 1.364 21.021 ( -1.684 -2.803 -0.277) 3.281 21.051 ( -3.203 -2.818 1.293) 4.458 22.002 ( -10.205 -4.563 -18.966) 22.015 22.332 ( 1.794 1.534 -0.877) 2.518 22.490 ( 3.045 2.105 2.227) 4.320 ======================= Grid point 99 (24/102) ======================= q-point: (-0.11 0.00 0.14) Boundary mean free path (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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.439 ( -7.364 -13.241 8.953) 17.598 0.652 ( -8.831 -3.358 21.438) 23.427 0.975 ( -26.810 -13.457 14.806) 33.453 1.901 ( -0.176 1.087 -9.765) 9.827 2.029 ( -2.760 -0.856 -5.693) 6.384 2.606 ( 7.312 3.187 5.881) 9.910 2.696 ( 8.163 7.606 2.614) 11.460 2.830 ( 4.587 -2.746 2.514) 5.908 2.950 ( -2.181 3.955 0.605) 4.557 3.103 ( -1.190 1.692 1.951) 2.844 3.156 ( -0.467 -6.646 1.490) 6.827 3.263 ( -0.434 0.082 0.433) 0.619 3.360 ( 0.120 0.868 2.728) 2.865 3.740 ( 6.160 4.654 0.901) 7.773 3.956 ( 2.415 -0.683 -1.132) 2.753 3.975 ( -0.748 0.018 -0.050) 0.749 4.078 ( -1.909 5.372 1.112) 5.808 4.186 ( 2.010 4.273 -0.099) 4.723 4.247 ( 0.889 -3.111 3.090) 4.474 4.458 ( -1.404 -13.074 -4.567) 13.919 4.542 ( -9.386 2.638 -7.359) 12.215 4.735 ( -6.757 -4.868 -1.318) 8.432 4.926 ( -1.236 -1.099 -6.570) 6.775 5.736 ( 8.790 3.900 7.238) 12.036 8.733 ( -0.712 -1.306 -0.849) 1.712 8.804 ( -3.212 1.149 -2.945) 4.507 8.836 ( -0.274 -2.648 -1.243) 2.938 8.852 ( -5.254 -1.219 -3.377) 6.364 10.021 ( 23.469 12.593 24.487) 36.180 10.265 ( 3.084 1.676 1.767) 3.929 20.896 ( -0.113 0.138 -0.459) 0.492 20.972 ( -0.300 -3.453 0.572) 3.513 20.975 ( -2.852 -1.002 0.046) 3.024 21.600 ( -29.129 -14.466 -30.682) 44.712 22.374 ( 1.366 0.952 -0.641) 1.784 22.563 ( 2.818 1.847 1.754) 3.799 ======================= Grid point 101 (25/102) ======================= q-point: ( 0.11 0.11 0.14) Boundary mean free path (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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( 13.377 11.593 5.851) 18.644 0.831 ( 8.201 9.190 17.680) 21.548 1.386 ( 10.045 25.839 6.123) 28.391 1.893 ( -0.595 0.725 -7.974) 8.029 2.096 ( 1.321 2.065 -1.206) 2.732 2.471 ( -4.327 -6.834 5.845) 9.979 2.596 ( -3.381 -9.982 6.548) 12.407 2.715 ( -2.882 -7.024 -0.626) 7.618 2.955 ( -15.334 -7.719 0.631) 17.179 3.012 ( -5.849 4.366 -0.408) 7.311 3.078 ( 10.509 -13.690 3.650) 17.641 3.264 ( -1.626 3.701 -3.770) 5.528 3.412 ( 4.761 1.332 4.043) 6.387 3.769 ( 5.653 -0.608 2.589) 6.247 3.871 ( -2.072 -0.119 -3.736) 4.273 4.012 ( -0.808 3.518 -3.328) 4.910 4.099 ( -6.934 0.590 1.601) 7.141 4.135 ( -2.010 3.020 4.327) 5.647 4.261 ( 2.095 4.749 1.212) 5.330 4.418 ( 3.015 -2.710 -1.889) 4.472 4.739 ( 4.031 6.488 -9.263) 12.006 4.852 ( 6.557 1.324 -1.341) 6.823 4.945 ( 1.100 0.150 -6.603) 6.696 5.561 ( -7.138 -8.194 11.272) 15.657 8.746 ( 0.608 1.399 -1.196) 1.939 8.808 ( -1.136 0.254 -0.159) 1.175 8.879 ( 3.022 1.356 0.661) 3.377 8.963 ( 2.403 6.719 -10.821) 12.962 9.741 ( -5.199 -10.725 19.944) 23.234 10.199 ( -2.625 -4.640 1.054) 5.434 20.921 ( 0.141 1.853 -0.561) 1.941 20.971 ( 1.816 0.550 0.611) 1.994 21.034 ( 2.415 4.129 0.232) 4.789 21.939 ( 6.415 12.461 -21.899) 26.000 22.351 ( -0.686 -1.535 -0.658) 1.806 22.509 ( -2.183 -3.149 2.220) 4.429 ======================= Grid point 102 (26/102) ======================= q-point: ( 0.22 0.11 0.14) Boundary mean free path (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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( 12.744 6.739 11.274) 18.301 1.113 ( 9.611 12.341 8.061) 17.596 1.715 ( 2.641 8.963 -2.300) 9.623 1.906 ( -1.293 0.706 -2.606) 2.993 2.108 ( 1.982 0.587 1.548) 2.583 2.347 ( -3.829 -4.210 5.271) 7.757 2.365 ( -9.416 -9.618 7.216) 15.272 2.542 ( -10.669 -10.125 3.854) 15.205 2.643 ( -1.376 -9.132 -4.058) 10.088 2.909 ( -6.343 2.845 0.337) 6.960 3.198 ( 11.934 -7.358 3.546) 14.461 3.266 ( -2.525 3.321 -1.229) 4.349 3.521 ( 3.090 5.457 0.924) 6.339 3.869 ( 3.368 1.964 -2.153) 4.453 3.878 ( -5.883 1.664 -1.443) 6.281 3.947 ( -2.920 7.633 -0.867) 8.218 4.016 ( -2.018 -1.170 1.266) 2.654 4.194 ( 4.045 3.557 1.848) 5.695 4.350 ( 1.469 5.374 0.454) 5.590 4.481 ( 8.767 -6.896 0.222) 11.156 4.807 ( -0.833 2.068 -6.722) 7.083 4.921 ( 1.639 -3.409 -4.710) 6.041 4.968 ( 1.631 -0.413 -4.604) 4.901 5.352 ( -7.599 -5.484 12.340) 15.495 8.758 ( -0.603 0.283 -1.000) 1.202 8.824 ( 1.770 1.999 -0.716) 2.765 8.934 ( 0.727 2.412 0.647) 2.601 9.047 ( 1.628 3.162 -9.762) 10.390 9.634 ( 0.126 -3.027 12.403) 12.767 10.086 ( -4.216 -5.297 0.600) 6.797 20.936 ( -0.697 2.659 0.023) 2.748 21.027 ( 3.299 0.549 0.051) 3.344 21.137 ( 4.203 3.620 1.623) 5.779 22.082 ( 1.677 3.667 -13.698) 14.279 22.328 ( -0.603 -0.427 -0.736) 1.043 22.434 ( -2.455 -3.029 2.167) 4.461 ======================= Grid point 103 (27/102) ======================= q-point: ( 0.33 0.11 0.14) Boundary mean free path (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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( 3.173 8.341 5.880) 10.687 1.327 ( 3.411 7.997 9.303) 12.733 1.715 ( -2.966 -1.597 -3.109) 4.584 1.777 ( -2.191 -6.365 1.943) 7.007 2.089 ( -8.470 -7.621 4.433) 12.226 2.184 ( 0.084 1.718 5.372) 5.641 2.282 ( -1.831 -4.245 3.104) 5.569 2.425 ( 7.387 -5.006 1.397) 9.032 2.572 ( 0.737 -6.811 -2.102) 7.166 2.862 ( -5.603 8.142 -1.914) 10.067 3.237 ( -2.794 1.382 0.652) 3.184 3.335 ( 8.151 -1.262 3.822) 9.090 3.619 ( -0.589 7.262 -0.467) 7.301 3.682 ( -10.054 -0.905 1.979) 10.287 3.964 ( -0.199 -1.578 0.066) 1.592 3.998 ( 1.831 6.737 -7.573) 10.300 4.048 ( 3.650 3.244 2.935) 5.697 4.309 ( 5.799 0.734 1.534) 6.043 4.408 ( 0.065 2.655 -0.966) 2.826 4.565 ( 8.015 -6.101 0.110) 10.073 4.734 ( -7.978 -1.967 -4.375) 9.309 4.866 ( -1.264 -4.297 -1.587) 4.752 5.006 ( 3.566 -0.052 -3.815) 5.222 5.217 ( -3.668 -2.201 8.166) 9.219 8.748 ( -0.598 0.442 -0.946) 1.203 8.882 ( 1.585 2.236 -0.175) 2.746 8.948 ( -1.633 2.301 -1.233) 3.079 9.095 ( 1.924 0.659 -6.584) 6.891 9.652 ( 2.675 0.072 7.062) 7.552 9.956 ( -4.092 -5.045 0.687) 6.532 20.954 ( -0.571 2.891 0.099) 2.948 21.086 ( 2.132 1.194 0.471) 2.489 21.229 ( 2.739 1.115 1.868) 3.498 22.113 ( 0.227 1.132 -9.177) 9.249 22.313 ( -1.304 -0.206 -1.427) 1.944 22.376 ( -0.510 -2.395 2.273) 3.341 ======================= Grid point 104 (28/102) ======================= q-point: ( 0.44 0.11 0.14) Boundary mean free path (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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( -7.249 8.688 4.544) 12.193 1.463 ( -3.173 3.192 4.329) 6.245 1.678 ( 5.488 -1.233 2.975) 6.363 1.754 ( -1.523 -0.666 2.364) 2.890 1.980 ( 4.171 -3.858 2.703) 6.292 2.215 ( 0.610 -4.763 5.729) 7.475 2.221 ( 5.950 -3.373 4.385) 8.125 2.465 ( -2.933 -2.741 1.811) 4.404 2.556 ( 6.157 -4.413 -1.810) 7.788 2.858 ( -6.155 9.849 -3.304) 12.075 3.206 ( -1.063 -0.164 0.185) 1.091 3.458 ( 4.200 -0.049 3.266) 5.321 3.485 ( -8.850 3.565 -0.492) 9.554 3.685 ( -1.060 3.604 1.221) 3.950 3.943 ( 0.919 -1.573 1.566) 2.402 4.050 ( -2.532 3.078 -0.497) 4.016 4.143 ( 2.887 2.636 -2.525) 4.654 4.355 ( -3.204 -4.454 0.684) 5.529 4.415 ( 3.817 -1.332 -5.529) 6.850 4.564 ( -5.186 -1.127 -0.236) 5.312 4.656 ( 4.775 -0.453 -0.526) 4.825 4.819 ( 0.060 -3.095 -1.589) 3.479 5.070 ( 1.528 -0.230 0.244) 1.564 5.171 ( 1.856 -0.691 3.950) 4.419 8.748 ( -0.128 0.818 -1.065) 1.349 8.895 ( -2.319 1.450 0.488) 2.778 8.948 ( -0.327 1.535 -2.325) 2.806 9.128 ( 1.547 -0.432 -4.941) 5.195 9.679 ( -1.000 -0.660 4.257) 4.423 9.883 ( 1.592 -2.082 1.398) 2.970 20.970 ( -1.018 2.881 0.242) 3.065 21.121 ( 0.147 1.588 0.733) 1.755 21.237 ( -1.055 -2.588 0.995) 2.967 22.138 ( 1.406 1.059 -7.014) 7.232 22.282 ( -1.087 -0.527 -0.798) 1.448 22.366 ( 0.981 -1.114 1.356) 2.011 ======================= Grid point 106 (29/102) ======================= q-point: (-0.44 0.11 0.14) Boundary mean free path (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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( -7.998 0.727 4.747) 9.329 1.303 ( -13.043 1.744 4.635) 13.952 1.819 ( 5.300 1.870 2.424) 6.121 1.831 ( 9.027 7.356 0.608) 11.660 2.013 ( 1.801 -3.371 4.191) 5.672 2.223 ( 4.247 -1.213 5.301) 6.900 2.290 ( 2.717 -5.072 2.101) 6.125 2.427 ( 8.249 -4.579 3.347) 10.011 2.614 ( 4.798 -3.627 0.127) 6.016 2.828 ( -7.564 9.468 -1.261) 12.184 3.200 ( 1.604 -2.881 -1.025) 3.453 3.334 ( -5.195 -2.758 -0.482) 5.902 3.552 ( -3.741 8.637 -0.213) 9.415 3.696 ( -1.113 5.701 3.579) 6.822 3.959 ( 0.214 0.491 0.222) 0.580 4.006 ( -1.021 -1.568 -0.277) 1.891 4.142 ( -4.955 -1.134 -0.387) 5.098 4.245 ( -1.574 -2.265 -0.608) 2.824 4.463 ( 4.695 -6.033 -6.425) 9.986 4.482 ( -4.427 -0.830 2.485) 5.144 4.741 ( 2.842 2.779 -3.776) 5.482 4.804 ( 0.504 -0.461 -1.793) 1.919 5.037 ( -2.027 -2.012 -1.045) 3.041 5.271 ( 7.334 0.443 7.014) 10.158 8.758 ( 0.197 0.864 -1.243) 1.527 8.857 ( -2.662 0.567 -0.492) 2.766 8.945 ( -1.741 1.007 -0.834) 2.177 9.132 ( -0.386 -1.371 -6.072) 6.237 9.621 ( -2.435 -1.333 6.387) 6.964 9.959 ( 6.258 0.805 0.920) 6.376 20.974 ( -1.824 2.781 0.412) 3.352 21.108 ( -2.652 -1.494 -0.834) 3.156 21.166 ( -2.779 -1.959 1.876) 3.884 22.158 ( -0.139 -0.951 -8.936) 8.987 22.283 ( 0.664 1.549 0.763) 1.850 22.385 ( 2.328 -0.472 0.919) 2.547 ======================= Grid point 107 (30/102) ======================= q-point: (-0.33 0.11 0.14) Boundary mean free path (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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( -13.793 -3.452 7.772) 16.203 1.067 ( -16.148 2.135 6.211) 17.432 1.789 ( -10.248 -4.051 -0.058) 11.020 1.921 ( -2.651 -1.452 2.413) 3.868 2.116 ( 3.630 1.536 -0.366) 3.959 2.306 ( 8.673 1.317 3.535) 9.458 2.379 ( 8.921 4.650 7.007) 12.260 2.558 ( 11.125 -5.217 0.043) 12.288 2.730 ( 12.938 -0.562 3.190) 13.337 2.852 ( 1.087 8.599 0.491) 8.682 3.138 ( -2.055 -8.656 -1.621) 9.043 3.286 ( -0.312 1.777 0.344) 1.837 3.495 ( -7.657 2.477 -2.810) 8.525 3.743 ( -2.514 7.640 4.213) 9.080 3.943 ( -2.702 -2.310 -3.587) 5.050 4.026 ( 2.393 3.256 1.466) 4.299 4.054 ( -2.013 0.227 0.325) 2.052 4.204 ( -1.528 -2.495 3.323) 4.428 4.375 ( -6.248 -1.005 2.332) 6.745 4.441 ( 2.326 -9.826 -5.503) 11.500 4.789 ( -0.986 3.291 -10.305) 10.863 4.837 ( 0.279 3.933 -0.091) 3.944 4.978 ( -2.227 -2.008 -2.656) 4.006 5.409 ( 8.713 -1.081 10.183) 13.445 8.765 ( -0.313 0.135 -1.421) 1.461 8.822 ( -1.411 -0.093 -0.509) 1.503 8.913 ( -2.932 1.293 0.194) 3.210 9.078 ( -3.905 -1.954 -9.165) 10.152 9.612 ( 2.631 0.377 12.332) 12.615 10.086 ( 6.626 1.005 0.622) 6.730 20.963 ( -2.686 2.545 -0.227) 3.707 21.015 ( -2.562 -4.521 -0.070) 5.197 21.109 ( -3.946 0.731 1.283) 4.214 22.105 ( -4.549 -1.768 -12.952) 13.841 22.317 ( 1.242 1.298 -0.202) 1.808 22.440 ( 3.789 0.188 1.704) 4.159 ======================= Grid point 112 (31/102) ======================= q-point: ( 0.22 0.22 0.14) Boundary mean free path (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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( 9.249 10.225 8.372) 16.131 1.348 ( 6.789 9.716 4.916) 12.832 1.781 ( -4.298 -0.944 -1.802) 4.755 1.882 ( -12.454 -3.457 2.446) 13.154 2.087 ( 4.397 -13.425 4.328) 14.775 2.168 ( -1.226 1.305 2.121) 2.776 2.234 ( -2.158 -6.983 5.874) 9.377 2.352 ( -5.998 -4.921 2.924) 8.291 2.541 ( -3.395 -1.945 -1.938) 4.367 3.006 ( 2.996 5.393 -0.046) 6.169 3.136 ( 5.267 0.506 -0.180) 5.294 3.295 ( -1.152 1.013 2.331) 2.791 3.643 ( 4.077 5.234 -0.889) 6.693 3.841 ( -1.737 -5.238 2.020) 5.876 3.960 ( 2.704 2.485 -1.814) 4.096 3.967 ( -0.943 1.349 -1.858) 2.482 4.118 ( -0.744 7.095 -1.755) 7.347 4.238 ( 2.463 0.675 1.838) 3.146 4.369 ( 2.417 -2.345 -0.261) 3.378 4.450 ( -0.207 3.428 0.529) 3.475 4.795 ( -0.561 -4.514 -7.805) 9.033 4.839 ( 0.695 -1.934 -0.255) 2.070 4.980 ( -1.469 1.553 -2.598) 3.364 5.255 ( -4.590 -4.738 8.273) 10.581 8.764 ( -0.417 0.196 -1.647) 1.711 8.870 ( 2.197 2.460 -0.491) 3.335 8.974 ( 1.888 1.425 0.369) 2.394 9.092 ( -1.285 1.194 -7.322) 7.529 9.617 ( 1.810 1.329 7.430) 7.762 9.968 ( -3.616 -6.138 0.580) 7.148 21.022 ( -2.026 4.933 -0.168) 5.336 21.041 ( 3.811 1.165 -0.119) 3.987 21.186 ( 3.133 1.085 1.970) 3.857 22.131 ( -0.698 1.449 -9.334) 9.471 22.317 ( 0.826 -0.919 0.406) 1.301 22.369 ( -2.425 -2.916 1.104) 3.950 ======================= Grid point 113 (32/102) ======================= q-point: ( 0.33 0.22 0.14) Boundary mean free path (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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( -3.301 2.613 4.122) 5.891 1.484 ( 8.712 7.677 8.071) 14.142 1.630 ( -6.432 -3.369 3.214) 7.940 1.744 ( 0.345 2.123 -0.208) 2.161 1.910 ( -4.817 -8.288 6.440) 11.548 2.129 ( 0.934 -8.362 6.005) 10.337 2.226 ( -3.021 1.120 1.529) 3.566 2.368 ( 8.501 0.498 -1.446) 8.638 2.480 ( -1.498 -3.559 -0.970) 3.982 3.050 ( -3.713 9.132 -2.914) 10.280 3.236 ( -0.947 -0.507 2.801) 2.999 3.329 ( 7.601 -0.678 2.543) 8.044 3.654 ( -7.096 -1.592 -0.181) 7.275 3.754 ( -0.782 5.369 -0.915) 5.502 3.911 ( -0.572 -3.104 -0.302) 3.171 4.115 ( 3.209 3.800 1.220) 5.121 4.154 ( -2.106 6.364 -4.263) 7.944 4.292 ( 3.833 -2.161 2.683) 5.153 4.418 ( -2.481 -2.022 -2.057) 3.805 4.462 ( 7.422 -0.669 -0.618) 7.478 4.673 ( -4.514 -6.723 -3.520) 8.830 4.843 ( -2.456 4.249 0.047) 4.908 5.004 ( 3.972 -0.426 -1.258) 4.189 5.154 ( -2.017 -4.184 4.193) 6.257 8.761 ( -0.306 0.558 -2.039) 2.136 8.926 ( 0.901 2.064 1.155) 2.531 8.993 ( -1.699 2.137 -1.942) 3.350 9.086 ( 1.306 -1.491 -5.038) 5.414 9.680 ( 1.979 2.586 4.188) 5.305 9.850 ( -2.218 -5.171 1.141) 5.741 21.038 ( -1.997 4.855 -0.272) 5.256 21.113 ( 2.702 1.314 0.376) 3.028 21.217 ( 0.517 -2.062 1.645) 2.688 22.134 ( 0.113 0.843 -6.647) 6.701 22.302 ( -1.986 -0.684 -0.581) 2.179 22.328 ( 1.339 -2.028 1.355) 2.782 ======================= Grid point 114 (33/102) ======================= q-point: (-0.56 0.22 0.14) Boundary mean free path (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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( -6.345 3.849 4.794) 8.835 1.513 ( -7.754 -0.722 5.332) 9.438 1.684 ( 7.586 0.281 3.801) 8.489 1.796 ( 3.528 2.355 3.688) 5.621 1.884 ( 7.974 -1.911 2.129) 8.472 2.107 ( 5.111 -4.247 4.825) 8.212 2.194 ( -2.204 2.060 2.723) 4.064 2.384 ( -2.637 -4.988 1.915) 5.958 2.497 ( 5.027 -1.929 -2.018) 5.750 3.067 ( -6.037 9.651 -1.019) 11.429 3.181 ( -2.613 -1.783 -0.727) 3.246 3.349 ( -1.251 -5.377 1.928) 5.848 3.658 ( 3.502 5.935 1.243) 7.002 3.755 ( -2.971 2.751 -0.451) 4.074 3.911 ( 2.861 -0.940 0.140) 3.014 4.091 ( -5.941 1.069 -0.271) 6.043 4.210 ( -0.745 3.609 -0.105) 3.687 4.259 ( -3.020 -4.391 -2.547) 5.907 4.366 ( 0.000 -1.504 -0.604) 1.621 4.516 ( -1.568 -4.386 -0.044) 4.658 4.652 ( 7.986 0.967 -3.890) 8.935 4.840 ( -2.819 4.110 -0.800) 5.047 5.026 ( -0.303 -4.274 -0.094) 4.286 5.153 ( 5.545 -0.465 4.023) 6.866 8.764 ( -0.031 0.390 -2.139) 2.174 8.919 ( -2.927 0.844 0.878) 3.170 8.988 ( -1.337 2.204 -1.768) 3.126 9.098 ( 1.742 -2.202 -4.705) 5.479 9.673 ( -3.852 0.053 3.862) 5.455 9.853 ( 5.650 -0.814 1.314) 5.858 21.045 ( -2.297 3.870 0.187) 4.504 21.130 ( -2.125 -2.797 -1.095) 3.679 21.189 ( -0.261 0.227 2.456) 2.480 22.146 ( 0.360 -0.423 -6.713) 6.736 22.289 ( 0.357 1.351 0.649) 1.541 22.336 ( 1.762 -1.750 0.406) 2.516 ======================= Grid point 118 (34/102) ======================= q-point: (-0.11 0.22 0.14) Boundary mean free path (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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( -10.255 8.093 16.455) 21.010 0.874 ( -12.025 10.398 10.350) 18.969 1.365 ( -10.140 29.020 6.154) 31.351 1.851 ( 3.258 1.733 -9.325) 10.028 2.096 ( -4.396 0.206 -1.632) 4.694 2.483 ( 4.806 -7.655 6.397) 11.073 2.514 ( 6.064 -11.953 2.496) 13.634 2.773 ( 1.201 -16.395 -2.939) 16.699 2.856 ( 4.253 -0.613 3.630) 5.625 2.978 ( 11.948 -3.043 0.156) 12.331 3.206 ( 3.356 -0.928 -2.340) 4.195 3.266 ( -7.184 -1.116 6.409) 9.692 3.464 ( -6.852 5.794 1.989) 9.191 3.671 ( 1.919 -2.439 -0.534) 3.149 3.888 ( 0.188 -1.932 -1.065) 2.214 4.013 ( -1.322 1.378 1.165) 2.237 4.042 ( -0.076 1.823 1.786) 2.553 4.138 ( 4.059 2.918 -1.556) 5.236 4.257 ( 3.933 6.380 0.711) 7.528 4.504 ( -5.426 -3.425 -1.889) 6.689 4.718 ( -3.392 8.332 -4.645) 10.124 4.885 ( -6.316 3.194 -4.860) 8.585 4.953 ( -1.949 -0.421 -5.931) 6.257 5.588 ( 6.709 -8.246 12.146) 16.141 8.759 ( -0.605 1.743 -1.083) 2.140 8.799 ( -0.828 -0.933 -0.291) 1.281 8.870 ( 1.182 4.037 -1.426) 4.442 8.917 ( -3.279 2.742 -8.131) 9.186 9.778 ( 4.210 -9.080 19.006) 21.480 10.204 ( 2.444 -4.313 1.257) 5.115 20.923 ( -2.677 -0.075 -0.555) 2.735 20.991 ( 0.439 3.293 1.416) 3.611 21.053 ( -2.373 3.687 1.183) 4.541 21.906 ( -6.402 12.542 -23.958) 27.790 22.342 ( 1.047 -2.074 -0.941) 2.506 22.503 ( 2.166 -3.304 2.615) 4.738 ======================= Grid point 122 (35/102) ======================= q-point: ( 0.33 0.33 0.14) Boundary mean free path (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 2.84e-04 2.84e-04 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( -2.156 -4.313 3.567) 5.998 1.467 ( 2.156 4.313 3.567) 5.998 1.672 ( -0.000 0.000 10.272) 10.272 1.798 ( -1.412 -2.825 4.330) 5.360 1.798 ( 1.412 2.825 4.330) 5.360 2.009 ( -0.000 -0.000 1.167) 1.167 2.262 ( -0.000 -0.000 0.425) 0.425 2.405 ( -1.380 -2.761 -0.464) 3.121 2.405 ( 1.380 2.761 -0.464) 3.121 3.171 ( -0.000 -0.000 1.239) 1.239 3.266 ( -2.370 -4.741 0.769) 5.356 3.266 ( 2.370 4.741 0.769) 5.356 3.633 ( -0.000 -0.000 -2.039) 2.039 3.843 ( -1.695 -3.391 -0.613) 3.840 3.843 ( 1.695 3.391 -0.613) 3.840 4.162 ( 0.000 0.000 1.602) 1.602 4.239 ( -0.898 -1.797 -0.133) 2.013 4.239 ( 0.898 1.797 -0.133) 2.013 4.447 ( -2.030 -4.060 0.489) 4.566 4.447 ( 2.030 4.060 0.489) 4.566 4.559 ( -0.000 -0.000 -7.531) 7.531 4.956 ( -2.341 -4.681 0.974) 5.324 4.956 ( 2.341 4.681 0.974) 5.324 5.091 ( 0.000 0.000 1.412) 1.412 8.767 ( -0.000 -0.000 -2.583) 2.583 8.952 ( -0.000 -0.000 2.655) 2.655 9.041 ( -1.230 -2.460 -3.820) 4.707 9.041 ( 1.230 2.460 -3.820) 4.707 9.752 ( -1.983 -3.965 2.280) 4.985 9.752 ( 1.983 3.965 2.280) 4.985 21.118 ( -0.957 -1.914 -0.439) 2.185 21.118 ( 0.957 1.914 -0.439) 2.185 21.179 ( -0.000 -0.000 2.291) 2.291 22.142 ( -0.000 -0.000 -5.392) 5.392 22.300 ( -0.376 -0.753 0.217) 0.869 22.300 ( 0.376 0.753 0.217) 0.869 ======================= Grid point 128 (36/102) ======================= q-point: (-0.22 0.33 0.14) Boundary mean free path (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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( -10.262 7.882 13.905) 18.994 1.160 ( -9.324 7.731 5.023) 13.112 1.738 ( 0.034 15.601 -0.485) 15.609 1.900 ( -6.673 3.613 -1.498) 7.735 2.132 ( -1.425 -3.735 1.080) 4.140 2.223 ( 10.061 -12.945 1.669) 16.480 2.343 ( 4.087 -7.597 3.927) 9.478 2.554 ( 3.537 -13.175 -2.884) 13.943 2.638 ( 8.280 -5.956 4.034) 10.969 2.882 ( 0.993 1.400 3.098) 3.542 3.150 ( 2.265 0.733 -4.098) 4.739 3.403 ( -9.084 -2.746 6.895) 11.730 3.532 ( 7.154 5.266 -2.776) 9.307 3.677 ( -3.776 1.269 1.350) 4.206 3.929 ( -1.361 2.827 -1.867) 3.651 3.985 ( 3.841 1.681 -1.664) 4.510 4.063 ( 3.687 2.439 2.471) 5.064 4.147 ( -6.529 4.031 1.382) 7.796 4.316 ( -2.096 5.210 -1.419) 5.792 4.610 ( -9.279 -4.229 -1.193) 10.267 4.772 ( 3.660 4.773 -0.746) 6.061 4.957 ( -2.542 -2.370 -9.561) 10.173 4.988 ( -0.287 -0.232 -2.509) 2.536 5.365 ( 8.524 -6.915 13.856) 17.676 8.788 ( -0.091 1.191 -1.530) 1.941 8.810 ( -1.260 0.899 -0.042) 1.548 8.886 ( 0.678 2.368 -2.166) 3.280 8.997 ( -3.822 0.401 -7.153) 8.120 9.692 ( 0.674 -0.908 11.694) 11.749 10.099 ( 4.172 -4.517 1.098) 6.246 20.961 ( -0.434 1.810 -0.260) 1.879 21.046 ( -2.672 2.622 0.512) 3.778 21.128 ( -2.546 2.969 2.905) 4.872 22.062 ( -2.638 3.763 -15.407) 16.078 22.307 ( 0.547 -1.447 -1.211) 1.964 22.432 ( 2.133 -3.047 2.554) 4.512 ======================= Grid point 129 (37/102) ======================= q-point: (-0.11 0.33 0.14) Boundary mean free path (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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( -6.461 12.680 11.365) 18.213 1.103 ( -7.505 11.525 5.861) 14.950 1.790 ( -5.600 9.155 0.022) 10.732 1.971 ( 5.743 3.566 -2.522) 7.215 2.040 ( -3.003 -2.139 2.894) 4.687 2.247 ( 6.749 -14.726 1.532) 16.272 2.339 ( 4.234 -6.741 4.182) 8.992 2.449 ( 2.354 -7.408 0.566) 7.793 2.778 ( 9.826 -6.328 2.193) 11.891 2.947 ( 3.212 -0.486 1.338) 3.513 3.152 ( -6.649 -2.892 -0.581) 7.274 3.237 ( 1.384 -0.432 0.587) 1.564 3.559 ( -7.908 3.216 0.366) 8.545 3.701 ( 0.193 0.534 -1.804) 1.891 3.890 ( -1.172 2.778 -0.965) 3.165 4.003 ( -4.793 1.369 1.060) 5.096 4.054 ( 1.555 0.694 3.091) 3.529 4.295 ( 2.586 8.433 0.103) 8.821 4.385 ( -2.696 4.161 2.008) 5.350 4.444 ( 5.101 -1.114 -2.735) 5.894 4.802 ( -6.781 -1.496 -8.558) 11.021 4.903 ( 1.003 -0.194 -1.878) 2.138 4.959 ( -2.097 1.848 -2.178) 3.543 5.411 ( 5.534 -8.776 11.541) 15.519 8.780 ( -1.460 -0.288 -0.703) 1.646 8.798 ( -0.237 1.480 -0.971) 1.786 8.928 ( -2.178 1.432 -0.618) 2.679 8.996 ( 3.364 4.727 -8.809) 10.548 9.668 ( -1.296 -2.293 11.755) 12.046 10.099 ( 1.802 -5.733 1.088) 6.107 20.937 ( -2.496 1.294 0.016) 2.812 21.052 ( -0.368 2.582 1.007) 2.796 21.133 ( -1.738 4.056 1.387) 4.625 22.087 ( -0.284 5.919 -14.324) 15.501 22.299 ( 0.456 -2.061 -1.158) 2.408 22.432 ( 1.787 -3.537 2.292) 4.578 ======================= Grid point 138 (38/102) ======================= q-point: (-0.33 0.44 0.14) Boundary mean free path (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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( -0.506 4.460 7.464) 8.710 1.335 ( -4.789 4.550 2.455) 7.047 1.789 ( 4.678 8.231 -0.999) 9.520 1.879 ( 7.102 -3.327 5.763) 9.732 1.969 ( 1.467 -7.908 4.020) 8.991 2.129 ( -0.505 -13.799 -1.397) 13.879 2.234 ( -5.013 -1.215 -0.227) 5.163 2.401 ( 2.787 -11.749 4.137) 12.764 2.619 ( -4.628 2.320 1.143) 5.302 2.916 ( 0.721 8.655 2.969) 9.179 3.136 ( 0.222 0.109 -4.169) 4.176 3.419 ( 9.697 3.538 -4.025) 11.079 3.511 ( -6.134 -2.929 6.399) 9.336 3.709 ( 3.057 3.919 2.175) 5.425 3.944 ( -1.195 4.087 -4.260) 6.023 3.990 ( 1.076 -0.594 0.589) 1.363 4.098 ( -3.085 4.913 2.085) 6.164 4.310 ( -7.351 1.928 1.215) 7.696 4.402 ( -2.477 4.013 -4.054) 6.219 4.682 ( 0.121 -4.406 1.631) 4.700 4.745 ( 0.607 2.197 -2.051) 3.066 4.850 ( 6.925 -6.919 -1.024) 9.843 5.016 ( -3.368 -0.160 -3.916) 5.168 5.204 ( 3.645 -3.598 7.979) 9.481 8.788 ( 1.494 2.009 -0.575) 2.568 8.843 ( -0.671 0.440 -0.668) 1.044 8.903 ( -0.941 1.163 -2.971) 3.326 9.057 ( -3.276 -0.917 -5.797) 6.721 9.707 ( -1.017 1.838 7.125) 7.428 9.978 ( 4.270 -3.828 1.548) 5.940 20.982 ( 0.874 3.101 0.623) 3.282 21.098 ( -0.472 1.649 -0.637) 1.830 21.209 ( -3.812 0.898 3.286) 5.112 22.104 ( -0.517 0.938 -10.228) 10.284 22.295 ( -0.020 -0.549 -1.159) 1.282 22.373 ( 0.996 -2.737 1.847) 3.449 ======================= Grid point 139 (39/102) ======================= q-point: (-0.22 0.44 0.14) Boundary mean free path (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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( -6.008 10.772 9.824) 15.768 1.306 ( -4.226 6.876 1.664) 8.241 1.867 ( -0.547 -15.464 1.758) 15.573 1.901 ( -1.347 -7.450 0.602) 7.595 1.974 ( 4.838 -5.346 3.603) 8.060 2.056 ( 3.410 4.683 -1.623) 6.016 2.168 ( 5.945 -2.912 0.321) 6.628 2.385 ( 4.756 -3.571 6.576) 8.867 2.579 ( 1.963 -3.568 0.157) 4.075 2.980 ( -1.588 7.930 -0.772) 8.125 3.169 ( 1.263 1.771 -3.348) 3.993 3.324 ( -10.124 -3.814 5.921) 12.333 3.626 ( 4.397 2.062 -2.554) 5.487 3.731 ( -2.557 3.360 0.572) 4.261 3.966 ( -2.354 -0.332 -2.246) 3.270 4.019 ( 1.569 3.196 0.972) 3.690 4.124 ( -2.370 4.880 2.855) 6.131 4.267 ( 3.565 6.473 -1.218) 7.490 4.412 ( -0.765 3.300 -2.520) 4.222 4.517 ( -7.728 -4.750 2.744) 9.477 4.827 ( 4.154 -3.004 -1.840) 5.446 4.863 ( -2.025 -2.939 -3.239) 4.819 4.984 ( 1.277 0.522 -2.655) 2.992 5.225 ( 4.984 -6.481 8.852) 12.050 8.806 ( -0.746 0.757 -1.335) 1.706 8.831 ( -1.988 1.047 -0.646) 2.338 8.954 ( 2.757 3.209 -1.274) 4.418 8.995 ( -1.707 -0.239 -7.461) 7.658 9.694 ( -2.078 1.251 7.730) 8.102 9.998 ( 3.190 -5.163 1.648) 6.289 21.003 ( -2.296 2.365 -0.321) 3.312 21.098 ( -1.861 2.099 0.821) 2.922 21.182 ( -0.437 2.288 2.505) 3.420 22.121 ( 0.734 1.916 -10.373) 10.574 22.284 ( -0.444 -0.818 -1.248) 1.557 22.365 ( 1.734 -3.222 1.955) 4.149 ======================= Grid point 140 (40/102) ======================= q-point: (-0.11 0.44 0.14) Boundary mean free path (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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( -8.699 5.157 3.047) 10.562 1.289 ( -3.599 7.562 7.489) 11.235 1.767 ( 2.227 -7.988 2.118) 8.559 1.876 ( 4.249 0.722 -0.358) 4.324 1.970 ( 5.098 -8.699 1.480) 10.191 2.053 ( 2.298 -3.443 4.001) 5.757 2.262 ( 2.422 -2.090 0.386) 3.222 2.511 ( 3.965 3.716 4.151) 6.838 2.638 ( 9.189 -4.983 1.727) 10.595 2.971 ( -10.899 2.817 1.893) 11.415 3.126 ( -1.009 -0.015 -3.375) 3.523 3.237 ( 1.787 0.691 -1.285) 2.307 3.589 ( -4.584 -0.366 0.611) 4.639 3.680 ( -5.818 -0.532 0.925) 5.915 3.941 ( -0.781 1.606 -1.708) 2.471 4.046 ( -0.022 -0.032 2.561) 2.562 4.152 ( -1.536 9.643 0.992) 9.815 4.345 ( -4.715 -2.870 0.039) 5.520 4.442 ( 1.077 4.253 -0.033) 4.387 4.516 ( 9.355 4.858 -1.005) 10.589 4.693 ( -6.119 -7.665 -6.027) 11.512 4.884 ( 1.523 -1.619 -0.121) 2.226 5.019 ( 0.006 3.378 -0.826) 3.478 5.247 ( 4.699 -7.114 6.938) 10.992 8.777 ( -2.257 0.045 -0.082) 2.259 8.826 ( -0.030 1.112 -1.838) 2.148 8.943 ( -1.370 0.165 -2.203) 2.599 9.073 ( 3.961 2.409 -5.991) 7.576 9.670 ( -2.301 2.121 6.948) 7.620 9.984 ( 1.221 -5.284 1.642) 5.666 20.967 ( -2.988 1.469 0.577) 3.379 21.091 ( -0.696 1.276 0.758) 1.639 21.211 ( -0.223 3.364 0.927) 3.496 22.154 ( 0.978 0.473 -9.090) 9.154 22.269 ( -0.271 -0.275 -0.520) 0.647 22.371 ( 1.968 -2.210 1.202) 3.194 ======================= Grid point 146 (41/102) ======================= q-point: (-0.44 0.56 0.14) Boundary mean free path (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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( 4.466 7.500 2.297) 9.026 1.431 ( 0.952 0.043 2.815) 2.972 1.721 ( 3.478 -1.903 4.912) 6.312 1.835 ( -1.090 6.844 3.572) 7.796 1.947 ( -3.584 -11.415 2.879) 12.306 2.013 ( -2.752 -8.400 0.257) 8.843 2.255 ( -0.546 -5.018 3.948) 6.408 2.398 ( -8.087 2.468 -1.956) 8.679 2.659 ( -1.893 -6.043 3.880) 7.426 2.996 ( 5.263 13.182 2.593) 14.428 3.131 ( -0.112 -0.978 -3.850) 3.974 3.293 ( 5.640 -0.296 -3.517) 6.653 3.562 ( -1.930 0.086 4.243) 4.663 3.693 ( 3.903 4.940 0.435) 6.310 3.962 ( 1.193 0.206 0.138) 1.219 4.021 ( -2.266 1.836 0.112) 2.918 4.202 ( -2.269 4.798 -0.329) 5.318 4.392 ( 1.697 -0.832 2.110) 2.833 4.483 ( -1.102 -0.531 -6.048) 6.170 4.569 ( 3.339 3.046 1.715) 4.834 4.627 ( 2.893 -7.702 -1.498) 8.362 4.839 ( -3.868 -0.995 0.323) 4.007 5.069 ( -0.647 -0.557 1.284) 1.542 5.147 ( -2.173 -1.923 2.021) 3.536 8.781 ( 1.716 2.329 -0.138) 2.896 8.842 ( 0.399 -0.404 -1.516) 1.619 8.933 ( -0.806 0.926 -2.750) 3.011 9.089 ( -2.105 -2.388 -5.143) 6.048 9.722 ( 2.287 0.902 4.916) 5.496 9.913 ( -0.979 -0.656 2.349) 2.628 20.987 ( 2.103 2.897 0.870) 3.684 21.105 ( 0.614 0.620 0.156) 0.886 21.250 ( -0.517 -1.000 1.535) 1.904 22.128 ( -1.623 0.686 -7.592) 7.794 22.284 ( 0.899 -0.394 -0.342) 1.039 22.349 ( -1.083 -1.972 0.523) 2.309 ======================= Grid point 148 (42/102) ======================= q-point: (-0.33 0.56 0.14) Boundary mean free path (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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( 3.458 5.154 2.959) 6.876 1.414 ( -3.245 3.990 1.200) 5.281 1.699 ( -1.836 -18.520 1.954) 18.713 1.808 ( 4.771 -3.222 6.119) 8.402 1.874 ( -1.096 -1.860 5.819) 6.207 2.048 ( 6.452 11.252 -2.089) 13.138 2.189 ( -2.196 -3.072 4.604) 5.955 2.279 ( -3.940 -1.834 -2.157) 4.852 2.537 ( -1.748 -9.617 1.062) 9.832 3.084 ( -1.045 4.380 -2.660) 5.230 3.202 ( 0.660 7.700 1.051) 7.800 3.415 ( -0.152 -3.359 2.924) 4.456 3.548 ( 3.611 4.779 -0.588) 6.018 3.791 ( 0.737 4.211 1.015) 4.394 3.946 ( -0.428 -2.412 1.506) 2.876 4.067 ( 1.855 6.416 -3.510) 7.545 4.191 ( -3.145 3.590 1.719) 5.073 4.359 ( -4.238 3.696 0.109) 5.625 4.456 ( -1.473 0.142 -3.334) 3.648 4.536 ( -2.423 -7.333 2.935) 8.262 4.669 ( 6.448 -10.199 -0.123) 12.067 4.841 ( 2.888 6.328 0.591) 6.981 5.007 ( -3.921 -0.616 -1.430) 4.219 5.118 ( 1.703 -5.005 2.433) 5.819 8.819 ( 0.097 0.878 -2.133) 2.309 8.867 ( 0.518 1.882 0.969) 2.179 8.938 ( 0.821 1.956 -4.223) 4.725 9.023 ( -2.337 -2.415 -5.171) 6.167 9.751 ( -1.207 2.661 5.242) 6.001 9.897 ( 2.072 -3.981 2.702) 5.239 21.052 ( 0.445 3.685 0.331) 3.726 21.128 ( 0.542 0.985 -0.791) 1.374 21.212 ( -1.917 -0.498 3.194) 3.758 22.121 ( 0.084 0.628 -7.511) 7.538 22.289 ( -0.298 -0.148 -0.598) 0.685 22.314 ( 0.379 -2.649 0.655) 2.755 ======================= Grid point 149 (43/102) ======================= q-point: (-0.22 0.56 0.14) Boundary mean free path (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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( -6.080 -2.916 1.064) 6.827 1.412 ( -2.499 5.480 4.608) 7.583 1.603 ( 11.386 -1.487 0.981) 11.525 1.754 ( -2.044 -3.206 3.722) 5.321 1.921 ( 4.100 -2.508 7.751) 9.121 2.053 ( -8.666 -1.115 0.149) 8.739 2.186 ( 3.001 -0.949 0.160) 3.152 2.426 ( 13.583 6.102 2.412) 15.085 2.443 ( 2.005 -8.614 -1.384) 8.952 3.100 ( -1.216 1.858 -3.268) 3.951 3.262 ( -8.849 -2.532 4.394) 10.199 3.271 ( -3.475 8.498 -0.651) 9.204 3.607 ( -0.700 -3.156 0.346) 3.251 3.787 ( -4.653 1.727 0.452) 4.983 3.946 ( 1.890 -0.866 0.724) 2.202 4.075 ( -4.275 1.362 -0.842) 4.565 4.244 ( 1.557 3.070 -0.329) 3.458 4.381 ( -1.553 3.803 0.590) 4.150 4.449 ( 1.497 -0.964 -1.160) 2.125 4.456 ( 2.243 4.089 1.734) 4.976 4.650 ( 2.338 -8.942 -2.044) 9.466 4.867 ( -3.532 -0.672 0.918) 3.710 5.025 ( 3.359 3.038 -0.253) 4.536 5.108 ( 3.505 -4.734 2.084) 6.248 8.819 ( -1.032 0.414 -1.953) 2.248 8.853 ( -2.521 1.163 -0.068) 2.777 8.962 ( -1.405 -1.378 -3.033) 3.616 9.018 ( 4.084 1.346 -5.527) 7.003 9.740 ( -2.716 2.788 5.193) 6.490 9.902 ( 2.719 -3.791 2.739) 5.410 21.049 ( -3.855 1.736 0.052) 4.228 21.122 ( -1.349 0.430 0.493) 1.499 21.218 ( 1.609 0.979 1.970) 2.726 22.134 ( 0.723 -0.520 -7.142) 7.197 22.279 ( -0.352 0.456 -0.503) 0.764 22.316 ( 1.921 -1.445 0.430) 2.442 ======================= Grid point 158 (44/102) ======================= q-point: (-0.33 -0.33 0.14) Boundary mean free path (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 2.84e-04 2.84e-04 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( -3.053 -6.107 0.595) 6.854 1.421 ( 3.053 6.107 0.595) 6.854 1.468 ( -0.000 0.000 2.167) 2.167 1.818 ( -1.717 -3.434 7.573) 8.490 1.818 ( 1.717 3.434 7.573) 8.490 2.153 ( 0.000 0.000 3.905) 3.905 2.265 ( 0.000 -0.000 5.045) 5.045 2.296 ( -2.215 -4.430 -5.286) 7.244 2.296 ( 2.215 4.430 -5.286) 7.244 3.121 ( 0.000 0.000 -2.712) 2.712 3.345 ( -1.658 -3.316 3.052) 4.802 3.345 ( 1.658 3.316 3.052) 4.802 3.596 ( 0.000 0.000 -0.837) 0.837 3.879 ( -1.852 -3.705 0.955) 4.251 3.879 ( 1.852 3.705 0.955) 4.251 4.189 ( -2.129 -4.258 -1.740) 5.068 4.189 ( 2.129 4.258 -1.740) 5.068 4.402 ( 0.000 0.000 8.406) 8.406 4.477 ( -0.000 0.000 -8.315) 8.315 4.486 ( -2.931 -5.862 1.365) 6.695 4.486 ( 2.931 5.862 1.365) 6.695 4.967 ( -2.254 -4.509 1.615) 5.293 4.967 ( 2.254 4.509 1.615) 5.293 5.040 ( 0.000 0.000 -2.335) 2.335 8.827 ( 0.000 0.000 -2.957) 2.957 8.899 ( 0.000 0.000 3.280) 3.280 8.973 ( -0.702 -1.403 -5.616) 5.831 8.973 ( 0.702 1.403 -5.616) 5.831 9.818 ( -1.733 -3.466 3.949) 5.532 9.818 ( 1.733 3.466 3.949) 5.532 21.118 ( -0.994 -1.989 -0.429) 2.264 21.118 ( 0.994 1.989 -0.429) 2.264 21.202 ( 0.000 0.000 3.280) 3.280 22.126 ( 0.000 0.000 -6.135) 6.135 22.286 ( -0.099 -0.198 -0.253) 0.336 22.286 ( 0.099 0.198 -0.253) 0.336 ======================= Grid point 182 (45/102) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (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 2.84e-04 2.84e-04 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.713 ( 0.000 0.000 17.173) 17.173 0.713 ( 0.000 -0.000 17.173) 17.173 1.279 ( 0.000 0.000 26.712) 26.712 1.715 ( 0.000 0.000 -13.656) 13.656 1.715 ( 0.000 -0.000 -13.656) 13.656 2.802 ( 0.000 0.000 2.804) 2.804 2.889 ( 0.000 0.000 2.048) 2.048 2.889 ( 0.000 -0.000 2.048) 2.048 3.028 ( 0.000 0.000 3.011) 3.011 3.028 ( 0.000 -0.000 3.011) 3.011 3.326 ( 0.000 -0.000 10.931) 10.931 3.385 ( 0.000 0.000 4.755) 4.755 3.385 ( -0.000 -0.000 4.755) 4.755 3.803 ( 0.000 -0.000 -2.092) 2.092 3.928 ( 0.000 0.000 -3.689) 3.689 3.928 ( -0.000 -0.000 -3.689) 3.689 4.169 ( 0.000 0.000 1.489) 1.489 4.238 ( 0.000 0.000 2.431) 2.431 4.238 ( 0.000 -0.000 2.431) 2.431 4.414 ( 0.000 0.000 -2.911) 2.911 4.414 ( 0.000 -0.000 -2.911) 2.911 4.472 ( -0.000 0.000 -2.407) 2.407 4.799 ( -0.000 0.000 -5.243) 5.243 5.762 ( -0.000 0.000 -5.957) 5.957 8.705 ( 0.000 0.000 -0.585) 0.585 8.705 ( 0.000 -0.000 -0.585) 0.585 8.841 ( 0.000 0.000 0.659) 0.659 8.841 ( -0.000 0.000 0.659) 0.659 10.339 ( 0.000 -0.000 2.667) 2.667 10.538 ( 0.000 -0.000 -2.617) 2.617 20.900 ( 0.000 0.000 -0.371) 0.371 20.900 ( 0.000 -0.000 -0.371) 0.371 20.955 ( 0.000 0.000 0.379) 0.379 20.955 ( 0.000 -0.000 0.379) 0.379 22.380 ( 0.000 -0.000 -0.597) 0.597 22.606 ( 0.000 -0.000 0.013) 0.013 ======================= Grid point 183 (46/102) ======================= q-point: ( 0.11 0.00 0.29) Boundary mean free path (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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( 19.014 -5.153 12.507) 23.335 0.960 ( 8.499 16.218 12.693) 22.280 1.338 ( 5.363 3.711 22.820) 23.734 1.616 ( -2.876 1.105 -13.423) 13.772 1.911 ( 9.884 4.813 -8.667) 13.999 2.743 ( -4.814 -2.937 5.376) 7.792 2.768 ( -9.789 -2.180 2.196) 10.266 2.894 ( 2.470 -3.416 2.577) 4.941 2.955 ( -6.029 0.739 0.414) 6.088 3.083 ( -3.335 -1.483 1.545) 3.963 3.227 ( -5.376 -5.706 2.734) 8.302 3.333 ( 2.671 -1.275 5.782) 6.495 3.462 ( 0.511 4.627 3.745) 5.975 3.820 ( -5.911 -2.010 -2.476) 6.717 3.828 ( 3.050 -5.220 -1.383) 6.202 3.967 ( 2.640 1.702 1.644) 3.545 4.077 ( -8.161 0.697 2.224) 8.488 4.186 ( 0.404 -3.332 1.754) 3.787 4.239 ( -4.501 2.584 2.079) 5.591 4.438 ( 5.793 6.578 -5.804) 10.513 4.496 ( 9.360 -3.137 -0.831) 9.907 4.655 ( 5.892 5.386 -5.729) 9.826 4.835 ( 3.371 1.332 -4.606) 5.862 5.750 ( -1.267 -1.548 -2.664) 3.332 8.709 ( 0.814 0.046 -0.690) 1.069 8.737 ( 1.755 2.118 -2.096) 3.458 8.822 ( -1.150 -0.666 0.469) 1.409 8.868 ( 1.913 1.156 0.563) 2.305 10.273 ( -9.163 -5.413 4.029) 11.380 10.331 ( -9.267 -5.756 3.780) 11.545 20.925 ( 0.085 3.015 -0.762) 3.111 20.940 ( 2.837 -3.648 0.367) 4.636 20.994 ( 5.435 1.249 1.075) 5.679 21.208 ( 16.442 13.724 -10.317) 23.772 22.360 ( -1.648 -0.768 -0.746) 1.965 22.579 ( -2.141 -1.231 0.448) 2.509 ======================= Grid point 184 (47/102) ======================= q-point: ( 0.22 0.00 0.29) Boundary mean free path (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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( 16.477 -0.267 11.468) 20.076 1.221 ( 4.921 9.258 7.028) 12.622 1.529 ( 8.355 1.711 6.421) 10.676 1.705 ( 8.769 10.590 -4.594) 14.496 2.105 ( 7.038 1.643 -1.439) 7.369 2.513 ( -14.789 -4.716 1.691) 15.615 2.600 ( -7.728 -1.622 7.222) 10.701 2.742 ( -14.344 -6.017 -0.666) 15.569 2.863 ( -1.747 -6.607 5.859) 9.002 2.990 ( -3.056 1.415 4.312) 5.472 3.081 ( -5.373 -0.963 -4.198) 6.887 3.407 ( 6.014 -6.834 -0.283) 9.108 3.499 ( -0.551 6.267 1.377) 6.440 3.698 ( -3.510 -2.834 -3.107) 5.478 3.873 ( 4.671 -1.168 -0.612) 4.853 3.943 ( -2.457 -0.609 4.071) 4.794 4.086 ( 0.901 2.543 5.328) 5.972 4.156 ( 1.022 0.426 1.288) 1.699 4.250 ( 0.738 5.372 0.562) 5.452 4.581 ( 5.143 1.509 -4.835) 7.218 4.631 ( 7.153 -1.120 -0.651) 7.269 4.752 ( 1.759 2.955 -8.753) 9.404 4.911 ( 2.527 0.674 -3.696) 4.527 5.662 ( -5.324 -4.698 4.023) 8.161 8.732 ( 1.265 0.396 -0.996) 1.658 8.784 ( 0.514 0.782 -2.044) 2.248 8.809 ( 0.333 1.904 -2.268) 2.980 8.923 ( 2.466 1.517 0.224) 2.904 9.989 ( -9.275 -6.396 8.899) 14.357 10.199 ( -5.291 -3.490 1.367) 6.484 20.937 ( 0.689 -0.309 0.688) 1.021 20.987 ( 3.142 0.751 -1.084) 3.407 21.128 ( 6.931 2.707 3.982) 8.440 21.592 ( 11.478 9.616 -16.217) 22.073 22.317 ( -2.001 -0.640 -1.013) 2.332 22.517 ( -2.968 -1.744 0.993) 3.583 ======================= Grid point 185 (48/102) ======================= q-point: ( 0.33 0.00 0.29) Boundary mean free path (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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( 3.462 0.027 7.854) 8.583 1.371 ( 3.252 7.561 4.357) 9.313 1.649 ( 5.874 0.513 1.646) 6.122 1.946 ( 5.007 -1.341 1.288) 5.341 2.139 ( -1.348 -2.149 -1.404) 2.899 2.247 ( -8.484 0.428 3.739) 9.281 2.428 ( -9.799 -1.454 3.803) 10.611 2.562 ( 1.591 0.359 4.820) 5.088 2.749 ( -5.305 -3.113 5.880) 8.509 2.874 ( -2.834 -9.158 0.976) 9.636 3.096 ( -1.515 8.494 -1.685) 8.791 3.372 ( -3.195 -0.577 -1.095) 3.427 3.577 ( 3.828 -0.668 0.010) 3.885 3.679 ( 2.215 1.423 -6.149) 6.689 3.831 ( -2.968 -3.220 3.373) 5.527 4.000 ( 3.178 2.077 1.117) 3.958 4.105 ( 2.507 0.191 6.231) 6.720 4.221 ( 1.831 1.586 -4.247) 4.889 4.345 ( 3.349 5.786 2.135) 7.018 4.648 ( 4.006 -4.128 -2.287) 6.190 4.695 ( -0.365 0.708 -1.847) 2.011 4.813 ( 2.277 0.373 -7.403) 7.754 4.933 ( 1.417 1.224 -1.857) 2.637 5.483 ( -8.171 -5.758 7.275) 12.363 8.744 ( 0.392 -0.862 -0.493) 1.068 8.809 ( 1.335 1.904 -1.993) 3.062 8.841 ( -0.012 2.224 -3.723) 4.337 8.979 ( 2.085 1.567 -1.012) 2.798 9.842 ( -2.696 -2.956 6.514) 7.645 10.067 ( -5.087 -3.739 1.051) 6.400 20.951 ( 1.358 -0.692 1.167) 1.920 21.048 ( 2.335 1.350 -1.402) 3.040 21.265 ( 4.784 2.548 5.697) 7.863 21.802 ( 5.185 4.598 -14.220) 15.819 22.287 ( -0.849 -0.148 -1.061) 1.367 22.449 ( -2.787 -1.418 0.968) 3.274 ======================= Grid point 186 (49/102) ======================= q-point: ( 0.44 0.00 0.29) Boundary mean free path (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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( -7.777 -2.402 5.098) 9.604 1.462 ( 0.990 4.372 0.223) 4.489 1.768 ( 6.621 0.230 5.260) 8.459 1.904 ( -3.806 -4.492 5.392) 7.984 2.075 ( 0.478 -1.198 1.884) 2.283 2.212 ( -3.113 3.322 -1.036) 4.669 2.376 ( 0.919 5.820 5.656) 8.167 2.585 ( -9.561 1.599 6.869) 11.881 2.672 ( 6.575 -3.287 0.759) 7.390 2.778 ( 4.371 -11.054 0.162) 11.888 3.138 ( -2.114 6.186 -0.420) 6.551 3.316 ( -5.835 5.181 -0.363) 7.812 3.597 ( 1.897 -5.343 -0.746) 5.719 3.701 ( -2.751 0.401 3.619) 4.564 3.848 ( 5.908 3.194 -7.948) 10.406 4.037 ( 1.036 -0.330 3.157) 3.339 4.137 ( -1.102 -1.120 1.595) 2.239 4.282 ( 5.386 1.113 -4.982) 7.421 4.450 ( 1.943 2.844 3.427) 4.858 4.600 ( -5.644 -5.159 -0.765) 7.685 4.659 ( 0.342 -1.542 -2.081) 2.612 4.816 ( 0.097 -0.974 -4.337) 4.446 5.056 ( 7.104 4.201 1.033) 8.318 5.291 ( -7.003 -3.594 4.778) 9.208 8.742 ( 0.571 -0.982 -0.160) 1.147 8.834 ( -1.486 1.996 -2.646) 3.632 8.864 ( 1.054 1.120 -2.861) 3.248 9.024 ( 1.168 1.338 -2.520) 3.083 9.802 ( -0.439 -1.595 4.221) 4.534 9.966 ( -1.979 -2.295 1.757) 3.503 20.966 ( 1.108 -0.758 1.398) 1.939 21.089 ( 0.703 1.191 -1.324) 1.915 21.324 ( 0.309 -0.085 5.208) 5.218 21.905 ( 3.030 2.646 -11.362) 12.053 22.280 ( 0.122 -0.421 -0.330) 0.549 22.396 ( -2.013 -0.240 0.246) 2.042 ======================= Grid point 187 (50/102) ======================= q-point: (-0.44 0.00 0.29) Boundary mean free path (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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( -0.224 1.724 3.896) 4.266 1.497 ( -0.596 -0.911 4.268) 4.404 1.762 ( -2.705 -1.128 3.426) 4.508 1.884 ( 4.570 0.020 4.385) 6.333 2.134 ( 4.044 -0.053 2.930) 4.994 2.183 ( -5.943 8.858 -2.061) 10.865 2.408 ( -6.711 1.126 7.891) 10.419 2.537 ( 5.920 6.462 3.480) 9.430 2.717 ( 3.372 -7.018 -0.717) 7.819 2.796 ( 8.090 -8.230 2.906) 11.900 3.157 ( -2.950 6.323 -0.513) 6.996 3.264 ( -5.760 4.700 -0.877) 7.486 3.549 ( -0.551 -5.804 1.971) 6.155 3.665 ( -1.143 0.727 -0.864) 1.607 3.950 ( -1.506 1.691 -0.021) 2.265 4.060 ( 4.060 -0.183 -7.696) 8.703 4.097 ( 0.607 -2.495 2.678) 3.710 4.336 ( -5.035 -4.739 2.761) 7.445 4.416 ( 3.499 -1.131 -2.134) 4.252 4.540 ( -0.562 -0.076 1.730) 1.821 4.649 ( -2.632 3.280 -1.002) 4.323 4.805 ( 1.245 -3.680 -4.495) 5.941 5.080 ( -4.848 -2.939 1.118) 5.779 5.317 ( 7.858 5.817 3.607) 10.421 8.744 ( 0.624 -0.745 -0.118) 0.979 8.816 ( -1.854 0.915 -1.976) 2.860 8.880 ( -0.510 0.565 -3.469) 3.551 9.039 ( -0.760 0.379 -3.065) 3.180 9.775 ( -0.156 -1.391 4.856) 5.054 9.973 ( 3.244 0.736 1.634) 3.706 20.969 ( -0.141 -0.573 1.452) 1.568 21.092 ( -1.080 0.068 -1.518) 1.865 21.285 ( -2.545 -2.554 4.638) 5.875 21.957 ( 0.243 0.435 -10.982) 10.993 22.272 ( -0.857 0.103 0.106) 0.870 22.388 ( 0.972 1.014 0.102) 1.408 ======================= Grid point 188 (51/102) ======================= q-point: (-0.33 0.00 0.29) Boundary mean free path (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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( -5.835 -6.522 4.154) 9.688 1.381 ( -7.064 -5.144 12.877) 15.562 1.824 ( -5.416 1.739 -3.537) 6.698 1.902 ( 4.574 1.801 0.013) 4.916 2.194 ( 0.602 -3.465 5.841) 6.818 2.247 ( 4.817 9.486 -1.196) 10.706 2.373 ( 0.401 8.657 6.179) 10.643 2.657 ( -3.643 1.917 4.662) 6.219 2.734 ( 10.296 -0.525 0.911) 10.350 2.890 ( 11.954 -7.747 3.299) 14.622 3.144 ( -7.286 8.578 -0.808) 11.284 3.239 ( 0.437 1.033 -2.716) 2.938 3.470 ( -1.432 -5.812 0.388) 5.998 3.689 ( 1.461 3.390 0.280) 3.702 3.915 ( 0.290 -1.038 0.385) 1.145 4.021 ( -5.834 -2.074 0.516) 6.214 4.158 ( 1.637 0.076 3.383) 3.759 4.225 ( 0.977 -3.046 -3.109) 4.461 4.437 ( -4.074 -0.710 0.630) 4.183 4.504 ( 1.152 -4.666 -2.358) 5.353 4.622 ( -5.063 4.215 -0.701) 6.625 4.793 ( 2.317 -4.385 -4.495) 6.694 4.971 ( -4.465 -1.915 -1.704) 5.148 5.522 ( 8.244 4.745 5.018) 10.754 8.746 ( 0.181 -0.579 -0.489) 0.780 8.797 ( -1.007 0.755 -1.323) 1.826 8.857 ( -2.071 -0.318 -4.153) 4.652 8.999 ( -3.265 -1.051 -2.030) 3.986 9.804 ( 4.366 1.201 7.447) 8.716 10.070 ( 5.454 2.355 1.051) 6.033 20.949 ( -1.537 -0.332 1.222) 1.992 21.056 ( -1.863 -1.528 -1.604) 2.894 21.200 ( -3.426 -3.688 4.367) 6.664 21.888 ( -6.977 -3.215 -13.057) 15.149 22.273 ( 0.361 1.579 -0.683) 1.758 22.442 ( 3.129 1.696 0.791) 3.646 ======================= Grid point 189 (52/102) ======================= q-point: (-0.22 0.00 0.29) Boundary mean free path (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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( -7.504 -11.601 7.778) 15.855 1.214 ( -6.594 -3.115 16.373) 17.923 1.602 ( -13.272 -4.580 -1.794) 14.155 1.947 ( -4.118 0.231 -8.037) 9.033 1.981 ( -12.623 -9.113 7.006) 17.073 2.510 ( 11.880 7.447 1.989) 14.162 2.571 ( 6.607 7.289 7.097) 12.130 2.753 ( 4.822 16.222 2.643) 17.129 2.868 ( 7.434 -3.413 0.799) 8.219 3.048 ( 10.934 -5.057 0.147) 12.047 3.115 ( -1.220 4.432 0.640) 4.641 3.298 ( 4.656 1.776 -1.622) 5.241 3.388 ( -1.967 -3.984 1.867) 4.819 3.759 ( -0.622 4.418 2.859) 5.299 3.890 ( -2.328 -2.204 -0.094) 3.208 3.962 ( 3.668 1.592 0.158) 4.001 4.128 ( -2.450 -1.537 4.227) 5.122 4.250 ( -1.387 -1.418 -0.968) 2.207 4.295 ( -5.945 -0.814 0.399) 6.014 4.473 ( 0.083 -5.722 -5.526) 7.956 4.554 ( -5.190 0.487 -1.344) 5.383 4.794 ( 1.212 -2.642 -3.826) 4.805 4.866 ( -5.359 -2.218 -3.441) 6.744 5.681 ( 5.543 2.042 2.745) 6.513 8.734 ( -0.567 -0.889 -0.939) 1.412 8.791 ( -2.631 1.148 -2.616) 3.884 8.816 ( -0.052 -0.798 -1.989) 2.144 8.919 ( -3.594 -1.576 0.019) 3.924 9.970 ( 11.031 5.353 9.460) 15.486 10.197 ( 5.635 2.827 1.374) 6.452 20.915 ( -1.697 -0.403 0.614) 1.849 21.009 ( -1.326 -1.921 -0.895) 2.500 21.093 ( -3.879 -4.512 2.849) 6.597 21.640 ( -15.816 -6.500 -15.238) 22.904 22.311 ( 1.799 1.719 -0.952) 2.664 22.518 ( 3.154 1.779 0.817) 3.713 ======================= Grid point 190 (53/102) ======================= q-point: (-0.11 0.00 0.29) Boundary mean free path (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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.682 ( -0.394 -9.203 13.832) 16.619 1.019 ( -14.723 -4.902 15.219) 21.735 1.345 ( -7.497 -3.336 16.141) 18.107 1.709 ( -7.712 -0.982 -6.175) 9.928 1.850 ( -4.575 -4.491 -11.240) 12.940 2.728 ( 5.617 3.902 4.813) 8.363 2.762 ( 7.861 6.382 3.402) 10.682 2.882 ( 1.860 -0.821 1.575) 2.572 2.979 ( 0.913 3.186 1.965) 3.853 3.112 ( -0.267 1.355 -0.832) 1.613 3.226 ( 8.325 -0.443 4.318) 9.389 3.328 ( 1.874 -2.017 5.239) 5.919 3.416 ( -0.193 3.997 2.277) 4.604 3.765 ( 3.907 3.660 1.944) 5.696 3.920 ( 1.379 -6.846 -1.633) 7.172 3.973 ( -4.816 -0.020 0.138) 4.818 4.100 ( 3.689 2.623 1.674) 4.827 4.180 ( -1.904 6.896 -1.069) 7.233 4.287 ( -0.222 0.299 1.301) 1.353 4.379 ( -2.272 -7.073 -2.763) 7.926 4.466 ( -3.245 -2.211 -2.436) 4.621 4.681 ( -8.993 -4.857 -3.209) 10.713 4.812 ( -0.327 -0.754 -5.290) 5.353 5.753 ( 1.605 0.147 -2.832) 3.258 8.714 ( -0.394 -1.060 -0.823) 1.399 8.734 ( -2.942 -0.161 -2.058) 3.594 8.833 ( 0.900 0.369 0.236) 1.001 8.858 ( -1.796 -0.869 0.798) 2.149 10.271 ( 9.860 5.559 4.214) 12.079 10.329 ( 9.487 5.084 3.740) 11.394 20.892 ( -0.261 -0.288 0.039) 0.391 20.971 ( -1.449 -1.659 -0.414) 2.241 20.987 ( -2.018 -4.292 0.834) 4.815 21.218 ( -21.339 -8.217 -10.127) 25.009 22.359 ( 1.598 1.111 -0.740) 2.082 22.580 ( 2.056 1.195 0.395) 2.411 ======================= Grid point 192 (54/102) ======================= q-point: ( 0.11 0.11 0.29) Boundary mean free path (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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( 14.118 6.857 8.952) 18.068 1.206 ( 5.596 6.737 16.120) 18.345 1.515 ( 3.578 12.935 2.850) 13.720 1.771 ( -2.023 12.015 -1.292) 12.253 2.014 ( 7.347 5.356 -5.212) 10.480 2.611 ( -3.624 -7.546 6.734) 10.744 2.705 ( 0.959 -11.622 1.694) 11.784 2.742 ( -9.317 -4.024 3.810) 10.841 2.930 ( -10.776 -6.479 -0.044) 12.574 3.073 ( 0.602 1.044 1.088) 1.624 3.130 ( 0.347 -13.390 1.406) 13.468 3.200 ( -0.427 1.734 -0.192) 1.796 3.502 ( 5.693 -3.161 4.311) 7.810 3.782 ( -7.301 1.337 -5.064) 8.985 3.814 ( 2.935 3.495 1.289) 4.742 3.961 ( -1.538 -0.334 1.237) 2.002 4.137 ( -0.298 1.458 3.127) 3.463 4.224 ( -3.632 4.236 2.409) 6.078 4.297 ( 2.169 3.887 1.882) 4.833 4.403 ( 5.084 -2.935 0.172) 5.873 4.554 ( 4.034 3.780 -8.830) 10.418 4.791 ( 0.715 6.213 -3.775) 7.305 4.846 ( 3.937 -0.116 -4.040) 5.642 5.688 ( -3.421 -4.535 2.158) 6.077 8.724 ( 0.548 1.071 -0.842) 1.468 8.792 ( 0.379 2.117 -2.693) 3.446 8.818 ( 0.769 0.918 -2.169) 2.477 8.902 ( 1.641 2.432 0.717) 3.020 10.041 ( -6.766 -12.897 9.557) 17.420 10.228 ( -3.093 -5.472 1.641) 6.496 20.914 ( 1.257 1.009 -0.163) 1.620 20.982 ( -0.037 1.981 0.505) 2.045 21.053 ( 4.523 4.721 1.749) 6.768 21.552 ( 7.979 16.730 -15.065) 23.885 22.332 ( -0.817 -1.690 -1.011) 2.132 22.535 ( -1.818 -3.018 0.750) 3.602 ======================= Grid point 193 (55/102) ======================= q-point: ( 0.22 0.11 0.29) Boundary mean free path (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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( 14.911 6.230 7.124) 17.661 1.373 ( 6.112 6.664 12.874) 15.733 1.640 ( -0.768 7.193 -4.620) 8.583 1.910 ( 1.076 7.196 2.962) 7.856 2.109 ( 1.461 -0.090 -1.315) 1.968 2.426 ( -11.968 -4.077 1.649) 12.751 2.494 ( -3.767 -13.712 2.052) 14.367 2.590 ( -5.235 -4.860 2.200) 7.474 2.673 ( -3.614 -9.944 8.658) 13.672 2.940 ( -7.248 -0.752 2.022) 7.562 3.210 ( 3.473 5.637 -3.164) 7.338 3.270 ( 7.541 -3.119 2.174) 8.445 3.552 ( 2.920 -0.259 1.625) 3.352 3.726 ( -4.316 6.256 -8.512) 11.411 3.840 ( -1.296 -2.017 -1.139) 2.654 3.988 ( 1.364 3.933 3.735) 5.593 4.091 ( -1.595 -0.492 4.322) 4.633 4.256 ( -0.755 5.345 3.160) 6.255 4.367 ( 0.875 5.413 1.150) 5.603 4.472 ( 8.055 -6.445 -1.685) 10.453 4.664 ( 5.060 0.372 -6.135) 7.961 4.820 ( -2.064 3.082 -4.831) 6.091 4.902 ( 2.448 -1.309 -2.622) 3.819 5.543 ( -6.206 -6.577 6.388) 11.071 8.739 ( -0.058 0.100 -0.757) 0.766 8.801 ( 1.028 1.416 -1.217) 2.131 8.872 ( 0.643 3.407 -6.368) 7.251 8.955 ( 1.960 1.712 0.588) 2.668 9.853 ( -3.363 -5.896 8.452) 10.840 10.105 ( -4.313 -5.482 1.074) 7.057 20.942 ( 0.212 1.874 0.579) 1.973 21.023 ( 2.303 1.752 -0.484) 2.934 21.197 ( 5.933 3.586 4.299) 8.157 21.784 ( 4.109 8.183 -14.457) 17.113 22.304 ( -1.060 -0.437 -1.400) 1.810 22.466 ( -2.081 -3.210 1.098) 3.980 ======================= Grid point 194 (56/102) ======================= q-point: ( 0.33 0.11 0.29) Boundary mean free path (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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( -1.972 6.737 5.588) 8.972 1.524 ( 0.151 6.637 5.952) 8.916 1.684 ( 3.016 2.106 1.689) 4.048 1.827 ( -0.362 -7.556 3.200) 8.214 2.121 ( -6.212 -2.179 -0.916) 6.647 2.261 ( -3.136 0.662 1.879) 3.715 2.357 ( 5.215 -5.602 1.509) 7.801 2.507 ( -0.229 -8.134 5.823) 10.007 2.578 ( 2.494 -6.638 4.821) 8.574 2.839 ( -6.828 5.003 -0.274) 8.470 3.262 ( -4.035 5.517 2.044) 7.134 3.389 ( 6.925 0.568 0.672) 6.980 3.580 ( -4.411 2.116 -2.878) 5.676 3.721 ( 0.023 0.423 0.351) 0.550 3.828 ( 1.178 5.304 -6.526) 8.491 3.991 ( 0.585 -2.569 1.881) 3.237 4.153 ( 2.656 3.777 6.787) 8.208 4.263 ( -2.117 2.270 -5.332) 6.169 4.437 ( 2.045 1.877 3.517) 4.481 4.547 ( 7.208 -6.202 -1.814) 9.680 4.677 ( -4.087 -0.081 -1.404) 4.323 4.798 ( -1.129 -1.968 -5.096) 5.578 4.964 ( 6.379 1.631 -0.179) 6.587 5.360 ( -6.585 -6.166 5.538) 10.585 8.733 ( -0.168 -0.266 -0.501) 0.592 8.850 ( 1.858 2.052 -2.399) 3.663 8.891 ( -1.785 2.478 -4.847) 5.729 9.004 ( 2.052 0.778 -1.308) 2.554 9.790 ( -0.153 -1.742 5.776) 6.035 9.980 ( -3.457 -4.567 1.526) 5.928 20.964 ( -0.088 2.329 0.936) 2.511 21.083 ( 2.023 1.758 -0.818) 2.802 21.299 ( 2.654 0.488 5.097) 5.767 21.892 ( 2.158 4.102 -11.731) 12.614 22.284 ( -0.955 -0.046 -1.326) 1.634 22.408 ( -1.035 -2.612 0.936) 2.961 ======================= Grid point 195 (57/102) ======================= q-point: ( 0.44 0.11 0.29) Boundary mean free path (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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( -8.611 8.508 3.341) 12.558 1.529 ( -2.580 2.810 1.474) 4.090 1.783 ( 4.140 0.926 6.538) 7.794 1.835 ( -0.616 -1.887 5.163) 5.531 2.016 ( 4.562 -3.984 0.790) 6.108 2.230 ( 0.758 -2.147 -1.031) 2.500 2.407 ( 1.336 -4.438 8.919) 10.052 2.497 ( 7.510 -5.390 -0.304) 9.249 2.564 ( 2.334 -4.896 4.637) 7.136 2.804 ( -5.831 10.259 -1.511) 11.897 3.217 ( -3.741 1.021 1.045) 4.016 3.456 ( -7.579 1.725 -1.655) 7.947 3.519 ( 3.743 3.051 2.123) 5.275 3.702 ( -2.665 0.180 -0.446) 2.708 3.966 ( 4.126 7.985 -7.811) 11.908 3.999 ( 3.642 -3.322 3.546) 6.072 4.114 ( -7.392 -1.083 -0.652) 7.500 4.311 ( 3.323 1.327 -1.048) 3.729 4.412 ( -3.372 -4.856 3.224) 6.734 4.567 ( 0.187 0.257 -0.244) 0.400 4.653 ( 2.024 -0.851 0.508) 2.253 4.752 ( -0.495 -2.577 -4.654) 5.343 5.098 ( 2.026 -0.526 2.111) 2.973 5.237 ( 2.131 -1.610 2.182) 3.449 8.732 ( 0.282 -0.158 -0.500) 0.595 8.868 ( -2.617 1.172 -3.094) 4.218 8.893 ( 0.365 1.876 -3.178) 3.709 9.036 ( 1.021 -0.247 -2.850) 3.038 9.776 ( -0.937 -0.770 4.512) 4.672 9.923 ( 1.569 -1.814 2.291) 3.317 20.984 ( -0.574 2.453 1.081) 2.741 21.115 ( -0.384 0.973 -1.330) 1.691 21.297 ( -1.281 -2.203 4.939) 5.558 21.954 ( 0.984 1.865 -10.332) 10.545 22.278 ( 0.239 0.437 0.109) 0.510 22.377 ( 0.091 -1.693 -0.112) 1.699 ======================= Grid point 197 (58/102) ======================= q-point: (-0.44 0.11 0.29) Boundary mean free path (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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( -9.735 4.100 1.879) 10.729 1.476 ( -7.297 0.428 9.817) 12.239 1.836 ( 6.612 8.567 -0.690) 10.844 1.875 ( 1.591 -2.273 2.947) 4.047 2.090 ( 3.920 -3.562 3.177) 6.177 2.247 ( 4.109 -3.120 -1.997) 5.532 2.420 ( 4.423 -1.157 7.270) 8.588 2.506 ( 2.734 -3.673 5.262) 6.975 2.622 ( 8.961 -6.121 1.026) 10.900 2.827 ( -4.945 11.941 1.362) 12.996 3.179 ( 1.038 -3.715 -0.838) 3.948 3.345 ( -6.361 1.362 1.209) 6.616 3.545 ( -7.031 4.560 -0.271) 8.384 3.710 ( 2.579 4.233 -4.078) 6.419 3.941 ( -6.498 -2.751 -0.628) 7.084 4.042 ( 3.159 -2.153 3.056) 4.894 4.101 ( 2.977 4.103 -3.886) 6.388 4.251 ( -5.117 -3.385 3.440) 7.034 4.399 ( 1.988 -0.226 -0.697) 2.119 4.545 ( -3.108 -1.461 3.077) 4.612 4.652 ( 0.801 -4.199 -4.754) 6.393 4.762 ( 0.795 3.312 -1.951) 3.926 5.010 ( -3.841 -4.335 -1.697) 6.035 5.394 ( 9.891 1.788 4.757) 11.120 8.738 ( 0.443 -0.025 -0.694) 0.823 8.831 ( -2.327 0.483 -1.922) 3.056 8.898 ( -1.661 1.371 -4.127) 4.655 9.027 ( -1.219 -1.486 -2.835) 3.425 9.762 ( 0.937 0.087 6.398) 6.467 9.986 ( 5.478 0.484 1.538) 5.710 20.988 ( -1.793 2.230 0.957) 3.017 21.081 ( -2.583 -1.809 -1.536) 3.508 21.237 ( -3.243 -1.184 4.996) 6.073 21.945 ( -2.624 -1.441 -11.490) 11.874 22.291 ( -0.326 1.460 0.068) 1.497 22.392 ( 3.180 -0.446 0.034) 3.212 ======================= Grid point 198 (59/102) ======================= q-point: (-0.33 0.11 0.29) Boundary mean free path (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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( -14.900 1.585 3.576) 15.405 1.329 ( -8.295 0.687 14.577) 16.786 1.765 ( -8.296 -6.100 -1.515) 10.408 1.972 ( -5.464 0.213 -0.796) 5.526 2.104 ( -0.090 -2.149 1.429) 2.583 2.362 ( 12.389 5.728 1.430) 13.724 2.545 ( 4.049 3.756 7.865) 9.610 2.587 ( 13.792 -5.553 2.470) 15.072 2.754 ( 13.525 -6.126 1.037) 14.884 2.893 ( -1.025 14.123 2.761) 14.427 3.145 ( 0.644 -7.406 0.955) 7.495 3.262 ( -4.926 1.749 -1.981) 5.590 3.466 ( -4.283 4.161 -0.151) 5.973 3.784 ( -0.274 3.031 -1.874) 3.574 3.868 ( 1.006 -2.683 -2.765) 3.982 4.022 ( -5.299 -0.585 1.813) 5.631 4.130 ( 1.679 -1.982 5.111) 5.733 4.219 ( 0.722 3.850 -0.928) 4.026 4.393 ( -1.523 -2.834 0.107) 3.219 4.441 ( -4.809 -2.952 3.341) 6.558 4.609 ( -2.013 -1.311 -7.669) 8.036 4.813 ( -0.279 4.743 -2.058) 5.178 4.910 ( -3.171 -3.975 -3.630) 6.248 5.567 ( 8.455 0.083 5.290) 9.974 8.741 ( -0.347 -0.054 -0.930) 0.994 8.804 ( -0.624 -0.205 -1.031) 1.222 8.866 ( -3.380 1.175 -5.147) 6.269 8.968 ( -3.221 -1.688 -1.005) 3.772 9.836 ( 6.979 1.529 8.885) 11.401 10.105 ( 6.766 0.944 1.107) 6.921 20.958 ( -3.108 0.336 -0.213) 3.133 21.020 ( -1.694 -1.575 0.444) 2.355 21.156 ( -5.523 0.080 3.475) 6.526 21.821 ( -9.293 -2.943 -13.916) 16.990 22.303 ( 0.607 0.963 -1.018) 1.527 22.463 ( 4.214 0.485 0.783) 4.314 ======================= Grid point 203 (60/102) ======================= q-point: ( 0.22 0.22 0.29) Boundary mean free path (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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( 11.034 7.728 4.459) 14.190 1.518 ( 7.442 7.687 10.677) 15.115 1.759 ( -6.217 3.629 -0.422) 7.211 1.930 ( -12.833 -4.680 2.022) 13.808 2.115 ( 9.712 -8.932 -1.709) 13.305 2.184 ( -3.841 -3.764 -0.850) 5.444 2.348 ( -7.059 -2.998 2.950) 8.217 2.478 ( -5.485 -8.033 9.997) 13.948 2.531 ( -2.651 -2.566 2.103) 4.247 2.995 ( -2.207 5.145 -0.667) 5.639 3.173 ( 11.443 -2.346 2.527) 11.951 3.344 ( -0.270 2.886 2.695) 3.958 3.614 ( 5.673 6.203 -3.474) 9.095 3.759 ( -4.132 -4.505 -6.066) 8.612 3.889 ( 1.359 7.958 -3.654) 8.862 3.994 ( -3.924 -3.121 2.458) 5.584 4.151 ( 1.852 5.254 4.206) 6.980 4.288 ( 6.515 -3.225 2.220) 7.600 4.395 ( -0.153 1.009 2.478) 2.680 4.439 ( -2.998 1.227 -2.215) 3.924 4.665 ( 2.887 -1.051 -3.983) 5.030 4.840 ( 1.616 -1.022 0.423) 1.958 4.908 ( -2.099 3.436 -4.313) 5.900 5.398 ( -5.751 -7.879 5.488) 11.193 8.736 ( -0.395 -0.306 -1.007) 1.124 8.839 ( 1.801 2.199 -2.134) 3.554 8.925 ( 1.361 1.528 -7.043) 7.334 8.992 ( -0.276 1.740 0.289) 1.785 9.773 ( -0.083 -1.850 6.885) 7.130 9.990 ( -3.352 -5.480 1.466) 6.589 21.013 ( -0.612 4.660 -0.419) 4.719 21.049 ( 2.759 0.805 0.491) 2.916 21.252 ( 3.366 1.566 4.606) 5.916 21.911 ( 0.842 4.549 -11.669) 12.552 22.305 ( -0.432 0.446 -1.254) 1.399 22.390 ( -1.469 -4.046 0.962) 4.410 ======================= Grid point 204 (61/102) ======================= q-point: ( 0.33 0.22 0.29) Boundary mean free path (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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( -1.660 2.482 4.800) 5.653 1.667 ( -8.097 7.644 0.651) 11.155 1.675 ( 4.278 -3.084 8.618) 10.103 1.757 ( 4.076 3.555 1.624) 5.647 2.008 ( -4.231 -8.260 2.189) 9.535 2.219 ( 1.263 -1.365 -2.269) 2.934 2.302 ( -2.509 -8.959 8.516) 12.612 2.345 ( 6.410 1.455 0.746) 6.615 2.481 ( -0.139 -4.915 1.913) 5.276 3.018 ( -4.013 11.625 -0.048) 12.299 3.310 ( -4.411 0.065 4.131) 6.044 3.377 ( 10.956 -1.718 1.805) 11.236 3.581 ( -6.886 -3.503 -6.528) 10.114 3.751 ( 0.984 4.122 0.826) 4.317 3.916 ( 0.228 -3.924 0.714) 3.995 4.026 ( 1.325 11.397 -6.075) 12.983 4.225 ( -0.592 2.740 6.348) 6.939 4.316 ( -3.549 3.076 -5.095) 6.930 4.376 ( 1.142 -6.786 3.129) 7.559 4.454 ( 6.841 -1.661 0.117) 7.040 4.620 ( -1.759 -7.354 -1.360) 7.683 4.838 ( -5.069 6.978 -0.950) 8.678 4.995 ( 8.321 1.273 0.589) 8.438 5.223 ( -4.639 -7.643 2.264) 9.223 8.729 ( -0.091 -0.197 -1.085) 1.107 8.894 ( 1.321 2.234 -3.745) 4.556 8.931 ( -1.965 1.254 -5.618) 6.082 9.007 ( 1.270 -0.476 -0.310) 1.392 9.781 ( 0.655 0.813 4.905) 5.015 9.892 ( -1.560 -4.013 2.567) 5.013 21.038 ( -1.406 4.402 0.253) 4.628 21.110 ( 2.198 0.812 -0.598) 2.418 21.282 ( 0.405 -1.878 4.704) 5.081 21.964 ( 0.768 2.778 -9.513) 9.940 22.288 ( -1.238 0.450 -0.759) 1.520 22.347 ( 0.484 -3.109 0.527) 3.190 ======================= Grid point 205 (62/102) ======================= q-point: (-0.56 0.22 0.29) Boundary mean free path (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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( -6.418 4.370 4.006) 8.737 1.630 ( -3.008 4.558 5.498) 7.750 1.770 ( 0.492 -2.328 3.894) 4.564 1.859 ( 1.103 2.856 2.265) 3.808 1.911 ( 8.205 -4.515 0.403) 9.374 2.208 ( -2.832 1.987 0.510) 3.497 2.270 ( 7.224 -5.496 7.157) 11.560 2.429 ( 2.203 -7.651 1.936) 8.194 2.465 ( 5.217 -0.140 0.914) 5.299 3.068 ( -6.205 12.491 1.136) 13.994 3.188 ( -5.561 -2.164 1.382) 6.125 3.397 ( -1.669 -3.625 2.217) 4.565 3.622 ( 8.658 1.355 -5.252) 10.217 3.732 ( -6.409 2.528 -1.072) 6.972 3.927 ( 4.559 -2.869 1.411) 5.569 4.087 ( -10.443 -1.101 -1.295) 10.580 4.156 ( -0.611 9.307 -4.503) 10.357 4.288 ( -2.306 -2.575 6.306) 7.191 4.378 ( 2.132 1.758 0.602) 2.828 4.505 ( -0.543 -9.649 -1.470) 9.775 4.583 ( 6.703 1.022 -1.552) 6.956 4.831 ( -3.904 6.897 0.063) 7.925 5.020 ( -3.650 -6.675 -0.657) 7.636 5.224 ( 9.903 -0.007 2.668) 10.257 8.730 ( 0.350 -0.093 -1.136) 1.192 8.886 ( -3.000 0.676 -3.562) 4.706 8.933 ( -0.272 1.768 -5.060) 5.366 9.015 ( 0.523 -1.591 -1.106) 2.007 9.772 ( -1.679 0.350 5.046) 5.330 9.896 ( 4.412 -0.876 2.552) 5.172 21.052 ( -1.775 3.681 0.456) 4.112 21.105 ( -2.391 -2.274 -1.221) 3.518 21.265 ( -0.241 -0.239 5.029) 5.041 21.973 ( -1.682 0.057 -9.647) 9.793 22.303 ( 1.064 1.808 0.592) 2.180 22.332 ( 1.509 -2.400 -0.605) 2.898 ======================= Grid point 209 (63/102) ======================= q-point: (-0.11 0.22 0.29) Boundary mean free path (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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( -15.323 5.406 9.419) 18.781 1.152 ( -3.003 9.302 14.967) 17.876 1.506 ( -8.785 12.955 1.341) 15.710 1.691 ( 6.135 11.689 -1.807) 13.324 2.041 ( -8.375 6.072 -2.337) 10.605 2.560 ( 6.056 -10.705 3.103) 12.684 2.653 ( 5.996 -7.918 7.595) 12.504 2.726 ( 3.470 -15.808 -1.275) 16.234 2.927 ( 3.542 -4.279 2.319) 6.019 2.998 ( 6.322 -1.646 1.183) 6.639 3.179 ( 5.869 -3.432 -0.331) 6.807 3.364 ( -7.195 0.174 2.580) 7.646 3.490 ( -4.913 2.052 1.144) 5.446 3.674 ( 2.952 -4.246 0.400) 5.187 3.877 ( 1.467 -1.964 -0.323) 2.472 4.050 ( -0.078 3.479 2.507) 4.289 4.082 ( 2.816 6.377 1.356) 7.102 4.125 ( -1.904 -1.881 1.788) 3.219 4.284 ( 5.251 7.060 1.914) 9.004 4.429 ( -6.343 -2.861 -4.334) 8.198 4.634 ( -8.437 3.884 -5.507) 10.798 4.767 ( 1.880 6.596 -3.817) 7.849 4.870 ( -4.295 1.044 -4.284) 6.155 5.716 ( 2.678 -3.769 1.601) 4.893 8.735 ( -0.160 1.331 -1.121) 1.747 8.757 ( -1.522 1.544 -2.944) 3.656 8.812 ( 1.167 -0.124 -0.516) 1.282 8.899 ( -1.746 2.052 0.673) 2.777 10.058 ( 6.162 -11.868 8.712) 15.960 10.235 ( 2.866 -5.094 1.645) 6.072 20.913 ( -1.688 0.509 -0.315) 1.791 21.010 ( -0.674 2.533 0.354) 2.645 21.095 ( -3.873 5.118 2.968) 7.071 21.486 ( -7.565 16.546 -16.120) 24.308 22.322 ( 1.123 -2.355 -0.854) 2.745 22.535 ( 1.774 -2.946 0.891) 3.552 ======================= Grid point 213 (64/102) ======================= q-point: ( 0.33 0.33 0.29) Boundary mean free path (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 2.84e-04 2.84e-04 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( -2.165 -4.329 4.861) 6.860 1.560 ( 2.164 4.329 4.861) 6.860 1.811 ( -0.000 0.000 2.045) 2.045 1.874 ( -1.371 -2.742 2.759) 4.124 1.874 ( 1.371 2.742 2.759) 4.124 2.104 ( -0.000 -0.000 5.518) 5.518 2.304 ( -0.000 -0.000 6.360) 6.360 2.375 ( -1.112 -2.225 -2.212) 3.329 2.375 ( 1.112 2.225 -2.212) 3.329 3.221 ( 0.000 0.000 3.958) 3.958 3.307 ( -2.672 -5.344 2.812) 6.603 3.307 ( 2.672 5.344 2.812) 6.603 3.518 ( -0.000 -0.000 -8.942) 8.942 3.837 ( -1.771 -3.542 0.108) 3.962 3.837 ( 1.771 3.542 0.108) 3.962 4.222 ( -2.181 -4.361 -1.363) 5.063 4.222 ( 2.181 4.361 -1.363) 5.063 4.287 ( -0.000 -0.000 9.010) 9.010 4.360 ( -0.000 -0.000 -10.063) 10.063 4.469 ( -1.809 -3.618 1.352) 4.265 4.469 ( 1.809 3.618 1.352) 4.265 4.986 ( -2.275 -4.551 1.880) 5.424 4.986 ( 2.275 4.551 1.880) 5.424 5.094 ( 0.000 0.000 -1.618) 1.618 8.726 ( -0.000 -0.000 -1.333) 1.333 8.934 ( -0.565 -1.130 -5.867) 6.002 8.934 ( 0.565 1.130 -5.867) 6.002 8.996 ( -0.000 0.000 1.624) 1.624 9.820 ( -1.337 -2.673 3.809) 4.842 9.820 ( 1.337 2.673 3.809) 4.842 21.107 ( -0.657 -1.313 -0.548) 1.567 21.107 ( 0.657 1.313 -0.548) 1.567 21.254 ( -0.000 -0.000 4.930) 4.930 21.994 ( -0.000 -0.000 -8.547) 8.547 22.302 ( -0.377 -0.754 -0.061) 0.845 22.302 ( 0.377 0.754 -0.061) 0.845 ======================= Grid point 219 (65/102) ======================= q-point: (-0.22 0.33 0.29) Boundary mean free path (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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( -6.594 2.948 1.336) 7.346 1.313 ( -6.450 6.515 14.810) 17.418 1.733 ( 2.529 10.825 -0.843) 11.149 1.860 ( -12.714 9.958 -1.559) 16.225 2.179 ( -2.019 -1.288 3.462) 4.210 2.259 ( 11.698 -13.430 1.581) 17.880 2.455 ( 7.939 -12.355 5.073) 15.537 2.535 ( -0.862 -4.015 3.060) 5.121 2.742 ( 5.896 -8.858 5.041) 11.775 2.958 ( -0.655 -1.019 3.662) 3.857 3.066 ( 4.428 0.678 -3.972) 5.987 3.468 ( 3.220 2.258 -0.431) 3.956 3.532 ( -3.329 1.237 0.998) 3.689 3.640 ( -2.697 -1.040 -3.345) 4.421 3.921 ( -5.244 0.689 -0.178) 5.292 3.981 ( 9.456 4.585 1.889) 10.678 4.130 ( 0.938 2.929 3.986) 5.034 4.174 ( -6.041 0.901 1.477) 6.284 4.289 ( 0.445 4.595 -0.775) 4.681 4.568 ( -9.601 -1.360 -1.846) 9.871 4.760 ( 1.796 1.506 -6.352) 6.771 4.781 ( -2.761 4.342 -2.598) 5.765 4.919 ( -0.422 -0.808 -4.103) 4.203 5.573 ( 7.027 -6.859 6.443) 11.744 8.756 ( -0.695 1.045 -1.459) 1.925 8.798 ( 0.393 1.542 -3.559) 3.899 8.802 ( -1.694 0.080 -1.369) 2.180 8.949 ( -1.952 1.202 0.207) 2.302 9.888 ( 3.612 -4.358 7.141) 9.112 10.122 ( 4.243 -4.485 0.982) 6.251 20.956 ( -1.737 1.513 -0.190) 2.311 21.047 ( -0.409 2.869 -0.219) 2.906 21.215 ( -4.358 3.613 5.488) 7.885 21.733 ( -5.855 7.895 -15.529) 18.378 22.286 ( 0.458 -1.440 -0.800) 1.710 22.467 ( 2.323 -3.170 1.038) 4.065 ======================= Grid point 220 (66/102) ======================= q-point: (-0.11 0.33 0.29) Boundary mean free path (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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( -10.888 8.922 7.789) 16.088 1.307 ( -1.031 8.343 12.300) 14.898 1.721 ( -4.296 7.944 -5.479) 10.563 1.944 ( 1.367 4.411 -1.337) 4.808 2.130 ( -0.051 2.673 5.243) 5.885 2.297 ( 9.673 -16.722 3.072) 19.561 2.377 ( 0.411 -11.927 0.786) 11.959 2.562 ( 4.013 1.773 8.945) 9.963 2.805 ( 7.192 -7.283 0.404) 10.244 2.979 ( 5.166 -1.188 1.499) 5.509 3.120 ( 0.170 -2.213 -1.861) 2.896 3.280 ( -9.777 -5.117 2.958) 11.424 3.540 ( -5.828 3.240 -2.575) 7.148 3.684 ( 2.901 0.851 -0.561) 3.075 3.883 ( 1.332 2.698 0.607) 3.069 4.023 ( -6.268 0.298 1.202) 6.389 4.145 ( 1.171 1.556 5.307) 5.654 4.273 ( 4.933 8.115 -1.782) 9.663 4.355 ( -1.652 -3.525 -4.444) 5.908 4.434 ( 1.678 6.547 2.830) 7.327 4.661 ( -7.597 -0.762 -6.226) 9.851 4.869 ( -1.014 0.510 -2.574) 2.813 4.894 ( 0.421 4.324 -3.112) 5.344 5.585 ( 3.582 -8.981 5.309) 11.030 8.756 ( -0.673 0.812 -1.186) 1.587 8.779 ( -0.275 0.393 -1.376) 1.457 8.832 ( 0.368 1.911 -4.492) 4.895 8.952 ( 0.152 2.984 0.480) 3.026 9.870 ( 0.684 -6.325 7.611) 9.919 10.122 ( 1.731 -5.775 0.969) 6.106 20.940 ( -1.464 1.943 0.374) 2.462 21.054 ( -1.582 1.988 -0.691) 2.633 21.192 ( -2.874 4.322 4.492) 6.864 21.780 ( -0.737 11.530 -14.670) 18.673 22.275 ( 0.522 -2.028 -0.902) 2.281 22.466 ( 1.514 -3.721 1.122) 4.171 ======================= Grid point 229 (67/102) ======================= q-point: (-0.33 0.44 0.29) Boundary mean free path (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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( 0.991 0.783 1.414) 1.896 1.396 ( 0.894 3.093 7.173) 7.863 1.797 ( 0.309 8.905 1.484) 9.033 2.002 ( 5.078 -0.305 4.540) 6.819 2.046 ( -1.454 -4.914 2.347) 5.636 2.115 ( -0.434 -12.941 0.897) 12.980 2.254 ( -2.482 -5.890 3.049) 7.081 2.525 ( 3.879 -11.087 6.792) 13.568 2.674 ( -5.295 5.184 4.572) 8.707 2.981 ( -1.758 1.181 3.106) 3.759 3.041 ( 1.629 4.076 -4.839) 6.533 3.353 ( 9.422 2.545 -2.182) 10.000 3.613 ( -4.287 -1.853 2.554) 5.323 3.713 ( -1.814 3.411 -3.208) 5.022 3.874 ( 5.235 5.336 -0.285) 7.481 4.011 ( -2.758 -1.078 0.668) 3.035 4.158 ( -0.621 3.147 3.354) 4.641 4.265 ( -2.602 1.985 -5.090) 6.051 4.365 ( -5.317 1.698 1.575) 5.800 4.675 ( -1.039 -1.688 -1.399) 2.426 4.722 ( 3.613 3.444 -1.786) 5.301 4.804 ( 2.238 -3.332 -2.963) 4.990 4.952 ( -6.649 1.418 -2.021) 7.093 5.362 ( 7.575 -7.761 6.532) 12.660 8.769 ( 0.441 1.221 -0.969) 1.620 8.804 ( -0.172 0.205 -3.138) 3.149 8.840 ( -1.787 0.549 -2.525) 3.142 8.990 ( -1.982 -0.012 -0.948) 2.197 9.830 ( 1.107 -0.161 4.566) 4.701 10.009 ( 3.723 -3.089 1.300) 5.009 20.997 ( -0.125 2.839 0.841) 2.964 21.078 ( -0.432 1.585 -1.281) 2.083 21.303 ( -2.588 0.799 5.933) 6.522 21.864 ( -3.176 3.653 -12.470) 13.376 22.282 ( -0.598 0.100 -0.260) 0.659 22.395 ( 1.875 -3.491 0.461) 3.989 ======================= Grid point 230 (68/102) ======================= q-point: (-0.22 0.44 0.29) Boundary mean free path (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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( -1.041 7.724 2.480) 8.178 1.438 ( -3.854 5.382 11.955) 13.665 1.859 ( -6.789 -8.870 -2.505) 11.447 1.915 ( 0.648 -5.691 1.693) 5.973 2.043 ( 9.019 -0.804 0.759) 9.086 2.070 ( -0.375 -1.057 2.158) 2.432 2.209 ( 5.498 -7.236 4.740) 10.250 2.558 ( 9.818 -6.427 5.894) 13.132 2.613 ( -3.063 0.495 7.220) 7.858 2.950 ( -0.892 2.068 -2.357) 3.260 3.110 ( -0.316 4.292 -2.380) 4.918 3.429 ( -9.750 -4.096 4.120) 11.350 3.588 ( 5.179 3.223 -1.795) 6.358 3.702 ( -2.465 4.984 -3.484) 6.562 3.930 ( -3.890 0.295 -0.941) 4.013 4.061 ( 5.588 3.202 2.696) 6.982 4.177 ( -2.141 1.701 1.371) 3.058 4.235 ( 1.889 4.260 -1.759) 4.980 4.341 ( -0.586 1.085 -2.367) 2.669 4.568 ( -7.673 0.761 3.108) 8.313 4.733 ( -1.561 -3.795 -5.640) 6.975 4.867 ( -0.793 2.169 0.314) 2.330 4.906 ( 3.178 1.913 -4.393) 5.750 5.388 ( 6.341 -10.805 6.459) 14.096 8.769 ( -0.279 0.353 -1.863) 1.917 8.810 ( -2.161 0.567 -1.525) 2.705 8.841 ( 1.063 2.150 -5.212) 5.738 8.971 ( -0.133 0.864 0.870) 1.233 9.829 ( -0.353 -1.248 5.131) 5.293 10.028 ( 2.771 -4.479 1.088) 5.378 20.999 ( -2.308 2.613 -0.022) 3.487 21.095 ( -0.578 1.831 -0.720) 2.051 21.269 ( -2.185 1.723 5.719) 6.360 21.880 ( -0.633 5.992 -12.434) 13.817 22.263 ( -0.828 -0.734 -0.608) 1.263 22.395 ( 2.186 -3.660 0.994) 4.378 ======================= Grid point 231 (69/102) ======================= q-point: (-0.11 0.44 0.29) Boundary mean free path (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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( -10.554 -0.443 4.822) 11.612 1.481 ( -0.676 6.480 9.601) 11.603 1.783 ( -1.148 -2.360 -2.831) 3.861 1.865 ( 7.983 -1.151 2.908) 8.574 2.016 ( 1.703 -6.775 2.336) 7.366 2.193 ( 1.932 -2.914 7.234) 8.034 2.259 ( 6.894 1.742 -0.542) 7.131 2.572 ( 3.929 -8.610 1.679) 9.612 2.734 ( 5.494 4.096 7.496) 10.156 2.973 ( 2.002 1.288 -0.973) 2.572 3.084 ( -8.404 -1.397 -1.362) 8.627 3.226 ( -3.615 -0.551 0.760) 3.735 3.607 ( -3.909 3.163 0.115) 5.030 3.681 ( -3.376 -0.407 -1.190) 3.603 3.920 ( 0.354 1.313 0.214) 1.377 4.100 ( -1.144 3.427 1.699) 3.993 4.143 ( -1.721 -2.525 -3.788) 4.867 4.309 ( -3.172 3.681 0.682) 4.906 4.413 ( 5.806 3.059 -2.148) 6.905 4.530 ( 2.490 3.370 2.151) 4.710 4.618 ( -6.073 -3.037 -2.431) 7.212 4.850 ( -0.862 -1.456 -3.485) 3.874 5.005 ( 1.623 6.249 -0.420) 6.470 5.373 ( 4.601 -11.244 4.964) 13.124 8.767 ( -1.294 0.308 -0.648) 1.480 8.788 ( 0.143 0.591 -1.915) 2.009 8.865 ( 0.214 1.040 -4.503) 4.626 9.004 ( 1.656 1.728 -1.047) 2.612 9.799 ( -1.433 -0.859 5.288) 5.545 10.014 ( 0.902 -4.488 1.178) 4.727 20.982 ( -2.125 1.907 0.899) 2.993 21.088 ( -1.263 1.103 -1.137) 2.026 21.267 ( -1.022 3.116 4.717) 5.745 21.937 ( 0.475 3.644 -11.631) 12.198 22.254 ( 0.285 0.364 -0.672) 0.816 22.394 ( 1.594 -3.154 1.009) 3.675 ======================= Grid point 237 (70/102) ======================= q-point: (-0.44 0.56 0.29) Boundary mean free path (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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( 5.487 5.807 4.384) 9.113 1.481 ( -3.692 2.625 1.714) 4.844 1.849 ( 8.500 -1.329 6.620) 10.855 1.895 ( -1.486 4.044 2.700) 5.084 1.969 ( -2.521 -15.586 0.900) 15.814 2.104 ( -4.701 1.251 4.986) 6.967 2.347 ( -1.664 -7.514 4.561) 8.946 2.376 ( -6.955 -2.541 0.688) 7.436 2.771 ( -2.744 -1.812 6.894) 7.638 3.005 ( -0.343 -1.490 -2.123) 2.617 3.067 ( 6.136 12.237 -1.742) 13.800 3.243 ( 3.407 0.144 -0.777) 3.498 3.644 ( -1.210 -1.769 2.049) 2.965 3.699 ( 5.784 5.004 1.023) 7.716 3.927 ( -1.289 3.038 -3.031) 4.481 4.035 ( -3.266 0.442 -1.622) 3.673 4.161 ( 2.771 1.884 -1.280) 3.586 4.364 ( -4.623 2.179 -4.167) 6.594 4.439 ( 0.398 -1.380 2.699) 3.057 4.602 ( 7.005 1.917 0.327) 7.270 4.609 ( 2.418 -4.432 0.149) 5.051 4.815 ( -2.438 -0.037 -2.891) 3.782 5.111 ( -3.833 0.565 2.232) 4.471 5.191 ( -0.990 -4.846 2.362) 5.481 8.770 ( 0.883 1.406 -0.616) 1.771 8.800 ( 0.238 -0.682 -2.593) 2.692 8.869 ( -0.773 0.137 -3.336) 3.427 9.015 ( -1.358 -1.250 -1.727) 2.528 9.812 ( 1.883 0.792 3.621) 4.157 9.958 ( -0.682 -0.330 1.808) 1.961 21.008 ( 1.948 2.436 1.200) 3.342 21.094 ( -0.025 0.736 -1.327) 1.518 21.315 ( 0.836 -1.049 4.892) 5.073 21.938 ( -2.021 1.633 -10.436) 10.754 22.284 ( 1.367 -0.392 0.106) 1.426 22.352 ( -1.491 -2.091 0.057) 2.569 ======================= Grid point 239 (71/102) ======================= q-point: (-0.33 0.56 0.29) Boundary mean free path (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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 4.147 2.881 3.506) 6.147 1.482 ( 0.215 4.443 5.250) 6.881 1.743 ( -2.244 -18.096 2.950) 18.471 1.951 ( 2.010 2.173 5.011) 5.820 2.005 ( -0.961 5.546 -0.515) 5.652 2.030 ( 2.918 1.848 7.308) 8.083 2.189 ( -8.160 -1.585 -1.512) 8.449 2.327 ( 6.609 -8.574 3.310) 11.320 2.628 ( -3.631 -9.106 9.084) 13.365 3.003 ( -0.630 3.464 -4.897) 6.031 3.227 ( -2.699 9.956 0.945) 10.359 3.421 ( 9.759 1.821 -1.964) 10.120 3.577 ( -3.605 -0.383 2.117) 4.198 3.796 ( -0.818 4.481 -0.978) 4.658 3.966 ( -0.803 -2.413 -0.171) 2.549 4.017 ( 3.195 7.403 -0.803) 8.103 4.211 ( -0.004 1.038 0.404) 1.114 4.274 ( -3.843 -1.278 -7.446) 8.476 4.407 ( -3.374 2.995 0.859) 4.593 4.612 ( 2.152 -3.590 1.914) 4.603 4.689 ( -0.183 -6.659 2.650) 7.169 4.839 ( 5.632 6.945 -2.236) 9.217 4.974 ( -8.309 0.699 -1.080) 8.408 5.181 ( 4.894 -9.482 3.496) 11.229 8.774 ( -0.244 -0.247 -2.118) 2.146 8.837 ( 1.742 2.096 -3.952) 4.801 8.853 ( -1.581 0.662 -3.132) 3.570 8.978 ( -0.930 -1.077 0.618) 1.551 9.842 ( -0.204 1.475 3.394) 3.706 9.946 ( 1.490 -2.994 1.840) 3.817 21.059 ( -0.414 3.016 0.320) 3.061 21.108 ( 0.549 1.124 -1.185) 1.723 21.301 ( -0.890 -0.713 5.439) 5.557 21.936 ( -0.754 2.958 -10.030) 10.484 22.285 ( -1.810 0.009 0.158) 1.817 22.321 ( 2.017 -3.221 0.133) 3.802 ======================= Grid point 240 (72/102) ======================= q-point: (-0.22 0.56 0.29) Boundary mean free path (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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( -6.138 -4.450 4.118) 8.627 1.530 ( -1.261 1.312 6.311) 6.568 1.624 ( 11.160 -1.055 1.486) 11.308 1.879 ( -6.456 2.902 6.887) 9.876 2.037 ( -5.993 -2.399 -0.920) 6.521 2.106 ( 4.705 -1.705 9.155) 10.434 2.166 ( 5.669 4.666 -2.497) 7.756 2.376 ( 6.235 -10.123 -2.210) 12.093 2.602 ( 9.191 -0.044 12.045) 15.151 3.014 ( -1.837 1.792 -4.950) 5.575 3.243 ( -5.850 8.382 -2.037) 10.423 3.348 ( -9.965 -4.241 3.594) 11.411 3.617 ( 2.505 -0.449 -0.222) 2.555 3.789 ( -4.869 2.960 -0.282) 5.705 3.942 ( -0.183 1.073 -0.765) 1.331 4.087 ( -1.851 -2.699 0.750) 3.358 4.181 ( -0.359 0.959 -5.242) 5.341 4.313 ( 5.647 1.827 -5.362) 7.999 4.407 ( -1.212 4.652 1.954) 5.190 4.585 ( -4.091 1.316 6.348) 7.666 4.626 ( 2.009 -4.140 -1.090) 4.730 4.858 ( -4.264 -1.409 -2.995) 5.398 5.020 ( 4.985 7.177 0.237) 8.742 5.164 ( 5.264 -10.695 3.140) 12.327 8.773 ( 0.277 0.121 -2.160) 2.181 8.823 ( -2.552 0.741 -2.490) 3.642 8.868 ( 0.280 0.345 -4.850) 4.871 8.981 ( 1.747 0.108 0.811) 1.929 9.834 ( -1.987 1.265 3.607) 4.308 9.950 ( 2.102 -2.821 1.741) 3.925 21.051 ( -2.916 2.079 0.163) 3.585 21.115 ( -0.858 -0.050 -0.947) 1.279 21.293 ( 0.244 0.880 5.164) 5.245 21.954 ( -0.230 1.013 -9.845) 9.900 22.266 ( -0.335 1.381 -0.476) 1.498 22.330 ( 2.068 -2.629 0.773) 3.433 ======================= Grid point 249 (73/102) ======================= q-point: (-0.33 -0.33 0.29) Boundary mean free path (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 2.84e-04 2.84e-04 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( -2.683 -5.365 3.657) 7.025 1.463 ( 2.683 5.365 3.657) 7.025 1.557 ( 0.000 0.000 5.929) 5.929 2.002 ( -1.864 -3.727 9.186) 10.087 2.002 ( 1.864 3.727 9.186) 10.087 2.162 ( 0.000 0.000 -0.915) 0.915 2.180 ( -2.270 -4.539 -5.524) 7.501 2.180 ( 2.270 4.539 -5.524) 7.501 2.490 ( -0.000 0.000 14.225) 14.225 3.043 ( 0.000 0.000 -4.726) 4.726 3.391 ( -1.987 -3.973 1.265) 4.619 3.391 ( 1.987 3.973 1.265) 4.619 3.578 ( 0.000 0.000 -1.520) 1.520 3.892 ( -2.048 -4.097 0.062) 4.581 3.892 ( 2.048 4.097 0.062) 4.581 4.163 ( -2.236 -4.473 -0.648) 5.042 4.163 ( 2.236 4.473 -0.648) 5.042 4.243 ( 0.000 0.000 -10.395) 10.395 4.503 ( -2.810 -5.620 0.342) 6.292 4.503 ( 2.810 5.620 0.342) 6.292 4.630 ( -0.000 0.000 10.551) 10.551 4.952 ( -0.000 0.000 -6.242) 6.242 5.008 ( -2.084 -4.168 2.093) 5.108 5.008 ( 2.084 4.168 2.093) 5.108 8.771 ( 0.000 0.000 -2.462) 2.462 8.862 ( -0.242 -0.485 -4.635) 4.667 8.862 ( 0.242 0.485 -4.635) 4.667 8.961 ( -0.000 -0.000 2.654) 2.654 9.887 ( -1.267 -2.534 2.566) 3.823 9.887 ( 1.267 2.534 2.566) 3.823 21.107 ( -0.686 -1.371 -0.567) 1.635 21.107 ( 0.686 1.371 -0.567) 1.635 21.291 ( 0.000 0.000 5.192) 5.192 21.966 ( -0.000 0.000 -8.903) 8.903 22.285 ( -0.363 -0.727 0.131) 0.823 22.285 ( 0.363 0.727 0.131) 0.823 ======================= Grid point 273 (74/102) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (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 2.84e-04 2.84e-04 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( 0.000 0.000 14.941) 14.941 1.047 ( 0.000 -0.000 14.941) 14.941 1.425 ( 0.000 0.000 -13.937) 13.937 1.425 ( 0.000 -0.000 -13.937) 13.937 1.699 ( 0.000 0.000 12.468) 12.468 2.795 ( 0.000 0.000 -2.139) 2.139 2.922 ( 0.000 0.000 0.934) 0.934 2.922 ( -0.000 -0.000 0.934) 0.934 3.067 ( 0.000 0.000 0.899) 0.899 3.067 ( 0.000 -0.000 0.899) 0.899 3.470 ( -0.000 0.000 2.782) 2.782 3.470 ( 0.000 -0.000 2.782) 2.782 3.508 ( 0.000 -0.000 5.700) 5.700 3.806 ( 0.000 -0.000 1.279) 1.279 3.865 ( 0.000 0.000 -2.010) 2.010 3.865 ( 0.000 -0.000 -2.010) 2.010 4.160 ( 0.000 0.000 -1.554) 1.554 4.290 ( 0.000 0.000 2.698) 2.698 4.290 ( 0.000 -0.000 2.698) 2.698 4.351 ( 0.000 0.000 -3.088) 3.088 4.351 ( 0.000 -0.000 -3.088) 3.088 4.453 ( 0.000 -0.000 0.432) 0.432 4.701 ( 0.000 -0.000 -3.434) 3.434 5.664 ( -0.000 0.000 -2.915) 2.915 8.696 ( 0.000 0.000 -0.228) 0.228 8.696 ( 0.000 0.000 -0.228) 0.228 8.851 ( 0.000 0.000 0.261) 0.261 8.851 ( 0.000 -0.000 0.261) 0.261 10.398 ( 0.000 0.000 2.798) 2.798 10.480 ( 0.000 0.000 -2.781) 2.781 20.895 ( 0.000 0.000 -0.137) 0.137 20.895 ( 0.000 -0.000 -0.137) 0.137 20.960 ( -0.000 0.000 0.141) 0.141 20.960 ( 0.000 -0.000 0.141) 0.141 22.371 ( 0.000 0.000 -0.260) 0.260 22.606 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 274 (75/102) ======================= q-point: ( 0.11 0.00 0.43) Boundary mean free path (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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( 11.466 -2.238 12.479) 17.095 1.179 ( 1.497 5.188 2.015) 5.763 1.393 ( 2.728 7.023 -2.048) 7.807 1.556 ( 4.880 2.267 -6.157) 8.177 1.852 ( 12.625 6.002 5.750) 15.115 2.771 ( -5.362 -0.045 -0.736) 5.413 2.820 ( -4.777 -4.331 1.138) 6.548 2.896 ( -2.179 -0.786 -1.025) 2.533 3.004 ( -4.222 -5.521 2.962) 7.555 3.077 ( -3.730 0.647 -1.111) 3.946 3.293 ( -7.749 -4.881 2.872) 9.598 3.435 ( -2.355 -6.257 3.106) 7.371 3.489 ( -3.020 3.382 -1.517) 4.781 3.807 ( -4.564 -0.371 1.669) 4.874 3.832 ( 3.191 -4.341 1.117) 5.503 4.012 ( 6.081 4.115 1.672) 7.531 4.103 ( -3.391 1.186 0.841) 3.689 4.229 ( 0.392 -2.785 2.952) 4.077 4.285 ( -4.826 2.971 2.048) 6.026 4.301 ( 3.679 1.408 -7.314) 8.307 4.464 ( 7.518 0.337 -2.457) 7.916 4.598 ( 4.852 3.918 0.618) 6.267 4.743 ( 3.868 1.960 -3.867) 5.811 5.691 ( 1.755 0.733 -2.029) 2.782 8.701 ( 0.555 0.244 -0.093) 0.613 8.711 ( 0.963 0.832 -0.692) 1.449 8.831 ( -1.405 -0.876 0.355) 1.693 8.875 ( 1.834 1.145 0.092) 2.164 10.329 ( -7.250 -4.167 2.036) 8.607 10.363 ( -6.895 -4.161 -0.298) 8.059 20.910 ( 0.669 1.751 -0.702) 2.002 20.947 ( 2.681 -2.075 0.445) 3.420 21.017 ( 7.687 3.523 0.905) 8.504 21.083 ( 8.133 7.884 -2.808) 11.670 22.348 ( -1.788 -0.961 -0.339) 2.058 22.585 ( -1.767 -1.035 0.121) 2.051 ======================= Grid point 275 (76/102) ======================= q-point: ( 0.22 0.00 0.43) Boundary mean free path (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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( -1.174 9.997 -5.352) 11.400 1.344 ( 17.752 -4.207 8.922) 20.308 1.567 ( 6.738 1.908 2.014) 7.287 1.715 ( 7.203 11.497 -1.007) 13.604 2.139 ( 11.452 2.761 4.455) 12.594 2.524 ( -15.339 -5.948 -0.025) 16.452 2.732 ( -5.025 -2.217 5.069) 7.474 2.746 ( -12.551 -5.972 1.239) 13.954 2.899 ( 1.644 -3.194 -6.442) 7.376 2.990 ( -6.528 2.271 1.699) 7.118 3.111 ( -5.919 -4.494 4.475) 8.675 3.393 ( 2.866 -4.647 -2.344) 5.942 3.442 ( -4.409 2.041 -4.198) 6.421 3.700 ( -4.128 -3.480 2.430) 5.921 3.887 ( 5.122 0.255 1.445) 5.328 4.013 ( -2.408 0.765 2.055) 3.257 4.173 ( -0.569 -4.271 1.365) 4.520 4.218 ( 3.273 6.096 5.923) 9.108 4.267 ( -0.660 4.431 0.855) 4.561 4.448 ( 8.102 1.788 -7.204) 10.988 4.590 ( 5.993 0.552 -3.738) 7.085 4.664 ( 0.874 1.266 0.259) 1.560 4.839 ( 3.394 2.197 -2.629) 4.823 5.695 ( -1.798 -1.789 0.307) 2.554 8.721 ( 1.109 0.600 -0.089) 1.264 8.741 ( 0.989 1.205 -1.303) 2.031 8.796 ( -1.128 -0.712 -0.024) 1.334 8.928 ( 2.310 1.489 0.136) 2.752 10.097 ( -9.461 -5.740 2.236) 11.290 10.221 ( -6.040 -3.715 0.628) 7.119 20.948 ( 0.467 3.176 -0.107) 3.212 20.970 ( 3.254 -2.488 -0.018) 4.096 21.223 ( 9.799 3.926 4.823) 11.606 21.337 ( 9.271 8.599 -8.441) 15.203 22.301 ( -1.991 -1.068 -0.526) 2.320 22.529 ( -2.857 -1.621 0.259) 3.295 ======================= Grid point 276 (77/102) ======================= q-point: ( 0.33 0.00 0.43) Boundary mean free path (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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( -0.151 8.440 -4.922) 9.771 1.524 ( 2.044 -3.407 8.846) 9.697 1.694 ( 9.041 1.310 -0.002) 9.135 1.945 ( 5.702 4.878 -1.407) 7.635 2.156 ( -5.137 -7.189 2.884) 9.294 2.301 ( -5.283 0.970 1.295) 5.526 2.475 ( -5.894 -5.115 1.405) 7.930 2.688 ( 0.363 -0.839 6.216) 6.283 2.818 ( -2.036 -7.899 -3.668) 8.944 2.876 ( -9.852 2.228 3.295) 10.625 3.112 ( 1.421 6.312 2.502) 6.936 3.378 ( -0.842 -1.641 1.596) 2.439 3.437 ( 2.769 1.847 -10.284) 10.809 3.624 ( -0.649 -2.418 -0.312) 2.523 3.920 ( -2.881 -4.148 4.480) 6.751 4.018 ( 1.689 5.527 -0.661) 5.817 4.136 ( 1.598 -4.027 -1.873) 4.720 4.257 ( -0.650 2.356 7.021) 7.435 4.387 ( 4.350 6.486 0.770) 7.847 4.572 ( 5.520 -2.031 -4.302) 7.287 4.657 ( -2.324 2.029 -2.186) 3.781 4.691 ( 4.373 -1.837 -3.619) 5.966 4.918 ( 3.929 3.576 0.390) 5.327 5.575 ( -7.502 -5.244 2.165) 9.406 8.741 ( 0.633 -0.369 0.370) 0.821 8.764 ( 0.275 1.721 -1.833) 2.529 8.794 ( 0.927 0.463 -1.001) 1.441 8.976 ( 1.458 1.156 0.211) 1.873 9.926 ( -4.702 -3.155 1.699) 5.912 10.084 ( -5.015 -3.301 0.515) 6.026 20.980 ( 1.449 0.018 1.718) 2.247 21.014 ( 2.159 1.063 -1.772) 2.988 21.395 ( 5.150 2.351 5.408) 7.829 21.553 ( 6.899 5.874 -8.200) 12.220 22.270 ( -0.285 -0.664 -0.605) 0.942 22.459 ( -3.205 -1.419 0.100) 3.506 ======================= Grid point 277 (78/102) ======================= q-point: ( 0.44 0.00 0.43) Boundary mean free path (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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( -5.775 -1.954 0.073) 6.097 1.460 ( -1.307 2.243 1.342) 2.922 1.863 ( 6.207 2.150 2.601) 7.065 1.977 ( -1.808 -2.940 1.316) 3.694 2.100 ( 3.209 -2.288 1.209) 4.122 2.195 ( -5.720 1.157 -0.685) 5.876 2.487 ( 2.383 7.068 4.849) 8.897 2.676 ( 1.985 -8.673 -0.994) 8.952 2.707 ( -7.848 0.617 1.934) 8.106 2.766 ( 2.600 -4.357 1.335) 5.246 3.162 ( -1.887 4.852 1.805) 5.510 3.352 ( -3.559 3.624 3.714) 6.292 3.531 ( 4.128 -1.532 -6.025) 7.463 3.668 ( 6.698 3.702 -5.827) 9.619 3.778 ( -6.531 -5.851 2.926) 9.243 4.070 ( -2.232 2.808 -1.381) 3.844 4.138 ( 2.714 -3.303 0.492) 4.303 4.295 ( 2.466 2.776 4.392) 5.752 4.510 ( 3.288 3.783 -0.196) 5.016 4.569 ( -4.031 -3.815 0.142) 5.552 4.624 ( 0.714 -0.672 -1.492) 1.785 4.722 ( 0.816 -1.219 -3.926) 4.191 5.082 ( 8.207 5.684 1.129) 10.047 5.359 ( -9.074 -5.761 1.821) 10.901 8.744 ( 0.559 -0.692 0.442) 0.994 8.780 ( -0.541 1.424 -2.049) 2.553 8.818 ( 0.774 0.554 -1.279) 1.594 9.002 ( 0.495 0.591 -0.180) 0.792 9.857 ( -1.212 -1.180 1.168) 2.056 9.994 ( -1.881 -1.606 0.835) 2.611 21.000 ( 1.178 -0.759 1.813) 2.291 21.053 ( 0.486 1.332 -1.913) 2.381 21.445 ( -0.012 -0.384 5.117) 5.131 21.696 ( 3.843 3.253 -7.236) 8.816 22.276 ( 1.162 -0.375 -0.139) 1.229 22.395 ( -2.506 -0.470 -0.209) 2.558 ======================= Grid point 278 (79/102) ======================= q-point: (-0.44 0.00 0.43) Boundary mean free path (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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( 0.936 0.430 3.849) 3.984 1.509 ( 4.457 1.403 -2.110) 5.127 1.851 ( -6.234 -3.230 3.561) 7.872 1.959 ( 1.638 0.547 2.659) 3.170 2.131 ( -4.113 4.681 -1.715) 6.463 2.181 ( 5.762 0.370 0.810) 5.830 2.528 ( -8.382 0.136 2.353) 8.707 2.618 ( 1.923 9.112 3.929) 10.108 2.698 ( 4.896 -3.763 -0.246) 6.180 2.819 ( 9.302 -7.346 -1.198) 11.913 3.174 ( -0.138 1.892 0.846) 2.077 3.303 ( -7.617 4.932 5.717) 10.725 3.566 ( 1.064 -2.524 -7.534) 8.017 3.594 ( -4.149 -5.570 2.148) 7.270 3.864 ( 7.792 5.412 -5.850) 11.146 4.017 ( -3.095 -1.337 2.581) 4.246 4.145 ( -0.104 -0.863 0.930) 1.273 4.373 ( 3.295 -0.324 -2.242) 3.999 4.430 ( -5.143 -4.011 4.900) 8.158 4.565 ( -0.766 0.761 1.228) 1.635 4.640 ( -0.775 3.968 -0.601) 4.088 4.706 ( 0.636 -3.933 -3.744) 5.467 5.093 ( -7.232 -5.089 0.108) 8.844 5.366 ( 9.206 6.443 1.110) 11.292 8.747 ( 0.529 -0.750 0.395) 0.999 8.776 ( -1.136 0.821 -1.655) 2.168 8.821 ( -0.849 -0.043 -1.663) 1.868 9.006 ( -0.366 -0.117 -0.640) 0.747 9.847 ( 0.955 0.100 2.118) 2.326 9.997 ( 2.441 0.943 0.572) 2.679 21.003 ( -0.281 -0.418 1.729) 1.800 21.052 ( -1.126 -0.267 -2.041) 2.346 21.408 ( -2.453 -2.109 6.657) 7.401 21.740 ( -0.941 -0.495 -9.319) 9.379 22.274 ( -1.449 0.296 0.097) 1.482 22.391 ( 2.029 0.756 0.191) 2.174 ======================= Grid point 279 (80/102) ======================= q-point: (-0.33 0.00 0.43) Boundary mean free path (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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( -2.388 -8.157 5.335) 10.035 1.590 ( -1.944 -1.348 6.406) 6.829 1.718 ( -8.062 3.976 -6.120) 10.875 1.912 ( -3.408 -5.211 1.222) 6.345 2.212 ( 7.568 7.442 -2.063) 10.813 2.288 ( 2.657 -1.052 2.691) 3.925 2.473 ( 0.467 11.349 2.525) 11.636 2.724 ( 3.992 -3.527 3.706) 6.489 2.761 ( 2.619 5.464 -0.206) 6.062 2.925 ( 10.371 -6.974 -0.822) 12.525 3.168 ( -4.269 -0.098 -2.230) 4.817 3.221 ( -2.148 4.335 7.261) 8.725 3.451 ( -2.285 -3.223 -2.724) 4.799 3.646 ( 4.019 2.509 -2.674) 5.440 3.963 ( 0.944 -3.639 3.509) 5.142 4.001 ( 0.055 1.966 -3.048) 3.627 4.132 ( 0.174 2.822 -0.897) 2.967 4.301 ( -3.221 -4.164 4.922) 7.207 4.406 ( 0.873 -3.156 -3.569) 4.844 4.502 ( -6.872 0.287 2.069) 7.182 4.632 ( -4.070 0.760 1.584) 4.433 4.691 ( 2.237 -2.478 -4.436) 5.552 4.939 ( -4.909 -3.588 -1.407) 6.241 5.583 ( 7.601 4.680 1.223) 9.010 8.743 ( -0.156 -0.936 0.350) 1.011 8.764 ( -0.975 0.781 -1.827) 2.213 8.795 ( -1.204 -0.403 -1.309) 1.824 8.981 ( -1.843 -1.041 -0.317) 2.140 9.912 ( 5.269 2.645 3.049) 6.638 10.086 ( 5.192 2.663 0.390) 5.849 20.979 ( -1.852 -0.733 1.660) 2.593 21.019 ( -1.575 -0.849 -1.966) 2.658 21.318 ( -4.279 -4.204 7.173) 9.351 21.640 ( -8.004 -3.850 -10.866) 14.034 22.264 ( 0.022 1.230 -0.086) 1.233 22.455 ( 3.388 1.500 0.448) 3.733 ======================= Grid point 280 (81/102) ======================= q-point: (-0.22 0.00 0.43) Boundary mean free path (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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( -1.843 -10.566 9.248) 14.162 1.454 ( -9.228 1.097 2.446) 9.610 1.551 ( -12.178 -1.849 1.718) 12.437 1.767 ( -5.633 -7.268 -8.452) 12.489 2.143 ( -12.014 -6.881 5.756) 14.994 2.527 ( 14.092 8.625 -0.142) 16.523 2.720 ( 3.723 8.750 7.371) 12.031 2.772 ( 7.680 8.056 -0.451) 11.140 2.839 ( 3.808 -1.210 -3.461) 5.286 3.027 ( 6.020 -1.867 -1.543) 6.489 3.169 ( 3.708 2.126 0.605) 4.317 3.285 ( 7.311 -0.561 3.416) 8.089 3.417 ( -1.771 2.342 0.741) 3.028 3.759 ( 4.370 3.970 -2.564) 6.437 3.897 ( -3.897 -3.297 0.530) 5.133 4.009 ( 2.128 1.210 2.786) 3.709 4.184 ( -1.149 -2.507 0.935) 2.912 4.236 ( 0.922 2.383 -0.092) 2.557 4.326 ( -10.561 -1.491 3.064) 11.097 4.372 ( -0.529 -5.695 -4.808) 7.472 4.544 ( -5.221 -1.125 0.686) 5.384 4.706 ( 0.810 -0.985 -3.871) 4.075 4.822 ( -5.305 -3.399 -0.833) 6.355 5.699 ( 2.113 0.836 -0.104) 2.275 8.724 ( -0.785 -0.872 -0.131) 1.180 8.740 ( -1.947 -0.127 -1.475) 2.446 8.801 ( 1.322 0.732 -0.425) 1.570 8.926 ( -2.647 -1.474 0.315) 3.046 10.091 ( 10.037 5.524 2.879) 11.813 10.220 ( 6.195 3.376 0.689) 7.089 20.932 ( -1.826 -1.412 1.017) 2.523 20.987 ( -1.544 -0.066 -1.156) 1.930 21.172 ( -5.778 -6.601 5.134) 10.164 21.394 ( -13.906 -5.346 -9.260) 17.542 22.298 ( 1.913 1.509 -0.287) 2.453 22.528 ( 2.989 1.601 0.281) 3.403 ======================= Grid point 281 (82/102) ======================= q-point: (-0.11 0.00 0.43) Boundary mean free path (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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( 2.535 -5.029 14.237) 15.310 1.278 ( -12.266 -4.484 3.154) 13.436 1.369 ( -3.883 2.655 -0.437) 4.724 1.589 ( -6.983 -5.214 -13.226) 15.840 1.836 ( -10.920 -7.247 9.466) 16.167 2.769 ( 2.198 3.884 -0.417) 4.482 2.817 ( 7.070 4.257 1.484) 8.385 2.884 ( 3.353 -0.390 -0.208) 3.382 3.021 ( 4.795 2.955 1.718) 5.889 3.081 ( 0.516 2.181 -1.851) 2.907 3.305 ( 10.058 2.333 2.256) 10.569 3.424 ( 3.537 -0.841 3.983) 5.393 3.450 ( 3.269 6.180 1.021) 7.065 3.818 ( -1.245 4.832 2.386) 5.531 3.871 ( 4.911 -6.101 -3.137) 8.437 4.005 ( -9.563 -4.320 2.060) 10.694 4.132 ( 1.710 2.512 -1.858) 3.562 4.170 ( -0.593 1.979 4.384) 4.846 4.303 ( 0.081 4.668 -1.450) 4.888 4.317 ( 1.109 -5.345 -2.558) 6.028 4.433 ( -4.755 -3.004 -0.205) 5.628 4.634 ( -8.137 -4.892 -1.640) 9.634 4.720 ( -1.301 -0.960 -2.607) 3.067 5.691 ( -1.593 -1.179 -2.102) 2.889 8.704 ( -0.486 -0.646 -0.213) 0.835 8.708 ( -1.240 -0.154 -0.610) 1.390 8.835 ( 1.335 0.699 -0.049) 1.508 8.871 ( -1.830 -0.966 0.465) 2.122 10.328 ( 7.372 4.274 2.092) 8.774 10.362 ( 7.069 3.904 -0.218) 8.079 20.897 ( -0.676 -0.707 0.484) 1.091 20.959 ( -1.895 -0.534 -0.671) 2.080 21.008 ( -4.070 -6.151 1.207) 7.474 21.094 ( -12.654 -3.739 -3.271) 13.595 22.348 ( 1.774 1.107 -0.298) 2.112 22.585 ( 1.768 1.001 0.100) 2.034 ======================= Grid point 283 (83/102) ======================= q-point: ( 0.11 0.11 0.43) Boundary mean free path (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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( 11.264 1.104 10.038) 15.128 1.420 ( -3.827 15.857 -2.938) 16.575 1.487 ( 5.126 3.339 6.023) 8.585 1.713 ( 6.364 9.223 -8.117) 13.837 2.042 ( 5.651 11.299 6.775) 14.335 2.691 ( -5.726 -8.733 -0.305) 10.447 2.719 ( -5.485 -12.479 0.162) 13.632 2.783 ( -0.897 -0.869 0.677) 1.420 2.919 ( -5.877 -3.855 -1.901) 7.281 3.036 ( -0.026 -6.727 -1.037) 6.807 3.178 ( -6.607 -7.770 1.710) 10.342 3.255 ( 2.256 -1.940 4.570) 5.453 3.578 ( 6.484 -3.310 2.310) 7.638 3.679 ( -9.961 -0.432 -4.008) 10.746 3.839 ( -0.797 0.569 1.694) 1.957 4.045 ( 0.943 0.919 4.421) 4.613 4.203 ( -0.373 2.292 2.185) 3.188 4.237 ( 1.388 2.904 -0.718) 3.297 4.311 ( 4.866 2.914 -0.797) 5.728 4.392 ( 1.279 3.347 -5.899) 6.902 4.420 ( 1.379 0.995 1.648) 2.368 4.739 ( -1.398 6.575 -0.631) 6.752 4.772 ( 5.755 0.906 -2.871) 6.495 5.700 ( -0.628 -0.695 0.002) 0.937 8.714 ( 0.426 0.856 -0.186) 0.974 8.738 ( 1.054 1.805 -1.650) 2.663 8.807 ( -1.061 -1.380 -0.076) 1.742 8.912 ( 1.580 2.403 0.210) 2.884 10.156 ( -5.974 -10.731 2.535) 12.541 10.257 ( -3.518 -6.149 0.947) 7.147 20.912 ( 1.403 0.867 -0.111) 1.653 20.994 ( -0.865 2.653 0.715) 2.880 21.110 ( 7.127 6.690 3.927) 10.534 21.320 ( 5.748 13.295 -8.343) 16.715 22.315 ( -1.122 -1.960 -0.581) 2.332 22.545 ( -1.580 -2.802 0.274) 3.228 ======================= Grid point 284 (84/102) ======================= q-point: ( 0.22 0.11 0.43) Boundary mean free path (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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( 16.286 1.605 5.362) 17.221 1.491 ( -4.728 14.446 -2.486) 15.402 1.608 ( 4.117 3.719 3.211) 6.410 1.943 ( 5.632 9.533 -1.848) 11.225 2.124 ( -1.568 -4.529 4.224) 6.389 2.419 ( -8.905 -9.042 -2.166) 12.874 2.466 ( -8.167 -12.932 -1.966) 15.420 2.701 ( -3.331 -3.728 5.451) 7.396 2.830 ( -3.078 -3.949 4.371) 6.646 2.963 ( -4.145 -4.473 0.243) 6.103 3.124 ( 5.476 5.531 -4.386) 8.933 3.310 ( 3.474 -0.532 2.447) 4.282 3.559 ( -6.899 6.795 -7.484) 12.238 3.594 ( 1.178 -4.892 2.817) 5.766 3.860 ( 3.422 -2.045 2.527) 4.720 4.077 ( -1.956 3.637 3.977) 5.733 4.132 ( -3.090 -0.178 -0.201) 3.102 4.326 ( -3.820 2.569 1.497) 4.840 4.383 ( 5.715 5.545 1.220) 8.056 4.413 ( 5.878 -3.134 -2.681) 7.180 4.579 ( 7.322 1.891 -2.556) 7.983 4.742 ( -3.566 3.377 -1.956) 5.287 4.867 ( 4.266 0.434 -0.622) 4.333 5.625 ( -4.726 -5.398 2.090) 7.473 8.730 ( 0.455 0.114 -0.103) 0.481 8.775 ( 0.702 1.996 -2.276) 3.108 8.787 ( 0.143 -0.016 -1.037) 1.047 8.964 ( 1.577 1.903 0.175) 2.478 9.968 ( -4.821 -6.081 2.827) 8.260 10.125 ( -4.385 -5.326 0.815) 6.947 20.954 ( 1.746 1.104 0.316) 2.090 21.016 ( 0.362 2.977 0.149) 3.003 21.308 ( 7.620 4.056 6.268) 10.667 21.528 ( 4.685 9.133 -10.076) 14.384 22.278 ( -1.255 -0.809 -1.009) 1.802 22.481 ( -2.063 -3.104 0.360) 3.745 ======================= Grid point 285 (85/102) ======================= q-point: ( 0.33 0.11 0.43) Boundary mean free path (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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( -6.973 5.613 -0.835) 8.990 1.572 ( -3.495 6.110 3.131) 7.704 1.722 ( 10.180 1.186 -0.514) 10.261 1.931 ( -1.138 -4.341 5.365) 6.995 2.088 ( -3.248 -0.816 -1.766) 3.786 2.251 ( -1.927 -7.956 -2.480) 8.553 2.348 ( 7.308 -3.580 -0.824) 8.179 2.597 ( -2.477 -7.473 2.395) 8.228 2.740 ( -1.772 -2.586 7.789) 8.396 2.862 ( -5.367 1.778 3.202) 6.498 3.301 ( -2.170 9.759 -0.374) 10.005 3.322 ( 3.959 -2.963 -6.751) 8.368 3.538 ( -2.523 1.217 -0.991) 2.971 3.628 ( 4.157 7.782 -3.289) 9.415 3.846 ( -3.816 -2.746 4.573) 6.559 4.038 ( 1.555 -3.907 1.947) 4.634 4.140 ( -1.655 4.102 -4.563) 6.355 4.307 ( -0.731 1.917 6.358) 6.681 4.479 ( 4.359 -0.518 -1.795) 4.742 4.526 ( 5.382 -0.030 0.988) 5.472 4.647 ( -2.115 1.677 -2.056) 3.393 4.701 ( -1.520 -0.709 -2.188) 2.757 4.980 ( 8.019 2.458 1.171) 8.468 5.436 ( -8.001 -8.303 1.907) 11.687 8.730 ( 0.217 -0.584 0.310) 0.696 8.801 ( -0.037 1.420 -3.252) 3.549 8.807 ( 1.177 0.989 -1.461) 2.121 8.999 ( 0.699 0.971 0.061) 1.198 9.871 ( -1.851 -1.843 2.063) 3.329 10.011 ( -2.970 -3.700 1.281) 4.914 20.988 ( 0.643 1.724 1.264) 2.233 21.061 ( 1.000 2.391 -1.014) 2.783 21.418 ( 2.554 -0.259 5.146) 5.751 21.679 ( 3.630 6.032 -7.532) 10.310 22.261 ( -0.057 0.008 -0.932) 0.933 22.417 ( -1.727 -2.742 0.032) 3.241 ======================= Grid point 286 (86/102) ======================= q-point: ( 0.44 0.11 0.43) Boundary mean free path (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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( -7.270 6.927 0.234) 10.045 1.530 ( -3.232 4.206 -0.944) 5.388 1.887 ( 2.075 -1.278 3.079) 3.927 1.943 ( 0.592 0.420 4.360) 4.420 2.017 ( 6.214 -5.030 -0.458) 8.008 2.190 ( -1.026 -1.609 -2.290) 2.981 2.461 ( 6.748 -8.510 -1.603) 10.979 2.508 ( 4.417 -5.462 -0.708) 7.060 2.722 ( 1.927 -3.495 9.029) 9.872 2.822 ( -6.586 12.148 3.565) 14.271 3.225 ( -5.828 1.022 -1.577) 6.123 3.403 ( 0.764 0.580 -5.646) 5.727 3.528 ( 1.391 0.886 0.532) 1.733 3.697 ( -9.691 -0.906 2.139) 9.965 3.827 ( 5.583 10.766 -4.442) 12.916 4.047 ( 2.058 -4.684 -1.222) 5.260 4.112 ( -2.784 0.161 2.955) 4.063 4.335 ( 1.629 0.987 0.817) 2.072 4.492 ( -4.758 -3.444 4.305) 7.282 4.552 ( 3.497 0.910 -0.726) 3.686 4.650 ( -0.711 -4.199 -3.223) 5.341 4.681 ( 0.908 4.499 0.944) 4.686 5.137 ( -0.518 -2.331 1.357) 2.746 5.257 ( 3.845 -2.206 -0.135) 4.435 8.730 ( 0.471 -0.651 0.401) 0.898 8.803 ( -0.933 0.779 -2.820) 3.071 8.829 ( 0.159 0.469 -2.173) 2.229 9.010 ( -0.058 0.231 -0.430) 0.491 9.846 ( -0.539 0.073 2.160) 2.228 9.964 ( 0.979 -1.293 1.510) 2.216 21.012 ( -0.168 1.902 1.621) 2.505 21.080 ( -1.088 1.062 -1.764) 2.329 21.416 ( -0.593 -2.127 5.691) 6.105 21.756 ( -0.160 2.306 -7.821) 8.155 22.281 ( 1.396 1.017 0.203) 1.739 22.369 ( -0.478 -2.177 -0.593) 2.306 ======================= Grid point 288 (87/102) ======================= q-point: (-0.44 0.11 0.43) Boundary mean free path (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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( -8.634 2.576 1.782) 9.185 1.618 ( 1.978 9.035 2.374) 9.549 1.807 ( -1.889 -0.182 -0.991) 2.141 1.939 ( -1.522 -4.281 3.272) 5.599 2.134 ( 3.337 -1.593 0.904) 3.807 2.189 ( 7.548 -2.422 -3.074) 8.502 2.453 ( 4.850 -4.841 -2.627) 7.339 2.618 ( 8.968 -3.672 2.174) 9.932 2.718 ( 2.003 -1.094 9.157) 9.438 2.858 ( -4.223 10.937 0.524) 11.736 3.157 ( -0.714 -2.679 -2.172) 3.522 3.392 ( -4.744 2.681 3.560) 6.509 3.486 ( -6.034 -1.611 -6.537) 9.041 3.620 ( 1.350 4.054 -0.426) 4.294 3.953 ( -4.273 -4.454 1.375) 6.323 4.009 ( 3.350 8.719 -3.908) 10.125 4.124 ( 3.591 -1.983 3.827) 5.610 4.341 ( -3.972 -0.375 -0.189) 3.994 4.384 ( -1.658 -2.063 1.690) 3.140 4.578 ( 0.312 -7.426 -0.797) 7.475 4.597 ( -1.801 1.976 1.824) 3.236 4.739 ( -0.596 5.400 -0.135) 5.434 4.972 ( -5.318 -6.866 -1.887) 8.887 5.458 ( 10.969 2.559 1.508) 11.364 8.732 ( 0.446 -0.578 0.198) 0.757 8.789 ( -1.172 0.474 -2.156) 2.500 8.818 ( -1.431 -0.170 -2.404) 2.803 9.001 ( -1.096 -0.299 -0.568) 1.270 9.861 ( 2.280 0.978 3.126) 3.991 10.014 ( 4.621 0.652 1.045) 4.782 21.010 ( -2.186 0.616 1.026) 2.492 21.052 ( -1.873 0.219 -1.136) 2.201 21.364 ( -3.465 -1.499 7.134) 8.071 21.718 ( -4.514 -1.537 -10.090) 11.160 22.288 ( -1.295 0.511 -0.324) 1.430 22.394 ( 4.198 -0.001 0.198) 4.203 ======================= Grid point 289 (88/102) ======================= q-point: (-0.33 0.11 0.43) Boundary mean free path (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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( -10.242 2.670 4.473) 11.490 1.577 ( -6.407 0.337 8.988) 11.043 1.744 ( -9.577 -10.990 -0.978) 14.610 1.851 ( -8.139 7.355 -8.087) 13.629 2.192 ( 2.889 -5.557 4.626) 7.786 2.358 ( 14.002 5.304 -1.655) 15.064 2.570 ( 12.056 -4.810 -2.420) 13.204 2.715 ( 4.589 1.671 7.006) 8.540 2.821 ( 9.146 -1.018 4.058) 10.058 2.885 ( -2.152 8.129 -4.610) 9.589 3.133 ( 1.140 -3.350 -2.391) 4.271 3.272 ( -5.593 1.140 4.595) 7.327 3.482 ( 0.388 5.520 1.208) 5.664 3.684 ( 2.834 -1.050 -5.042) 5.879 3.866 ( -0.426 -4.208 1.445) 4.469 4.081 ( -3.135 3.855 0.972) 5.063 4.190 ( 4.555 -0.165 1.446) 4.782 4.247 ( -4.120 1.686 3.453) 5.633 4.357 ( -1.775 -0.127 -5.350) 5.638 4.495 ( -2.071 -5.840 2.100) 6.543 4.519 ( -6.754 -1.529 0.290) 6.931 4.769 ( -2.012 5.013 -1.551) 5.620 4.851 ( -2.610 -4.701 -1.814) 5.674 5.634 ( 6.628 0.677 1.697) 6.875 8.730 ( -0.397 -0.365 -0.154) 0.561 8.777 ( -1.653 0.333 -2.895) 3.350 8.788 ( -0.284 -0.269 -0.543) 0.669 8.964 ( -2.531 -0.475 -0.048) 2.576 9.961 ( 7.765 1.707 3.439) 8.662 10.126 ( 6.712 1.078 0.807) 6.846 20.954 ( -2.865 -0.993 -0.125) 3.035 21.030 ( -1.651 0.543 0.527) 1.816 21.257 ( -7.482 -0.588 6.547) 9.960 21.566 ( -9.961 -3.071 -10.821) 15.025 22.284 ( 0.685 0.389 -0.704) 1.057 22.475 ( 4.189 0.641 0.416) 4.258 ======================= Grid point 294 (89/102) ======================= q-point: ( 0.22 0.22 0.43) Boundary mean free path (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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( 13.103 5.238 1.366) 14.177 1.697 ( 1.681 7.244 5.237) 9.095 1.759 ( -7.106 8.677 0.322) 11.220 1.949 ( -0.723 -14.182 -0.517) 14.210 2.057 ( -1.802 -3.864 -2.314) 4.851 2.147 ( -3.113 -1.662 -2.228) 4.174 2.365 ( -6.140 -3.231 -0.851) 6.990 2.576 ( -4.841 -8.341 2.443) 9.949 2.716 ( -2.200 -5.667 10.493) 12.127 2.979 ( -0.432 5.516 -1.339) 5.692 3.167 ( 7.843 -0.253 -4.856) 9.228 3.408 ( 1.550 6.169 3.598) 7.308 3.514 ( 2.862 -2.325 -2.648) 4.539 3.673 ( 1.201 2.777 -3.307) 4.483 3.861 ( -1.077 4.343 1.247) 4.645 4.062 ( -5.875 -3.015 3.871) 7.655 4.172 ( 4.063 -0.643 -1.874) 4.520 4.330 ( -0.138 0.283 -4.226) 4.237 4.373 ( 2.387 1.250 1.985) 3.347 4.476 ( 0.911 2.267 4.737) 5.330 4.639 ( 2.745 1.202 0.940) 3.140 4.814 ( -4.829 5.191 -4.193) 8.237 4.861 ( 5.554 -0.361 1.198) 5.693 5.473 ( -6.348 -9.401 1.905) 11.502 8.726 ( -0.269 -0.364 -0.011) 0.453 8.797 ( 0.905 0.843 -2.062) 2.405 8.813 ( 0.507 1.613 -3.157) 3.582 8.997 ( 0.698 1.222 -0.008) 1.407 9.876 ( -1.180 -2.690 3.057) 4.240 10.020 ( -2.868 -4.731 1.310) 5.685 21.006 ( 0.947 3.636 -0.281) 3.767 21.060 ( 1.191 1.277 0.680) 1.874 21.368 ( 3.121 1.626 6.199) 7.128 21.688 ( 2.545 6.572 -9.179) 11.572 22.278 ( -0.926 0.851 -1.180) 1.724 22.405 ( -1.323 -4.236 0.439) 4.459 ======================= Grid point 295 (90/102) ======================= q-point: ( 0.33 0.22 0.43) Boundary mean free path (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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( -5.465 3.511 -0.410) 6.509 1.656 ( -5.363 2.649 0.005) 5.982 1.727 ( 4.747 0.910 -2.022) 5.239 1.881 ( 2.763 -0.290 7.466) 7.966 2.016 ( 0.244 -6.135 -0.110) 6.141 2.152 ( 1.485 1.306 -3.713) 4.207 2.308 ( 0.804 -2.106 -1.514) 2.716 2.425 ( -0.950 -8.409 -0.528) 8.479 2.625 ( 0.396 -6.665 11.131) 12.980 3.041 ( -3.180 13.210 1.370) 13.656 3.293 ( 3.958 0.382 -8.114) 9.036 3.420 ( -4.372 0.608 1.362) 4.620 3.486 ( 1.036 -4.593 1.336) 4.894 3.775 ( 2.266 2.939 0.924) 3.824 3.917 ( 1.001 6.651 -1.101) 6.816 3.954 ( -2.555 0.832 0.686) 2.773 4.206 ( -3.390 1.753 -4.179) 5.660 4.292 ( 1.882 -3.679 -0.330) 4.145 4.466 ( 5.135 0.409 1.628) 5.402 4.497 ( 0.146 -1.313 5.971) 6.116 4.617 ( -1.424 -5.737 2.101) 6.273 4.798 ( -4.671 10.009 -3.025) 11.452 5.018 ( 10.774 1.195 1.195) 10.906 5.244 ( -7.380 -10.474 -0.106) 12.814 8.719 ( 0.079 -0.472 0.159) 0.505 8.819 ( 0.228 0.766 -3.199) 3.297 8.830 ( 0.171 0.740 -3.162) 3.252 9.012 ( 0.159 0.315 0.050) 0.356 9.858 ( -0.185 0.529 2.509) 2.570 9.941 ( -1.075 -3.057 2.039) 3.829 21.047 ( -0.410 3.510 0.536) 3.574 21.096 ( 0.842 0.956 -0.579) 1.399 21.390 ( 0.533 -2.065 4.829) 5.279 21.784 ( 1.173 4.135 -6.717) 7.974 22.273 ( -0.051 1.122 -0.655) 1.300 22.351 ( -0.508 -3.493 -0.102) 3.531 ======================= Grid point 296 (91/102) ======================= q-point: (-0.56 0.22 0.43) Boundary mean free path (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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( -7.263 5.742 -0.276) 9.263 1.686 ( 3.441 9.463 -1.156) 10.136 1.831 ( -1.779 -3.545 2.693) 4.794 1.892 ( 2.715 -8.226 -1.353) 8.767 1.924 ( 1.991 -0.626 3.954) 4.471 2.192 ( -1.052 0.889 -1.391) 1.957 2.326 ( 3.480 -4.077 -1.863) 5.675 2.409 ( 8.124 -3.116 -1.664) 8.859 2.629 ( 5.522 -3.716 11.054) 12.903 3.091 ( -7.309 10.727 -0.780) 13.003 3.215 ( -8.088 -1.644 0.469) 8.267 3.391 ( 3.155 0.862 -3.874) 5.070 3.525 ( 3.075 -2.164 0.107) 3.762 3.731 ( -7.243 3.045 0.696) 7.887 3.952 ( 3.242 -3.899 0.368) 5.084 4.058 ( -2.259 4.345 -2.061) 5.314 4.086 ( -2.464 3.336 0.050) 4.147 4.335 ( 3.566 -1.985 -4.256) 5.897 4.430 ( -4.039 -1.511 3.710) 5.689 4.528 ( -1.432 -4.506 5.564) 7.302 4.584 ( 5.030 1.511 1.643) 5.504 4.831 ( -3.178 8.614 -0.674) 9.206 4.998 ( -6.968 -9.161 -1.351) 11.588 5.257 ( 13.020 0.152 0.474) 13.029 8.719 ( 0.415 -0.334 0.137) 0.550 8.814 ( -1.123 0.428 -3.013) 3.244 8.834 ( -0.396 -0.008 -3.286) 3.310 9.012 ( -0.347 0.012 -0.107) 0.363 9.855 ( -0.613 0.605 2.821) 2.949 9.943 ( 3.294 -0.696 1.888) 3.860 21.064 ( -1.609 2.559 0.675) 3.097 21.083 ( -2.077 -0.908 -0.877) 2.431 21.381 ( 0.366 -0.861 5.457) 5.537 21.787 ( -3.663 0.782 -7.424) 8.315 22.306 ( -0.728 -0.769 -0.420) 1.139 22.321 ( 3.347 -0.106 -0.124) 3.351 ======================= Grid point 300 (92/102) ======================= q-point: (-0.11 0.22 0.43) Boundary mean free path (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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( -2.167 4.865 2.556) 5.907 1.377 ( -12.642 3.212 -3.597) 13.530 1.441 ( -2.456 12.620 10.540) 16.625 1.689 ( 0.452 10.051 -4.284) 10.936 2.077 ( -8.402 11.730 3.922) 14.953 2.626 ( 6.910 -8.902 3.692) 11.859 2.716 ( 4.736 -14.674 0.157) 15.420 2.766 ( 3.363 -4.127 3.148) 6.185 2.926 ( 1.832 -8.307 -2.001) 8.739 3.018 ( 4.478 -0.137 1.000) 4.591 3.185 ( 6.545 -6.828 0.541) 9.474 3.351 ( -2.261 0.624 -3.673) 4.358 3.539 ( -4.850 -2.662 3.827) 6.727 3.672 ( 6.072 -3.079 -1.079) 6.893 3.869 ( 0.580 -1.568 -0.816) 1.860 4.073 ( 0.971 3.416 0.587) 3.599 4.146 ( -1.870 2.234 4.743) 5.566 4.208 ( -0.478 1.842 4.486) 4.873 4.327 ( 6.322 6.687 1.753) 9.368 4.340 ( -8.730 -0.028 -4.127) 9.656 4.497 ( -5.269 1.109 -6.225) 8.230 4.740 ( 1.236 7.611 0.317) 7.717 4.778 ( -4.936 0.898 -4.066) 6.458 5.710 ( 0.212 -0.346 -1.025) 1.102 8.716 ( -0.182 1.040 -0.518) 1.177 8.726 ( -0.954 1.047 -0.355) 1.460 8.808 ( 1.034 -1.375 -0.134) 1.726 8.910 ( -1.489 2.352 0.377) 2.809 10.160 ( 5.787 -10.409 2.068) 12.088 10.260 ( 3.405 -5.985 0.616) 6.913 20.910 ( -0.757 1.166 0.003) 1.390 21.008 ( -1.823 1.361 -0.476) 2.324 21.168 ( -5.699 8.249 3.162) 10.513 21.251 ( -5.103 12.828 -6.525) 15.270 22.311 ( 1.146 -2.286 -0.204) 2.565 22.546 ( 1.608 -2.717 0.205) 3.164 ======================= Grid point 304 (93/102) ======================= q-point: ( 0.33 0.33 0.43) Boundary mean free path (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 2.84e-04 2.84e-04 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( -1.979 -3.957 -0.316) 4.436 1.617 ( 1.979 3.957 -0.316) 4.436 1.788 ( -0.000 -0.000 -3.517) 3.517 1.931 ( -0.989 -1.978 3.817) 4.411 1.931 ( 0.989 1.978 3.817) 4.411 2.141 ( 0.000 -0.000 -0.045) 0.045 2.315 ( -1.200 -2.399 -3.950) 4.775 2.315 ( 1.200 2.399 -3.950) 4.775 2.535 ( -0.000 -0.000 12.881) 12.881 3.256 ( 0.000 -0.000 -10.912) 10.912 3.363 ( -2.284 -4.569 2.370) 5.632 3.363 ( 2.285 4.570 2.370) 5.633 3.363 ( -0.000 -0.001 4.338) 4.338 3.850 ( -1.957 -3.914 1.137) 4.521 3.850 ( 1.957 3.914 1.137) 4.521 4.163 ( 0.000 -0.000 -7.073) 7.073 4.192 ( -2.498 -4.996 -1.480) 5.779 4.192 ( 2.498 4.996 -1.480) 5.779 4.492 ( -1.477 -2.954 0.813) 3.401 4.492 ( 1.477 2.954 0.813) 3.401 4.521 ( -0.000 0.000 11.916) 11.916 5.019 ( -0.000 -0.000 -5.764) 5.764 5.024 ( -2.194 -4.387 1.541) 5.142 5.024 ( 2.194 4.388 1.541) 5.142 8.714 ( -0.000 -0.000 0.117) 0.117 8.832 ( -0.207 -0.413 -3.543) 3.573 8.832 ( 0.207 0.413 -3.543) 3.573 9.015 ( -0.000 -0.000 0.169) 0.169 9.888 ( -0.987 -1.975 2.498) 3.334 9.888 ( 0.987 1.975 2.498) 3.334 21.098 ( -0.324 -0.648 -0.248) 0.766 21.098 ( 0.324 0.648 -0.248) 0.766 21.362 ( -0.000 -0.000 4.812) 4.812 21.831 ( -0.000 -0.000 -6.249) 6.249 22.298 ( -0.463 -0.926 -0.301) 1.078 22.298 ( 0.463 0.926 -0.301) 1.078 ======================= Grid point 310 (94/102) ======================= q-point: (-0.22 0.33 0.43) Boundary mean free path (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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( -2.297 5.309 -3.149) 6.586 1.588 ( -5.335 5.343 11.892) 14.087 1.693 ( -5.003 7.358 -2.739) 9.310 1.821 ( -7.106 9.653 -2.676) 12.282 2.240 ( -2.039 -4.985 0.500) 5.409 2.302 ( 12.126 -9.726 3.297) 15.890 2.510 ( 4.598 -13.429 2.682) 14.446 2.700 ( 0.382 3.522 10.145) 10.746 2.798 ( 2.936 -9.567 -0.255) 10.011 2.938 ( 3.605 -0.621 -5.484) 6.592 3.065 ( 1.331 -1.753 3.678) 4.287 3.418 ( -2.478 3.765 -7.668) 8.895 3.486 ( 7.578 2.157 0.291) 7.885 3.628 ( -2.462 -3.265 0.848) 4.177 3.903 ( -4.876 -0.585 -1.687) 5.192 4.040 ( 6.889 4.135 3.407) 8.727 4.207 ( -0.703 -1.224 1.079) 1.777 4.228 ( -1.381 0.750 5.815) 6.023 4.286 ( -1.245 3.649 -0.326) 3.869 4.542 ( -7.898 3.684 -0.981) 8.770 4.589 ( -3.924 0.890 -7.448) 8.466 4.770 ( 2.381 5.187 -0.980) 5.791 4.848 ( -3.071 -0.837 -1.893) 3.703 5.643 ( 4.672 -5.223 1.036) 7.084 8.734 ( -0.899 0.471 -0.602) 1.180 8.751 ( -0.422 0.824 -0.501) 1.052 8.788 ( -0.107 -0.061 -0.447) 0.463 8.959 ( -1.450 1.661 0.472) 2.255 9.978 ( 4.844 -5.574 1.793) 7.600 10.133 ( 4.337 -4.866 0.098) 6.519 20.953 ( -2.364 1.567 -0.031) 2.837 21.040 ( 0.208 2.465 -0.452) 2.515 21.339 ( -5.504 4.458 5.108) 8.733 21.472 ( -6.446 8.867 -8.254) 13.722 22.277 ( 0.430 -0.994 -0.063) 1.084 22.478 ( 2.526 -3.217 0.161) 4.093 ======================= Grid point 311 (95/102) ======================= q-point: (-0.11 0.33 0.43) Boundary mean free path (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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( -4.656 8.452 5.778) 11.247 1.471 ( -3.317 7.651 1.440) 8.462 1.639 ( -4.739 5.794 -0.898) 7.538 1.914 ( -2.234 9.172 -0.593) 9.458 2.191 ( 3.163 -3.137 -0.458) 4.479 2.361 ( 9.383 -16.090 3.140) 18.888 2.416 ( 1.621 -10.089 2.877) 10.616 2.743 ( 0.422 0.653 6.384) 6.432 2.798 ( 2.588 -3.821 0.176) 4.618 2.990 ( 4.940 -1.972 -0.973) 5.408 3.086 ( 3.203 -1.830 -0.756) 3.766 3.343 ( -8.902 -3.513 1.755) 9.729 3.474 ( -5.459 1.544 -1.415) 5.847 3.655 ( 4.408 -1.389 -2.550) 5.278 3.899 ( 3.519 3.862 -0.298) 5.233 4.063 ( -6.206 -1.053 2.781) 6.881 4.185 ( -0.798 -4.753 -3.145) 5.755 4.267 ( 2.439 6.973 2.788) 7.896 4.343 ( 2.548 2.082 3.579) 4.862 4.478 ( -3.559 5.307 -1.908) 6.669 4.545 ( -1.486 3.574 -1.949) 4.334 4.776 ( -3.863 -0.788 -4.645) 6.092 4.869 ( 1.746 5.423 -0.532) 5.721 5.640 ( 2.280 -6.968 0.642) 7.360 8.738 ( 0.399 0.898 -0.815) 1.276 8.750 ( -0.709 1.131 -0.284) 1.365 8.788 ( 0.204 -0.205 -0.768) 0.821 8.962 ( -0.618 2.443 0.380) 2.549 9.971 ( 1.944 -7.384 2.414) 8.008 10.133 ( 2.026 -6.140 0.074) 6.466 20.950 ( -0.285 2.471 0.506) 2.539 21.033 ( -2.592 1.324 -1.215) 3.154 21.308 ( -3.774 5.428 6.453) 9.238 21.523 ( -0.849 12.408 -9.877) 15.882 22.267 ( 0.331 -1.837 0.082) 1.868 22.481 ( 1.503 -3.516 0.359) 3.841 ======================= Grid point 320 (96/102) ======================= q-point: (-0.33 0.44 0.43) Boundary mean free path (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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( -2.589 4.574 -1.750) 5.540 1.556 ( 12.035 1.542 6.836) 13.926 1.814 ( -5.293 4.902 -0.324) 7.221 2.002 ( -4.306 0.014 -2.659) 5.061 2.106 ( 0.908 -0.830 3.163) 3.394 2.149 ( 2.429 -12.324 1.417) 12.641 2.357 ( -1.379 -6.847 5.980) 9.194 2.621 ( 3.493 -12.851 2.044) 13.473 2.793 ( -0.483 8.774 5.298) 10.261 2.909 ( 0.138 1.756 -7.163) 7.376 3.073 ( -1.500 0.962 5.014) 5.321 3.350 ( 6.506 -0.383 2.464) 6.968 3.550 ( -4.107 5.945 -7.913) 10.716 3.646 ( -1.137 2.089 -1.740) 2.947 3.927 ( 8.205 2.301 3.865) 9.357 3.993 ( -3.767 -1.160 -2.007) 4.423 4.189 ( 0.515 -0.065 -2.417) 2.472 4.248 ( -1.233 0.635 5.223) 5.404 4.406 ( -7.004 0.967 1.548) 7.238 4.638 ( 0.146 2.368 -4.884) 5.429 4.641 ( 0.361 0.293 -2.724) 2.764 4.755 ( 3.170 1.565 -1.662) 3.906 4.942 ( -9.270 1.127 0.808) 9.373 5.452 ( 8.299 -8.468 2.270) 12.072 8.750 ( -0.833 -0.738 -1.634) 1.977 8.760 ( 0.088 1.135 0.236) 1.163 8.806 ( -1.045 0.472 -0.749) 1.369 8.990 ( -0.838 0.671 0.486) 1.178 9.885 ( 2.110 -1.258 0.790) 2.581 10.024 ( 3.131 -3.064 0.138) 4.383 21.014 ( -1.860 2.293 0.726) 3.041 21.051 ( 0.944 1.816 -1.098) 2.323 21.429 ( -2.050 0.092 4.522) 4.966 21.644 ( -4.737 5.625 -6.763) 9.991 22.282 ( -0.826 0.875 0.184) 1.217 22.398 ( 2.363 -3.785 -0.093) 4.463 ======================= Grid point 321 (97/102) ======================= q-point: (-0.22 0.44 0.43) Boundary mean free path (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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( 2.293 11.049 1.321) 11.361 1.651 ( -6.073 0.457 8.101) 10.135 1.802 ( -9.693 -1.325 -2.940) 10.215 1.939 ( 10.993 1.512 0.424) 11.105 2.041 ( 2.592 -11.063 -0.266) 11.366 2.106 ( -1.164 -2.083 1.842) 3.014 2.314 ( 2.937 -6.013 4.232) 7.918 2.595 ( 6.264 -10.665 0.469) 12.377 2.857 ( -1.585 7.387 11.684) 13.914 2.878 ( 2.339 -3.824 -5.013) 6.725 3.078 ( -1.899 3.673 0.228) 4.141 3.477 ( -6.468 -0.716 -0.605) 6.535 3.527 ( 4.960 2.429 -3.404) 6.488 3.640 ( -2.622 5.577 -0.983) 6.240 3.906 ( -2.319 0.758 -2.050) 3.187 4.115 ( 3.232 1.267 1.892) 3.954 4.144 ( -0.160 -4.269 -2.607) 5.004 4.240 ( 1.023 1.337 2.781) 3.251 4.362 ( -0.642 4.706 2.687) 5.457 4.604 ( -3.388 0.698 -6.719) 7.557 4.639 ( -5.115 3.746 2.646) 6.870 4.795 ( -1.473 -2.772 -3.631) 4.800 4.881 ( 2.495 5.479 -0.527) 6.043 5.474 ( 5.741 -11.092 1.971) 12.645 8.737 ( 0.026 -0.074 -1.123) 1.126 8.773 ( -0.320 1.161 -0.693) 1.390 8.794 ( -0.637 0.552 -0.398) 0.932 8.989 ( -0.349 1.184 0.768) 1.454 9.895 ( 0.965 -2.394 1.213) 2.852 10.037 ( 2.573 -4.368 -0.254) 5.076 21.001 ( -2.176 2.806 0.186) 3.556 21.077 ( -0.676 1.421 -0.958) 1.842 21.394 ( -2.045 1.100 5.331) 5.815 21.657 ( -2.088 8.387 -7.790) 11.636 22.261 ( -1.218 -0.576 0.405) 1.407 22.407 ( 2.706 -3.511 0.248) 4.439 ======================= Grid point 322 (98/102) ======================= q-point: (-0.11 0.44 0.43) Boundary mean free path (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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( -10.486 -2.478 4.988) 11.873 1.622 ( -3.790 -3.380 2.523) 5.671 1.707 ( 4.414 10.487 -2.362) 11.621 1.949 ( 1.546 -2.233 3.442) 4.385 2.057 ( 1.543 -5.204 1.687) 5.684 2.228 ( 7.853 -2.513 -0.893) 8.294 2.313 ( 4.933 2.655 3.284) 6.494 2.603 ( 6.078 -9.594 1.278) 11.429 2.824 ( -6.930 1.441 -0.629) 7.106 2.955 ( 5.422 -1.470 -3.388) 6.560 3.116 ( 2.811 2.107 8.307) 9.019 3.272 ( -10.344 -1.810 3.106) 10.951 3.569 ( -2.871 5.569 -3.323) 7.092 3.637 ( -3.121 1.199 -2.351) 4.088 3.935 ( 1.666 -1.601 -1.696) 2.866 4.031 ( -2.431 -4.968 -1.414) 5.709 4.122 ( -0.987 2.426 -0.841) 2.751 4.377 ( 6.145 0.199 -0.331) 6.157 4.400 ( -2.183 6.256 4.852) 8.212 4.547 ( -3.162 2.504 -2.170) 4.580 4.598 ( -0.384 0.620 2.257) 2.372 4.753 ( -1.502 -1.241 -5.279) 5.627 4.998 ( 1.840 7.948 -0.521) 8.175 5.439 ( 3.881 -12.025 1.541) 12.729 8.748 ( 0.989 0.253 -1.433) 1.760 8.765 ( -1.091 0.400 0.429) 1.238 8.803 ( 0.321 1.229 -1.325) 1.836 8.999 ( -0.028 1.030 0.090) 1.035 9.873 ( -0.341 -2.381 1.846) 3.032 10.026 ( 1.137 -4.148 -0.117) 4.303 20.999 ( -0.946 2.127 0.482) 2.378 21.060 ( -2.085 1.078 -1.116) 2.599 21.388 ( -0.942 2.736 6.408) 7.031 21.713 ( -0.555 5.634 -9.250) 10.845 22.249 ( 0.284 0.431 0.191) 0.551 22.411 ( 1.411 -3.262 0.613) 3.606 ======================= Grid point 328 (99/102) ======================= q-point: (-0.44 0.56 0.43) Boundary mean free path (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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( 4.494 6.237 3.299) 8.365 1.507 ( -2.114 5.952 1.115) 6.414 1.913 ( 1.699 -3.455 0.336) 3.865 1.965 ( 3.342 1.103 2.268) 4.186 1.999 ( -1.763 -9.998 1.642) 10.284 2.157 ( -3.871 1.476 1.034) 4.270 2.414 ( -7.493 -4.729 2.988) 9.351 2.446 ( -0.942 -11.312 4.249) 12.121 2.844 ( 4.017 7.338 -2.016) 8.605 2.932 ( -1.228 -0.213 -5.645) 5.781 3.110 ( 0.742 4.197 7.690) 8.792 3.275 ( 1.560 -0.115 4.006) 4.300 3.603 ( 0.628 1.281 -4.608) 4.823 3.746 ( 3.091 1.871 1.705) 3.995 3.816 ( 0.950 7.635 -6.161) 9.857 4.006 ( -0.583 -2.815 1.130) 3.089 4.172 ( 1.716 -0.278 -0.871) 1.945 4.320 ( -5.285 0.449 0.344) 5.316 4.503 ( -2.073 -2.250 3.229) 4.448 4.573 ( 4.692 1.608 -2.482) 5.546 4.622 ( 3.134 0.881 0.258) 3.266 4.735 ( -0.359 -0.020 -4.127) 4.143 5.144 ( -4.991 0.779 0.759) 5.108 5.236 ( 0.599 -5.966 1.802) 6.261 8.752 ( -0.401 -0.863 -1.822) 2.055 8.768 ( 0.301 0.814 0.604) 1.058 8.819 ( -0.112 -0.351 -1.152) 1.210 9.004 ( -0.320 0.075 0.162) 0.366 9.859 ( 0.903 0.651 0.858) 1.406 9.979 ( -0.559 -0.707 0.152) 0.914 21.032 ( 1.915 1.269 0.677) 2.395 21.063 ( -0.130 1.535 -1.060) 1.870 21.429 ( 0.643 -1.507 4.978) 5.241 21.743 ( -1.242 2.487 -7.108) 7.632 22.285 ( 1.953 -0.909 -0.092) 2.156 22.357 ( -2.188 -1.135 0.467) 2.509 ======================= Grid point 330 (100/102) ======================= q-point: (-0.33 0.56 0.43) Boundary mean free path (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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( 2.592 6.328 3.082) 7.501 1.603 ( 5.355 2.551 5.902) 8.368 1.815 ( -1.814 -15.072 3.592) 15.600 1.923 ( -1.161 6.269 -3.593) 7.319 2.004 ( -3.834 1.037 -2.821) 4.872 2.149 ( 1.233 1.905 3.524) 4.192 2.238 ( -4.353 -4.553 5.465) 8.339 2.373 ( 5.173 -11.675 1.937) 12.916 2.797 ( -1.695 -7.729 -1.339) 8.025 2.957 ( 0.060 5.657 6.781) 8.831 3.229 ( -5.427 10.131 -0.840) 11.523 3.372 ( 11.050 2.254 -1.958) 11.446 3.579 ( -3.295 -2.517 -2.493) 4.838 3.756 ( -2.868 7.069 -1.991) 7.884 3.954 ( -1.507 -2.095 -0.463) 2.622 4.019 ( 9.077 5.181 0.978) 10.497 4.148 ( -4.412 -2.316 -4.687) 6.841 4.247 ( -1.219 -1.681 3.463) 4.038 4.438 ( -3.021 2.360 1.413) 4.086 4.599 ( 1.077 -4.068 -1.919) 4.625 4.709 ( -0.124 2.964 -6.726) 7.351 4.789 ( 5.033 3.436 2.659) 6.649 4.976 ( -10.259 2.251 0.774) 10.532 5.241 ( 6.663 -11.606 2.012) 13.533 8.736 ( -0.270 -0.556 -1.471) 1.596 8.785 ( 0.259 1.198 -0.533) 1.337 8.810 ( -0.585 -0.073 -0.697) 0.913 9.000 ( -0.208 0.269 1.031) 1.086 9.881 ( 0.289 0.859 0.336) 0.966 9.965 ( 1.093 -2.732 -0.109) 2.944 21.066 ( -1.479 2.436 0.475) 2.888 21.084 ( 1.320 1.447 -1.028) 2.212 21.409 ( -0.502 -1.645 3.704) 4.084 21.758 ( -1.315 4.813 -5.601) 7.501 22.293 ( -2.512 -0.044 0.620) 2.587 22.322 ( 2.869 -2.965 -0.004) 4.126 ======================= Grid point 331 (101/102) ======================= q-point: (-0.22 0.56 0.43) Boundary mean free path (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 2.84e-04 2.84e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( -7.052 -5.192 4.896) 10.033 1.646 ( -4.480 -5.225 3.885) 7.903 1.659 ( 8.916 6.102 2.305) 11.047 1.957 ( -2.455 2.615 -0.129) 3.589 2.044 ( -2.497 -2.492 0.415) 3.552 2.100 ( 5.349 5.679 -1.621) 7.968 2.256 ( 3.701 -0.322 4.552) 5.875 2.376 ( 7.537 -10.041 2.470) 12.795 2.793 ( 7.343 -2.284 -1.114) 7.771 2.968 ( -4.052 2.100 5.963) 7.509 3.197 ( -6.599 7.594 -1.338) 10.150 3.404 ( -7.499 -6.127 1.911) 9.870 3.572 ( 4.129 1.664 -4.199) 6.120 3.781 ( -3.642 5.662 -0.219) 6.735 3.931 ( -0.491 1.690 -0.785) 1.927 4.004 ( -4.521 -5.738 -5.122) 8.922 4.159 ( 0.372 1.557 1.061) 1.921 4.265 ( 5.742 -0.171 0.615) 5.778 4.455 ( 0.749 3.100 2.185) 3.866 4.580 ( 0.722 -2.006 -2.747) 3.478 4.710 ( -6.473 3.807 4.536) 8.773 4.742 ( -2.899 -1.925 -6.891) 7.720 5.030 ( 4.683 8.997 0.184) 10.145 5.221 ( 5.662 -13.058 2.138) 14.392 8.736 ( 0.560 -0.021 -1.438) 1.543 8.788 ( -1.051 0.196 -0.374) 1.133 8.808 ( 0.277 0.633 -0.912) 1.144 9.003 ( 0.120 0.174 0.944) 0.968 9.878 ( -1.196 0.325 0.639) 1.394 9.966 ( 1.893 -2.324 -0.262) 3.009 21.053 ( -2.327 2.100 -0.003) 3.134 21.096 ( -1.117 0.094 -0.643) 1.293 21.401 ( 0.809 0.106 4.162) 4.241 21.775 ( -1.722 2.515 -6.165) 6.877 22.264 ( -0.727 1.326 0.220) 1.528 22.344 ( 2.425 -2.737 0.571) 3.701 ======================= Grid point 340 (102/102) ======================= q-point: (-0.33 -0.33 0.43) Boundary mean free path (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 2.84e-04 2.84e-04 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( -2.213 -4.425 4.711) 6.831 1.555 ( 2.213 4.425 4.711) 6.831 1.685 ( 0.000 0.000 6.197) 6.197 2.033 ( -0.938 -1.877 -5.469) 5.858 2.033 ( 0.938 1.877 -5.469) 5.858 2.145 ( 0.000 -0.000 -0.596) 0.596 2.204 ( -0.953 -1.907 6.846) 7.171 2.204 ( 0.953 1.907 6.846) 7.171 2.704 ( 0.000 0.000 0.681) 0.681 3.010 ( 0.000 -0.000 6.692) 6.692 3.395 ( -2.067 -4.134 -0.751) 4.682 3.395 ( 2.067 4.134 -0.751) 4.682 3.503 ( -0.000 0.000 -6.238) 6.238 3.877 ( -2.093 -4.187 -1.322) 4.864 3.877 ( 2.093 4.187 -1.322) 4.864 4.105 ( -0.000 0.000 -2.059) 2.059 4.166 ( -2.087 -4.174 0.869) 4.747 4.166 ( 2.087 4.174 0.869) 4.747 4.503 ( -1.916 -3.831 -0.307) 4.294 4.503 ( 1.916 3.831 -0.307) 4.294 4.736 ( 0.000 -0.000 -6.815) 6.815 4.879 ( -0.000 0.000 5.716) 5.716 5.037 ( -2.099 -4.198 0.472) 4.717 5.037 ( 2.099 4.198 0.472) 4.717 8.730 ( 0.000 0.000 -1.457) 1.457 8.804 ( -0.249 -0.498 -0.830) 1.000 8.804 ( 0.249 0.498 -0.830) 1.000 9.002 ( 0.000 -0.000 1.383) 1.383 9.914 ( -0.999 -1.997 -0.009) 2.233 9.914 ( 0.999 1.997 -0.009) 2.233 21.098 ( -0.325 -0.651 -0.258) 0.772 21.098 ( 0.325 0.651 -0.258) 0.772 21.387 ( 0.000 0.000 3.012) 3.012 21.810 ( -0.000 0.000 -4.802) 4.802 22.290 ( -0.510 -1.019 0.371) 1.198 22.290 ( 0.510 1.019 0.371) 1.198 =================== 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 3/20412 10.0 149.479 149.479 145.574 -0.000 -0.000 -0.000 3/20412 20.0 35.785 35.785 29.638 -0.000 -0.000 -0.000 3/20412 30.0 14.743 14.743 11.438 -0.000 -0.000 -0.000 3/20412 40.0 8.308 8.308 6.233 -0.000 -0.000 -0.000 3/20412 50.0 5.633 5.633 4.140 -0.000 -0.000 -0.000 3/20412 60.0 4.255 4.255 3.085 -0.000 -0.000 -0.000 3/20412 70.0 3.432 3.432 2.466 -0.000 -0.000 -0.000 3/20412 80.0 2.888 2.888 2.064 -0.000 -0.000 -0.000 3/20412 90.0 2.502 2.502 1.783 -0.000 -0.000 -0.000 3/20412 100.0 2.214 2.214 1.577 -0.000 -0.000 -0.000 3/20412 110.0 1.991 1.991 1.420 -0.000 -0.000 -0.000 3/20412 120.0 1.813 1.813 1.298 -0.000 -0.000 -0.000 3/20412 130.0 1.668 1.668 1.201 -0.000 -0.000 -0.000 3/20412 140.0 1.548 1.548 1.124 -0.000 -0.000 -0.000 3/20412 150.0 1.448 1.448 1.062 -0.000 -0.000 -0.000 3/20412 160.0 1.362 1.362 1.012 -0.000 -0.000 -0.000 3/20412 170.0 1.288 1.288 0.971 -0.000 -0.000 -0.000 3/20412 180.0 1.223 1.223 0.937 -0.000 -0.000 -0.000 3/20412 190.0 1.167 1.167 0.909 -0.000 -0.000 -0.000 3/20412 200.0 1.117 1.117 0.885 -0.000 -0.000 -0.000 3/20412 210.0 1.072 1.072 0.865 -0.000 -0.000 -0.000 3/20412 220.0 1.032 1.032 0.848 -0.000 -0.000 -0.000 3/20412 230.0 0.995 0.995 0.832 -0.000 -0.000 -0.000 3/20412 240.0 0.962 0.962 0.819 -0.000 -0.000 -0.000 3/20412 250.0 0.932 0.932 0.806 -0.000 -0.000 -0.000 3/20412 260.0 0.903 0.903 0.795 -0.000 -0.000 -0.000 3/20412 270.0 0.877 0.877 0.784 -0.000 -0.000 -0.000 3/20412 280.0 0.853 0.853 0.774 -0.000 -0.000 -0.000 3/20412 290.0 0.830 0.830 0.764 -0.000 -0.000 -0.000 3/20412 300.0 0.809 0.809 0.755 -0.000 -0.000 -0.000 3/20412 310.0 0.789 0.789 0.746 -0.000 -0.000 -0.000 3/20412 320.0 0.770 0.770 0.737 -0.000 -0.000 -0.000 3/20412 330.0 0.752 0.752 0.728 -0.000 -0.000 -0.000 3/20412 340.0 0.734 0.734 0.720 -0.000 -0.000 -0.000 3/20412 350.0 0.718 0.718 0.711 -0.000 -0.000 -0.000 3/20412 360.0 0.703 0.703 0.703 -0.000 -0.000 -0.000 3/20412 370.0 0.688 0.688 0.694 -0.000 -0.000 -0.000 3/20412 380.0 0.674 0.674 0.686 -0.000 -0.000 -0.000 3/20412 390.0 0.660 0.660 0.678 -0.000 -0.000 -0.000 3/20412 400.0 0.647 0.647 0.670 -0.000 -0.000 -0.000 3/20412 410.0 0.634 0.634 0.662 -0.000 -0.000 -0.000 3/20412 420.0 0.622 0.622 0.654 -0.000 -0.000 -0.000 3/20412 430.0 0.611 0.611 0.646 -0.000 -0.000 -0.000 3/20412 440.0 0.599 0.599 0.638 -0.000 -0.000 -0.000 3/20412 450.0 0.589 0.589 0.630 -0.000 -0.000 -0.000 3/20412 460.0 0.578 0.578 0.623 -0.000 -0.000 -0.000 3/20412 470.0 0.568 0.568 0.615 -0.000 -0.000 -0.000 3/20412 480.0 0.559 0.559 0.608 -0.000 -0.000 -0.000 3/20412 490.0 0.549 0.549 0.601 -0.000 -0.000 -0.000 3/20412 500.0 0.540 0.540 0.593 -0.000 -0.000 -0.000 3/20412 510.0 0.531 0.531 0.586 -0.000 -0.000 -0.000 3/20412 520.0 0.523 0.523 0.579 -0.000 -0.000 -0.000 3/20412 530.0 0.515 0.515 0.573 -0.000 -0.000 -0.000 3/20412 540.0 0.507 0.507 0.566 -0.000 -0.000 -0.000 3/20412 550.0 0.499 0.499 0.559 -0.000 -0.000 -0.000 3/20412 560.0 0.491 0.491 0.553 -0.000 -0.000 -0.000 3/20412 570.0 0.484 0.484 0.546 -0.000 -0.000 -0.000 3/20412 580.0 0.477 0.477 0.540 -0.000 -0.000 -0.000 3/20412 590.0 0.470 0.470 0.534 -0.000 -0.000 -0.000 3/20412 600.0 0.463 0.463 0.528 -0.000 -0.000 -0.000 3/20412 610.0 0.457 0.457 0.522 -0.000 -0.000 -0.000 3/20412 620.0 0.450 0.450 0.516 -0.000 -0.000 -0.000 3/20412 630.0 0.444 0.444 0.510 -0.000 -0.000 -0.000 3/20412 640.0 0.438 0.438 0.504 -0.000 -0.000 -0.000 3/20412 650.0 0.432 0.432 0.499 -0.000 -0.000 -0.000 3/20412 660.0 0.426 0.426 0.493 -0.000 -0.000 -0.000 3/20412 670.0 0.421 0.421 0.488 -0.000 -0.000 -0.000 3/20412 680.0 0.415 0.415 0.483 -0.000 -0.000 -0.000 3/20412 690.0 0.410 0.410 0.478 -0.000 -0.000 -0.000 3/20412 700.0 0.405 0.405 0.472 -0.000 -0.000 -0.000 3/20412 710.0 0.400 0.400 0.467 -0.000 -0.000 -0.000 3/20412 720.0 0.395 0.395 0.463 -0.000 -0.000 -0.000 3/20412 730.0 0.390 0.390 0.458 -0.000 -0.000 -0.000 3/20412 740.0 0.385 0.385 0.453 -0.000 -0.000 -0.000 3/20412 750.0 0.381 0.381 0.448 -0.000 -0.000 -0.000 3/20412 760.0 0.376 0.376 0.444 -0.000 -0.000 -0.000 3/20412 770.0 0.372 0.372 0.439 -0.000 -0.000 -0.000 3/20412 780.0 0.368 0.368 0.435 -0.000 -0.000 -0.000 3/20412 790.0 0.364 0.364 0.430 -0.000 -0.000 -0.000 3/20412 800.0 0.359 0.359 0.426 -0.000 -0.000 -0.000 3/20412 810.0 0.355 0.355 0.422 -0.000 -0.000 -0.000 3/20412 820.0 0.351 0.351 0.418 -0.000 -0.000 -0.000 3/20412 830.0 0.348 0.348 0.414 -0.000 -0.000 -0.000 3/20412 840.0 0.344 0.344 0.410 -0.000 -0.000 -0.000 3/20412 850.0 0.340 0.340 0.406 -0.000 -0.000 -0.000 3/20412 860.0 0.337 0.337 0.402 -0.000 -0.000 -0.000 3/20412 870.0 0.333 0.333 0.398 -0.000 -0.000 -0.000 3/20412 880.0 0.330 0.330 0.395 -0.000 -0.000 -0.000 3/20412 890.0 0.326 0.326 0.391 -0.000 -0.000 -0.000 3/20412 900.0 0.323 0.323 0.387 -0.000 -0.000 -0.000 3/20412 910.0 0.320 0.320 0.384 -0.000 -0.000 -0.000 3/20412 920.0 0.316 0.316 0.380 -0.000 -0.000 -0.000 3/20412 930.0 0.313 0.313 0.377 -0.000 -0.000 -0.000 3/20412 940.0 0.310 0.310 0.374 -0.000 -0.000 -0.000 3/20412 950.0 0.307 0.307 0.370 -0.000 -0.000 -0.000 3/20412 960.0 0.304 0.304 0.367 -0.000 -0.000 -0.000 3/20412 970.0 0.301 0.301 0.364 -0.000 -0.000 -0.000 3/20412 980.0 0.299 0.299 0.361 -0.000 -0.000 -0.000 3/20412 990.0 0.296 0.296 0.358 -0.000 -0.000 -0.000 3/20412 1000.0 0.293 0.293 0.355 -0.000 -0.000 -0.000 3/20412 Thermal conductivity related properties were written into "kappa-m997.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:01:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|