----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:19:49]------------------------- 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 1 3] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) Number of symmetry operations in supercell: 96 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.794844510000000 -6.040436970000000 0.000000000000000 b 2.794844510000000 6.040436970000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.439698179999998 Atomic positions (fractional): *1 O 0.22812273103380 0.22812273103380 0.50000000000000 15.999 2 O 0.77187726896620 0.77187726896620 0.00000000000000 15.999 3 O 0.77187726896620 0.77187726896620 0.50000000000000 15.999 4 O 0.22812273103380 0.22812273103380 0.00000000000000 15.999 *5 Cl 0.25648150658145 0.74351849341855 0.75000000000000 35.453 6 Cl 0.74351849341855 0.25648150658145 0.25000000000000 35.453 *7 Sb 0.08176715717765 0.91823284282234 0.25000000000000 121.760 8 Sb 0.91823284282234 0.08176715717765 0.75000000000000 121.760 *9 Pb 0.38038048908905 0.61961951091095 0.25000000000000 207.200 10 Pb 0.61961951091095 0.38038048908905 0.75000000000000 207.200 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.589689020000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.080873940000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.439698179999999 Atomic positions (fractional): *1 O 0.22812273103380 0.00000000000000 0.50000000000000 15.999 > 1 2 O 0.77187726896620 0.00000000000000 0.00000000000000 15.999 > 2 3 O 0.77187726896620 0.00000000000000 0.50000000000000 15.999 > 3 4 O 0.22812273103380 0.00000000000000 0.00000000000000 15.999 > 4 5 O 0.72812273103380 0.50000000000000 0.50000000000000 15.999 > 1 6 O 0.27187726896620 0.50000000000000 0.00000000000000 15.999 > 2 7 O 0.27187726896620 0.50000000000000 0.50000000000000 15.999 > 3 8 O 0.72812273103380 0.50000000000000 0.00000000000000 15.999 > 4 *9 Cl 0.50000000000000 0.24351849341855 0.75000000000000 35.453 > 5 10 Cl 0.00000000000000 0.25648150658145 0.25000000000000 35.453 > 6 11 Cl 0.00000000000000 0.74351849341855 0.75000000000000 35.453 > 5 12 Cl 0.50000000000000 0.75648150658145 0.25000000000000 35.453 > 6 *13 Sb 0.50000000000000 0.41823284282235 0.25000000000000 121.760 > 7 14 Sb 0.00000000000000 0.08176715717765 0.75000000000000 121.760 > 8 15 Sb 0.00000000000000 0.91823284282234 0.25000000000000 121.760 > 7 16 Sb 0.50000000000000 0.58176715717766 0.75000000000000 121.760 > 8 *17 Pb 0.50000000000000 0.11961951091095 0.25000000000000 207.200 > 9 18 Pb 0.00000000000000 0.38038048908905 0.75000000000000 207.200 > 10 19 Pb 0.00000000000000 0.61961951091095 0.25000000000000 207.200 > 9 20 Pb 0.50000000000000 0.88038048908905 0.75000000000000 207.200 > 10 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.179378040000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.080873940000000 0.000000000000000 c 0.000000000000000 0.000000000000000 16.319094539999995 Atomic positions (fractional): *1 O 0.11406136551690 0.00000000000000 0.16666666666667 15.999 > 1 2 O 0.61406136551690 0.00000000000000 0.16666666666667 15.999 > 1 3 O 0.11406136551690 0.00000000000000 0.50000000000000 15.999 > 1 4 O 0.61406136551690 0.00000000000000 0.50000000000000 15.999 > 1 5 O 0.11406136551690 0.00000000000000 0.83333333333333 15.999 > 1 6 O 0.61406136551690 0.00000000000000 0.83333333333333 15.999 > 1 7 O 0.38593863448310 0.00000000000000 0.00000000000000 15.999 > 2 8 O 0.88593863448310 0.00000000000000 0.00000000000000 15.999 > 2 9 O 0.38593863448310 0.00000000000000 0.33333333333333 15.999 > 2 10 O 0.88593863448310 0.00000000000000 0.33333333333333 15.999 > 2 11 O 0.38593863448310 0.00000000000000 0.66666666666667 15.999 > 2 12 O 0.88593863448310 0.00000000000000 0.66666666666667 15.999 > 2 13 O 0.38593863448310 0.00000000000000 0.16666666666667 15.999 > 3 14 O 0.88593863448310 0.00000000000000 0.16666666666667 15.999 > 3 15 O 0.38593863448310 0.00000000000000 0.50000000000000 15.999 > 3 16 O 0.88593863448310 0.00000000000000 0.50000000000000 15.999 > 3 17 O 0.38593863448310 0.00000000000000 0.83333333333333 15.999 > 3 18 O 0.88593863448310 0.00000000000000 0.83333333333333 15.999 > 3 19 O 0.11406136551690 0.00000000000000 0.00000000000000 15.999 > 4 20 O 0.61406136551690 0.00000000000000 0.00000000000000 15.999 > 4 21 O 0.11406136551690 0.00000000000000 0.33333333333333 15.999 > 4 22 O 0.61406136551690 0.00000000000000 0.33333333333333 15.999 > 4 23 O 0.11406136551690 0.00000000000000 0.66666666666667 15.999 > 4 24 O 0.61406136551690 0.00000000000000 0.66666666666667 15.999 > 4 25 O 0.36406136551690 0.50000000000000 0.16666666666667 15.999 > 1 26 O 0.86406136551690 0.50000000000000 0.16666666666667 15.999 > 1 27 O 0.36406136551690 0.50000000000000 0.50000000000000 15.999 > 1 28 O 0.86406136551690 0.50000000000000 0.50000000000000 15.999 > 1 29 O 0.36406136551690 0.50000000000000 0.83333333333333 15.999 > 1 30 O 0.86406136551690 0.50000000000000 0.83333333333333 15.999 > 1 31 O 0.13593863448310 0.50000000000000 0.00000000000000 15.999 > 2 32 O 0.63593863448310 0.50000000000000 0.00000000000000 15.999 > 2 33 O 0.13593863448310 0.50000000000000 0.33333333333333 15.999 > 2 34 O 0.63593863448310 0.50000000000000 0.33333333333333 15.999 > 2 35 O 0.13593863448310 0.50000000000000 0.66666666666667 15.999 > 2 36 O 0.63593863448310 0.50000000000000 0.66666666666667 15.999 > 2 37 O 0.13593863448310 0.50000000000000 0.16666666666667 15.999 > 3 38 O 0.63593863448310 0.50000000000000 0.16666666666667 15.999 > 3 39 O 0.13593863448310 0.50000000000000 0.50000000000000 15.999 > 3 40 O 0.63593863448310 0.50000000000000 0.50000000000000 15.999 > 3 41 O 0.13593863448310 0.50000000000000 0.83333333333333 15.999 > 3 42 O 0.63593863448310 0.50000000000000 0.83333333333333 15.999 > 3 43 O 0.36406136551690 0.50000000000000 0.00000000000000 15.999 > 4 44 O 0.86406136551690 0.50000000000000 0.00000000000000 15.999 > 4 45 O 0.36406136551690 0.50000000000000 0.33333333333333 15.999 > 4 46 O 0.86406136551690 0.50000000000000 0.33333333333333 15.999 > 4 47 O 0.36406136551690 0.50000000000000 0.66666666666667 15.999 > 4 48 O 0.86406136551690 0.50000000000000 0.66666666666667 15.999 > 4 *49 Cl 0.25000000000000 0.24351849341855 0.25000000000000 35.453 > 5 50 Cl 0.75000000000000 0.24351849341855 0.25000000000000 35.453 > 5 51 Cl 0.25000000000000 0.24351849341855 0.58333333333333 35.453 > 5 52 Cl 0.75000000000000 0.24351849341855 0.58333333333333 35.453 > 5 53 Cl 0.25000000000000 0.24351849341855 0.91666666666667 35.453 > 5 54 Cl 0.75000000000000 0.24351849341855 0.91666666666667 35.453 > 5 55 Cl 0.00000000000000 0.25648150658145 0.08333333333333 35.453 > 6 56 Cl 0.50000000000000 0.25648150658145 0.08333333333333 35.453 > 6 57 Cl 0.00000000000000 0.25648150658145 0.41666666666667 35.453 > 6 58 Cl 0.50000000000000 0.25648150658145 0.41666666666667 35.453 > 6 59 Cl 0.00000000000000 0.25648150658145 0.75000000000000 35.453 > 6 60 Cl 0.50000000000000 0.25648150658145 0.75000000000000 35.453 > 6 61 Cl 0.00000000000000 0.74351849341855 0.25000000000000 35.453 > 5 62 Cl 0.50000000000000 0.74351849341855 0.25000000000000 35.453 > 5 63 Cl 0.00000000000000 0.74351849341855 0.58333333333333 35.453 > 5 64 Cl 0.50000000000000 0.74351849341855 0.58333333333333 35.453 > 5 65 Cl 0.00000000000000 0.74351849341855 0.91666666666667 35.453 > 5 66 Cl 0.50000000000000 0.74351849341855 0.91666666666667 35.453 > 5 67 Cl 0.25000000000000 0.75648150658145 0.08333333333333 35.453 > 6 68 Cl 0.75000000000000 0.75648150658145 0.08333333333333 35.453 > 6 69 Cl 0.25000000000000 0.75648150658145 0.41666666666667 35.453 > 6 70 Cl 0.75000000000000 0.75648150658145 0.41666666666667 35.453 > 6 71 Cl 0.25000000000000 0.75648150658145 0.75000000000000 35.453 > 6 72 Cl 0.75000000000000 0.75648150658145 0.75000000000000 35.453 > 6 *73 Sb 0.25000000000000 0.41823284282235 0.08333333333333 121.760 > 7 74 Sb 0.75000000000000 0.41823284282235 0.08333333333333 121.760 > 7 75 Sb 0.25000000000000 0.41823284282235 0.41666666666667 121.760 > 7 76 Sb 0.75000000000000 0.41823284282235 0.41666666666667 121.760 > 7 77 Sb 0.25000000000000 0.41823284282235 0.75000000000000 121.760 > 7 78 Sb 0.75000000000000 0.41823284282235 0.75000000000000 121.760 > 7 79 Sb 0.00000000000000 0.08176715717765 0.25000000000000 121.760 > 8 80 Sb 0.50000000000000 0.08176715717765 0.25000000000000 121.760 > 8 81 Sb 0.00000000000000 0.08176715717765 0.58333333333333 121.760 > 8 82 Sb 0.50000000000000 0.08176715717765 0.58333333333333 121.760 > 8 83 Sb 0.00000000000000 0.08176715717765 0.91666666666667 121.760 > 8 84 Sb 0.50000000000000 0.08176715717765 0.91666666666667 121.760 > 8 85 Sb 0.00000000000000 0.91823284282234 0.08333333333333 121.760 > 7 86 Sb 0.50000000000000 0.91823284282234 0.08333333333333 121.760 > 7 87 Sb 0.00000000000000 0.91823284282234 0.41666666666667 121.760 > 7 88 Sb 0.50000000000000 0.91823284282234 0.41666666666667 121.760 > 7 89 Sb 0.00000000000000 0.91823284282234 0.75000000000000 121.760 > 7 90 Sb 0.50000000000000 0.91823284282234 0.75000000000000 121.760 > 7 91 Sb 0.25000000000000 0.58176715717766 0.25000000000000 121.760 > 8 92 Sb 0.75000000000000 0.58176715717766 0.25000000000000 121.760 > 8 93 Sb 0.25000000000000 0.58176715717766 0.58333333333333 121.760 > 8 94 Sb 0.75000000000000 0.58176715717766 0.58333333333333 121.760 > 8 95 Sb 0.25000000000000 0.58176715717766 0.91666666666667 121.760 > 8 96 Sb 0.75000000000000 0.58176715717766 0.91666666666667 121.760 > 8 *97 Pb 0.25000000000000 0.11961951091095 0.08333333333333 207.200 > 9 98 Pb 0.75000000000000 0.11961951091095 0.08333333333333 207.200 > 9 99 Pb 0.25000000000000 0.11961951091095 0.41666666666667 207.200 > 9 100 Pb 0.75000000000000 0.11961951091095 0.41666666666667 207.200 > 9 101 Pb 0.25000000000000 0.11961951091095 0.75000000000000 207.200 > 9 102 Pb 0.75000000000000 0.11961951091095 0.75000000000000 207.200 > 9 103 Pb 0.00000000000000 0.38038048908905 0.25000000000000 207.200 > 10 104 Pb 0.50000000000000 0.38038048908905 0.25000000000000 207.200 > 10 105 Pb 0.00000000000000 0.38038048908905 0.58333333333333 207.200 > 10 106 Pb 0.50000000000000 0.38038048908905 0.58333333333333 207.200 > 10 107 Pb 0.00000000000000 0.38038048908905 0.91666666666667 207.200 > 10 108 Pb 0.50000000000000 0.38038048908905 0.91666666666667 207.200 > 10 109 Pb 0.00000000000000 0.61961951091095 0.08333333333333 207.200 > 9 110 Pb 0.50000000000000 0.61961951091095 0.08333333333333 207.200 > 9 111 Pb 0.00000000000000 0.61961951091095 0.41666666666667 207.200 > 9 112 Pb 0.50000000000000 0.61961951091095 0.41666666666667 207.200 > 9 113 Pb 0.00000000000000 0.61961951091095 0.75000000000000 207.200 > 9 114 Pb 0.50000000000000 0.61961951091095 0.75000000000000 207.200 > 9 115 Pb 0.25000000000000 0.88038048908905 0.25000000000000 207.200 > 10 116 Pb 0.75000000000000 0.88038048908905 0.25000000000000 207.200 > 10 117 Pb 0.25000000000000 0.88038048908905 0.58333333333333 207.200 > 10 118 Pb 0.75000000000000 0.88038048908905 0.58333333333333 207.200 > 10 119 Pb 0.25000000000000 0.88038048908905 0.91666666666667 207.200 > 10 120 Pb 0.75000000000000 0.88038048908905 0.91666666666667 207.200 > 10 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.9782911 0.0000000 0.0000000 0.0000000 5.7696873 0.0000000 0.0000000 0.0000000 6.2429747 -------------------------- Born effective charges -------------------------- 1 O -2.8154475 0.0000000 0.0000000 0.0000000 -2.2910126 -0.1880737 0.0000000 -0.5939112 -3.0776027 2 O -2.8154475 0.0000000 0.0000000 0.0000000 -2.2910126 0.1880737 0.0000000 0.5939112 -3.0776027 3 O -2.8154475 0.0000000 0.0000000 0.0000000 -2.2910126 -0.1880737 0.0000000 -0.5939112 -3.0776027 4 O -2.8154475 0.0000000 0.0000000 0.0000000 -2.2910126 0.1880737 0.0000000 0.5939112 -3.0776027 5 Cl -1.9515318 0.0000000 0.0000000 0.0000000 -1.7499528 0.0000000 0.0000000 0.0000000 -2.1577362 6 Cl -1.9515318 0.0000000 0.0000000 0.0000000 -1.7499528 0.0000000 0.0000000 0.0000000 -2.1577362 7 Sb 3.7364542 0.0000000 0.0000000 0.0000000 2.8954609 0.0000000 0.0000000 0.0000000 4.7266262 8 Sb 3.7364542 0.0000000 0.0000000 0.0000000 2.8954609 0.0000000 0.0000000 0.0000000 4.7266262 9 Pb 3.8459725 0.0000000 0.0000000 0.0000000 3.4365171 0.0000000 0.0000000 0.0000000 3.5863154 10 Pb 3.8459725 0.0000000 0.0000000 0.0000000 3.4365171 0.0000000 0.0000000 0.0000000 3.5863154 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 6366/6366 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 796 Number of blocks in projector: 796 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 158 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 136 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 136 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 136 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 124 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 106 Use standard eigh solver. Tree of FC basis block matrices: - (796, 782), data: False |-- (106, 106), data: True |-- (124, 124), data: True |-- (136, 132), data: True |-- (136, 132), data: True |-- (136, 132), data: True |-- (158, 156), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 160 - Time: 0.788 Solver_block: 160 / 160 - Time: 0.510 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.312 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 360/360 Permutation basis: 6366/6366 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 796 Number of blocks in projector: 796 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 158 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 136 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 136 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 136 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 124 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 106 Use standard eigh solver. Tree of FC basis block matrices: - (796, 782), data: False |-- (106, 106), data: True |-- (124, 124), data: True |-- (136, 132), data: True |-- (136, 132), data: True |-- (136, 132), data: True |-- (158, 156), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 05:19:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:19:58]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 3] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.794844510000000 -6.040436970000000 0.000000000000000 b 2.794844510000000 6.040436970000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.439698179999998 Atomic positions (fractional): 1 O 0.22812273103380 0.22812273103380 0.50000000000000 15.999 2 O 0.77187726896620 0.77187726896620 0.00000000000000 15.999 3 O 0.77187726896620 0.77187726896620 0.50000000000000 15.999 4 O 0.22812273103380 0.22812273103380 0.00000000000000 15.999 5 Cl 0.25648150658145 0.74351849341855 0.75000000000000 35.453 6 Cl 0.74351849341855 0.25648150658145 0.25000000000000 35.453 7 Sb 0.08176715717765 0.91823284282234 0.25000000000000 121.760 8 Sb 0.91823284282234 0.08176715717765 0.75000000000000 121.760 9 Pb 0.38038048908905 0.61961951091095 0.25000000000000 207.200 10 Pb 0.61961951091095 0.38038048908905 0.75000000000000 207.200 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.179378040000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.080873940000000 0.000000000000000 c 0.000000000000000 0.000000000000000 16.319094539999995 Atomic positions (fractional): 1 O 0.11406136551690 0.00000000000000 0.16666666666667 15.999 > 1 2 O 0.61406136551690 0.00000000000000 0.16666666666667 15.999 > 1 3 O 0.11406136551690 0.00000000000000 0.50000000000000 15.999 > 1 4 O 0.61406136551690 0.00000000000000 0.50000000000000 15.999 > 1 5 O 0.11406136551690 0.00000000000000 0.83333333333333 15.999 > 1 6 O 0.61406136551690 0.00000000000000 0.83333333333333 15.999 > 1 7 O 0.38593863448310 0.00000000000000 0.00000000000000 15.999 > 7 8 O 0.88593863448310 0.00000000000000 0.00000000000000 15.999 > 7 9 O 0.38593863448310 0.00000000000000 0.33333333333333 15.999 > 7 10 O 0.88593863448310 0.00000000000000 0.33333333333333 15.999 > 7 11 O 0.38593863448310 0.00000000000000 0.66666666666667 15.999 > 7 12 O 0.88593863448310 0.00000000000000 0.66666666666667 15.999 > 7 13 O 0.38593863448310 0.00000000000000 0.16666666666667 15.999 > 13 14 O 0.88593863448310 0.00000000000000 0.16666666666667 15.999 > 13 15 O 0.38593863448310 0.00000000000000 0.50000000000000 15.999 > 13 16 O 0.88593863448310 0.00000000000000 0.50000000000000 15.999 > 13 17 O 0.38593863448310 0.00000000000000 0.83333333333333 15.999 > 13 18 O 0.88593863448310 0.00000000000000 0.83333333333333 15.999 > 13 19 O 0.11406136551690 0.00000000000000 0.00000000000000 15.999 > 19 20 O 0.61406136551690 0.00000000000000 0.00000000000000 15.999 > 19 21 O 0.11406136551690 0.00000000000000 0.33333333333333 15.999 > 19 22 O 0.61406136551690 0.00000000000000 0.33333333333333 15.999 > 19 23 O 0.11406136551690 0.00000000000000 0.66666666666667 15.999 > 19 24 O 0.61406136551690 0.00000000000000 0.66666666666667 15.999 > 19 25 O 0.36406136551690 0.50000000000000 0.16666666666667 15.999 > 1 26 O 0.86406136551690 0.50000000000000 0.16666666666667 15.999 > 1 27 O 0.36406136551690 0.50000000000000 0.50000000000000 15.999 > 1 28 O 0.86406136551690 0.50000000000000 0.50000000000000 15.999 > 1 29 O 0.36406136551690 0.50000000000000 0.83333333333333 15.999 > 1 30 O 0.86406136551690 0.50000000000000 0.83333333333333 15.999 > 1 31 O 0.13593863448310 0.50000000000000 0.00000000000000 15.999 > 7 32 O 0.63593863448310 0.50000000000000 0.00000000000000 15.999 > 7 33 O 0.13593863448310 0.50000000000000 0.33333333333333 15.999 > 7 34 O 0.63593863448310 0.50000000000000 0.33333333333333 15.999 > 7 35 O 0.13593863448310 0.50000000000000 0.66666666666667 15.999 > 7 36 O 0.63593863448310 0.50000000000000 0.66666666666667 15.999 > 7 37 O 0.13593863448310 0.50000000000000 0.16666666666667 15.999 > 13 38 O 0.63593863448310 0.50000000000000 0.16666666666667 15.999 > 13 39 O 0.13593863448310 0.50000000000000 0.50000000000000 15.999 > 13 40 O 0.63593863448310 0.50000000000000 0.50000000000000 15.999 > 13 41 O 0.13593863448310 0.50000000000000 0.83333333333333 15.999 > 13 42 O 0.63593863448310 0.50000000000000 0.83333333333333 15.999 > 13 43 O 0.36406136551690 0.50000000000000 0.00000000000000 15.999 > 19 44 O 0.86406136551690 0.50000000000000 0.00000000000000 15.999 > 19 45 O 0.36406136551690 0.50000000000000 0.33333333333333 15.999 > 19 46 O 0.86406136551690 0.50000000000000 0.33333333333333 15.999 > 19 47 O 0.36406136551690 0.50000000000000 0.66666666666667 15.999 > 19 48 O 0.86406136551690 0.50000000000000 0.66666666666667 15.999 > 19 49 Cl 0.25000000000000 0.24351849341855 0.25000000000000 35.453 > 49 50 Cl 0.75000000000000 0.24351849341855 0.25000000000000 35.453 > 49 51 Cl 0.25000000000000 0.24351849341855 0.58333333333333 35.453 > 49 52 Cl 0.75000000000000 0.24351849341855 0.58333333333333 35.453 > 49 53 Cl 0.25000000000000 0.24351849341855 0.91666666666667 35.453 > 49 54 Cl 0.75000000000000 0.24351849341855 0.91666666666667 35.453 > 49 55 Cl 0.00000000000000 0.25648150658145 0.08333333333333 35.453 > 55 56 Cl 0.50000000000000 0.25648150658145 0.08333333333333 35.453 > 55 57 Cl 0.00000000000000 0.25648150658145 0.41666666666667 35.453 > 55 58 Cl 0.50000000000000 0.25648150658145 0.41666666666667 35.453 > 55 59 Cl 0.00000000000000 0.25648150658145 0.75000000000000 35.453 > 55 60 Cl 0.50000000000000 0.25648150658145 0.75000000000000 35.453 > 55 61 Cl 0.00000000000000 0.74351849341855 0.25000000000000 35.453 > 49 62 Cl 0.50000000000000 0.74351849341855 0.25000000000000 35.453 > 49 63 Cl 0.00000000000000 0.74351849341855 0.58333333333333 35.453 > 49 64 Cl 0.50000000000000 0.74351849341855 0.58333333333333 35.453 > 49 65 Cl 0.00000000000000 0.74351849341855 0.91666666666667 35.453 > 49 66 Cl 0.50000000000000 0.74351849341855 0.91666666666667 35.453 > 49 67 Cl 0.25000000000000 0.75648150658145 0.08333333333333 35.453 > 55 68 Cl 0.75000000000000 0.75648150658145 0.08333333333333 35.453 > 55 69 Cl 0.25000000000000 0.75648150658145 0.41666666666667 35.453 > 55 70 Cl 0.75000000000000 0.75648150658145 0.41666666666667 35.453 > 55 71 Cl 0.25000000000000 0.75648150658145 0.75000000000000 35.453 > 55 72 Cl 0.75000000000000 0.75648150658145 0.75000000000000 35.453 > 55 73 Sb 0.25000000000000 0.41823284282235 0.08333333333333 121.760 > 73 74 Sb 0.75000000000000 0.41823284282235 0.08333333333333 121.760 > 73 75 Sb 0.25000000000000 0.41823284282235 0.41666666666667 121.760 > 73 76 Sb 0.75000000000000 0.41823284282235 0.41666666666667 121.760 > 73 77 Sb 0.25000000000000 0.41823284282235 0.75000000000000 121.760 > 73 78 Sb 0.75000000000000 0.41823284282235 0.75000000000000 121.760 > 73 79 Sb 0.00000000000000 0.08176715717765 0.25000000000000 121.760 > 79 80 Sb 0.50000000000000 0.08176715717765 0.25000000000000 121.760 > 79 81 Sb 0.00000000000000 0.08176715717765 0.58333333333333 121.760 > 79 82 Sb 0.50000000000000 0.08176715717765 0.58333333333333 121.760 > 79 83 Sb 0.00000000000000 0.08176715717765 0.91666666666667 121.760 > 79 84 Sb 0.50000000000000 0.08176715717765 0.91666666666667 121.760 > 79 85 Sb 0.00000000000000 0.91823284282234 0.08333333333333 121.760 > 73 86 Sb 0.50000000000000 0.91823284282234 0.08333333333333 121.760 > 73 87 Sb 0.00000000000000 0.91823284282234 0.41666666666667 121.760 > 73 88 Sb 0.50000000000000 0.91823284282234 0.41666666666667 121.760 > 73 89 Sb 0.00000000000000 0.91823284282234 0.75000000000000 121.760 > 73 90 Sb 0.50000000000000 0.91823284282234 0.75000000000000 121.760 > 73 91 Sb 0.25000000000000 0.58176715717766 0.25000000000000 121.760 > 79 92 Sb 0.75000000000000 0.58176715717766 0.25000000000000 121.760 > 79 93 Sb 0.25000000000000 0.58176715717766 0.58333333333333 121.760 > 79 94 Sb 0.75000000000000 0.58176715717766 0.58333333333333 121.760 > 79 95 Sb 0.25000000000000 0.58176715717766 0.91666666666667 121.760 > 79 96 Sb 0.75000000000000 0.58176715717766 0.91666666666667 121.760 > 79 97 Pb 0.25000000000000 0.11961951091095 0.08333333333333 207.200 > 97 98 Pb 0.75000000000000 0.11961951091095 0.08333333333333 207.200 > 97 99 Pb 0.25000000000000 0.11961951091095 0.41666666666667 207.200 > 97 100 Pb 0.75000000000000 0.11961951091095 0.41666666666667 207.200 > 97 101 Pb 0.25000000000000 0.11961951091095 0.75000000000000 207.200 > 97 102 Pb 0.75000000000000 0.11961951091095 0.75000000000000 207.200 > 97 103 Pb 0.00000000000000 0.38038048908905 0.25000000000000 207.200 > 103 104 Pb 0.50000000000000 0.38038048908905 0.25000000000000 207.200 > 103 105 Pb 0.00000000000000 0.38038048908905 0.58333333333333 207.200 > 103 106 Pb 0.50000000000000 0.38038048908905 0.58333333333333 207.200 > 103 107 Pb 0.00000000000000 0.38038048908905 0.91666666666667 207.200 > 103 108 Pb 0.50000000000000 0.38038048908905 0.91666666666667 207.200 > 103 109 Pb 0.00000000000000 0.61961951091095 0.08333333333333 207.200 > 97 110 Pb 0.50000000000000 0.61961951091095 0.08333333333333 207.200 > 97 111 Pb 0.00000000000000 0.61961951091095 0.41666666666667 207.200 > 97 112 Pb 0.50000000000000 0.61961951091095 0.41666666666667 207.200 > 97 113 Pb 0.00000000000000 0.61961951091095 0.75000000000000 207.200 > 97 114 Pb 0.50000000000000 0.61961951091095 0.75000000000000 207.200 > 97 115 Pb 0.25000000000000 0.88038048908905 0.25000000000000 207.200 > 103 116 Pb 0.75000000000000 0.88038048908905 0.25000000000000 207.200 > 103 117 Pb 0.25000000000000 0.88038048908905 0.58333333333333 207.200 > 103 118 Pb 0.75000000000000 0.88038048908905 0.58333333333333 207.200 > 103 119 Pb 0.25000000000000 0.88038048908905 0.91666666666667 207.200 > 103 120 Pb 0.75000000000000 0.88038048908905 0.91666666666667 207.200 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.9782911 0.0000000 0.0000000 0.0000000 5.7696873 0.0000000 0.0000000 0.0000000 6.2429747 -------------------------- Born effective charges -------------------------- 1 O -2.8154475 0.0000000 0.0000000 0.0000000 -2.2910126 -0.1880737 0.0000000 -0.5939112 -3.0776027 2 O -2.8154475 0.0000000 0.0000000 0.0000000 -2.2910126 0.1880737 0.0000000 0.5939112 -3.0776027 3 O -2.8154475 0.0000000 0.0000000 0.0000000 -2.2910126 -0.1880737 0.0000000 -0.5939112 -3.0776027 4 O -2.8154475 0.0000000 0.0000000 0.0000000 -2.2910126 0.1880737 0.0000000 0.5939112 -3.0776027 5 Cl -1.9515318 0.0000000 0.0000000 0.0000000 -1.7499528 0.0000000 0.0000000 0.0000000 -2.1577362 6 Cl -1.9515318 0.0000000 0.0000000 0.0000000 -1.7499528 0.0000000 0.0000000 0.0000000 -2.1577362 7 Sb 3.7364542 0.0000000 0.0000000 0.0000000 2.8954609 0.0000000 0.0000000 0.0000000 4.7266262 8 Sb 3.7364542 0.0000000 0.0000000 0.0000000 2.8954609 0.0000000 0.0000000 0.0000000 4.7266262 9 Pb 3.8459725 0.0000000 0.0000000 0.0000000 3.4365171 0.0000000 0.0000000 0.0000000 3.5863154 10 Pb 3.8459725 0.0000000 0.0000000 0.0000000 3.4365171 0.0000000 0.0000000 0.0000000 3.5863154 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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: -0.00000003 (yyy) -0.00000003 (yyy) -0.00000003 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yz) -0.00000000 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:20:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:20:10]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 3] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.794844510000000 -6.040436970000000 0.000000000000000 b 2.794844510000000 6.040436970000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.439698179999998 Atomic positions (fractional): 1 O 0.22812273103380 0.22812273103380 0.50000000000000 15.999 2 O 0.77187726896620 0.77187726896620 0.00000000000000 15.999 3 O 0.77187726896620 0.77187726896620 0.50000000000000 15.999 4 O 0.22812273103380 0.22812273103380 0.00000000000000 15.999 5 Cl 0.25648150658145 0.74351849341855 0.75000000000000 35.453 6 Cl 0.74351849341855 0.25648150658145 0.25000000000000 35.453 7 Sb 0.08176715717765 0.91823284282234 0.25000000000000 121.760 8 Sb 0.91823284282234 0.08176715717765 0.75000000000000 121.760 9 Pb 0.38038048908905 0.61961951091095 0.25000000000000 207.200 10 Pb 0.61961951091095 0.38038048908905 0.75000000000000 207.200 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.179378040000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.080873940000000 0.000000000000000 c 0.000000000000000 0.000000000000000 16.319094539999995 Atomic positions (fractional): 1 O 0.11406136551690 0.00000000000000 0.16666666666667 15.999 > 1 2 O 0.61406136551690 0.00000000000000 0.16666666666667 15.999 > 1 3 O 0.11406136551690 0.00000000000000 0.50000000000000 15.999 > 1 4 O 0.61406136551690 0.00000000000000 0.50000000000000 15.999 > 1 5 O 0.11406136551690 0.00000000000000 0.83333333333333 15.999 > 1 6 O 0.61406136551690 0.00000000000000 0.83333333333333 15.999 > 1 7 O 0.38593863448310 0.00000000000000 0.00000000000000 15.999 > 7 8 O 0.88593863448310 0.00000000000000 0.00000000000000 15.999 > 7 9 O 0.38593863448310 0.00000000000000 0.33333333333333 15.999 > 7 10 O 0.88593863448310 0.00000000000000 0.33333333333333 15.999 > 7 11 O 0.38593863448310 0.00000000000000 0.66666666666667 15.999 > 7 12 O 0.88593863448310 0.00000000000000 0.66666666666667 15.999 > 7 13 O 0.38593863448310 0.00000000000000 0.16666666666667 15.999 > 13 14 O 0.88593863448310 0.00000000000000 0.16666666666667 15.999 > 13 15 O 0.38593863448310 0.00000000000000 0.50000000000000 15.999 > 13 16 O 0.88593863448310 0.00000000000000 0.50000000000000 15.999 > 13 17 O 0.38593863448310 0.00000000000000 0.83333333333333 15.999 > 13 18 O 0.88593863448310 0.00000000000000 0.83333333333333 15.999 > 13 19 O 0.11406136551690 0.00000000000000 0.00000000000000 15.999 > 19 20 O 0.61406136551690 0.00000000000000 0.00000000000000 15.999 > 19 21 O 0.11406136551690 0.00000000000000 0.33333333333333 15.999 > 19 22 O 0.61406136551690 0.00000000000000 0.33333333333333 15.999 > 19 23 O 0.11406136551690 0.00000000000000 0.66666666666667 15.999 > 19 24 O 0.61406136551690 0.00000000000000 0.66666666666667 15.999 > 19 25 O 0.36406136551690 0.50000000000000 0.16666666666667 15.999 > 1 26 O 0.86406136551690 0.50000000000000 0.16666666666667 15.999 > 1 27 O 0.36406136551690 0.50000000000000 0.50000000000000 15.999 > 1 28 O 0.86406136551690 0.50000000000000 0.50000000000000 15.999 > 1 29 O 0.36406136551690 0.50000000000000 0.83333333333333 15.999 > 1 30 O 0.86406136551690 0.50000000000000 0.83333333333333 15.999 > 1 31 O 0.13593863448310 0.50000000000000 0.00000000000000 15.999 > 7 32 O 0.63593863448310 0.50000000000000 0.00000000000000 15.999 > 7 33 O 0.13593863448310 0.50000000000000 0.33333333333333 15.999 > 7 34 O 0.63593863448310 0.50000000000000 0.33333333333333 15.999 > 7 35 O 0.13593863448310 0.50000000000000 0.66666666666667 15.999 > 7 36 O 0.63593863448310 0.50000000000000 0.66666666666667 15.999 > 7 37 O 0.13593863448310 0.50000000000000 0.16666666666667 15.999 > 13 38 O 0.63593863448310 0.50000000000000 0.16666666666667 15.999 > 13 39 O 0.13593863448310 0.50000000000000 0.50000000000000 15.999 > 13 40 O 0.63593863448310 0.50000000000000 0.50000000000000 15.999 > 13 41 O 0.13593863448310 0.50000000000000 0.83333333333333 15.999 > 13 42 O 0.63593863448310 0.50000000000000 0.83333333333333 15.999 > 13 43 O 0.36406136551690 0.50000000000000 0.00000000000000 15.999 > 19 44 O 0.86406136551690 0.50000000000000 0.00000000000000 15.999 > 19 45 O 0.36406136551690 0.50000000000000 0.33333333333333 15.999 > 19 46 O 0.86406136551690 0.50000000000000 0.33333333333333 15.999 > 19 47 O 0.36406136551690 0.50000000000000 0.66666666666667 15.999 > 19 48 O 0.86406136551690 0.50000000000000 0.66666666666667 15.999 > 19 49 Cl 0.25000000000000 0.24351849341855 0.25000000000000 35.453 > 49 50 Cl 0.75000000000000 0.24351849341855 0.25000000000000 35.453 > 49 51 Cl 0.25000000000000 0.24351849341855 0.58333333333333 35.453 > 49 52 Cl 0.75000000000000 0.24351849341855 0.58333333333333 35.453 > 49 53 Cl 0.25000000000000 0.24351849341855 0.91666666666667 35.453 > 49 54 Cl 0.75000000000000 0.24351849341855 0.91666666666667 35.453 > 49 55 Cl 0.00000000000000 0.25648150658145 0.08333333333333 35.453 > 55 56 Cl 0.50000000000000 0.25648150658145 0.08333333333333 35.453 > 55 57 Cl 0.00000000000000 0.25648150658145 0.41666666666667 35.453 > 55 58 Cl 0.50000000000000 0.25648150658145 0.41666666666667 35.453 > 55 59 Cl 0.00000000000000 0.25648150658145 0.75000000000000 35.453 > 55 60 Cl 0.50000000000000 0.25648150658145 0.75000000000000 35.453 > 55 61 Cl 0.00000000000000 0.74351849341855 0.25000000000000 35.453 > 49 62 Cl 0.50000000000000 0.74351849341855 0.25000000000000 35.453 > 49 63 Cl 0.00000000000000 0.74351849341855 0.58333333333333 35.453 > 49 64 Cl 0.50000000000000 0.74351849341855 0.58333333333333 35.453 > 49 65 Cl 0.00000000000000 0.74351849341855 0.91666666666667 35.453 > 49 66 Cl 0.50000000000000 0.74351849341855 0.91666666666667 35.453 > 49 67 Cl 0.25000000000000 0.75648150658145 0.08333333333333 35.453 > 55 68 Cl 0.75000000000000 0.75648150658145 0.08333333333333 35.453 > 55 69 Cl 0.25000000000000 0.75648150658145 0.41666666666667 35.453 > 55 70 Cl 0.75000000000000 0.75648150658145 0.41666666666667 35.453 > 55 71 Cl 0.25000000000000 0.75648150658145 0.75000000000000 35.453 > 55 72 Cl 0.75000000000000 0.75648150658145 0.75000000000000 35.453 > 55 73 Sb 0.25000000000000 0.41823284282235 0.08333333333333 121.760 > 73 74 Sb 0.75000000000000 0.41823284282235 0.08333333333333 121.760 > 73 75 Sb 0.25000000000000 0.41823284282235 0.41666666666667 121.760 > 73 76 Sb 0.75000000000000 0.41823284282235 0.41666666666667 121.760 > 73 77 Sb 0.25000000000000 0.41823284282235 0.75000000000000 121.760 > 73 78 Sb 0.75000000000000 0.41823284282235 0.75000000000000 121.760 > 73 79 Sb 0.00000000000000 0.08176715717765 0.25000000000000 121.760 > 79 80 Sb 0.50000000000000 0.08176715717765 0.25000000000000 121.760 > 79 81 Sb 0.00000000000000 0.08176715717765 0.58333333333333 121.760 > 79 82 Sb 0.50000000000000 0.08176715717765 0.58333333333333 121.760 > 79 83 Sb 0.00000000000000 0.08176715717765 0.91666666666667 121.760 > 79 84 Sb 0.50000000000000 0.08176715717765 0.91666666666667 121.760 > 79 85 Sb 0.00000000000000 0.91823284282234 0.08333333333333 121.760 > 73 86 Sb 0.50000000000000 0.91823284282234 0.08333333333333 121.760 > 73 87 Sb 0.00000000000000 0.91823284282234 0.41666666666667 121.760 > 73 88 Sb 0.50000000000000 0.91823284282234 0.41666666666667 121.760 > 73 89 Sb 0.00000000000000 0.91823284282234 0.75000000000000 121.760 > 73 90 Sb 0.50000000000000 0.91823284282234 0.75000000000000 121.760 > 73 91 Sb 0.25000000000000 0.58176715717766 0.25000000000000 121.760 > 79 92 Sb 0.75000000000000 0.58176715717766 0.25000000000000 121.760 > 79 93 Sb 0.25000000000000 0.58176715717766 0.58333333333333 121.760 > 79 94 Sb 0.75000000000000 0.58176715717766 0.58333333333333 121.760 > 79 95 Sb 0.25000000000000 0.58176715717766 0.91666666666667 121.760 > 79 96 Sb 0.75000000000000 0.58176715717766 0.91666666666667 121.760 > 79 97 Pb 0.25000000000000 0.11961951091095 0.08333333333333 207.200 > 97 98 Pb 0.75000000000000 0.11961951091095 0.08333333333333 207.200 > 97 99 Pb 0.25000000000000 0.11961951091095 0.41666666666667 207.200 > 97 100 Pb 0.75000000000000 0.11961951091095 0.41666666666667 207.200 > 97 101 Pb 0.25000000000000 0.11961951091095 0.75000000000000 207.200 > 97 102 Pb 0.75000000000000 0.11961951091095 0.75000000000000 207.200 > 97 103 Pb 0.00000000000000 0.38038048908905 0.25000000000000 207.200 > 103 104 Pb 0.50000000000000 0.38038048908905 0.25000000000000 207.200 > 103 105 Pb 0.00000000000000 0.38038048908905 0.58333333333333 207.200 > 103 106 Pb 0.50000000000000 0.38038048908905 0.58333333333333 207.200 > 103 107 Pb 0.00000000000000 0.38038048908905 0.91666666666667 207.200 > 103 108 Pb 0.50000000000000 0.38038048908905 0.91666666666667 207.200 > 103 109 Pb 0.00000000000000 0.61961951091095 0.08333333333333 207.200 > 97 110 Pb 0.50000000000000 0.61961951091095 0.08333333333333 207.200 > 97 111 Pb 0.00000000000000 0.61961951091095 0.41666666666667 207.200 > 97 112 Pb 0.50000000000000 0.61961951091095 0.41666666666667 207.200 > 97 113 Pb 0.00000000000000 0.61961951091095 0.75000000000000 207.200 > 97 114 Pb 0.50000000000000 0.61961951091095 0.75000000000000 207.200 > 97 115 Pb 0.25000000000000 0.88038048908905 0.25000000000000 207.200 > 103 116 Pb 0.75000000000000 0.88038048908905 0.25000000000000 207.200 > 103 117 Pb 0.25000000000000 0.88038048908905 0.58333333333333 207.200 > 103 118 Pb 0.75000000000000 0.88038048908905 0.58333333333333 207.200 > 103 119 Pb 0.25000000000000 0.88038048908905 0.91666666666667 207.200 > 103 120 Pb 0.75000000000000 0.88038048908905 0.91666666666667 207.200 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.9782911 0.0000000 0.0000000 0.0000000 5.7696873 0.0000000 0.0000000 0.0000000 6.2429747 -------------------------- Born effective charges -------------------------- 1 O -2.8154475 0.0000000 0.0000000 0.0000000 -2.2910126 -0.1880737 0.0000000 -0.5939112 -3.0776027 2 O -2.8154475 0.0000000 0.0000000 0.0000000 -2.2910126 0.1880737 0.0000000 0.5939112 -3.0776027 3 O -2.8154475 0.0000000 0.0000000 0.0000000 -2.2910126 -0.1880737 0.0000000 -0.5939112 -3.0776027 4 O -2.8154475 0.0000000 0.0000000 0.0000000 -2.2910126 0.1880737 0.0000000 0.5939112 -3.0776027 5 Cl -1.9515318 0.0000000 0.0000000 0.0000000 -1.7499528 0.0000000 0.0000000 0.0000000 -2.1577362 6 Cl -1.9515318 0.0000000 0.0000000 0.0000000 -1.7499528 0.0000000 0.0000000 0.0000000 -2.1577362 7 Sb 3.7364542 0.0000000 0.0000000 0.0000000 2.8954609 0.0000000 0.0000000 0.0000000 4.7266262 8 Sb 3.7364542 0.0000000 0.0000000 0.0000000 2.8954609 0.0000000 0.0000000 0.0000000 4.7266262 9 Pb 3.8459725 0.0000000 0.0000000 0.0000000 3.4365171 0.0000000 0.0000000 0.0000000 3.5863154 10 Pb 3.8459725 0.0000000 0.0000000 0.0000000 3.4365171 0.0000000 0.0000000 0.0000000 3.5863154 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000003 (yyy) -0.00000003 (yyy) -0.00000003 (yyy) 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 ... [ 10 10 9 ] 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: 0.73, Number of G-points: 291, Lambda: 0.19 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/155) ======================= 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 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.891 ( 0.000 0.000 0.000) 0.000 2.052 ( 0.000 0.000 0.000) 0.000 2.320 ( 0.000 0.000 0.000) 0.000 2.481 ( 0.000 0.000 0.000) 0.000 2.542 ( 0.000 0.000 0.000) 0.000 2.788 ( 0.000 0.000 0.000) 0.000 3.046 ( 0.000 0.000 0.000) 0.000 3.332 ( 0.000 0.000 0.000) 0.000 3.488 ( 0.000 0.000 0.000) 0.000 3.590 ( 0.000 0.000 0.000) 0.000 3.664 ( 0.000 0.000 0.000) 0.000 4.025 ( 0.000 0.000 0.000) 0.000 4.124 ( 0.000 0.000 0.000) 0.000 5.176 ( 0.000 0.000 0.000) 0.000 6.366 ( 0.000 0.000 0.000) 0.000 6.584 ( 0.000 0.000 0.000) 0.000 6.666 ( 0.000 0.000 0.000) 0.000 7.673 ( 0.000 0.000 0.000) 0.000 8.899 ( 0.000 0.000 0.000) 0.000 10.073 ( 0.000 0.000 0.000) 0.000 10.842 ( 0.000 0.000 0.000) 0.000 11.874 ( 0.000 0.000 0.000) 0.000 12.467 ( 0.000 0.000 0.000) 0.000 13.830 ( 0.000 0.000 0.000) 0.000 14.640 ( 0.000 0.000 0.000) 0.000 15.928 ( 0.000 0.000 0.000) 0.000 16.967 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/155) ======================= q-point: ( 0.10 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 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.309 ( 12.665 -9.483 0.000) 15.822 0.365 ( 15.294 -9.353 0.000) 17.927 0.747 ( 36.960 -7.257 0.000) 37.666 1.901 ( 0.451 -1.078 0.000) 1.168 2.075 ( 2.611 0.194 0.000) 2.618 2.294 ( -3.122 -0.397 0.000) 3.147 2.481 ( -1.631 1.825 0.000) 2.448 2.607 ( -0.625 -12.285 0.000) 12.301 3.022 ( -2.887 0.316 0.000) 2.904 3.286 ( -4.741 0.223 0.000) 4.746 3.485 ( 0.642 0.336 0.000) 0.725 3.543 ( -5.316 0.111 0.000) 5.317 3.690 ( 4.779 2.128 0.000) 5.232 3.891 ( -2.872 -2.243 0.000) 3.644 3.999 ( -2.094 1.672 0.000) 2.680 4.734 ( -0.083 6.828 0.000) 6.829 5.080 ( -8.937 -0.371 0.000) 8.945 6.352 ( -1.358 0.382 0.000) 1.411 6.649 ( -1.568 0.281 0.000) 1.593 6.725 ( 13.654 -0.533 0.000) 13.664 7.792 ( 13.366 0.283 0.000) 13.369 9.033 ( 14.453 0.001 0.000) 14.453 10.056 ( -1.897 -0.148 0.000) 1.903 11.732 ( 3.205 14.531 0.000) 14.880 12.471 ( 0.428 -0.014 0.000) 0.429 13.862 ( 3.537 0.262 0.000) 3.547 14.078 ( 25.930 61.053 0.000) 66.331 14.615 ( -2.765 0.061 0.000) 2.765 15.920 ( -1.322 -1.001 0.000) 1.658 17.122 ( -16.811 -29.085 0.000) 33.594 ======================= Grid point 2 (3/155) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.607 ( 11.892 -9.157 0.000) 15.009 0.693 ( 13.212 -8.155 0.000) 15.526 1.413 ( 31.275 -3.988 0.000) 31.529 1.913 ( -1.069 -2.271 0.000) 2.510 2.137 ( 4.356 0.317 0.000) 4.368 2.215 ( -6.100 -0.549 0.000) 6.125 2.438 ( -0.540 3.410 0.000) 3.452 2.713 ( 1.903 -10.081 0.000) 10.259 2.933 ( -6.266 0.536 0.000) 6.289 3.177 ( -6.680 -0.162 0.000) 6.682 3.396 ( -10.446 0.936 0.000) 10.488 3.517 ( 2.525 -0.719 0.000) 2.625 3.750 ( 3.089 2.879 0.000) 4.222 3.867 ( 0.566 0.542 0.000) 0.784 3.929 ( -3.027 3.380 0.000) 4.537 4.648 ( -4.063 4.756 0.000) 6.256 4.934 ( -7.222 -1.977 0.000) 7.488 6.315 ( -2.123 0.607 0.000) 2.208 6.606 ( -2.758 0.170 0.000) 2.763 7.016 ( 16.908 -0.275 0.000) 16.910 8.138 ( 25.054 0.195 0.000) 25.055 9.380 ( 23.054 0.085 0.000) 23.055 10.012 ( -2.981 -0.261 0.000) 2.992 11.626 ( -10.951 -4.809 0.000) 11.960 12.481 ( 0.632 -0.033 0.000) 0.633 13.945 ( 5.676 0.261 0.000) 5.682 14.026 ( 12.789 34.397 0.000) 36.698 14.543 ( -5.049 0.088 0.000) 5.050 15.899 ( -2.119 -1.609 0.000) 2.660 17.037 ( -10.320 -9.472 0.000) 14.008 ======================= Grid point 3 (4/155) ======================= q-point: ( 0.30 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 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( 10.737 -8.380 0.000) 13.620 0.975 ( 11.545 -6.781 0.000) 13.389 1.831 ( 2.483 0.802 0.000) 2.610 1.937 ( 11.964 -0.670 0.000) 11.983 2.079 ( -8.770 0.232 0.000) 8.773 2.221 ( 4.618 0.148 0.000) 4.620 2.421 ( 1.126 0.588 0.000) 1.271 2.786 ( -5.140 -1.261 0.000) 5.292 2.852 ( 1.325 -5.452 0.000) 5.611 3.084 ( -3.461 -1.277 0.000) 3.689 3.175 ( -11.703 2.281 0.000) 11.923 3.576 ( 2.364 -2.442 0.000) 3.399 3.745 ( 1.277 5.626 0.000) 5.769 3.852 ( -2.169 3.233 0.000) 3.893 3.914 ( 3.766 -0.711 0.000) 3.833 4.512 ( -6.972 4.122 0.000) 8.100 4.865 ( -3.070 -2.865 0.000) 4.199 6.272 ( -2.028 0.592 0.000) 2.113 6.554 ( -2.762 0.140 0.000) 2.766 7.297 ( 13.668 -0.068 0.000) 13.668 8.656 ( 31.845 0.262 0.000) 31.846 9.803 ( 22.636 0.262 0.000) 22.637 9.962 ( -2.451 -0.377 0.000) 2.480 11.411 ( -20.090 -10.335 0.000) 22.592 12.492 ( 0.559 -0.044 0.000) 0.561 13.976 ( 8.585 23.188 0.000) 24.726 14.049 ( 5.427 -0.569 0.000) 5.456 14.441 ( -5.955 0.073 0.000) 5.955 15.874 ( -2.088 -1.634 0.000) 2.651 16.921 ( -7.731 -2.258 0.000) 8.054 ======================= Grid point 4 (5/155) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( 8.434 -6.245 0.000) 10.495 1.227 ( 11.184 -5.660 0.000) 12.535 1.703 ( -9.973 2.473 0.000) 10.276 1.907 ( -8.795 1.449 0.000) 8.914 2.118 ( 6.043 3.190 0.000) 6.833 2.291 ( 2.993 0.082 0.000) 2.994 2.475 ( 3.252 -2.057 0.000) 3.848 2.686 ( -4.548 0.272 0.000) 4.556 2.938 ( 2.148 -3.622 0.000) 4.211 2.981 ( -7.178 1.992 0.000) 7.449 3.080 ( 0.950 -1.257 0.000) 1.576 3.638 ( 1.055 -4.452 0.000) 4.575 3.727 ( 2.244 5.658 0.000) 6.087 3.803 ( -0.994 1.755 0.000) 2.017 4.000 ( 5.055 -1.329 0.000) 5.227 4.337 ( -8.620 3.603 0.000) 9.342 4.854 ( -0.855 -1.967 0.000) 2.144 6.238 ( -1.204 0.359 0.000) 1.257 6.511 ( -1.723 0.081 0.000) 1.725 7.489 ( 7.452 0.017 0.000) 7.452 9.210 ( 28.018 0.880 0.000) 28.032 9.916 ( -1.569 -0.087 0.000) 1.571 10.155 ( 14.321 0.043 0.000) 14.321 11.102 ( -21.318 -8.114 0.000) 22.810 12.501 ( 0.311 -0.033 0.000) 0.312 13.951 ( 4.783 11.956 0.000) 12.878 14.136 ( 3.381 -0.567 0.000) 3.428 14.345 ( -4.278 0.035 0.000) 4.279 15.855 ( -1.258 -1.054 0.000) 1.641 16.815 ( -4.508 0.199 0.000) 4.512 ======================= Grid point 5 (6/155) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( 0.000 -0.000 0.000) 0.000 1.454 ( 0.000 -0.000 0.000) 0.000 1.495 ( -0.000 0.000 0.000) 0.000 1.803 ( 0.000 -0.000 0.000) 0.000 2.150 ( 0.000 -0.000 0.000) 0.000 2.319 ( 0.000 -0.000 0.000) 0.000 2.523 ( 0.000 -0.000 0.000) 0.000 2.638 ( 0.000 0.000 0.000) 0.000 2.906 ( 0.000 -0.000 0.000) 0.000 2.975 ( 0.000 -0.000 0.000) 0.000 3.099 ( 0.000 -0.000 0.000) 0.000 3.667 ( 0.000 -0.000 0.000) 0.000 3.729 ( 0.000 -0.000 0.000) 0.000 3.787 ( 0.000 0.000 0.000) 0.000 4.098 ( 0.000 -0.000 0.000) 0.000 4.192 ( -0.000 0.000 0.000) 0.000 4.856 ( 0.000 -0.000 0.000) 0.000 6.225 ( 0.000 -0.000 0.000) 0.000 6.495 ( 0.000 -0.000 0.000) 0.000 7.556 ( 0.000 -0.000 0.000) 0.000 9.498 ( 0.000 -0.000 0.000) 0.000 9.901 ( 0.000 -0.000 0.000) 0.000 10.289 ( -0.000 -0.000 0.000) 0.000 10.906 ( -0.000 -0.000 0.000) 0.000 12.504 ( 0.000 -0.000 0.000) 0.000 13.945 ( 0.000 -0.000 0.000) 0.000 14.170 ( 0.000 -0.000 0.000) 0.000 14.304 ( 0.000 -0.000 0.000) 0.000 15.848 ( 0.000 -0.000 0.000) 0.000 16.772 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 12 (7/155) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.522 ( 13.815 -0.000 0.000) 13.815 0.622 ( 15.770 -0.000 0.000) 15.770 1.377 ( 34.162 -0.000 0.000) 34.162 1.892 ( -1.062 0.000 0.000) 1.062 2.140 ( 4.403 -0.000 0.000) 4.403 2.210 ( -6.028 0.000 0.000) 6.028 2.506 ( -2.220 0.000 0.000) 2.220 2.585 ( 6.052 -0.000 0.000) 6.052 2.939 ( -6.323 0.000 0.000) 6.323 3.176 ( -6.979 0.000 0.000) 6.979 3.404 ( -9.971 0.000 0.000) 9.971 3.512 ( 2.085 -0.000 0.000) 2.085 3.776 ( 4.646 -0.000 0.000) 4.646 3.870 ( -0.587 0.000 0.000) 0.587 3.958 ( -3.175 0.000 0.000) 3.175 4.692 ( -5.501 0.000 0.000) 5.501 4.917 ( -7.677 0.000 0.000) 7.677 6.321 ( -2.162 0.000 0.000) 2.162 6.608 ( -2.806 0.000 0.000) 2.806 7.014 ( 17.079 -0.000 0.000) 17.079 8.139 ( 24.877 -0.000 0.000) 24.877 9.381 ( 23.098 -0.000 0.000) 23.098 10.010 ( -2.973 0.000 0.000) 2.973 11.583 ( -15.204 0.000 0.000) 15.204 12.481 ( 0.630 -0.000 0.000) 0.630 13.944 ( 5.300 -0.000 0.000) 5.300 14.372 ( -2.966 0.000 0.000) 2.966 14.544 ( -5.065 0.000 0.000) 5.065 15.906 ( -0.830 0.000 0.000) 0.830 16.917 ( -2.674 0.000 0.000) 2.674 ======================= Grid point 13 (8/155) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( 12.468 -3.761 0.000) 13.023 0.897 ( 13.619 -2.451 0.000) 13.837 1.844 ( -1.972 0.737 0.000) 2.105 1.916 ( 21.532 -1.275 0.000) 21.570 2.081 ( -8.265 0.010 0.000) 8.265 2.223 ( 4.597 0.051 0.000) 4.598 2.447 ( -2.188 1.756 0.000) 2.806 2.723 ( 4.569 -3.752 0.000) 5.912 2.824 ( -4.283 0.131 0.000) 4.285 3.069 ( -4.061 -0.480 0.000) 4.090 3.204 ( -11.271 0.961 0.000) 11.312 3.548 ( 1.333 -0.838 0.000) 1.575 3.828 ( 2.033 4.370 0.000) 4.820 3.887 ( 2.520 -2.610 0.000) 3.628 3.892 ( -3.323 1.361 0.000) 3.591 4.562 ( -8.062 1.665 0.000) 8.232 4.829 ( -2.705 -1.223 0.000) 2.968 6.280 ( -2.154 0.302 0.000) 2.175 6.555 ( -2.815 0.052 0.000) 2.816 7.296 ( 13.779 -0.028 0.000) 13.779 8.656 ( 31.821 -0.073 0.000) 31.821 9.807 ( 23.016 0.139 0.000) 23.016 9.957 ( -2.759 -0.180 0.000) 2.765 11.288 ( -19.050 -3.997 0.000) 19.464 12.492 ( 0.565 -0.017 0.000) 0.565 14.041 ( 5.221 -0.292 0.000) 5.230 14.253 ( -4.335 8.924 0.000) 9.921 14.442 ( -5.987 0.028 0.000) 5.987 15.888 ( -0.028 1.909 0.000) 1.909 16.873 ( -4.203 -2.468 0.000) 4.874 ======================= Grid point 14 (9/155) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( 11.002 -4.802 0.000) 12.004 1.152 ( 12.470 -3.256 0.000) 12.888 1.734 ( -8.120 1.275 0.000) 8.219 1.924 ( -8.556 0.560 0.000) 8.574 2.166 ( 4.950 2.277 0.000) 5.448 2.293 ( 2.926 0.052 0.000) 2.926 2.446 ( 3.084 -1.339 0.000) 3.362 2.689 ( -4.296 -0.031 0.000) 4.296 2.899 ( 6.178 -1.171 0.000) 6.288 3.015 ( -7.744 1.839 0.000) 7.960 3.061 ( 2.032 -0.975 0.000) 2.254 3.571 ( -0.533 -3.079 0.000) 3.125 3.820 ( 2.073 5.137 0.000) 5.540 3.827 ( -2.619 1.076 0.000) 2.832 3.968 ( 3.825 -2.521 0.000) 4.581 4.385 ( -9.650 2.066 0.000) 9.868 4.825 ( 0.529 -1.360 0.000) 1.459 6.244 ( -1.396 0.354 0.000) 1.440 6.512 ( -1.790 0.045 0.000) 1.791 7.489 ( 7.468 0.010 0.000) 7.468 9.214 ( 27.473 -0.205 0.000) 27.474 9.915 ( -1.555 0.019 0.000) 1.555 10.155 ( 14.361 -0.039 0.000) 14.361 10.995 ( -15.805 -4.460 0.000) 16.422 12.500 ( 0.332 -0.020 0.000) 0.333 14.090 ( -7.396 4.872 0.000) 8.856 14.125 ( 3.407 -0.618 0.000) 3.462 14.345 ( -4.311 0.021 0.000) 4.311 15.879 ( 1.401 3.062 0.000) 3.367 16.811 ( -3.697 -0.623 0.000) 3.749 ======================= Grid point 15 (10/155) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( 5.984 -2.020 0.000) 6.316 1.402 ( 12.280 -3.487 0.000) 12.765 1.548 ( -9.730 3.591 0.000) 10.371 1.803 ( -2.746 0.032 0.000) 2.746 2.149 ( -3.349 -0.054 0.000) 3.350 2.319 ( -0.062 0.009 0.000) 0.063 2.519 ( 2.534 -0.340 0.000) 2.556 2.640 ( -0.618 0.145 0.000) 0.635 2.918 ( -1.226 1.285 0.000) 1.776 2.991 ( 4.172 1.772 0.000) 4.533 3.105 ( 1.566 0.734 0.000) 1.730 3.585 ( -2.033 -5.973 0.000) 6.310 3.784 ( -1.682 -0.239 0.000) 1.699 3.810 ( 1.243 6.025 0.000) 6.152 4.066 ( 3.234 -3.305 0.000) 4.624 4.208 ( -6.481 1.331 0.000) 6.616 4.855 ( 1.803 -0.104 0.000) 1.806 6.227 ( -0.224 0.189 0.000) 0.293 6.495 ( -0.080 -0.010 0.000) 0.080 7.556 ( -0.032 0.001 0.000) 0.032 9.482 ( -2.656 -1.707 0.000) 3.158 9.902 ( 0.153 0.083 0.000) 0.174 10.288 ( -0.115 -0.070 0.000) 0.134 10.921 ( 9.514 1.551 0.000) 9.639 12.504 ( 0.033 0.000 0.000) 0.033 13.908 ( -12.372 -3.774 0.000) 12.935 14.165 ( 0.245 -0.595 0.000) 0.643 14.304 ( -0.028 -0.000 0.000) 0.028 15.889 ( 3.040 4.226 0.000) 5.206 16.771 ( -0.575 -0.114 0.000) 0.586 ======================= Grid point 16 (11/155) ======================= q-point: (-0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( -4.951 4.569 0.000) 6.736 1.330 ( -9.094 6.388 0.000) 11.114 1.656 ( 11.911 -2.997 0.000) 12.282 1.876 ( 8.801 -2.173 0.000) 9.065 2.065 ( -7.903 -3.100 0.000) 8.489 2.290 ( -3.091 -0.078 0.000) 3.092 2.512 ( -1.938 2.421 0.000) 3.101 2.681 ( 4.495 -0.495 0.000) 4.523 2.958 ( 6.077 -0.580 0.000) 6.105 3.014 ( 1.685 5.321 0.000) 5.582 3.104 ( 0.035 1.646 0.000) 1.647 3.601 ( -2.051 -7.148 0.000) 7.436 3.744 ( -2.985 5.789 0.000) 6.513 3.772 ( -0.673 -1.873 0.000) 1.990 4.012 ( -6.221 0.047 0.000) 6.221 4.272 ( 7.326 -4.100 0.000) 8.395 4.886 ( 2.363 1.728 0.000) 2.928 6.234 ( 0.993 -0.119 0.000) 1.000 6.510 ( 1.641 -0.093 0.000) 1.643 7.489 ( -7.436 -0.019 0.000) 7.436 9.185 ( -27.776 -2.003 0.000) 27.848 9.918 ( 1.706 0.236 0.000) 1.722 10.153 ( -14.394 -0.178 0.000) 14.395 11.250 ( 27.416 9.299 0.000) 28.950 12.501 ( -0.284 0.033 0.000) 0.286 13.715 ( -17.791 -15.379 0.000) 23.516 14.140 ( -3.285 -0.131 0.000) 3.287 14.344 ( 4.238 -0.035 0.000) 4.238 15.915 ( 4.337 5.551 0.000) 7.044 16.806 ( 4.309 -0.744 0.000) 4.373 ======================= Grid point 17 (12/155) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( -8.678 8.384 0.000) 12.066 1.112 ( -8.219 9.401 0.000) 12.488 1.816 ( -4.280 -1.112 0.000) 4.422 1.927 ( -3.559 -1.912 0.000) 4.040 2.071 ( 9.900 -0.819 0.000) 9.934 2.218 ( -4.714 -0.228 0.000) 4.719 2.439 ( -2.698 2.785 0.000) 3.878 2.787 ( 6.422 -0.577 0.000) 6.448 2.968 ( -0.581 7.482 0.000) 7.505 3.111 ( 3.121 1.936 0.000) 3.672 3.137 ( 11.939 -2.117 0.000) 12.125 3.618 ( -2.833 0.102 0.000) 2.835 3.653 ( -1.552 -2.940 0.000) 3.325 3.793 ( 0.616 -3.612 0.000) 3.664 3.913 ( -5.217 -0.654 0.000) 5.258 4.434 ( 6.033 -4.976 0.000) 7.821 4.916 ( 3.518 3.045 0.000) 4.653 6.263 ( 1.914 -0.427 0.000) 1.961 6.551 ( 2.683 -0.180 0.000) 2.689 7.298 ( -13.493 0.077 0.000) 13.493 8.646 ( -31.573 -0.930 0.000) 31.586 9.800 ( -22.459 -0.154 0.000) 22.460 9.968 ( 2.389 0.307 0.000) 2.409 11.613 ( 21.164 13.512 0.000) 25.110 12.493 ( -0.551 0.055 0.000) 0.554 13.543 ( -20.698 -27.453 0.000) 34.381 14.057 ( -5.575 0.262 0.000) 5.581 14.440 ( 5.903 -0.090 0.000) 5.903 15.948 ( 4.952 6.670 0.000) 8.307 16.935 ( 9.288 -0.414 0.000) 9.298 ======================= Grid point 18 (13/155) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( -9.115 11.211 0.000) 14.449 0.869 ( -9.186 12.348 0.000) 15.390 1.489 ( -23.954 4.420 0.000) 24.358 1.956 ( 0.722 2.603 0.000) 2.701 2.131 ( -4.400 -0.448 0.000) 4.423 2.226 ( 6.540 0.665 0.000) 6.574 2.416 ( 2.179 0.628 0.000) 2.268 2.866 ( 0.306 7.238 0.000) 7.244 2.928 ( 5.012 0.453 0.000) 5.032 3.183 ( 5.563 0.669 0.000) 5.603 3.376 ( 11.687 -1.376 0.000) 11.768 3.536 ( -3.596 1.413 0.000) 3.864 3.692 ( -0.632 -3.638 0.000) 3.692 3.848 ( -1.765 -1.849 0.000) 2.556 3.856 ( 2.408 -5.014 0.000) 5.562 4.558 ( 2.670 -5.597 0.000) 6.201 4.975 ( 6.178 2.756 0.000) 6.765 6.305 ( 2.211 -0.541 0.000) 2.276 6.602 ( 2.661 -0.259 0.000) 2.673 7.022 ( -16.486 0.419 0.000) 16.491 8.131 ( -25.451 -0.679 0.000) 25.460 9.378 ( -22.957 -0.116 0.000) 22.957 10.018 ( 3.017 0.407 0.000) 3.044 11.724 ( -0.564 6.457 0.000) 6.482 12.482 ( -0.637 0.053 0.000) 0.639 13.439 ( -18.887 -32.221 0.000) 37.349 13.951 ( -5.631 0.241 0.000) 5.636 14.541 ( 5.007 -0.143 0.000) 5.009 15.978 ( 4.626 7.186 0.000) 8.546 17.136 ( 13.939 2.279 0.000) 14.124 ======================= Grid point 19 (14/155) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.526 ( -7.436 14.486 0.000) 16.283 0.571 ( -12.336 13.256 0.000) 18.108 0.959 ( -23.471 16.816 0.000) 28.873 1.919 ( -1.966 1.048 0.000) 2.228 2.069 ( -2.674 -0.516 0.000) 2.724 2.306 ( 3.239 1.018 0.000) 3.395 2.486 ( 6.027 1.685 0.000) 6.258 2.793 ( 0.819 8.486 0.000) 8.525 3.024 ( 4.782 0.827 0.000) 4.853 3.271 ( 3.011 -1.601 0.000) 3.410 3.482 ( -1.434 0.009 0.000) 1.434 3.540 ( 5.698 -0.161 0.000) 5.701 3.641 ( -7.182 -3.507 0.000) 7.992 3.925 ( 9.176 1.188 0.000) 9.252 3.947 ( 2.618 -4.384 0.000) 5.106 4.608 ( -3.544 -6.512 0.000) 7.414 5.091 ( 7.666 0.874 0.000) 7.715 6.345 ( 1.730 -0.317 0.000) 1.759 6.642 ( 0.889 -0.445 0.000) 0.994 6.740 ( -12.563 1.094 0.000) 12.611 7.781 ( -13.804 -1.018 0.000) 13.842 9.033 ( -14.389 -0.001 0.000) 14.389 10.060 ( 1.912 0.388 0.000) 1.951 11.451 ( -35.225 -14.331 0.000) 38.028 12.471 ( -0.433 0.037 0.000) 0.435 13.358 ( -17.350 -22.778 0.000) 28.633 13.864 ( -3.649 0.026 0.000) 3.649 14.613 ( 2.747 -0.159 0.000) 2.751 15.990 ( 3.113 6.761 0.000) 7.444 17.399 ( 19.231 5.124 0.000) 19.902 ======================= Grid point 20 (15/155) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.262 ( 0.000 15.209 0.000) 15.209 0.309 ( 0.000 18.006 0.000) 18.006 0.502 ( 0.000 29.798 0.000) 29.798 1.892 ( 0.000 0.161 0.000) 0.161 2.048 ( -0.000 -0.409 0.000) 0.409 2.327 ( 0.000 0.808 0.000) 0.808 2.554 ( 0.000 1.383 0.000) 1.383 2.799 ( 0.000 1.333 0.000) 1.333 3.071 ( 0.000 2.921 0.000) 2.921 3.304 ( -0.000 -3.130 0.000) 3.130 3.486 ( -0.000 -0.301 0.000) 0.301 3.550 ( -0.000 -1.589 0.000) 1.589 3.590 ( -0.000 -0.017 0.000) 0.017 4.001 ( -0.000 -2.765 0.000) 2.765 4.112 ( -0.000 -1.440 0.000) 1.440 4.512 ( -0.000 -0.359 0.000) 0.359 5.174 ( -0.000 -0.172 0.000) 0.172 6.365 ( -0.000 -0.067 0.000) 0.067 6.588 ( 0.000 0.539 0.000) 0.539 6.669 ( 0.000 0.244 0.000) 0.244 7.665 ( -0.000 -0.956 0.000) 0.956 8.899 ( 0.000 0.037 0.000) 0.037 10.075 ( 0.000 0.291 0.000) 0.291 10.844 ( 0.000 0.177 0.000) 0.177 12.467 ( 0.000 0.024 0.000) 0.024 13.214 ( -0.000 -0.761 0.000) 0.761 13.830 ( -0.000 -0.044 0.000) 0.044 14.639 ( -0.000 -0.126 0.000) 0.126 15.971 ( 0.000 5.058 0.000) 5.058 17.671 ( -0.000 -3.878 0.000) 3.878 ======================= Grid point 23 (16/155) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( 12.003 -0.000 0.000) 12.003 1.124 ( 12.882 -0.000 0.000) 12.882 1.745 ( -7.366 0.000 0.000) 7.366 1.928 ( -8.443 0.000 0.000) 8.443 2.186 ( 4.761 -0.000 0.000) 4.761 2.293 ( 2.903 -0.000 0.000) 2.903 2.435 ( 2.552 -0.000 0.000) 2.552 2.687 ( -3.903 0.000 0.000) 3.903 2.892 ( 7.898 -0.000 0.000) 7.898 3.032 ( -7.868 0.000 0.000) 7.868 3.052 ( 2.447 -0.000 0.000) 2.447 3.544 ( -1.410 0.000 0.000) 1.410 3.836 ( -3.330 0.000 0.000) 3.330 3.878 ( 2.035 -0.000 0.000) 2.035 3.932 ( 3.385 -0.000 0.000) 3.385 4.403 ( -10.072 0.000 0.000) 10.072 4.813 ( 1.110 -0.000 0.000) 1.110 6.248 ( -1.480 0.000 0.000) 1.480 6.513 ( -1.816 0.000 0.000) 1.816 7.489 ( 7.475 -0.000 0.000) 7.475 9.211 ( 27.083 -0.000 0.000) 27.083 9.916 ( -1.572 0.000 0.000) 1.572 10.155 ( 14.399 -0.000 0.000) 14.399 10.958 ( -13.465 0.000 0.000) 13.465 12.500 ( 0.341 -0.000 0.000) 0.341 14.119 ( 3.360 -0.000 0.000) 3.360 14.127 ( -12.117 0.000 0.000) 12.117 14.345 ( -4.324 0.000 0.000) 4.324 15.913 ( 1.818 -0.000 0.000) 1.818 16.803 ( -2.924 0.000 0.000) 2.924 ======================= Grid point 24 (17/155) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( 9.442 -1.245 0.000) 9.523 1.360 ( 12.962 -1.375 0.000) 13.035 1.592 ( -8.680 1.447 0.000) 8.800 1.804 ( -4.159 0.017 0.000) 4.159 2.148 ( -5.656 -0.042 0.000) 5.656 2.319 ( -0.099 0.006 0.000) 0.099 2.515 ( 4.420 -0.109 0.000) 4.422 2.641 ( -1.160 -0.057 0.000) 1.161 2.938 ( -1.921 0.782 0.000) 2.074 3.020 ( 6.373 1.212 0.000) 6.487 3.119 ( 3.781 0.672 0.000) 3.840 3.505 ( -3.876 -2.919 0.000) 4.852 3.781 ( -2.754 -0.153 0.000) 2.758 3.905 ( 2.295 5.217 0.000) 5.700 4.000 ( 2.306 -4.358 0.000) 4.930 4.225 ( -8.238 0.583 0.000) 8.258 4.853 ( 2.928 -0.064 0.000) 2.928 6.230 ( -0.369 0.118 0.000) 0.387 6.495 ( -0.129 -0.006 0.000) 0.129 7.556 ( -0.052 0.000 0.000) 0.052 9.456 ( -3.940 -1.038 0.000) 4.074 9.903 ( 0.249 0.051 0.000) 0.254 10.287 ( -0.187 -0.044 0.000) 0.192 10.945 ( 15.179 0.950 0.000) 15.209 12.504 ( 0.053 0.000 0.000) 0.053 13.851 ( -19.292 -2.204 0.000) 19.417 14.155 ( 0.321 -0.402 0.000) 0.514 14.304 ( -0.046 -0.000 0.000) 0.046 15.953 ( 3.900 2.559 0.000) 4.665 16.768 ( -0.714 -0.123 0.000) 0.725 ======================= Grid point 25 (18/155) ======================= q-point: (-0.60 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( -1.484 1.969 0.000) 2.466 1.425 ( -6.773 4.555 0.000) 8.163 1.612 ( 13.199 -2.080 0.000) 13.362 1.843 ( 8.273 -1.646 0.000) 8.435 2.020 ( -9.874 -2.224 0.000) 10.121 2.289 ( -3.180 -0.042 0.000) 3.180 2.557 ( 0.664 2.891 0.000) 2.966 2.663 ( 3.264 -1.772 0.000) 3.714 2.959 ( 4.978 0.413 0.000) 4.995 3.097 ( 4.666 3.368 0.000) 5.755 3.144 ( 1.159 4.202 0.000) 4.359 3.476 ( -3.451 -7.426 0.000) 8.188 3.745 ( -1.840 -1.272 0.000) 2.237 3.843 ( -4.185 5.784 0.000) 7.140 3.998 ( -5.801 -1.833 0.000) 6.083 4.211 ( 5.647 -2.880 0.000) 6.339 4.908 ( 3.470 0.968 0.000) 3.603 6.233 ( 0.827 0.040 0.000) 0.828 6.509 ( 1.575 -0.063 0.000) 1.576 7.488 ( -7.425 -0.012 0.000) 7.425 9.152 ( -26.934 -1.674 0.000) 26.986 9.923 ( 1.930 0.226 0.000) 1.944 10.150 ( -14.568 -0.183 0.000) 14.569 11.388 ( 32.572 6.574 0.000) 33.228 12.502 ( -0.263 0.021 0.000) 0.263 13.487 ( -27.001 -10.864 0.000) 29.104 14.134 ( -3.094 -0.481 0.000) 3.131 14.344 ( 4.206 -0.022 0.000) 4.206 16.008 ( 5.530 4.802 0.000) 7.324 16.795 ( 3.725 -0.552 0.000) 3.766 ======================= Grid point 26 (19/155) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( -6.961 5.652 0.000) 8.966 1.271 ( -4.458 9.278 0.000) 10.294 1.791 ( -8.378 -1.957 0.000) 8.604 1.882 ( 4.307 -3.111 0.000) 5.314 2.053 ( 11.485 -1.230 0.000) 11.551 2.214 ( -4.927 -0.221 0.000) 4.932 2.507 ( -1.676 5.181 0.000) 5.446 2.763 ( 5.335 -2.607 0.000) 5.938 3.091 ( -1.154 7.181 0.000) 7.273 3.111 ( 11.605 -0.900 0.000) 11.640 3.148 ( 3.722 2.642 0.000) 4.565 3.523 ( 1.847 -7.242 0.000) 7.474 3.698 ( -6.277 3.787 0.000) 7.331 3.739 ( -0.657 -2.830 0.000) 2.905 3.898 ( -6.441 -0.993 0.000) 6.517 4.355 ( 5.843 -4.318 0.000) 7.266 4.960 ( 3.865 2.171 0.000) 4.433 6.258 ( 1.834 -0.150 0.000) 1.840 6.548 ( 2.612 -0.152 0.000) 2.617 7.299 ( -13.327 0.056 0.000) 13.327 8.628 ( -30.964 -1.075 0.000) 30.982 9.798 ( -22.690 -0.003 0.000) 22.690 9.972 ( 2.731 0.136 0.000) 2.734 11.844 ( 23.480 13.971 0.000) 27.322 12.494 ( -0.543 0.044 0.000) 0.544 13.111 ( -28.347 -23.754 0.000) 36.984 14.057 ( -5.517 -0.211 0.000) 5.521 14.438 ( 5.851 -0.073 0.000) 5.851 16.066 ( 6.140 6.738 0.000) 9.116 16.918 ( 9.126 -1.305 0.000) 9.219 ======================= Grid point 27 (20/155) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( -7.219 8.916 0.000) 11.472 1.081 ( -7.705 12.705 0.000) 14.859 1.539 ( -15.129 1.336 0.000) 15.188 1.993 ( 1.817 1.712 0.000) 2.496 2.123 ( -4.633 -0.393 0.000) 4.649 2.234 ( 7.482 0.327 0.000) 7.489 2.459 ( 2.567 4.528 0.000) 5.205 2.891 ( 6.600 -2.159 0.000) 6.944 2.997 ( -3.001 5.522 0.000) 6.285 3.198 ( 3.629 1.042 0.000) 3.776 3.356 ( 13.175 -0.986 0.000) 13.212 3.558 ( -4.660 0.920 0.000) 4.750 3.645 ( 2.160 -1.523 0.000) 2.643 3.773 ( 1.262 -4.741 0.000) 4.906 3.808 ( -2.735 -2.918 0.000) 3.999 4.473 ( 2.953 -4.536 0.000) 5.412 5.019 ( 5.083 2.365 0.000) 5.607 6.299 ( 2.376 -0.248 0.000) 2.389 6.598 ( 2.591 -0.241 0.000) 2.603 7.029 ( -16.014 0.388 0.000) 16.018 8.117 ( -25.751 -0.886 0.000) 25.766 9.377 ( -22.869 -0.090 0.000) 22.869 10.025 ( 3.090 0.389 0.000) 3.115 11.828 ( -17.065 5.852 0.000) 18.041 12.483 ( -0.643 0.053 0.000) 0.645 12.996 ( -5.001 -21.296 0.000) 21.876 13.953 ( -5.782 0.002 0.000) 5.782 14.539 ( 4.956 -0.143 0.000) 4.958 16.110 ( 5.477 8.087 0.000) 9.767 17.134 ( 13.268 -1.706 0.000) 13.377 ======================= Grid point 28 (21/155) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.752 ( -5.099 12.357 0.000) 13.367 0.773 ( -14.686 10.808 0.000) 18.235 1.253 ( -8.336 17.360 0.000) 19.257 1.939 ( -3.654 1.476 0.000) 3.941 2.059 ( -2.805 -0.659 0.000) 2.881 2.325 ( 3.498 1.193 0.000) 3.696 2.527 ( 6.909 3.150 0.000) 7.593 2.893 ( -2.958 4.344 0.000) 5.255 3.038 ( 7.859 0.038 0.000) 7.859 3.246 ( 0.934 -0.955 0.000) 1.336 3.482 ( -2.724 -0.145 0.000) 2.728 3.540 ( 6.424 0.286 0.000) 6.431 3.580 ( -8.357 -3.580 0.000) 9.091 3.862 ( 3.101 -5.672 0.000) 6.464 3.927 ( 10.457 -0.844 0.000) 10.491 4.526 ( -1.141 -3.648 0.000) 3.822 5.106 ( 5.837 0.920 0.000) 5.910 6.342 ( 2.086 -0.115 0.000) 2.090 6.636 ( 0.863 -0.267 0.000) 0.903 6.758 ( -11.892 1.047 0.000) 11.938 7.760 ( -14.334 -1.358 0.000) 14.398 9.033 ( -14.292 0.003 0.000) 14.292 10.068 ( 1.943 0.478 0.000) 2.000 11.288 ( -38.233 -6.244 0.000) 38.740 12.472 ( -0.441 0.046 0.000) 0.444 13.135 ( 3.325 -7.814 0.000) 8.492 13.864 ( -3.790 -0.015 0.000) 3.790 14.610 ( 2.717 -0.197 0.000) 2.724 16.122 ( 3.377 8.562 0.000) 9.204 17.399 ( 13.126 -3.127 0.000) 13.493 ======================= Grid point 29 (22/155) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.494 ( 0.000 12.621 0.000) 12.621 0.586 ( 0.000 15.248 0.000) 15.248 0.976 ( 0.000 27.111 0.000) 27.111 1.896 ( 0.000 0.239 0.000) 0.239 2.039 ( -0.000 -0.691 0.000) 0.691 2.345 ( 0.000 1.301 0.000) 1.301 2.585 ( 0.000 2.333 0.000) 2.333 2.832 ( 0.000 2.640 0.000) 2.640 3.136 ( 0.000 4.644 0.000) 4.644 3.240 ( -0.000 -4.318 0.000) 4.318 3.478 ( -0.000 -0.636 0.000) 0.636 3.504 ( -0.000 -4.121 0.000) 4.121 3.591 ( 0.000 0.268 0.000) 0.268 3.938 ( -0.000 -4.721 0.000) 4.721 4.079 ( -0.000 -2.509 0.000) 2.509 4.505 ( -0.000 -0.523 0.000) 0.523 5.170 ( -0.000 -0.278 0.000) 0.278 6.364 ( -0.000 -0.049 0.000) 0.049 6.601 ( 0.000 0.952 0.000) 0.952 6.673 ( 0.000 0.270 0.000) 0.270 7.643 ( -0.000 -1.561 0.000) 1.561 8.900 ( 0.000 0.060 0.000) 0.060 10.082 ( 0.000 0.472 0.000) 0.472 10.848 ( 0.000 0.285 0.000) 0.285 12.468 ( 0.000 0.039 0.000) 0.039 13.195 ( -0.000 -1.505 0.000) 1.505 13.829 ( -0.000 -0.072 0.000) 0.072 14.637 ( -0.000 -0.204 0.000) 0.204 16.084 ( 0.000 8.129 0.000) 8.129 17.585 ( -0.000 -6.136 0.000) 6.136 ======================= Grid point 34 (23/155) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( 0.080 -0.000 0.000) 0.080 1.465 ( -5.625 0.000 0.000) 5.625 1.594 ( 13.668 -0.000 0.000) 13.668 1.828 ( 7.864 -0.000 0.000) 7.864 2.000 ( -10.882 0.000 0.000) 10.882 2.289 ( -3.216 0.000 0.000) 3.216 2.593 ( 3.987 -0.000 0.000) 3.987 2.636 ( 0.460 -0.000 0.000) 0.460 2.964 ( 4.534 -0.000 0.000) 4.534 3.119 ( 3.881 -0.000 0.000) 3.881 3.206 ( 5.986 -0.000 0.000) 5.986 3.394 ( -6.541 0.000 0.000) 6.541 3.734 ( -2.258 0.000 0.000) 2.258 3.912 ( -7.142 0.000 0.000) 7.142 3.963 ( -2.402 0.000 0.000) 2.402 4.186 ( 4.351 -0.000 0.000) 4.351 4.917 ( 3.873 -0.000 0.000) 3.873 6.234 ( 0.762 -0.000 0.000) 0.762 6.508 ( 1.550 -0.000 0.000) 1.550 7.488 ( -7.422 0.000 0.000) 7.422 9.137 ( -26.480 0.000 0.000) 26.480 9.925 ( 2.050 -0.000 0.000) 2.050 10.148 ( -14.668 0.000 0.000) 14.668 11.446 ( 34.870 -0.000 0.000) 34.870 12.502 ( -0.254 0.000 0.000) 0.254 13.391 ( -30.537 0.000 0.000) 30.537 14.129 ( -2.990 0.000 0.000) 2.990 14.343 ( 4.193 -0.000 0.000) 4.193 16.051 ( 5.659 -0.000 0.000) 5.659 16.790 ( 3.467 -0.000 0.000) 3.467 ======================= Grid point 35 (24/155) ======================= q-point: (-0.60 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( -5.937 1.940 0.000) 6.246 1.394 ( -0.585 4.657 0.000) 4.693 1.755 ( -15.961 -1.827 0.000) 16.065 1.841 ( 11.699 -1.373 0.000) 11.779 2.036 ( 12.679 -0.629 0.000) 12.695 2.212 ( -5.117 -0.089 0.000) 5.118 2.603 ( 0.732 6.055 0.000) 6.099 2.698 ( 3.311 -5.095 0.000) 6.076 3.104 ( 11.150 -0.104 0.000) 11.150 3.158 ( 0.422 1.172 0.000) 1.246 3.234 ( -1.662 6.684 0.000) 6.887 3.402 ( 7.097 -6.756 0.000) 9.799 3.705 ( -1.353 -1.100 0.000) 1.744 3.748 ( -8.529 1.807 0.000) 8.718 3.885 ( -6.653 -0.473 0.000) 6.669 4.302 ( 6.139 -1.841 0.000) 6.409 4.985 ( 4.048 0.774 0.000) 4.121 6.257 ( 1.784 -0.017 0.000) 1.784 6.546 ( 2.572 -0.060 0.000) 2.573 7.300 ( -13.228 0.020 0.000) 13.228 8.614 ( -30.443 -0.469 0.000) 30.447 9.799 ( -23.015 0.026 0.000) 23.015 9.973 ( 3.123 0.027 0.000) 3.123 12.045 ( 31.342 8.477 0.000) 32.468 12.495 ( -0.537 0.017 0.000) 0.538 12.798 ( -38.002 -11.935 0.000) 39.832 14.053 ( -5.363 -0.192 0.000) 5.367 14.438 ( 5.819 -0.028 0.000) 5.819 16.149 ( 6.322 2.743 0.000) 6.891 16.901 ( 8.663 -0.604 0.000) 8.684 ======================= Grid point 36 (25/155) ======================= q-point: (-0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( -6.102 4.775 0.000) 7.748 1.274 ( -10.477 10.281 0.000) 14.679 1.528 ( -6.508 -2.665 0.000) 7.032 2.010 ( 4.433 0.463 0.000) 4.457 2.118 ( -4.943 -0.213 0.000) 4.948 2.237 ( 8.594 -0.023 0.000) 8.594 2.563 ( 2.530 7.746 0.000) 8.149 2.823 ( 5.717 -6.001 0.000) 8.289 3.074 ( -5.241 3.661 0.000) 6.393 3.211 ( 1.340 0.450 0.000) 1.414 3.346 ( 14.383 -0.239 0.000) 14.385 3.562 ( -2.055 -0.144 0.000) 2.060 3.647 ( 3.805 1.221 0.000) 3.996 3.708 ( -0.012 -2.966 0.000) 2.966 3.758 ( -5.560 -2.815 0.000) 6.232 4.412 ( 3.949 -2.627 0.000) 4.743 5.050 ( 4.302 1.315 0.000) 4.499 6.296 ( 2.481 -0.053 0.000) 2.481 6.595 ( 2.573 -0.141 0.000) 2.577 7.034 ( -15.667 0.225 0.000) 15.669 8.104 ( -25.869 -0.603 0.000) 25.876 9.375 ( -22.823 -0.043 0.000) 22.823 10.030 ( 3.172 0.231 0.000) 3.180 11.910 ( -35.859 3.901 0.000) 36.070 12.483 ( -0.648 0.033 0.000) 0.649 12.728 ( 15.019 -11.103 0.000) 18.677 13.952 ( -5.741 -0.143 0.000) 5.743 14.537 ( 4.914 -0.088 0.000) 4.915 16.224 ( 5.535 5.135 0.000) 7.551 17.102 ( 12.195 -1.754 0.000) 12.321 ======================= Grid point 37 (26/155) ======================= q-point: (-0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( -16.961 6.976 0.000) 18.340 0.923 ( -3.972 8.045 0.000) 8.972 1.498 ( 3.338 11.441 0.000) 11.918 1.971 ( -5.275 2.317 0.000) 5.761 2.048 ( -2.974 -0.558 0.000) 3.026 2.343 ( 3.866 0.880 0.000) 3.965 2.595 ( 6.123 5.249 0.000) 8.065 2.950 ( -3.153 2.095 0.000) 3.785 3.006 ( 7.493 -3.441 0.000) 8.245 3.239 ( 1.333 -0.198 0.000) 1.348 3.476 ( -4.717 -0.372 0.000) 4.732 3.535 ( -9.986 -1.672 0.000) 10.125 3.553 ( 7.540 1.310 0.000) 7.653 3.768 ( 2.916 -5.474 0.000) 6.202 3.904 ( 10.373 -1.621 0.000) 10.499 4.481 ( 1.389 -1.963 0.000) 2.405 5.120 ( 4.226 0.642 0.000) 4.274 6.341 ( 2.257 0.013 0.000) 2.257 6.633 ( 1.240 -0.084 0.000) 1.242 6.773 ( -11.649 0.698 0.000) 11.670 7.739 ( -14.770 -1.123 0.000) 14.813 9.033 ( -14.205 0.007 0.000) 14.205 10.075 ( 1.979 0.385 0.000) 2.016 11.219 ( -35.963 -2.606 0.000) 36.058 12.473 ( -0.450 0.037 0.000) 0.451 13.044 ( 11.153 -3.713 0.000) 11.754 13.864 ( -3.832 -0.076 0.000) 3.833 14.607 ( 2.688 -0.159 0.000) 2.693 16.255 ( 3.300 6.925 0.000) 7.671 17.336 ( 10.282 -3.782 0.000) 10.955 ======================= Grid point 38 (27/155) ======================= q-point: (-0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.673 ( 0.000 8.854 0.000) 8.854 0.805 ( 0.000 11.025 0.000) 11.025 1.386 ( 0.000 21.807 0.000) 21.807 1.899 ( 0.000 0.213 0.000) 0.213 2.027 ( -0.000 -0.740 0.000) 0.740 2.367 ( 0.000 1.274 0.000) 1.274 2.631 ( 0.000 3.214 0.000) 3.214 2.883 ( 0.000 3.268 0.000) 3.268 3.165 ( -0.000 -4.827 0.000) 4.827 3.216 ( 0.000 4.743 0.000) 4.743 3.419 ( -0.000 -5.615 0.000) 5.615 3.464 ( -0.000 -0.990 0.000) 0.990 3.602 ( 0.000 1.099 0.000) 1.099 3.852 ( -0.000 -5.476 0.000) 5.476 4.033 ( -0.000 -2.782 0.000) 2.782 4.496 ( -0.000 -0.484 0.000) 0.484 5.165 ( -0.000 -0.279 0.000) 0.279 6.364 ( 0.000 0.026 0.000) 0.026 6.618 ( 0.000 1.148 0.000) 1.148 6.676 ( 0.000 0.023 0.000) 0.023 7.616 ( -0.000 -1.579 0.000) 1.579 8.901 ( 0.000 0.060 0.000) 0.060 10.090 ( 0.000 0.473 0.000) 0.473 10.853 ( 0.000 0.284 0.000) 0.284 12.468 ( 0.000 0.039 0.000) 0.039 13.166 ( -0.000 -1.867 0.000) 1.867 13.828 ( -0.000 -0.073 0.000) 0.073 14.633 ( -0.000 -0.204 0.000) 0.204 16.223 ( 0.000 8.072 0.000) 8.072 17.482 ( -0.000 -5.956 0.000) 5.956 ======================= Grid point 45 (28/155) ======================= q-point: (-0.60 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( -5.719 0.000 0.000) 5.719 1.388 ( -21.878 0.000 0.000) 21.878 1.478 ( 6.577 -0.000 0.000) 6.577 2.013 ( 5.678 -0.000 0.000) 5.678 2.117 ( -5.101 0.000 0.000) 5.101 2.236 ( 9.120 -0.000 0.000) 9.120 2.696 ( 2.309 -0.000 0.000) 2.309 2.705 ( 5.437 -0.000 0.000) 5.437 3.107 ( -6.243 0.000 0.000) 6.243 3.215 ( 0.307 -0.000 0.000) 0.307 3.345 ( 14.894 -0.000 0.000) 14.894 3.560 ( -0.048 0.000 0.000) 0.048 3.663 ( 7.573 -0.000 0.000) 7.573 3.682 ( -0.633 0.000 0.000) 0.633 3.729 ( -10.493 0.000 0.000) 10.493 4.390 ( 4.485 -0.000 0.000) 4.485 5.061 ( 4.023 -0.000 0.000) 4.023 6.296 ( 2.512 -0.000 0.000) 2.512 6.594 ( 2.575 -0.000 0.000) 2.575 7.036 ( -15.543 0.000 0.000) 15.543 8.099 ( -25.890 0.000 0.000) 25.890 9.375 ( -22.811 0.000 0.000) 22.811 10.032 ( 3.208 -0.000 0.000) 3.208 11.945 ( -46.395 0.000 0.000) 46.395 12.484 ( -0.650 0.000 0.000) 0.650 12.634 ( 26.254 -0.000 0.000) 26.254 13.950 ( -5.684 0.000 0.000) 5.684 14.536 ( 4.898 -0.000 0.000) 4.898 16.268 ( 5.485 -0.000 0.000) 5.485 17.086 ( 11.765 -0.000 0.000) 11.765 ======================= Grid point 47 (29/155) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( -18.285 2.405 0.000) 18.442 1.014 ( -3.456 2.778 0.000) 4.434 1.620 ( 9.544 3.481 0.000) 10.159 2.006 ( -5.386 1.413 0.000) 5.568 2.041 ( -3.102 -0.220 0.000) 3.110 2.353 ( 4.163 0.308 0.000) 4.174 2.699 ( 3.516 6.507 0.000) 7.396 2.892 ( 8.668 -6.396 0.000) 10.772 3.002 ( -3.795 1.121 0.000) 3.958 3.235 ( 1.846 -0.189 0.000) 1.855 3.475 ( -4.690 0.149 0.000) 4.693 3.519 ( -12.128 -0.427 0.000) 12.136 3.582 ( 9.862 1.741 0.000) 10.015 3.691 ( 1.038 -3.282 0.000) 3.442 3.882 ( 10.404 -0.822 0.000) 10.437 4.459 ( 2.801 -0.638 0.000) 2.873 5.127 ( 3.315 0.225 0.000) 3.322 6.342 ( 2.320 0.025 0.000) 2.321 6.632 ( 1.560 -0.009 0.000) 1.560 6.780 ( -11.598 0.239 0.000) 11.601 7.726 ( -15.025 -0.432 0.000) 15.031 9.033 ( -14.156 0.003 0.000) 14.156 10.080 ( 2.005 0.147 0.000) 2.011 11.192 ( -34.479 -0.735 0.000) 34.487 12.473 ( -0.455 0.014 0.000) 0.455 13.004 ( 13.769 -1.219 0.000) 13.823 13.862 ( -3.792 -0.046 0.000) 3.792 14.605 ( 2.670 -0.061 0.000) 2.671 16.337 ( 3.206 2.644 0.000) 4.155 17.289 ( 9.159 -1.540 0.000) 9.288 ======================= Grid point 48 (30/155) ======================= q-point: (-0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( 0.000 4.509 0.000) 4.509 0.946 ( 0.000 5.781 0.000) 5.781 1.677 ( 0.000 12.627 0.000) 12.627 1.902 ( 0.000 0.119 0.000) 0.119 2.016 ( -0.000 -0.489 0.000) 0.489 2.385 ( 0.000 0.759 0.000) 0.759 2.695 ( 0.000 4.532 0.000) 4.532 2.932 ( 0.000 2.389 0.000) 2.389 3.073 ( -0.000 -6.197 0.000) 6.197 3.284 ( 0.000 3.265 0.000) 3.265 3.339 ( -0.000 -3.481 0.000) 3.481 3.446 ( -0.000 -1.090 0.000) 1.090 3.631 ( 0.000 2.439 0.000) 2.439 3.763 ( -0.000 -5.094 0.000) 5.094 3.993 ( -0.000 -1.892 0.000) 1.892 4.490 ( -0.000 -0.295 0.000) 0.295 5.162 ( -0.000 -0.172 0.000) 0.172 6.365 ( 0.000 0.056 0.000) 0.056 6.637 ( 0.000 1.015 0.000) 1.015 6.673 ( -0.000 -0.315 0.000) 0.315 7.594 ( -0.000 -0.986 0.000) 0.986 8.902 ( 0.000 0.037 0.000) 0.037 10.096 ( 0.000 0.293 0.000) 0.293 10.856 ( 0.000 0.175 0.000) 0.175 12.469 ( 0.000 0.024 0.000) 0.024 13.138 ( -0.000 -1.347 0.000) 1.347 13.827 ( -0.000 -0.045 0.000) 0.045 14.630 ( -0.000 -0.126 0.000) 0.126 16.335 ( 0.000 4.970 0.000) 4.970 17.400 ( -0.000 -3.590 0.000) 3.590 ======================= Grid point 58 (31/155) ======================= q-point: ( 0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( 0.000 0.000 0.000) 0.000 0.994 ( 0.000 0.000 0.000) 0.000 1.784 ( 0.000 0.000 0.000) 0.000 1.903 ( 0.000 0.000 0.000) 0.000 2.012 ( 0.000 0.000 0.000) 0.000 2.391 ( 0.000 0.000 0.000) 0.000 2.749 ( 0.000 0.000 0.000) 0.000 2.953 ( 0.000 0.000 0.000) 0.000 3.002 ( -0.000 -0.000 0.000) 0.000 3.311 ( 0.000 0.000 0.000) 0.000 3.314 ( 0.000 0.000 0.000) 0.000 3.435 ( 0.000 0.000 0.000) 0.000 3.675 ( 0.000 0.000 0.000) 0.000 3.696 ( 0.000 0.000 0.000) 0.000 3.977 ( 0.000 0.000 0.000) 0.000 4.487 ( 0.000 0.000 0.000) 0.000 5.160 ( 0.000 0.000 0.000) 0.000 6.366 ( 0.000 0.000 0.000) 0.000 6.647 ( -0.000 -0.000 0.000) 0.000 6.669 ( 0.000 0.000 0.000) 0.000 7.586 ( 0.000 0.000 0.000) 0.000 8.902 ( 0.000 0.000 0.000) 0.000 10.099 ( 0.000 0.000 0.000) 0.000 10.858 ( 0.000 0.000 0.000) 0.000 12.469 ( 0.000 0.000 0.000) 0.000 13.126 ( 0.000 0.000 0.000) 0.000 13.826 ( 0.000 0.000 0.000) 0.000 14.629 ( 0.000 0.000 0.000) 0.000 16.377 ( 0.000 0.000 0.000) 0.000 17.370 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 105 (32/155) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.310 ( 0.000 0.000 15.293) 15.293 0.382 ( 0.000 0.000 18.110) 18.110 0.976 ( 0.000 0.000 44.551) 44.551 1.910 ( 0.000 0.000 1.711) 1.711 2.091 ( 0.000 0.000 3.668) 3.668 2.367 ( 0.000 0.000 -6.796) 6.796 2.505 ( 0.000 0.000 2.420) 2.420 2.571 ( 0.000 0.000 3.396) 3.396 2.786 ( 0.000 0.000 -0.270) 0.270 2.951 ( 0.000 0.000 -8.995) 8.995 3.313 ( 0.000 0.000 -1.712) 1.712 3.489 ( 0.000 0.000 0.350) 0.350 3.602 ( 0.000 0.000 -4.957) 4.957 4.043 ( 0.000 0.000 -6.321) 6.321 4.111 ( 0.000 0.000 7.352) 7.352 4.654 ( 0.000 0.000 1.271) 1.271 5.605 ( 0.000 0.000 37.767) 37.767 6.135 ( 0.000 0.000 -15.391) 15.391 6.634 ( 0.000 0.000 -3.250) 3.250 7.418 ( 0.000 0.000 29.778) 29.778 7.696 ( 0.000 0.000 2.641) 2.641 9.025 ( 0.000 0.000 11.438) 11.438 10.761 ( 0.000 0.000 -7.624) 7.624 11.773 ( 0.000 0.000 -9.767) 9.767 12.505 ( 0.000 0.000 3.566) 3.566 13.773 ( 0.000 0.000 -5.501) 5.501 14.585 ( 0.000 0.000 9.389) 9.389 14.694 ( 0.000 0.000 5.099) 5.099 15.910 ( 0.000 0.000 -1.813) 1.813 16.909 ( 0.000 0.000 -5.702) 5.702 ======================= Grid point 106 (33/155) ======================= q-point: ( 0.10 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.516 ( 10.689 -4.741 12.440) 17.073 0.687 ( 21.929 -4.565 10.522) 24.748 1.091 ( 13.454 -3.907 35.448) 38.116 1.916 ( 0.325 -0.559 1.493) 1.627 2.108 ( 1.912 0.007 3.056) 3.605 2.309 ( -3.391 -0.727 -2.018) 4.013 2.493 ( -0.649 3.130 3.076) 4.436 2.607 ( -0.807 -10.274 0.772) 10.334 2.944 ( -0.458 0.572 -6.988) 7.026 3.110 ( 16.375 -4.702 -14.567) 22.415 3.271 ( -3.643 0.775 -1.856) 4.162 3.490 ( 0.656 0.109 0.376) 0.764 3.633 ( 3.696 1.475 -5.108) 6.475 4.006 ( -3.146 0.796 -3.342) 4.658 4.086 ( -2.251 1.078 7.393) 7.803 4.624 ( -1.247 4.332 -0.968) 4.611 5.514 ( -9.041 -0.217 38.655) 39.699 6.132 ( 0.687 1.353 -13.264) 13.351 6.619 ( -1.593 0.118 -3.108) 3.494 7.353 ( -0.272 1.351 36.048) 36.075 7.815 ( 13.413 0.280 2.690) 13.683 9.152 ( 13.699 -0.023 10.783) 17.434 10.718 ( -4.452 0.834 23.880) 24.306 11.669 ( -4.085 7.751 -6.293) 10.787 12.414 ( -4.941 -1.296 0.471) 5.129 13.804 ( 3.384 0.008 -5.545) 6.496 14.243 ( -0.352 41.268 13.078) 43.292 14.671 ( -3.205 -0.688 5.196) 6.143 15.897 ( -1.968 -1.685 -2.103) 3.337 16.971 ( -6.126 -15.850 -10.540) 19.996 ======================= Grid point 107 (34/155) ======================= q-point: ( 0.20 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( 11.710 -5.836 7.285) 14.975 0.989 ( 10.296 -4.418 21.021) 23.821 1.505 ( 24.707 -2.430 11.468) 27.347 1.922 ( -0.926 -1.349 1.154) 2.002 2.157 ( 3.169 -0.420 1.643) 3.594 2.259 ( -3.107 -0.918 2.535) 4.114 2.439 ( -2.172 2.751 1.761) 3.923 2.701 ( 2.100 -8.737 -0.753) 9.017 2.894 ( -4.805 0.302 -3.144) 5.750 3.147 ( -6.657 -0.070 -2.288) 7.039 3.327 ( 3.668 -1.460 -5.205) 6.532 3.519 ( 2.374 -0.213 0.192) 2.391 3.702 ( 5.680 2.568 -4.722) 7.821 3.939 ( -2.972 1.431 0.504) 3.337 4.022 ( -3.121 1.819 7.669) 8.477 4.544 ( -3.376 4.692 -2.946) 6.488 5.350 ( -8.604 -1.210 38.744) 39.707 6.130 ( -0.015 1.334 -12.227) 12.300 6.579 ( -2.528 0.215 -2.742) 3.736 7.443 ( 9.365 0.194 31.670) 33.027 8.162 ( 24.989 0.167 2.676) 25.133 9.483 ( 22.083 0.005 9.323) 23.970 10.609 ( -5.717 1.712 45.056) 45.450 11.539 ( -10.068 -4.164 -8.315) 13.706 12.402 ( 2.059 -0.228 -5.449) 5.830 13.886 ( 5.402 -0.139 -5.648) 7.817 14.003 ( 4.859 30.358 -0.341) 30.746 14.596 ( -5.667 -0.656 4.907) 7.525 15.870 ( -2.811 -2.140 -2.750) 4.477 16.929 ( -8.131 -6.928 -9.733) 14.451 ======================= Grid point 108 (35/155) ======================= q-point: ( 0.30 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( 11.051 -5.495 4.628) 13.181 1.190 ( 8.424 -4.240 19.627) 21.775 1.845 ( 3.596 1.322 1.354) 4.064 1.917 ( 6.677 0.896 -0.500) 6.755 2.206 ( -1.943 -0.478 6.979) 7.260 2.222 ( 1.334 -0.690 4.658) 4.894 2.400 ( 0.294 -0.010 -2.005) 2.026 2.765 ( -6.609 0.550 -1.282) 6.754 2.821 ( 2.329 -5.065 -2.240) 6.008 3.050 ( -3.685 -1.586 -1.341) 4.230 3.348 ( -0.809 -0.096 6.808) 6.857 3.570 ( 2.209 -1.732 -0.713) 2.896 3.767 ( 3.402 3.746 -0.202) 5.064 3.884 ( -1.133 2.525 3.227) 4.251 3.972 ( -0.565 -0.083 5.667) 5.696 4.429 ( -5.319 4.184 -2.934) 7.376 5.243 ( -4.794 -1.877 36.887) 37.244 6.110 ( -0.867 1.054 -11.780) 11.859 6.531 ( -2.526 0.229 -2.327) 3.442 7.626 ( 10.078 0.045 26.712) 28.549 8.676 ( 31.383 0.226 2.173) 31.459 9.894 ( 22.451 0.060 8.052) 23.851 10.505 ( -4.310 1.178 47.464) 47.674 11.340 ( -18.809 -9.556 -6.614) 22.110 12.459 ( 3.551 0.181 -3.061) 4.692 13.882 ( 5.379 21.511 -7.843) 23.519 13.989 ( 5.439 -0.438 -5.769) 7.941 14.488 ( -6.642 -0.585 4.363) 7.968 15.835 ( -2.870 -2.058 -3.644) 5.075 16.821 ( -7.235 -1.496 -9.414) 11.967 ======================= Grid point 109 (36/155) ======================= q-point: ( 0.40 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( 10.758 -5.089 2.992) 12.271 1.353 ( 6.120 -2.606 14.977) 16.388 1.727 ( -9.155 2.744 2.670) 9.923 2.022 ( 2.388 1.339 2.420) 3.654 2.144 ( -2.859 1.249 9.441) 9.944 2.264 ( 2.096 0.140 -2.663) 3.392 2.447 ( 2.586 -1.708 -1.907) 3.639 2.631 ( -5.445 1.861 -2.499) 6.274 2.896 ( 1.541 -2.302 -1.864) 3.339 3.053 ( 1.158 -2.609 -0.785) 2.961 3.329 ( -0.838 0.311 16.373) 16.397 3.626 ( 1.488 -3.894 -2.364) 4.792 3.754 ( 0.124 4.740 5.476) 7.243 3.857 ( -0.057 1.830 3.645) 4.079 4.017 ( 4.068 -1.895 2.642) 5.208 4.287 ( -6.700 3.750 -1.395) 7.804 5.201 ( -1.836 -1.411 34.853) 34.930 6.088 ( -0.709 0.584 -11.468) 11.505 6.491 ( -1.580 0.148 -2.020) 2.569 7.774 ( 5.966 0.066 23.917) 24.650 9.217 ( 27.001 0.823 0.830) 27.027 10.236 ( 14.690 0.090 8.114) 16.783 10.443 ( -1.728 0.459 46.947) 46.981 11.043 ( -20.794 -7.498 -5.188) 22.705 12.508 ( 1.756 0.026 0.465) 1.817 13.833 ( 4.020 11.468 -10.845) 16.287 14.075 ( 3.498 -0.452 -5.767) 6.760 14.384 ( -4.833 -0.358 3.705) 6.100 15.806 ( -1.842 -1.326 -4.586) 5.117 16.716 ( -4.432 0.405 -9.459) 10.454 ======================= Grid point 110 (37/155) ======================= q-point: (-0.50 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( 0.000 -0.000 10.918) 10.918 1.457 ( 0.000 -0.000 0.462) 0.462 1.550 ( 0.000 0.000 6.172) 6.172 2.024 ( 0.000 -0.000 17.170) 17.170 2.113 ( 0.000 -0.000 -3.083) 3.083 2.284 ( 0.000 0.000 -3.386) 3.386 2.483 ( 0.000 -0.000 -2.567) 2.567 2.568 ( 0.000 0.000 -2.669) 2.669 2.918 ( 0.000 -0.000 -1.343) 1.343 3.083 ( 0.000 -0.000 -1.421) 1.421 3.319 ( 0.000 -0.000 20.376) 20.376 3.667 ( 0.000 -0.000 -4.663) 4.663 3.727 ( 0.000 0.000 7.381) 7.381 3.849 ( 0.000 -0.000 3.779) 3.779 4.115 ( 0.000 -0.000 2.878) 2.878 4.156 ( -0.000 0.000 -0.700) 0.700 5.191 ( 0.000 -0.000 34.046) 34.046 6.079 ( 0.000 -0.000 -11.354) 11.354 6.476 ( 0.000 -0.000 -1.909) 1.909 7.828 ( 0.000 -0.000 23.030) 23.030 9.492 ( 0.000 -0.000 -0.358) 0.358 10.372 ( -0.000 -0.000 14.777) 14.777 10.438 ( 0.000 -0.000 42.288) 42.288 10.842 ( -0.000 -0.000 -6.187) 6.187 12.522 ( 0.000 -0.000 1.634) 1.634 13.823 ( 0.000 -0.000 -11.395) 11.395 14.110 ( 0.000 -0.000 -5.708) 5.708 14.339 ( 0.000 -0.000 3.361) 3.361 15.794 ( 0.000 -0.000 -5.013) 5.013 16.672 ( 0.000 -0.000 -9.504) 9.504 ======================= Grid point 117 (38/155) ======================= q-point: ( 0.10 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( 13.102 -0.000 8.623) 15.685 0.951 ( 10.898 -0.000 22.546) 25.041 1.482 ( 27.325 -0.000 13.314) 30.396 1.908 ( -0.970 0.000 1.594) 1.866 2.154 ( 3.107 -0.000 1.197) 3.330 2.252 ( -3.074 0.000 2.478) 3.949 2.484 ( -3.813 0.000 -0.316) 3.826 2.603 ( 5.643 -0.000 1.729) 5.902 2.898 ( -4.642 0.000 -3.409) 5.759 3.146 ( -6.525 0.000 -2.284) 6.913 3.315 ( 4.632 -0.000 -5.888) 7.492 3.517 ( 2.077 -0.000 0.544) 2.147 3.725 ( 5.671 -0.000 -4.521) 7.253 3.949 ( -3.279 0.000 -0.922) 3.406 4.039 ( -3.336 0.000 6.987) 7.743 4.586 ( -4.550 0.000 -2.231) 5.068 5.340 ( -8.878 0.000 39.210) 40.203 6.142 ( -0.342 0.000 -12.140) 12.145 6.581 ( -2.543 0.000 -2.664) 3.683 7.445 ( 9.105 -0.000 31.688) 32.970 8.163 ( 24.835 -0.000 2.643) 24.975 9.483 ( 22.103 -0.000 9.288) 23.975 10.625 ( -5.969 0.000 45.086) 45.480 11.502 ( -14.199 0.000 -7.836) 16.218 12.400 ( 2.667 -0.000 -5.378) 6.003 13.884 ( 5.261 -0.000 -5.635) 7.709 14.295 ( -6.582 0.000 -4.469) 7.955 14.589 ( -5.486 0.000 4.312) 6.978 15.862 ( -1.631 0.000 -3.578) 3.932 16.847 ( -3.258 0.000 -6.812) 7.551 ======================= Grid point 118 (39/155) ======================= q-point: ( 0.20 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( 12.337 -1.907 5.660) 13.706 1.139 ( 9.634 -1.713 22.319) 24.370 1.865 ( -1.521 0.950 1.970) 2.664 1.918 ( 15.460 -0.449 1.286) 15.520 2.197 ( -2.683 -0.372 11.084) 11.410 2.214 ( 3.220 -0.222 -0.605) 3.284 2.411 ( -2.653 0.814 -3.184) 4.224 2.728 ( 4.267 -2.684 0.618) 5.079 2.799 ( -3.949 0.494 -1.831) 4.381 3.032 ( -5.159 -0.591 -1.746) 5.478 3.345 ( -0.311 -0.127 5.880) 5.890 3.551 ( 1.124 -0.558 0.229) 1.276 3.821 ( 5.147 2.308 -2.177) 6.046 3.900 ( -1.634 -0.304 -0.130) 1.667 3.976 ( -2.955 0.450 6.946) 7.562 4.478 ( -6.387 1.611 -1.620) 6.784 5.220 ( -4.701 -0.782 37.660) 37.960 6.124 ( -1.220 0.477 -11.594) 11.668 6.533 ( -2.581 0.088 -2.211) 3.400 7.628 ( 10.105 0.067 26.753) 28.598 8.677 ( 31.437 -0.026 2.168) 31.512 9.894 ( 22.451 0.007 7.946) 23.815 10.521 ( -4.945 0.621 48.789) 49.043 11.226 ( -17.985 -3.779 -6.014) 19.337 12.461 ( 3.422 0.043 -2.791) 4.416 13.982 ( 5.254 -0.236 -5.652) 7.720 14.141 ( -5.467 8.430 -9.457) 13.798 14.480 ( -6.445 -0.246 3.671) 7.422 15.833 ( -1.024 0.903 -4.776) 4.967 16.788 ( -4.581 -1.714 -8.127) 9.485 ======================= Grid point 119 (40/155) ======================= q-point: ( 0.30 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( 11.626 -2.854 3.676) 12.523 1.316 ( 8.007 -1.756 18.054) 19.828 1.762 ( -7.644 1.437 2.763) 8.254 2.038 ( -0.299 0.651 4.615) 4.670 2.165 ( -1.914 1.157 6.041) 6.441 2.264 ( 2.042 -0.039 -2.710) 3.393 2.419 ( 2.434 -1.421 -1.139) 3.040 2.662 ( -5.016 1.414 -1.755) 5.499 2.876 ( 5.315 -0.063 -1.107) 5.429 3.008 ( 1.212 -2.601 -1.549) 3.262 3.337 ( 0.022 0.495 15.769) 15.777 3.567 ( -0.571 -2.760 -0.472) 2.858 3.831 ( 0.594 4.218 1.132) 4.407 3.887 ( -1.285 1.514 3.822) 4.307 3.980 ( 3.011 -2.507 2.294) 4.540 4.336 ( -7.660 2.096 -0.301) 7.948 5.179 ( -1.024 -1.043 35.417) 35.447 6.098 ( -1.079 0.506 -11.317) 11.380 6.493 ( -1.683 0.096 -1.925) 2.559 7.775 ( 5.966 0.098 23.973) 24.704 9.223 ( 26.693 -0.004 0.887) 26.708 10.238 ( 14.784 0.052 7.891) 16.758 10.449 ( -2.489 0.280 47.987) 48.053 10.943 ( -15.766 -4.246 -4.766) 17.009 12.508 ( 1.698 -0.000 0.547) 1.783 13.972 ( -7.082 5.285 -10.839) 13.985 14.066 ( 3.486 -0.538 -5.618) 6.633 14.379 ( -4.558 -0.223 3.240) 5.597 15.817 ( 0.648 1.979 -5.633) 6.006 16.716 ( -3.947 -0.336 -9.061) 9.889 ======================= Grid point 120 (41/155) ======================= q-point: ( 0.40 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( 7.059 -1.718 5.054) 8.850 1.434 ( 5.860 -1.188 9.031) 10.831 1.585 ( -8.547 3.013 4.248) 10.009 2.022 ( 0.003 -0.218 17.254) 17.255 2.110 ( -2.940 -0.342 -3.320) 4.448 2.283 ( -0.157 -0.065 -3.428) 3.433 2.463 ( 0.812 -1.706 -2.325) 2.996 2.591 ( -1.071 1.898 -2.574) 3.373 2.935 ( 2.599 2.070 -1.642) 3.706 3.072 ( 2.417 -1.387 -1.490) 3.160 3.334 ( 0.454 1.746 19.690) 19.772 3.587 ( -1.027 -5.898 0.395) 6.000 3.800 ( 0.007 5.167 2.492) 5.736 3.855 ( -0.947 0.764 3.660) 3.857 4.073 ( 3.844 -3.604 1.513) 5.482 4.183 ( -6.655 1.855 1.102) 6.996 5.189 ( 1.238 -0.253 33.924) 33.947 6.081 ( -0.400 0.220 -11.325) 11.334 6.476 ( -0.134 0.008 -1.895) 1.900 7.829 ( -0.048 0.060 23.074) 23.074 9.480 ( -2.281 -1.205 -0.064) 2.581 10.374 ( -0.211 0.263 13.702) 13.706 10.432 ( -0.632 -0.641 43.114) 43.124 10.856 ( 8.971 1.417 -6.276) 11.040 12.522 ( -0.016 -0.016 1.620) 1.620 13.796 ( -11.583 -2.857 -10.602) 15.960 14.105 ( 0.165 -0.535 -5.664) 5.692 14.339 ( 0.338 0.011 3.370) 3.387 15.826 ( 2.887 3.332 -5.754) 7.249 16.671 ( -0.723 -0.105 -9.495) 9.523 ======================= Grid point 121 (42/155) ======================= q-point: (-0.50 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( -9.145 5.926 2.277) 11.133 1.396 ( -3.827 2.481 12.281) 13.100 1.675 ( 10.532 -3.304 2.391) 11.293 1.996 ( -5.617 -1.735 0.518) 5.901 2.124 ( 4.391 -1.205 13.262) 14.022 2.260 ( -2.302 -0.237 -2.797) 3.630 2.467 ( -1.390 0.518 -3.290) 3.609 2.613 ( 4.745 -0.287 -2.503) 5.372 2.946 ( 1.390 3.545 -2.928) 4.804 3.092 ( 0.203 1.952 -0.855) 2.141 3.331 ( 0.594 0.654 15.609) 15.634 3.624 ( -0.422 -5.231 1.074) 5.357 3.740 ( -2.109 3.985 4.969) 6.710 3.834 ( -1.277 -0.643 3.825) 4.083 4.039 ( -5.245 0.588 4.028) 6.639 4.218 ( 5.510 -4.324 -2.434) 7.415 5.222 ( 2.819 1.083 33.965) 34.099 6.081 ( 0.269 -0.309 -11.613) 11.620 6.488 ( 1.450 -0.140 -2.106) 2.561 7.773 ( -5.925 0.026 23.952) 24.674 9.196 ( -26.741 -1.622 1.157) 26.815 10.235 ( -14.709 -0.091 8.184) 16.833 10.435 ( 1.389 -0.437 46.302) 46.325 11.178 ( 26.227 8.359 -6.526) 28.290 12.507 ( -1.881 -0.069 0.306) 1.907 13.613 ( -16.030 -13.989 -9.358) 23.243 14.078 ( -3.424 -0.149 -5.853) 6.783 14.390 ( 5.126 0.334 4.261) 6.675 15.861 ( 4.619 4.836 -5.040) 8.374 16.704 ( 4.082 -0.866 -9.709) 10.568 ======================= Grid point 122 (43/155) ======================= q-point: (-0.40 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( -8.669 8.085 3.107) 12.254 1.268 ( -6.597 4.893 16.120) 18.092 1.821 ( -6.700 -1.691 0.453) 6.925 1.886 ( 0.147 -2.660 -2.125) 3.408 2.211 ( 0.009 0.149 2.358) 2.363 2.232 ( 3.047 0.367 10.607) 11.042 2.418 ( -1.821 2.122 -2.053) 3.469 2.743 ( 7.794 -1.679 -2.040) 8.230 2.923 ( 0.397 6.588 -3.644) 7.539 3.083 ( 2.207 2.292 -0.785) 3.278 3.345 ( 0.933 -0.514 6.707) 6.791 3.603 ( -3.447 1.911 -2.613) 4.729 3.708 ( -1.931 -2.894 4.710) 5.856 3.832 ( 0.115 -3.149 5.742) 6.550 3.971 ( -1.900 -0.459 5.907) 6.222 4.348 ( 4.217 -5.248 -4.618) 8.164 5.277 ( 4.963 1.981 35.506) 35.905 6.093 ( 0.375 -0.976 -12.096) 12.141 6.526 ( 2.429 -0.281 -2.482) 3.484 7.627 ( -9.913 0.131 26.769) 28.546 8.668 ( -31.074 -0.697 2.380) 31.173 9.892 ( -22.462 -0.134 8.165) 23.900 10.487 ( 3.637 -0.964 46.181) 46.334 11.525 ( 19.780 12.328 -8.202) 24.709 12.454 ( -4.001 -0.528 -3.777) 5.527 13.482 ( -16.153 -25.289 -5.022) 30.425 13.994 ( -5.575 0.177 -5.915) 8.130 14.498 ( 6.874 0.644 5.391) 8.760 15.906 ( 5.266 6.013 -3.997) 8.937 16.827 ( 8.523 -0.696 -10.213) 13.320 ======================= Grid point 123 (44/155) ======================= q-point: (-0.30 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( -8.830 10.057 4.505) 14.122 1.084 ( -8.993 6.532 17.738) 20.933 1.547 ( -18.638 2.088 7.297) 20.124 1.941 ( 0.912 0.570 -0.457) 1.169 2.172 ( -2.812 1.420 3.097) 4.417 2.283 ( 3.276 1.965 3.555) 5.219 2.417 ( 2.836 0.067 2.347) 3.682 2.843 ( 0.462 7.234 -1.945) 7.505 2.892 ( 4.719 0.582 -2.728) 5.482 3.151 ( 6.010 0.549 -2.457) 6.516 3.356 ( -0.359 1.776 -3.664) 4.088 3.525 ( -3.540 0.489 -0.971) 3.703 3.652 ( -6.112 -2.962 -4.725) 8.274 3.897 ( 3.103 -3.429 4.526) 6.471 3.986 ( 1.905 -2.494 8.596) 9.151 4.448 ( 1.551 -6.292 -5.098) 8.245 5.376 ( 7.921 1.719 37.475) 38.342 6.104 ( -0.612 -1.685 -12.617) 12.743 6.574 ( 2.477 -0.359 -2.913) 3.841 7.442 ( -9.599 0.186 31.670) 33.093 8.156 ( -25.336 -0.503 2.852) 25.501 9.482 ( -22.033 -0.072 9.392) 23.951 10.578 ( 5.073 -1.914 44.770) 45.097 11.625 ( -0.586 5.797 -9.105) 10.810 12.407 ( -0.123 0.445 -5.768) 5.787 13.460 ( -13.228 -31.775 3.004) 34.549 13.890 ( -5.550 0.168 -5.798) 8.028 14.609 ( 5.826 0.865 6.199) 8.551 15.945 ( 4.766 6.521 -3.122) 8.660 17.005 ( 11.524 1.854 -11.908) 16.674 ======================= Grid point 124 (45/155) ======================= q-point: (-0.20 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.648 ( -10.467 10.120 7.466) 16.362 0.815 ( -13.674 9.896 10.888) 20.086 1.207 ( -11.116 9.240 26.956) 30.587 1.927 ( -1.111 0.583 1.017) 1.615 2.111 ( -2.312 0.492 3.767) 4.447 2.331 ( 3.481 1.895 -0.960) 4.078 2.479 ( 3.847 0.818 2.677) 4.758 2.779 ( 1.349 8.643 -1.243) 8.836 2.950 ( 1.861 1.706 -6.238) 6.730 3.228 ( -10.549 6.324 -13.029) 17.917 3.254 ( 4.410 1.015 -4.081) 6.094 3.486 ( -0.977 -0.430 -0.275) 1.103 3.588 ( -3.433 -3.608 -5.276) 7.255 3.980 ( 3.191 -2.355 -2.283) 4.576 4.053 ( 2.268 -2.812 8.584) 9.314 4.511 ( -0.902 -8.079 -1.829) 8.332 5.520 ( 8.285 0.540 38.134) 39.027 6.097 ( -1.739 -2.527 -13.189) 13.541 6.615 ( 1.583 -0.342 -3.266) 3.646 7.326 ( -2.559 -1.279 37.197) 37.307 7.806 ( -13.807 -0.861 2.851) 14.124 9.152 ( -13.682 0.021 10.800) 17.431 10.693 ( 5.510 -2.096 29.256) 29.844 11.475 ( -15.578 -12.992 5.970) 21.145 12.445 ( 4.928 2.131 -0.778) 5.425 13.511 ( -12.181 -35.727 16.051) 41.017 13.805 ( -3.523 -0.029 -5.596) 6.613 14.684 ( 3.234 0.908 6.461) 7.282 15.964 ( 3.095 6.117 -2.551) 7.315 17.187 ( 11.871 6.882 -16.972) 21.825 ======================= Grid point 125 (46/155) ======================= q-point: (-0.10 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.405 ( 0.000 9.704 11.600) 15.124 0.548 ( 0.000 16.091 10.973) 19.477 1.041 ( 0.000 7.793 39.717) 40.474 1.911 ( 0.000 0.136 1.685) 1.690 2.090 ( -0.000 -0.135 3.821) 3.823 2.359 ( 0.000 0.532 -1.758) 1.837 2.516 ( 0.000 1.493 0.500) 1.575 2.795 ( 0.000 1.226 -0.509) 1.328 2.852 ( 0.000 23.399 -15.161) 27.882 2.980 ( 0.000 3.292 -8.501) 9.117 3.302 ( -0.000 -1.049 -2.029) 2.284 3.484 ( -0.000 -0.599 0.125) 0.612 3.582 ( -0.000 -2.282 -5.089) 5.577 4.030 ( -0.000 -1.501 -6.374) 6.548 4.095 ( -0.000 -1.991 7.829) 8.078 4.569 ( -0.000 -8.672 2.559) 9.041 5.605 ( -0.000 -0.002 37.869) 37.869 6.104 ( -0.000 -3.185 -14.346) 14.695 6.632 ( -0.000 -0.239 -3.360) 3.368 7.359 ( -0.000 -5.066 35.981) 36.335 7.689 ( -0.000 -0.852 2.723) 2.853 9.025 ( 0.000 0.030 11.435) 11.435 10.763 ( 0.000 0.174 -7.627) 7.629 11.482 ( -0.000 -28.866 32.104) 43.173 12.505 ( 0.000 0.021 3.564) 3.564 13.715 ( -0.000 -52.763 39.244) 65.757 13.773 ( -0.000 -0.042 -5.499) 5.499 14.706 ( 0.000 0.735 6.150) 6.194 15.949 ( 0.000 4.578 -2.193) 5.076 17.233 ( 0.000 15.911 -24.318) 29.061 ======================= Grid point 128 (47/155) ======================= q-point: ( 0.20 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( 11.878 -0.000 3.950) 12.518 1.300 ( 8.739 -0.000 19.441) 21.315 1.773 ( -7.009 0.000 2.773) 7.537 2.044 ( -1.230 0.000 5.604) 5.737 2.176 ( -1.803 0.000 4.733) 5.065 2.264 ( 2.121 -0.000 -2.825) 3.533 2.407 ( 2.269 -0.000 -0.947) 2.458 2.673 ( -4.614 0.000 -1.116) 4.747 2.882 ( 7.774 -0.000 -0.713) 7.806 2.981 ( 0.200 -0.000 -2.328) 2.337 3.342 ( 0.638 -0.000 15.411) 15.424 3.543 ( -1.673 0.000 -0.084) 1.675 3.877 ( 0.110 -0.000 -1.176) 1.181 3.899 ( -0.860 0.000 3.000) 3.121 3.950 ( 2.349 -0.000 4.094) 4.720 4.354 ( -8.046 0.000 0.216) 8.049 5.170 ( -0.710 0.000 35.590) 35.597 6.103 ( -1.227 0.000 -11.255) 11.321 6.494 ( -1.721 0.000 -1.883) 2.551 7.776 ( 5.953 -0.000 24.017) 24.744 9.222 ( 26.445 -0.000 1.007) 26.464 10.238 ( 14.853 -0.000 7.770) 16.762 10.451 ( -2.967 0.000 48.548) 48.638 10.908 ( -13.557 0.000 -4.808) 14.384 12.508 ( 1.681 -0.000 0.570) 1.775 14.014 ( -11.464 0.000 -10.469) 15.525 14.061 ( 3.435 -0.000 -5.543) 6.521 14.377 ( -4.446 0.000 3.061) 5.398 15.839 ( 1.248 -0.000 -6.545) 6.663 16.712 ( -3.420 0.000 -8.794) 9.436 ======================= Grid point 129 (48/155) ======================= q-point: ( 0.30 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( 11.522 -1.081 2.136) 11.768 1.425 ( 4.293 -0.209 14.109) 14.749 1.625 ( -8.484 1.370 3.386) 9.237 2.019 ( -0.075 -0.132 17.382) 17.382 2.104 ( -5.001 -0.222 -3.726) 6.240 2.282 ( -0.235 -0.046 -3.499) 3.507 2.442 ( 1.144 -0.689 -2.152) 2.533 2.614 ( -1.467 0.730 -2.144) 2.699 2.983 ( 3.969 3.389 -2.149) 5.644 3.037 ( 4.086 -2.848 -1.842) 5.310 3.368 ( 2.344 1.907 19.944) 20.172 3.503 ( -3.458 -3.502 0.393) 4.937 3.852 ( -2.628 0.774 5.529) 6.170 3.890 ( 2.043 3.175 -1.337) 4.005 4.013 ( 2.268 -3.051 2.246) 4.415 4.204 ( -7.576 0.674 1.959) 7.854 5.185 ( 2.011 -0.156 33.725) 33.785 6.085 ( -0.650 0.136 -11.280) 11.299 6.476 ( -0.218 0.005 -1.873) 1.885 7.830 ( -0.084 0.038 23.147) 23.147 9.462 ( -3.475 -0.741 0.409) 3.577 10.379 ( -0.416 0.241 10.142) 10.153 10.421 ( -0.674 -0.449 46.345) 46.353 10.877 ( 14.131 0.851 -6.498) 15.576 12.522 ( -0.027 -0.010 1.597) 1.597 13.752 ( -18.213 -1.688 -9.405) 20.568 14.097 ( 0.215 -0.354 -5.570) 5.586 14.339 ( 0.537 0.006 3.383) 3.425 15.878 ( 3.927 2.038 -6.901) 8.198 16.669 ( -1.000 -0.104 -9.461) 9.514 ======================= Grid point 130 (49/155) ======================= q-point: (-0.60 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( -3.104 1.897 10.448) 11.063 1.443 ( -5.942 4.086 2.600) 7.666 1.626 ( 11.153 -2.369 1.886) 11.556 1.967 ( -8.247 -1.611 -0.825) 8.443 2.106 ( 5.589 -0.855 16.372) 17.320 2.257 ( -2.442 -0.164 -2.951) 3.834 2.469 ( 1.231 -0.024 -4.727) 4.885 2.614 ( 2.380 0.188 -2.121) 3.194 3.009 ( 3.138 3.814 -3.879) 6.280 3.112 ( 2.424 0.292 -1.256) 2.745 3.354 ( -1.637 2.143 10.846) 11.176 3.524 ( 1.262 -6.068 9.121) 11.027 3.796 ( -3.128 1.329 3.959) 5.218 3.856 ( -2.594 3.813 2.987) 5.495 4.030 ( -4.739 -1.864 4.687) 6.921 4.156 ( 3.389 -2.706 -2.580) 5.046 5.235 ( 3.605 0.515 33.097) 33.297 6.078 ( -0.086 -0.058 -11.682) 11.683 6.487 ( 1.341 -0.083 -2.153) 2.538 7.774 ( -5.872 0.055 24.056) 24.762 9.169 ( -26.068 -1.326 1.659) 26.155 10.234 ( -14.812 -0.052 8.043) 16.855 10.429 ( 1.391 -0.258 46.170) 46.192 11.301 ( 30.779 5.778 -8.183) 32.368 12.505 ( -2.083 -0.080 0.101) 2.087 13.408 ( -24.648 -9.660 -7.279) 27.456 14.072 ( -3.255 -0.429 -5.811) 6.675 14.394 ( 5.321 0.186 4.682) 7.090 15.941 ( 5.850 4.119 -6.171) 9.448 16.691 ( 3.452 -0.617 -9.847) 10.453 ======================= Grid point 131 (50/155) ======================= q-point: (-0.50 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( -5.720 8.290 2.512) 10.381 1.343 ( -4.762 3.991 12.948) 14.362 1.784 ( -11.526 -2.883 -0.762) 11.905 1.838 ( 6.548 -2.701 -2.510) 7.515 2.212 ( -1.058 -0.017 0.587) 1.210 2.234 ( 6.090 -0.053 13.688) 14.982 2.464 ( -0.268 3.243 -3.629) 4.874 2.708 ( 6.420 -2.694 -2.211) 7.305 3.035 ( 3.387 6.841 -4.636) 8.931 3.122 ( 1.246 2.229 -0.536) 2.609 3.326 ( -0.372 -1.974 3.680) 4.193 3.600 ( 0.849 -2.363 1.946) 3.177 3.701 ( -4.468 1.969 5.681) 7.491 3.794 ( -2.123 -1.278 7.404) 7.808 3.956 ( -3.793 -1.167 6.782) 7.858 4.264 ( 3.795 -4.637 -6.057) 8.520 5.305 ( 5.149 1.345 34.026) 34.440 6.080 ( -0.080 -0.564 -12.385) 12.398 6.522 ( 2.326 -0.226 -2.600) 3.496 7.630 ( -9.659 0.213 26.953) 28.632 8.655 ( -30.526 -0.801 2.737) 30.659 9.889 ( -22.482 -0.141 8.201) 23.932 10.474 ( 3.196 -0.559 45.378) 45.494 11.735 ( 22.165 12.575 -10.329) 27.498 12.438 ( -5.762 -1.510 -5.458) 8.080 13.090 ( -22.468 -20.753 -1.351) 30.616 13.994 ( -5.524 -0.203 -5.959) 8.128 14.507 ( 7.046 0.441 6.292) 9.457 16.011 ( 6.385 5.970 -5.141) 10.141 16.807 ( 8.409 -1.381 -10.487) 13.513 ======================= Grid point 132 (51/155) ======================= q-point: (-0.40 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( -6.728 11.517 2.462) 13.564 1.191 ( -7.887 6.041 14.625) 17.680 1.562 ( -12.396 -0.496 3.398) 12.862 1.936 ( 1.292 -0.940 -2.795) 3.219 2.198 ( -0.718 1.455 4.338) 4.632 2.321 ( 3.935 2.278 6.955) 8.309 2.443 ( 2.781 3.221 0.226) 4.261 2.858 ( 7.101 -2.605 -1.890) 7.796 2.978 ( -2.173 6.595 -1.831) 7.181 3.166 ( 4.243 1.137 -2.651) 5.131 3.379 ( 4.995 0.938 -3.135) 5.972 3.536 ( -5.435 0.866 -2.846) 6.196 3.617 ( -6.797 -1.118 -3.841) 7.887 3.836 ( 3.613 -3.614 9.055) 10.397 3.938 ( 0.065 -3.173 10.034) 10.524 4.349 ( 0.796 -5.456 -7.923) 9.653 5.403 ( 7.173 1.451 35.876) 36.615 6.078 ( -1.192 -1.311 -13.205) 13.323 6.568 ( 2.397 -0.368 -3.072) 3.914 7.448 ( -9.442 0.530 31.823) 33.199 8.146 ( -25.645 -0.659 3.143) 25.845 9.481 ( -21.966 -0.121 9.428) 23.904 10.550 ( 4.392 -1.335 44.201) 44.439 11.721 ( -15.110 5.601 -9.213) 18.562 12.417 ( 3.759 0.724 -6.788) 7.793 13.003 ( -8.375 -23.015 2.202) 24.590 13.891 ( -5.667 -0.028 -5.868) 8.158 14.622 ( 5.951 0.709 7.539) 9.630 16.064 ( 5.541 7.266 -4.293) 10.096 17.003 ( 11.560 -1.557 -12.217) 16.891 ======================= Grid point 133 (52/155) ======================= q-point: (-0.30 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( -12.661 9.779 4.543) 16.630 0.988 ( -6.020 10.465 11.728) 16.832 1.367 ( -5.497 9.278 14.581) 18.136 1.931 ( -1.359 -0.069 0.092) 1.364 2.132 ( -3.168 2.269 6.025) 7.175 2.368 ( 3.300 2.419 1.284) 4.289 2.508 ( 5.597 2.471 1.374) 6.270 2.883 ( -2.403 4.747 -1.052) 5.424 2.986 ( 6.157 1.401 -4.147) 7.554 3.218 ( 0.096 -1.279 -2.497) 2.807 3.377 ( -3.896 6.400 -11.266) 13.530 3.477 ( -0.697 -0.270 -1.793) 1.942 3.531 ( -1.711 -2.299 -5.556) 6.251 3.932 ( 3.528 -3.271 -0.937) 4.901 3.996 ( 2.103 -3.917 10.535) 11.434 4.384 ( -2.105 -6.795 -6.387) 9.561 5.530 ( 7.263 0.591 37.387) 38.091 6.057 ( -2.578 -2.242 -14.023) 14.433 6.608 ( 1.541 -0.457 -3.438) 3.796 7.318 ( -4.065 0.151 37.399) 37.619 7.789 ( -14.341 -1.157 3.128) 14.723 9.152 ( -13.614 -0.010 10.816) 17.388 10.655 ( 5.885 -2.275 35.531) 36.087 11.296 ( -28.402 -8.076 8.050) 30.605 12.478 ( 3.393 1.773 -0.262) 3.837 13.094 ( -1.923 -16.914 -0.146) 17.024 13.805 ( -3.623 -0.035 -5.637) 6.701 14.700 ( 3.283 0.920 8.037) 8.731 16.083 ( 3.350 7.745 -3.671) 9.202 17.220 ( 10.293 -1.456 -15.846) 18.952 ======================= Grid point 134 (53/155) ======================= q-point: (-0.20 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.580 ( 0.000 10.559 7.850) 13.157 0.820 ( 0.000 15.423 8.649) 17.683 1.218 ( 0.000 12.839 26.094) 29.082 1.914 ( 0.000 0.196 1.611) 1.623 2.092 ( 0.000 0.596 4.840) 4.877 2.382 ( 0.000 1.929 0.536) 2.002 2.551 ( 0.000 2.547 0.086) 2.548 2.828 ( 0.000 2.771 -0.614) 2.838 3.052 ( 0.000 5.078 -7.621) 9.158 3.129 ( 0.000 6.772 -11.581) 13.416 3.309 ( 0.000 3.150 -7.119) 7.785 3.469 ( -0.000 -1.246 -0.555) 1.364 3.542 ( -0.000 -1.306 -6.159) 6.296 3.995 ( -0.000 -2.625 -6.531) 7.039 4.049 ( -0.000 -3.434 9.077) 9.705 4.419 ( -0.000 -8.502 -0.764) 8.536 5.605 ( 0.000 0.015 38.145) 38.145 6.049 ( -0.000 -3.115 -14.567) 14.896 6.626 ( -0.000 -0.445 -3.546) 3.573 7.299 ( -0.000 -1.950 39.700) 39.748 7.669 ( -0.000 -1.394 2.939) 3.252 9.026 ( 0.000 0.048 11.427) 11.428 10.767 ( 0.000 0.280 -7.635) 7.640 11.061 ( -0.000 -19.094 60.682) 63.615 12.506 ( 0.000 0.034 3.559) 3.559 13.198 ( -0.000 -16.600 5.852) 17.601 13.772 ( -0.000 -0.069 -5.494) 5.494 14.721 ( 0.000 0.997 7.648) 7.713 16.051 ( 0.000 7.372 -3.131) 8.009 17.338 ( -0.000 -0.207 -20.220) 20.221 ======================= Grid point 139 (54/155) ======================= q-point: ( 0.30 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( -1.795 0.000 11.628) 11.765 1.481 ( -5.288 0.000 1.251) 5.434 1.605 ( 11.158 -0.000 1.566) 11.268 1.951 ( -9.398 0.000 -1.369) 9.497 2.099 ( 5.994 -0.000 17.599) 18.591 2.255 ( -2.473 0.000 -3.011) 3.896 2.469 ( 2.487 -0.000 -5.403) 5.948 2.616 ( 1.144 -0.000 -1.859) 2.183 3.051 ( 3.491 -0.000 -4.577) 5.757 3.107 ( 3.933 -0.000 -1.032) 4.066 3.388 ( -6.548 0.000 -0.493) 6.566 3.455 ( 5.358 -0.000 20.655) 21.338 3.803 ( -3.049 0.000 5.077) 5.923 3.908 ( -4.470 0.000 1.972) 4.886 3.997 ( -1.920 0.000 3.975) 4.414 4.134 ( 1.139 -0.000 -1.610) 1.972 5.239 ( 3.904 -0.000 32.729) 32.961 6.078 ( -0.223 0.000 -11.697) 11.699 6.486 ( 1.299 -0.000 -2.165) 2.525 7.775 ( -5.849 0.000 24.112) 24.811 9.158 ( -25.712 0.000 1.896) 25.782 10.233 ( -14.871 0.000 7.936) 16.856 10.427 ( 1.436 -0.000 46.199) 46.221 11.351 ( 32.774 -0.000 -8.974) 33.980 12.505 ( -2.215 0.000 -0.008) 2.215 13.324 ( -27.889 0.000 -6.279) 28.587 14.068 ( -3.160 0.000 -5.766) 6.575 14.396 ( 5.384 -0.000 4.834) 7.235 15.978 ( 6.057 -0.000 -6.710) 9.039 16.686 ( 3.183 -0.000 -9.892) 10.391 ======================= Grid point 140 (55/155) ======================= q-point: (-0.60 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( -4.330 2.543 11.365) 12.425 1.404 ( -1.714 3.386 2.485) 4.536 1.734 ( -15.332 -2.378 -1.716) 15.610 1.806 ( 9.357 -1.038 -2.434) 9.724 2.212 ( -1.539 0.002 -0.048) 1.540 2.232 ( 7.590 -0.109 15.379) 17.150 2.516 ( 2.985 2.464 -6.301) 7.395 2.660 ( 3.429 -2.369 -1.059) 4.300 3.140 ( 7.464 4.887 -5.112) 10.282 3.150 ( 0.894 1.228 -0.885) 1.758 3.279 ( -4.352 -3.244 -0.117) 5.429 3.563 ( 4.467 -1.451 9.131) 10.268 3.734 ( -4.923 1.256 2.364) 5.604 3.788 ( -5.444 0.218 11.044) 12.315 3.938 ( -4.573 -0.741 6.339) 7.851 4.206 ( 3.952 -2.016 -6.935) 8.233 5.320 ( 5.275 0.457 33.062) 33.483 6.074 ( -0.358 -0.167 -12.534) 12.540 6.519 ( 2.259 -0.086 -2.656) 3.488 7.633 ( -9.474 0.102 27.121) 28.728 8.645 ( -30.082 -0.351 3.007) 30.234 9.888 ( -22.499 -0.060 8.185) 23.941 10.468 ( 2.992 -0.178 45.016) 45.116 11.913 ( 29.319 7.294 -12.557) 32.718 12.402 ( -12.491 -2.385 -8.171) 15.115 12.838 ( -25.103 -8.371 3.307) 26.668 13.990 ( -5.389 -0.168 -5.925) 8.011 14.512 ( 7.121 0.146 6.774) 9.829 16.084 ( 6.628 2.426 -5.981) 9.252 16.789 ( 8.030 -0.616 -10.546) 13.269 ======================= Grid point 141 (56/155) ======================= q-point: (-0.50 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( -4.008 7.046 10.545) 13.301 1.280 ( -10.542 6.785 4.214) 13.226 1.526 ( -6.961 -3.822 0.781) 7.980 1.917 ( 1.817 -1.096 -4.507) 4.982 2.216 ( 1.462 0.640 4.941) 5.192 2.348 ( 5.300 0.985 9.788) 11.175 2.524 ( 2.932 6.154 -2.816) 7.376 2.788 ( 6.662 -5.568 -1.588) 8.827 3.074 ( -4.779 4.659 0.074) 6.674 3.180 ( 1.467 0.474 -2.799) 3.195 3.390 ( 11.049 0.430 -4.398) 11.900 3.548 ( -5.651 0.400 -5.136) 7.647 3.614 ( -7.936 0.601 -3.204) 8.579 3.789 ( 3.970 -1.864 14.784) 15.421 3.886 ( -1.917 -2.867 10.732) 11.272 4.275 ( 0.971 -3.240 -10.200) 10.747 5.421 ( 6.653 0.776 34.545) 35.189 6.062 ( -1.616 -0.673 -13.671) 13.783 6.563 ( 2.324 -0.230 -3.162) 3.932 7.457 ( -9.149 0.437 32.073) 33.355 8.137 ( -25.816 -0.456 3.392) 26.042 9.479 ( -21.904 -0.091 9.420) 23.844 10.534 ( 3.931 -0.648 43.678) 43.859 11.803 ( -31.062 3.973 -8.370) 32.414 12.433 ( 11.887 1.360 -10.048) 15.624 12.701 ( -1.382 -13.397 2.279) 13.660 13.889 ( -5.626 -0.130 -5.872) 8.133 14.631 ( 6.003 0.344 8.416) 10.344 16.167 ( 5.652 4.613 -5.318) 9.029 16.973 ( 10.920 -1.596 -12.040) 16.332 ======================= Grid point 142 (57/155) ======================= q-point: (-0.40 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( -15.154 6.456 3.467) 16.833 1.146 ( -2.687 8.133 14.119) 16.514 1.491 ( 0.867 5.303 2.456) 5.908 1.925 ( -0.720 -0.566 -1.069) 1.408 2.184 ( -3.029 3.551 8.865) 10.019 2.407 ( 2.945 2.085 4.425) 5.710 2.563 ( 5.808 4.399 -0.819) 7.331 2.951 ( -1.593 1.968 0.123) 2.535 2.970 ( 5.836 -1.919 -2.718) 6.718 3.204 ( 0.558 -0.634 -2.966) 3.084 3.411 ( -9.693 -0.204 -6.796) 11.839 3.470 ( -4.777 -1.339 -2.883) 5.738 3.568 ( 8.496 5.745 -5.401) 11.591 3.878 ( 3.516 -3.071 0.287) 4.677 3.926 ( 2.002 -4.326 12.657) 13.525 4.292 ( -2.256 -4.285 -12.033) 12.971 5.539 ( 6.427 0.415 36.656) 37.217 6.026 ( -3.116 -1.477 -15.139) 15.526 6.601 ( 1.488 -0.383 -3.541) 3.860 7.326 ( -4.426 0.686 37.415) 37.682 7.770 ( -14.809 -0.972 3.375) 15.220 9.152 ( -13.515 -0.023 10.811) 17.307 10.622 ( 5.384 -1.556 39.030) 39.431 11.202 ( -31.964 -3.672 5.177) 32.588 12.504 ( 0.997 1.337 1.677) 2.365 12.893 ( 7.025 -8.422 -12.002) 16.258 13.804 ( -3.645 -0.074 -5.645) 6.721 14.712 ( 3.309 0.561 9.297) 9.884 16.203 ( 3.313 6.268 -4.786) 8.554 17.177 ( 8.776 -2.935 -14.541) 17.236 ======================= Grid point 143 (58/155) ======================= q-point: (-0.30 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( 0.000 7.915 5.904) 9.875 1.040 ( 0.000 11.038 12.709) 16.833 1.428 ( 0.000 11.222 8.415) 14.026 1.917 ( 0.000 0.166 1.513) 1.523 2.118 ( 0.000 2.833 7.957) 8.446 2.417 ( 0.000 2.156 2.767) 3.508 2.598 ( 0.000 3.203 -0.489) 3.240 2.884 ( 0.000 3.700 -0.153) 3.703 3.129 ( -0.000 -3.528 -3.097) 4.694 3.139 ( 0.000 5.167 -6.814) 8.551 3.322 ( -0.000 -3.148 -6.791) 7.485 3.443 ( -0.000 -1.870 -1.655) 2.497 3.592 ( 0.000 6.687 -5.630) 8.742 3.948 ( -0.000 -2.930 -6.780) 7.386 3.984 ( -0.000 -4.318 10.764) 11.598 4.301 ( -0.000 -5.730 -8.884) 10.572 5.606 ( 0.000 0.037 38.507) 38.507 6.004 ( -0.000 -2.268 -16.294) 16.451 6.618 ( -0.000 -0.475 -3.671) 3.702 7.287 ( 0.000 0.180 39.935) 39.936 7.645 ( -0.000 -1.414 3.202) 3.500 9.026 ( 0.000 0.048 11.418) 11.418 10.771 ( 0.000 0.280 -7.644) 7.649 10.841 ( -0.000 -8.630 59.612) 60.233 12.506 ( 0.000 0.033 3.551) 3.552 13.017 ( -0.000 -7.172 -11.707) 13.729 13.771 ( -0.000 -0.070 -5.487) 5.487 14.737 ( 0.000 0.779 9.178) 9.211 16.177 ( 0.000 7.323 -4.269) 8.476 17.294 ( -0.000 -3.866 -16.790) 17.229 ======================= Grid point 150 (59/155) ======================= q-point: (-0.60 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( -5.469 0.000 14.123) 15.145 1.397 ( -18.731 0.000 2.121) 18.851 1.456 ( 4.368 -0.000 -2.108) 4.850 1.907 ( 2.065 -0.000 -5.130) 5.530 2.221 ( 2.182 -0.000 5.214) 5.652 2.356 ( 5.785 -0.000 10.394) 11.895 2.605 ( 4.430 -0.000 -5.952) 7.420 2.713 ( 5.138 -0.000 0.672) 5.182 3.116 ( -6.141 0.000 1.199) 6.257 3.184 ( -0.215 0.000 -2.853) 2.861 3.394 ( 14.361 -0.000 -5.375) 15.334 3.550 ( -4.991 0.000 -6.422) 8.134 3.623 ( -8.975 0.000 -3.796) 9.745 3.775 ( 4.542 -0.000 19.526) 20.047 3.858 ( -3.323 0.000 9.796) 10.345 4.247 ( 1.215 -0.000 -11.075) 11.142 5.428 ( 6.473 -0.000 34.022) 34.632 6.056 ( -1.776 0.000 -13.838) 13.952 6.561 ( 2.296 -0.000 -3.189) 3.929 7.461 ( -9.014 0.000 32.195) 33.434 8.133 ( -25.867 0.000 3.487) 26.101 9.478 ( -21.879 0.000 9.408) 23.816 10.529 ( 3.772 -0.000 43.474) 43.638 11.839 ( -39.829 0.000 -7.642) 40.555 12.454 ( 24.162 -0.000 -17.007) 29.547 12.578 ( -4.824 0.000 7.597) 8.999 13.888 ( -5.575 0.000 -5.859) 8.088 14.634 ( 6.010 -0.000 8.696) 10.571 16.206 ( 5.631 -0.000 -5.716) 8.024 16.959 ( 10.629 -0.000 -11.926) 15.975 ======================= Grid point 152 (60/155) ======================= q-point: (-0.50 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( -16.337 2.211 3.031) 16.763 1.243 ( -2.434 3.206 17.496) 17.953 1.544 ( 4.527 1.343 -5.789) 7.471 1.917 ( -0.038 -0.305 -1.601) 1.630 2.231 ( -1.262 1.641 10.064) 10.275 2.431 ( 2.901 0.751 6.593) 7.242 2.650 ( 4.011 5.113 -2.951) 7.137 2.875 ( 9.003 -5.347 -1.102) 10.529 3.007 ( -4.350 1.744 0.665) 4.734 3.194 ( 0.965 -0.412 -3.502) 3.656 3.419 ( -10.292 1.128 -5.948) 11.941 3.445 ( -6.234 -1.562 -3.956) 7.547 3.655 ( 12.117 3.812 -4.267) 13.400 3.832 ( 0.473 -2.332 7.455) 7.825 3.868 ( 3.169 -2.021 9.376) 10.101 4.244 ( -2.079 -1.475 -15.722) 15.927 5.543 ( 5.990 0.144 36.177) 36.670 6.009 ( -3.408 -0.512 -15.854) 16.224 6.596 ( 1.453 -0.148 -3.576) 3.862 7.335 ( -4.448 0.338 37.493) 37.757 7.759 ( -15.083 -0.378 3.505) 15.490 9.152 ( -13.444 -0.011 10.798) 17.243 10.605 ( 4.914 -0.533 40.187) 40.490 11.165 ( -32.493 -1.034 3.359) 32.682 12.521 ( -1.398 0.604 4.124) 4.396 12.801 ( 12.131 -2.808 -18.658) 22.432 13.803 ( -3.609 -0.041 -5.638) 6.694 14.718 ( 3.306 0.163 9.893) 10.432 16.277 ( 3.247 2.393 -5.473) 6.799 17.140 ( 8.056 -1.267 -13.840) 16.064 ======================= Grid point 153 (61/155) ======================= q-point: (-0.40 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( 0.000 4.113 4.955) 6.439 1.183 ( 0.000 6.055 17.001) 18.047 1.562 ( 0.000 4.836 -5.684) 7.463 1.919 ( 0.000 0.088 1.430) 1.433 2.180 ( 0.000 3.958 11.865) 12.508 2.448 ( 0.000 1.440 4.862) 5.071 2.658 ( 0.000 4.019 -1.635) 4.339 2.941 ( 0.000 2.865 0.686) 2.946 3.048 ( -0.000 -5.770 -1.931) 6.085 3.214 ( 0.000 3.653 -6.170) 7.170 3.259 ( -0.000 -3.127 -6.021) 6.785 3.410 ( -0.000 -1.948 -2.932) 3.520 3.710 ( 0.000 6.881 2.468) 7.310 3.905 ( -0.000 -2.011 -7.055) 7.336 3.906 ( -0.000 -5.069 11.585) 12.645 4.230 ( -0.000 -2.846 -16.894) 17.132 5.606 ( 0.000 0.035 38.818) 38.818 5.975 ( -0.000 -1.209 -17.976) 18.017 6.612 ( -0.000 -0.301 -3.715) 3.728 7.295 ( 0.000 0.523 39.814) 39.818 7.626 ( -0.000 -0.884 3.413) 3.526 9.027 ( 0.000 0.030 11.410) 11.410 10.746 ( -0.000 -3.357 56.037) 56.137 10.775 ( 0.000 0.173 -7.651) 7.653 12.507 ( 0.000 0.020 3.545) 3.545 12.933 ( -0.000 -3.302 -18.655) 18.945 13.770 ( -0.000 -0.043 -5.482) 5.482 14.746 ( 0.000 0.345 10.123) 10.129 16.278 ( 0.000 4.508 -5.183) 6.869 17.235 ( -0.000 -2.791 -15.165) 15.420 ======================= Grid point 163 (62/155) ======================= q-point: ( 0.50 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 142 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( 0.000 0.000 4.664) 4.664 1.234 ( 0.000 0.000 19.027) 19.027 1.599 ( 0.000 0.000 -10.897) 10.897 1.920 ( 0.000 0.000 1.397) 1.397 2.219 ( 0.000 0.000 13.196) 13.196 2.460 ( 0.000 0.000 5.739) 5.739 2.705 ( 0.000 0.000 -2.473) 2.473 2.967 ( 0.000 0.000 1.173) 1.173 2.983 ( -0.000 -0.000 -1.528) 1.528 3.233 ( 0.000 0.000 -5.953) 5.953 3.248 ( 0.000 0.000 -5.870) 5.870 3.390 ( 0.000 0.000 -3.615) 3.615 3.811 ( 0.000 0.000 10.853) 10.853 3.820 ( -0.000 -0.000 7.367) 7.367 3.887 ( 0.000 0.000 -7.189) 7.189 4.206 ( 0.000 0.000 -20.216) 20.216 5.607 ( 0.000 0.000 38.940) 38.940 5.965 ( 0.000 0.000 -18.655) 18.655 6.609 ( 0.000 0.000 -3.721) 3.721 7.300 ( 0.000 0.000 39.781) 39.781 7.618 ( 0.000 0.000 3.493) 3.493 9.027 ( 0.000 0.000 11.407) 11.407 10.720 ( 0.000 0.000 54.695) 54.695 10.777 ( 0.000 0.000 -7.653) 7.653 12.507 ( 0.000 0.000 3.543) 3.543 12.906 ( 0.000 0.000 -20.568) 20.568 13.769 ( 0.000 0.000 -5.480) 5.480 14.749 ( 0.000 0.000 10.404) 10.404 16.317 ( 0.000 0.000 -5.532) 5.532 17.211 ( 0.000 0.000 -14.654) 14.654 ======================= Grid point 210 (63/155) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.626 ( 0.000 0.000 15.669) 15.669 0.732 ( 0.000 0.000 16.018) 16.018 1.731 ( 0.000 0.000 26.035) 26.035 1.944 ( 0.000 0.000 0.777) 0.777 2.186 ( 0.000 0.000 5.090) 5.090 2.193 ( 0.000 0.000 -8.229) 8.229 2.582 ( 0.000 0.000 5.148) 5.148 2.703 ( 0.000 0.000 10.061) 10.061 2.712 ( 0.000 0.000 -12.971) 12.971 2.772 ( 0.000 0.000 -1.312) 1.312 3.269 ( 0.000 0.000 -2.437) 2.437 3.498 ( 0.000 0.000 -4.652) 4.652 3.508 ( 0.000 0.000 1.443) 1.443 3.904 ( 0.000 0.000 -6.924) 6.924 4.286 ( 0.000 0.000 9.055) 9.055 4.682 ( 0.000 0.000 1.235) 1.235 5.865 ( 0.000 0.000 -10.069) 10.069 6.524 ( 0.000 0.000 47.890) 47.890 6.529 ( 0.000 0.000 -7.179) 7.179 7.793 ( 0.000 0.000 6.866) 6.866 8.118 ( 0.000 0.000 37.444) 37.444 9.314 ( 0.000 0.000 15.578) 15.578 10.552 ( 0.000 0.000 -12.260) 12.260 11.484 ( 0.000 0.000 -18.347) 18.347 12.603 ( 0.000 0.000 5.835) 5.835 13.614 ( 0.000 0.000 -9.735) 9.735 14.839 ( 0.000 0.000 8.829) 8.829 14.853 ( 0.000 0.000 16.204) 16.204 15.851 ( 0.000 0.000 -4.014) 4.014 16.738 ( 0.000 0.000 -10.928) 10.928 ======================= Grid point 211 (64/155) ======================= q-point: ( 0.10 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( 6.978 -1.180 14.031) 15.715 0.891 ( 19.920 -3.734 11.049) 23.083 1.741 ( 1.835 0.159 21.928) 22.006 1.949 ( 0.435 -0.442 1.054) 1.223 2.183 ( 0.316 -0.117 3.079) 3.097 2.204 ( 0.296 -1.523 -4.522) 4.781 2.607 ( 1.109 -1.813 5.599) 5.989 2.686 ( -2.417 -1.939 8.688) 9.224 2.775 ( 5.189 -1.204 -8.181) 9.763 2.935 ( 13.673 -2.810 -4.895) 14.792 3.227 ( -3.786 0.858 -2.342) 4.533 3.486 ( 0.483 1.105 -2.797) 3.046 3.538 ( 2.847 1.075 -1.515) 3.400 3.881 ( -2.108 0.592 -7.004) 7.338 4.261 ( -2.381 0.389 9.008) 9.326 4.642 ( -2.503 3.513 1.327) 4.513 5.864 ( 0.421 0.989 -8.910) 8.974 6.495 ( -3.368 -0.022 48.527) 48.644 6.519 ( -1.012 0.095 -5.523) 5.616 7.913 ( 13.341 0.284 6.953) 15.047 8.094 ( -0.870 -0.115 37.053) 37.063 9.425 ( 12.007 -0.034 14.713) 18.990 10.789 ( 23.141 0.131 -9.105) 24.868 11.437 ( -6.148 -2.269 -16.628) 17.872 12.550 ( -5.301 0.085 10.002) 11.320 13.645 ( 3.278 -0.001 -9.778) 10.313 14.573 ( -15.086 22.442 19.168) 33.146 14.816 ( -4.075 -1.831 8.814) 9.881 15.834 ( -2.454 -1.606 -4.078) 5.023 16.734 ( -3.474 -4.649 -12.968) 14.207 ======================= Grid point 212 (65/155) ======================= q-point: ( 0.20 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( 8.835 -2.993 10.574) 14.100 1.251 ( 15.239 -2.698 8.321) 17.571 1.801 ( 5.595 2.516 10.337) 12.020 1.957 ( -0.394 -0.455 1.329) 1.458 2.186 ( -0.580 -0.858 0.754) 1.281 2.259 ( 4.367 -2.068 -0.498) 4.857 2.601 ( -2.835 0.482 13.368) 13.674 2.699 ( 1.580 -4.458 0.737) 4.787 2.843 ( -0.487 -1.001 -0.906) 1.435 3.093 ( -3.844 -0.075 -3.033) 4.897 3.237 ( 9.747 -1.991 -2.923) 10.369 3.512 ( 3.438 1.497 -2.177) 4.336 3.596 ( 5.703 2.110 -3.832) 7.187 3.835 ( -2.194 -0.276 -7.418) 7.741 4.207 ( -3.058 -0.036 9.253) 9.745 4.552 ( -3.213 5.030 1.681) 6.201 5.866 ( 0.943 1.465 -6.894) 7.111 6.408 ( -6.016 -0.351 52.136) 52.483 6.493 ( -1.654 0.148 -4.269) 4.581 8.125 ( 4.819 -0.112 33.769) 34.111 8.258 ( 23.893 -0.193 6.990) 24.895 9.719 ( 19.927 -0.079 12.782) 23.674 11.235 ( 22.920 -0.169 4.304) 23.321 11.309 ( -10.470 -4.494 -10.675) 15.614 12.449 ( -4.270 0.704 13.609) 14.280 13.724 ( 5.276 -0.095 -9.873) 11.195 14.108 ( -12.909 23.708 12.588) 29.786 14.733 ( -6.942 -1.994 8.214) 10.938 15.793 ( -3.940 -2.343 -4.664) 6.539 16.672 ( -6.499 -2.296 -14.956) 16.467 ======================= Grid point 213 (66/155) ======================= q-point: ( 0.30 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( 9.317 -3.558 7.734) 12.620 1.469 ( 7.416 -2.234 8.142) 11.238 1.879 ( 4.549 2.763 1.494) 5.527 1.932 ( -1.145 1.994 0.967) 2.495 2.183 ( -0.109 -0.152 -2.209) 2.217 2.340 ( 0.564 -1.353 -2.928) 3.274 2.551 ( -1.062 0.125 17.581) 17.614 2.757 ( -7.275 1.513 0.657) 7.460 2.782 ( 3.375 -2.582 -0.848) 4.333 3.024 ( -2.820 -2.074 -1.413) 3.774 3.397 ( 6.358 0.432 0.420) 6.387 3.553 ( 1.433 0.080 -1.010) 1.755 3.712 ( 7.515 1.420 -3.963) 8.614 3.827 ( 0.931 -1.349 -6.548) 6.750 4.165 ( -1.833 -1.242 10.153) 10.392 4.453 ( -3.191 4.846 3.225) 6.639 5.871 ( 0.923 1.441 -6.163) 6.397 6.305 ( -5.547 -0.719 55.180) 55.463 6.461 ( -1.678 0.121 -2.560) 3.063 8.233 ( 6.359 -0.225 31.030) 31.676 8.746 ( 29.112 0.058 4.362) 29.438 10.099 ( 21.097 -0.168 10.944) 23.768 11.115 ( -15.068 -5.987 -10.375) 19.249 11.559 ( 10.652 -1.030 37.921) 39.402 12.427 ( 3.172 1.371 5.307) 6.333 13.757 ( -6.376 18.454 -1.031) 19.552 13.825 ( 5.362 -0.174 -9.907) 11.266 14.609 ( -8.215 -1.785 7.261) 11.108 15.736 ( -4.449 -2.377 -5.804) 7.690 16.556 ( -6.833 0.285 -16.040) 17.437 ======================= Grid point 214 (67/155) ======================= q-point: ( 0.40 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( 8.971 -3.886 5.430) 11.183 1.569 ( 2.680 -0.402 6.556) 7.094 1.820 ( -5.852 2.105 5.830) 8.525 1.980 ( 5.665 1.953 -3.242) 6.813 2.186 ( 0.366 0.128 -4.482) 4.499 2.286 ( -5.482 -0.334 -2.655) 6.100 2.559 ( 1.198 0.874 13.683) 13.764 2.608 ( -6.092 1.708 0.611) 6.356 2.855 ( 2.678 -0.505 -1.840) 3.288 3.028 ( 0.127 -2.858 -1.597) 3.277 3.469 ( 3.189 1.998 1.186) 3.946 3.567 ( -0.117 -1.111 -2.806) 3.020 3.798 ( 2.353 -1.358 -2.090) 3.428 3.878 ( 3.033 0.995 -1.766) 3.648 4.175 ( 1.233 -2.811 10.176) 10.629 4.359 ( -3.221 4.009 6.603) 8.369 5.873 ( 0.400 0.929 -6.712) 6.787 6.233 ( -2.969 -0.609 56.852) 56.933 6.435 ( -1.052 0.042 -0.756) 1.297 8.332 ( 4.112 -0.050 28.965) 29.255 9.235 ( 23.542 0.579 0.353) 23.552 10.434 ( 15.286 -0.292 8.925) 17.703 10.876 ( -16.058 -4.847 -5.906) 17.782 11.656 ( 1.239 -0.570 61.513) 61.528 12.506 ( 4.873 0.628 -0.466) 4.936 13.571 ( -1.118 10.568 -12.206) 16.184 13.911 ( 3.609 -0.280 -10.014) 10.648 14.487 ( -6.076 -1.055 6.105) 8.678 15.682 ( -3.149 -1.588 -7.138) 7.962 16.445 ( -4.422 0.947 -16.607) 17.212 ======================= Grid point 215 (68/155) ======================= q-point: (-0.50 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( 0.000 -0.000 2.520) 2.520 1.574 ( 0.000 -0.000 5.724) 5.724 1.732 ( 0.000 0.000 9.376) 9.376 2.039 ( 0.000 -0.000 -3.865) 3.865 2.187 ( 0.000 -0.000 -5.806) 5.806 2.220 ( 0.000 -0.000 -1.305) 1.305 2.542 ( 0.000 -0.000 -0.140) 0.140 2.566 ( 0.000 -0.000 11.945) 11.945 2.882 ( 0.000 -0.000 -1.887) 1.887 3.045 ( 0.000 -0.000 -2.351) 2.351 3.488 ( 0.000 0.000 0.859) 0.859 3.570 ( 0.000 -0.000 -4.180) 4.180 3.827 ( 0.000 -0.000 -0.762) 0.762 3.897 ( 0.000 0.000 0.867) 0.867 4.226 ( 0.000 -0.000 6.953) 6.953 4.290 ( 0.000 0.000 11.113) 11.113 5.873 ( 0.000 -0.000 -7.051) 7.051 6.209 ( 0.000 -0.000 57.219) 57.219 6.425 ( 0.000 -0.000 0.072) 0.072 8.370 ( 0.000 -0.000 28.265) 28.265 9.470 ( 0.000 -0.000 -2.447) 2.447 10.652 ( -0.000 -0.000 17.169) 17.169 10.656 ( 0.000 0.000 -11.968) 11.968 11.663 ( 0.000 -0.000 67.685) 67.685 12.550 ( 0.000 -0.000 0.161) 0.161 13.522 ( 0.000 -0.000 -16.450) 16.450 13.947 ( 0.000 -0.000 -10.023) 10.023 14.433 ( 0.000 -0.000 5.539) 5.539 15.659 ( 0.000 -0.000 -7.781) 7.781 16.399 ( 0.000 -0.000 -16.773) 16.773 ======================= Grid point 222 (69/155) ======================= q-point: ( 0.10 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( 9.157 -0.000 11.521) 14.717 1.227 ( 15.982 -0.000 8.959) 18.322 1.827 ( 7.123 -0.000 11.831) 13.810 1.948 ( -0.425 0.000 1.694) 1.746 2.179 ( -0.130 0.000 1.156) 1.163 2.241 ( 4.140 -0.000 -1.776) 4.505 2.612 ( -4.332 0.000 13.170) 13.864 2.654 ( 4.245 -0.000 3.058) 5.231 2.835 ( 0.407 -0.000 -1.897) 1.941 3.092 ( -2.551 0.000 -3.154) 4.056 3.220 ( 9.135 -0.000 -2.907) 9.586 3.524 ( 2.759 -0.000 -0.821) 2.879 3.617 ( 6.006 -0.000 -4.719) 7.638 3.832 ( -3.125 0.000 -7.485) 8.112 4.207 ( -3.475 0.000 8.738) 9.403 4.595 ( -3.983 0.000 1.227) 4.167 5.879 ( 0.750 -0.000 -7.121) 7.161 6.405 ( -6.155 0.000 54.069) 54.418 6.494 ( -1.682 0.000 -5.961) 6.194 8.124 ( 4.464 -0.000 33.985) 34.277 8.256 ( 24.180 -0.000 6.366) 25.004 9.719 ( 19.909 -0.000 12.734) 23.633 11.236 ( 23.293 -0.000 7.455) 24.457 11.269 ( -11.270 0.000 -14.772) 18.580 12.455 ( -4.039 0.000 13.683) 14.267 13.723 ( 5.210 -0.000 -9.837) 11.131 14.322 ( -19.393 0.000 9.241) 21.482 14.714 ( -6.521 0.000 7.723) 10.108 15.776 ( -3.308 0.000 -4.777) 5.811 16.645 ( -4.726 0.000 -12.687) 13.539 ======================= Grid point 223 (70/155) ======================= q-point: ( 0.20 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( 9.692 -1.192 8.729) 13.098 1.444 ( 8.572 -0.807 8.720) 12.254 1.917 ( -0.614 1.544 2.557) 3.050 1.951 ( 3.836 0.357 0.265) 3.862 2.181 ( 0.226 -0.077 -1.964) 1.979 2.320 ( 1.730 -0.766 -3.093) 3.626 2.554 ( -0.561 0.167 19.103) 19.112 2.752 ( 5.240 -1.025 1.465) 5.537 2.776 ( -5.530 0.681 0.379) 5.585 2.999 ( -4.920 -0.807 -1.576) 5.229 3.395 ( 7.856 -0.315 0.838) 7.907 3.556 ( 0.607 0.177 0.173) 0.655 3.746 ( 7.076 2.337 -4.988) 8.967 3.798 ( 0.416 -2.040 -7.331) 7.621 4.150 ( -2.693 -0.491 9.080) 9.484 4.511 ( -4.365 1.896 2.418) 5.338 5.889 ( 0.558 0.573 -6.622) 6.671 6.297 ( -5.531 -0.260 57.975) 58.239 6.462 ( -1.800 0.019 -4.639) 4.976 8.231 ( 6.544 -0.027 30.745) 31.434 8.746 ( 29.289 -0.035 4.270) 29.598 10.096 ( 20.995 -0.090 10.714) 23.571 11.046 ( -14.279 -2.178 -10.414) 17.807 11.546 ( 10.516 -0.401 37.618) 39.062 12.441 ( 2.829 0.402 6.071) 6.710 13.821 ( 5.305 -0.143 -9.857) 11.195 13.980 ( -14.097 7.322 -2.488) 16.079 14.587 ( -7.619 -0.739 6.646) 10.138 15.717 ( -3.244 -0.240 -6.256) 7.051 16.553 ( -5.763 -0.362 -14.550) 15.654 ======================= Grid point 224 (71/155) ======================= q-point: ( 0.30 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( 9.341 -2.150 6.221) 11.427 1.566 ( 4.782 -0.043 7.302) 8.728 1.844 ( -5.684 0.953 4.857) 7.537 2.009 ( 3.206 1.328 -3.533) 4.952 2.187 ( 0.394 0.029 -4.315) 4.333 2.278 ( -5.014 -0.471 -1.849) 5.364 2.574 ( 1.089 0.775 15.724) 15.780 2.639 ( -6.527 1.834 -0.009) 6.780 2.857 ( 4.624 0.747 -0.680) 4.733 2.974 ( 0.291 -3.401 -1.481) 3.721 3.495 ( 3.478 1.186 2.485) 4.437 3.549 ( -0.856 -0.951 -1.132) 1.708 3.785 ( 1.786 -0.229 -5.076) 5.386 3.891 ( 4.413 0.512 -1.993) 4.869 4.133 ( 0.099 -1.972 9.917) 10.111 4.415 ( -4.163 2.523 5.337) 7.224 5.887 ( -0.258 0.609 -7.297) 7.327 6.226 ( -2.468 -0.270 59.940) 59.991 6.434 ( -1.257 -0.117 -2.964) 3.222 8.332 ( 4.269 0.069 28.801) 29.115 9.240 ( 23.464 0.101 0.252) 23.466 10.430 ( 15.399 -0.222 8.077) 17.390 10.814 ( -13.034 -2.550 -4.308) 13.962 11.644 ( 1.424 -0.714 59.882) 59.903 12.514 ( 4.180 0.317 0.636) 4.240 13.711 ( -9.968 5.950 -11.916) 16.636 13.905 ( 3.541 -0.380 -9.888) 10.510 14.472 ( -5.234 -0.670 5.706) 7.772 15.674 ( -1.214 0.359 -7.776) 7.878 16.456 ( -4.668 0.316 -16.017) 16.686 ======================= Grid point 225 (72/155) ======================= q-point: ( 0.40 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( 6.149 -1.860 3.066) 7.118 1.603 ( -0.381 2.533 5.985) 6.510 1.731 ( -3.892 -0.057 8.409) 9.266 2.031 ( -1.965 -0.949 -4.112) 4.656 2.188 ( -0.226 0.086 -5.496) 5.502 2.221 ( 0.351 0.111 -0.781) 0.864 2.550 ( -1.347 0.876 0.946) 1.864 2.568 ( -0.842 0.216 10.596) 10.631 2.891 ( 0.433 1.116 -2.185) 2.492 3.030 ( 2.308 -1.723 -2.382) 3.737 3.483 ( -2.838 -0.452 0.156) 2.878 3.575 ( 1.920 0.349 -2.131) 2.889 3.824 ( 1.900 -0.097 -2.000) 2.760 3.909 ( -1.077 1.119 0.840) 1.766 4.183 ( 2.060 -3.416 8.415) 9.313 4.325 ( -3.141 2.655 9.677) 10.515 5.873 ( -0.863 0.027 -6.853) 6.907 6.212 ( 0.776 0.268 58.375) 58.381 6.422 ( -0.208 -0.308 -1.253) 1.307 8.371 ( 0.083 0.136 28.285) 28.285 9.464 ( -1.497 -0.639 -2.222) 2.754 10.641 ( -8.367 -0.525 8.073) 11.639 10.676 ( 14.588 1.445 -3.124) 14.988 11.655 ( -0.223 -0.900 67.165) 67.171 12.550 ( -0.388 -0.001 0.264) 0.469 13.513 ( -10.048 -0.927 -15.440) 18.445 13.943 ( 0.059 -0.423 -9.983) 9.992 14.433 ( 0.974 0.026 5.541) 5.626 15.675 ( 2.413 1.752 -8.417) 8.930 16.399 ( -1.080 -0.029 -16.713) 16.748 ======================= Grid point 226 (73/155) ======================= q-point: (-0.50 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( -7.771 4.466 4.100) 9.856 1.583 ( -0.285 1.464 6.049) 6.230 1.774 ( 5.198 -3.284 6.663) 9.066 1.947 ( -7.553 -2.048 -2.981) 8.374 2.183 ( -0.342 -0.154 -4.424) 4.440 2.288 ( 5.487 -0.097 -3.084) 6.295 2.549 ( -0.762 -0.220 12.717) 12.742 2.586 ( 4.806 -0.924 -0.069) 4.894 2.871 ( -1.180 1.276 -3.644) 4.037 3.064 ( 1.252 1.399 -2.145) 2.850 3.431 ( -4.160 -2.417 0.032) 4.812 3.585 ( -0.196 1.007 -3.240) 3.399 3.828 ( -2.369 2.141 -0.368) 3.214 3.864 ( -1.904 -0.444 -1.430) 2.422 4.208 ( -1.579 0.176 8.721) 8.864 4.299 ( 1.399 -2.151 9.884) 10.212 5.858 ( -1.173 -0.866 -5.855) 6.034 6.246 ( 3.484 0.877 55.226) 55.342 6.432 ( 0.876 -0.386 -0.308) 1.005 8.334 ( -3.891 0.229 29.190) 29.449 9.221 ( -23.300 -0.998 0.731) 23.333 10.438 ( -15.292 0.188 9.861) 18.197 10.969 ( 19.990 6.133 -8.160) 22.445 11.657 ( -0.734 -0.572 63.192) 63.199 12.494 ( -6.187 -0.846 -2.062) 6.577 13.384 ( -8.861 -11.156 -10.966) 17.979 13.912 ( -3.580 -0.166 -10.090) 10.707 14.505 ( 6.959 0.976 6.538) 9.599 15.726 ( 5.296 3.423 -7.710) 9.960 16.427 ( 3.667 -1.140 -16.972) 17.401 ======================= Grid point 227 (74/155) ======================= q-point: (-0.40 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( -8.272 5.642 5.892) 11.618 1.515 ( -5.640 3.285 7.427) 9.887 1.828 ( -7.481 -3.478 0.368) 8.258 1.889 ( 3.676 -2.997 1.925) 5.119 2.186 ( 0.841 0.276 -2.183) 2.355 2.359 ( 1.239 0.946 -3.498) 3.829 2.551 ( 1.654 0.175 15.728) 15.815 2.726 ( 8.367 -2.239 0.457) 8.673 2.836 ( -0.389 3.841 -4.070) 5.610 3.063 ( 1.163 2.434 -1.578) 3.125 3.372 ( -5.016 -2.601 -0.705) 5.694 3.555 ( -2.592 0.208 -2.327) 3.489 3.706 ( -8.787 0.634 -1.968) 9.027 3.846 ( -0.467 1.106 -5.438) 5.569 4.186 ( 0.380 0.893 11.048) 11.091 4.362 ( 1.449 -5.605 5.020) 7.663 5.845 ( -1.512 -1.696 -5.473) 5.926 6.320 ( 5.532 1.034 51.896) 52.200 6.457 ( 1.557 -0.360 -0.381) 1.643 8.239 ( -5.966 0.531 31.478) 32.042 8.743 ( -28.765 -0.312 4.577) 29.129 10.101 ( -21.245 0.095 11.289) 24.058 11.237 ( 16.239 8.577 -9.281) 20.577 11.578 ( -10.310 1.215 37.646) 39.051 12.392 ( -4.355 -2.987 3.541) 6.359 13.413 ( -2.716 -21.401 1.087) 21.600 13.828 ( -5.557 0.048 -10.081) 11.511 14.641 ( 8.931 1.904 8.077) 12.191 15.796 ( 6.047 4.649 -6.372) 9.939 16.540 ( 7.293 -1.541 -17.274) 18.814 ======================= Grid point 228 (75/155) ======================= q-point: (-0.30 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( -7.725 6.137 8.042) 12.729 1.310 ( -13.706 4.218 6.746) 15.848 1.756 ( -3.427 -2.712 8.698) 9.734 1.948 ( 0.893 -1.619 0.246) 1.865 2.207 ( 2.200 1.697 -0.263) 2.791 2.306 ( -3.747 3.484 0.755) 5.172 2.601 ( 3.201 0.325 13.539) 13.916 2.790 ( 0.219 6.484 -3.065) 7.175 2.860 ( 3.576 0.567 0.485) 3.653 3.094 ( 3.857 0.245 -3.018) 4.903 3.274 ( -7.635 1.694 -3.132) 8.424 3.477 ( -6.282 -2.145 -4.958) 8.285 3.563 ( -5.697 -1.644 -2.001) 6.258 3.838 ( 0.491 0.101 -7.078) 7.096 4.206 ( 1.979 -0.198 10.438) 10.625 4.442 ( 1.400 -7.702 2.712) 8.285 5.834 ( -1.425 -2.277 -6.397) 6.938 6.416 ( 5.636 0.619 47.144) 47.484 6.490 ( 1.644 -0.280 0.134) 1.673 8.131 ( -5.310 0.682 33.510) 33.935 8.260 ( -23.447 -0.002 8.204) 24.841 9.721 ( -19.961 0.051 12.911) 23.772 11.242 ( -24.614 0.591 4.141) 24.966 11.410 ( 10.857 7.555 -7.780) 15.345 12.429 ( 5.051 -1.935 13.435) 14.483 13.632 ( 2.597 -30.956 16.242) 35.055 13.726 ( -5.421 0.031 -9.907) 11.294 14.772 ( 7.420 2.602 9.267) 12.153 15.857 ( 5.084 5.146 -5.283) 8.958 16.693 ( 8.338 -0.142 -17.926) 19.771 ======================= Grid point 229 (76/155) ======================= q-point: (-0.20 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( -8.069 5.223 11.445) 14.946 0.990 ( -14.386 7.501 8.838) 18.476 1.737 ( -0.505 -0.401 17.891) 17.902 1.954 ( -0.775 -0.168 0.773) 1.108 2.204 ( -1.439 2.649 4.695) 5.579 2.243 ( 1.467 3.233 -4.043) 5.381 2.641 ( 2.218 1.846 10.843) 11.220 2.747 ( 0.371 4.831 -2.487) 5.446 2.827 ( -2.755 5.206 -3.394) 6.798 3.018 ( -12.335 6.840 -6.486) 15.524 3.201 ( 3.228 -2.122 -2.578) 4.644 3.445 ( -0.723 -3.954 -5.249) 6.611 3.510 ( -2.656 -2.056 -0.110) 3.361 3.862 ( 1.129 -1.644 -7.159) 7.432 4.248 ( 1.794 -1.087 9.544) 9.772 4.537 ( 1.426 -8.562 2.467) 9.024 5.834 ( -0.706 -2.463 -8.315) 8.701 6.495 ( 3.073 -0.022 36.097) 36.227 6.517 ( 1.079 -0.111 6.776) 6.863 7.905 ( -13.399 -0.654 7.404) 15.323 8.100 ( 0.184 0.612 38.064) 38.069 9.426 ( -12.028 0.059 14.743) 19.027 10.786 ( -22.923 -0.173 -9.626) 24.863 11.505 ( 5.849 5.720 -10.738) 13.499 12.546 ( 5.685 -0.337 9.851) 11.379 13.645 ( -3.334 -0.014 -9.785) 10.338 14.006 ( 5.363 -40.513 30.165) 50.794 14.855 ( 4.123 2.756 9.767) 10.954 15.889 ( 3.012 4.826 -4.707) 7.384 16.815 ( 5.960 3.237 -18.751) 19.940 ======================= Grid point 230 (77/155) ======================= q-point: (-0.10 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.676 ( 0.000 5.557 14.378) 15.415 0.798 ( 0.000 7.594 13.068) 15.114 1.735 ( 0.000 0.412 23.864) 23.867 1.943 ( -0.000 -0.019 0.672) 0.672 2.178 ( 0.000 0.487 2.011) 2.069 2.235 ( 0.000 3.570 -3.764) 5.188 2.642 ( 0.000 4.879 8.106) 9.462 2.722 ( 0.000 1.481 -10.131) 10.238 2.750 ( 0.000 6.972 3.120) 7.638 2.809 ( 0.000 4.141 -3.528) 5.440 3.253 ( -0.000 -1.809 -2.631) 3.193 3.474 ( -0.000 -2.878 -4.815) 5.609 3.497 ( -0.000 -1.278 1.148) 1.718 3.890 ( -0.000 -1.711 -7.037) 7.242 4.276 ( -0.000 -1.111 9.216) 9.282 4.620 ( -0.000 -7.138 2.140) 7.452 5.847 ( -0.000 -2.015 -9.619) 9.828 6.525 ( -0.000 -0.423 -7.203) 7.215 6.525 ( 0.000 0.179 47.931) 47.931 7.788 ( -0.000 -0.592 6.995) 7.020 8.114 ( -0.000 -0.228 38.625) 38.626 9.314 ( 0.000 0.034 15.584) 15.584 10.553 ( 0.000 0.159 -12.270) 12.271 11.519 ( 0.000 4.040 -14.857) 15.396 12.603 ( 0.000 0.018 5.835) 5.835 13.614 ( -0.000 -0.033 -9.729) 9.729 14.426 ( -0.000 -42.025 29.932) 51.595 14.872 ( 0.000 2.132 9.709) 9.941 15.881 ( 0.000 3.613 -4.396) 5.690 16.828 ( 0.000 6.991 -17.351) 18.706 ======================= Grid point 233 (78/155) ======================= q-point: ( 0.20 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( 9.420 -0.000 6.493) 11.441 1.566 ( 5.589 -0.000 7.593) 9.428 1.852 ( -5.563 0.000 4.567) 7.198 2.020 ( 2.064 -0.000 -3.803) 4.327 2.187 ( 0.411 -0.000 -4.212) 4.232 2.274 ( -4.681 0.000 -1.455) 4.902 2.581 ( 0.820 -0.000 16.574) 16.594 2.657 ( -6.417 0.000 -0.095) 6.417 2.871 ( 6.942 -0.000 -0.298) 6.948 2.936 ( -1.291 0.000 -1.634) 2.082 3.506 ( 4.925 -0.000 3.044) 5.790 3.540 ( -2.358 0.000 -0.298) 2.377 3.785 ( 1.430 -0.000 -6.565) 6.719 3.895 ( 5.144 -0.000 -1.885) 5.478 4.116 ( -0.456 0.000 9.617) 9.628 4.436 ( -4.536 0.000 4.940) 6.707 5.892 ( -0.520 0.000 -7.488) 7.506 6.224 ( -2.247 0.000 61.503) 61.544 6.433 ( -1.357 0.000 -4.217) 4.430 8.333 ( 4.319 -0.000 28.740) 29.063 9.241 ( 23.364 -0.000 0.275) 23.366 10.428 ( 15.491 -0.000 7.739) 17.317 10.792 ( -11.865 0.000 -3.720) 12.435 11.637 ( 1.413 -0.000 59.192) 59.209 12.517 ( 3.969 -0.000 1.020) 4.098 13.761 ( -13.464 0.000 -11.483) 17.696 13.901 ( 3.484 -0.000 -9.828) 10.427 14.467 ( -4.888 0.000 5.544) 7.391 15.680 ( -0.561 0.000 -8.399) 8.417 16.458 ( -4.612 0.000 -15.677) 16.341 ======================= Grid point 234 (79/155) ======================= q-point: ( 0.30 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( 7.924 -0.782 3.512) 8.703 1.635 ( 2.165 1.084 7.136) 7.535 1.732 ( -6.696 0.176 6.718) 9.487 2.015 ( -3.487 -0.668 -4.628) 5.833 2.189 ( -0.265 0.034 -5.104) 5.111 2.223 ( 0.443 0.057 0.040) 0.449 2.564 ( -1.674 0.507 9.318) 9.480 2.572 ( -2.052 0.200 1.951) 2.838 2.915 ( -0.394 1.383 -3.287) 3.587 2.997 ( 4.941 -1.784 -1.852) 5.570 3.477 ( -4.383 -0.200 -0.571) 4.424 3.578 ( 2.912 0.094 0.731) 3.004 3.826 ( 2.844 0.240 -4.027) 4.935 3.924 ( -1.255 0.507 0.689) 1.518 4.139 ( 1.595 -1.583 9.176) 9.447 4.358 ( -3.582 1.051 9.106) 9.841 5.873 ( -1.395 0.016 -6.529) 6.676 6.216 ( 1.290 0.174 60.434) 60.448 6.417 ( -0.375 -0.198 -3.591) 3.616 8.373 ( 0.127 0.086 28.318) 28.318 9.454 ( -2.327 -0.394 -1.860) 3.005 10.635 ( -7.177 -0.163 9.265) 11.721 10.696 ( 17.340 0.745 -4.742) 17.992 11.641 ( -0.591 -0.574 66.348) 66.354 12.550 ( -0.622 -0.000 0.429) 0.756 13.499 ( -15.970 -0.551 -13.843) 21.142 13.936 ( 0.073 -0.271 -9.908) 9.912 14.434 ( 1.558 0.015 5.546) 5.761 15.703 ( 3.592 1.090 -9.436) 10.155 16.398 ( -1.655 -0.036 -16.601) 16.683 ======================= Grid point 235 (80/155) ======================= q-point: (-0.60 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( -4.782 3.007 2.381) 6.130 1.619 ( 0.809 2.770 6.645) 7.245 1.718 ( 3.543 -3.264 6.803) 8.336 1.912 ( -8.590 -2.015 -2.913) 9.291 2.182 ( -0.294 -0.040 -4.064) 4.075 2.284 ( 5.279 -0.219 -2.909) 6.031 2.550 ( -0.321 0.198 12.691) 12.697 2.575 ( 3.101 -0.459 -1.500) 3.475 2.895 ( 0.115 1.453 -5.745) 5.927 3.074 ( 2.738 -0.032 -2.752) 3.882 3.396 ( -5.316 -1.623 -0.106) 5.559 3.598 ( -0.565 0.522 -2.298) 2.423 3.860 ( -4.239 1.242 0.712) 4.474 3.867 ( 1.226 0.940 -3.213) 3.565 4.173 ( -0.375 -3.063 8.175) 8.738 4.300 ( -1.581 1.039 12.510) 12.652 5.846 ( -1.781 -0.507 -5.071) 5.398 6.260 ( 3.878 0.742 56.432) 56.570 6.424 ( 0.740 -0.475 -2.520) 2.669 8.338 ( -3.699 0.225 29.400) 29.632 9.205 ( -22.861 -0.795 1.193) 22.906 10.440 ( -15.341 0.059 10.508) 18.595 11.065 ( 24.088 4.941 -10.962) 26.922 11.638 ( -0.690 -1.468 64.669) 64.690 12.480 ( -7.945 -0.696 -3.539) 8.726 13.229 ( -15.993 -6.926 -8.548) 19.411 13.907 ( -3.459 -0.347 -10.068) 10.651 14.518 ( 7.522 0.546 6.828) 10.173 15.781 ( 6.527 2.777 -8.852) 11.344 16.411 ( 2.907 -0.711 -17.078) 17.338 ======================= Grid point 236 (81/155) ======================= q-point: (-0.50 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( -6.329 6.494 3.681) 9.787 1.575 ( -4.118 3.837 7.383) 9.284 1.763 ( -8.293 -4.240 -0.031) 9.314 1.836 ( 3.729 -3.388 2.006) 5.423 2.192 ( 1.953 0.497 -1.623) 2.587 2.373 ( 3.446 0.792 -4.559) 5.770 2.555 ( 1.720 0.302 14.290) 14.396 2.683 ( 6.942 -2.919 -0.442) 7.544 2.906 ( 3.615 4.468 -6.907) 8.986 3.097 ( 0.734 1.430 -2.732) 3.170 3.321 ( -5.084 -3.174 -0.524) 6.016 3.556 ( -3.558 -0.043 -3.087) 4.710 3.725 ( -9.140 1.371 -0.882) 9.284 3.871 ( 0.011 2.003 -4.857) 5.254 4.178 ( -0.914 -2.355 9.540) 9.868 4.290 ( -0.408 -2.385 9.553) 9.854 5.819 ( -2.116 -1.327 -4.815) 5.424 6.338 ( 5.500 1.091 51.192) 51.498 6.449 ( 1.500 -0.596 -0.728) 1.770 8.249 ( -5.489 0.603 31.943) 32.417 8.736 ( -28.358 -0.412 4.823) 28.768 10.102 ( -21.367 -0.001 11.600) 24.313 11.390 ( 17.203 9.471 -4.836) 20.225 11.595 ( -7.633 0.731 34.357) 35.203 12.322 ( -8.240 -5.479 0.424) 9.904 13.097 ( -8.823 -15.561 3.428) 18.213 13.826 ( -5.524 -0.197 -10.133) 11.543 14.668 ( 9.386 1.239 8.628) 12.809 15.875 ( 7.036 4.429 -7.559) 11.236 16.512 ( 7.083 -1.578 -17.716) 19.145 ======================= Grid point 237 (82/155) ======================= q-point: (-0.40 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( -6.301 8.392 4.913) 11.587 1.381 ( -12.509 4.054 4.774) 13.990 1.710 ( -1.582 -3.021 8.320) 8.992 1.910 ( 1.544 -2.719 -0.357) 3.147 2.241 ( 4.271 2.219 -0.202) 4.817 2.368 ( -1.324 3.920 -0.507) 4.169 2.607 ( 3.681 0.362 12.612) 13.144 2.843 ( 6.849 -2.639 0.565) 7.362 2.913 ( 1.555 7.918 -4.569) 9.273 3.103 ( 2.097 0.624 -3.291) 3.952 3.274 ( -2.601 -1.578 -4.724) 5.619 3.461 ( -8.690 0.112 -4.752) 9.906 3.544 ( -7.857 -0.683 -1.932) 8.120 3.844 ( -1.186 0.853 -6.671) 6.829 4.194 ( 0.784 -1.727 11.031) 11.192 4.316 ( -0.741 -6.698 4.690) 8.210 5.795 ( -2.010 -2.225 -5.901) 6.619 6.428 ( 5.107 0.804 41.546) 41.866 6.484 ( 1.771 -0.456 5.074) 5.393 8.147 ( -5.328 1.202 33.690) 34.130 8.257 ( -23.313 -0.361 9.039) 25.006 9.721 ( -19.976 -0.025 13.067) 23.871 11.253 ( -25.619 0.650 5.026) 26.116 11.557 ( 9.926 10.188 -4.516) 14.924 12.374 ( 6.543 -5.318 13.187) 15.652 13.154 ( -4.182 -25.161 14.946) 29.562 13.726 ( -5.464 -0.074 -10.003) 11.399 14.812 ( 7.732 1.970 10.101) 12.872 15.950 ( 5.753 5.629 -6.467) 10.325 16.673 ( 8.700 -1.821 -19.150) 21.112 ======================= Grid point 238 (83/155) ======================= q-point: (-0.30 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( -8.744 7.176 8.600) 14.209 1.125 ( -8.638 8.655 5.437) 13.382 1.724 ( 0.569 -1.413 13.603) 13.688 1.941 ( 0.184 -1.199 -0.010) 1.213 2.268 ( -0.771 4.799 6.514) 8.128 2.311 ( 2.301 4.941 -3.783) 6.634 2.667 ( 3.687 1.299 11.438) 12.087 2.836 ( -2.466 5.945 -3.640) 7.394 2.919 ( 2.226 4.476 -1.647) 5.263 3.147 ( -10.000 7.746 -7.816) 14.869 3.165 ( 3.135 -1.698 -4.018) 5.372 3.366 ( -0.831 -4.786 -7.684) 9.091 3.472 ( -3.145 -2.631 -0.374) 4.118 3.830 ( -0.667 -2.002 -7.474) 7.766 4.226 ( 0.958 -1.677 10.479) 10.656 4.379 ( -0.022 -9.929 3.534) 10.539 5.788 ( -1.114 -2.928 -7.659) 8.275 6.493 ( 2.277 -0.159 13.592) 13.782 6.517 ( 1.562 0.100 29.143) 29.185 7.893 ( -13.814 -0.700 7.759) 15.859 8.115 ( -0.215 1.139 39.436) 39.453 9.426 ( -12.017 0.031 14.798) 19.063 10.785 ( -22.767 -0.015 -10.094) 24.904 11.619 ( 5.279 7.892 -0.662) 9.518 12.536 ( 6.803 -1.128 9.580) 11.804 13.357 ( -1.331 -35.818 29.183) 46.221 13.644 ( -3.378 -0.050 -9.806) 10.372 14.901 ( 4.224 2.619 10.847) 11.931 15.983 ( 3.289 6.141 -5.796) 9.062 16.828 ( 6.450 -1.156 -21.223) 22.212 ======================= Grid point 239 (84/155) ======================= q-point: (-0.20 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( 0.000 7.344 11.976) 14.048 0.961 ( 0.000 11.355 7.563) 13.643 1.739 ( -0.000 -0.267 18.212) 18.214 1.943 ( -0.000 -0.055 0.407) 0.410 2.211 ( 0.000 3.802 5.531) 6.711 2.305 ( 0.000 4.833 -3.468) 5.948 2.698 ( 0.000 2.395 12.106) 12.340 2.766 ( 0.000 3.875 -7.097) 8.087 2.897 ( 0.000 6.087 -4.773) 7.735 2.926 ( 0.000 11.922 -6.671) 13.661 3.215 ( -0.000 -2.415 -3.596) 4.331 3.408 ( -0.000 -4.652 -5.846) 7.471 3.465 ( -0.000 -2.573 0.283) 2.588 3.849 ( -0.000 -3.069 -7.404) 8.015 4.251 ( -0.000 -1.891 9.712) 9.894 4.468 ( -0.000 -10.517 3.604) 11.117 5.804 ( -0.000 -3.070 -8.786) 9.306 6.516 ( -0.000 -0.600 -7.227) 7.251 6.529 ( 0.000 0.323 48.044) 48.045 7.775 ( -0.000 -0.978 7.330) 7.395 8.116 ( 0.000 0.528 40.763) 40.766 9.315 ( 0.000 0.055 15.601) 15.601 10.557 ( 0.000 0.258 -12.295) 12.298 11.608 ( 0.000 6.554 -5.560) 8.595 12.604 ( 0.000 0.028 5.835) 5.835 13.613 ( -0.000 -0.054 -9.713) 9.713 13.684 ( -0.000 -43.536 38.426) 58.068 14.916 ( 0.000 2.924 10.727) 11.118 15.963 ( 0.000 5.895 -5.304) 7.930 16.893 ( 0.000 0.818 -22.017) 22.032 ======================= Grid point 244 (85/155) ======================= q-point: ( 0.30 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( -2.438 0.000 1.501) 2.863 1.660 ( -0.084 0.000 8.950) 8.951 1.675 ( 3.333 -0.000 5.202) 6.178 1.892 ( -9.187 0.000 -3.168) 9.718 2.181 ( -0.253 0.000 -3.836) 3.844 2.282 ( 5.196 -0.000 -2.734) 5.871 2.552 ( 0.023 -0.000 12.732) 12.732 2.571 ( 2.020 -0.000 -2.079) 2.899 2.909 ( 0.767 -0.000 -6.989) 7.031 3.072 ( 3.283 -0.000 -2.811) 4.322 3.382 ( -5.787 0.000 0.082) 5.788 3.602 ( -0.715 0.000 -1.639) 1.788 3.869 ( -4.958 0.000 1.097) 5.078 3.880 ( 2.629 -0.000 -4.888) 5.550 4.143 ( -0.558 0.000 9.366) 9.382 4.310 ( -2.234 0.000 12.710) 12.904 5.842 ( -2.010 0.000 -4.750) 5.158 6.267 ( 4.044 -0.000 57.909) 58.050 6.419 ( 0.670 -0.000 -4.392) 4.443 8.340 ( -3.625 0.000 29.488) 29.710 9.198 ( -22.641 0.000 1.399) 22.684 10.441 ( -15.362 0.000 10.727) 18.736 11.110 ( 26.334 -0.000 -12.843) 29.299 11.623 ( -1.188 0.000 65.711) 65.722 12.474 ( -8.891 0.000 -4.120) 9.799 13.170 ( -18.438 0.000 -7.218) 19.801 13.904 ( -3.388 0.000 -10.038) 10.594 14.522 ( 7.697 -0.000 6.923) 10.352 15.806 ( 6.856 -0.000 -9.399) 11.634 16.405 ( 2.614 -0.000 -17.081) 17.280 ======================= Grid point 245 (86/155) ======================= q-point: (-0.60 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( -3.776 3.782 1.816) 5.645 1.633 ( -3.155 2.403 9.546) 10.337 1.700 ( -10.774 -2.509 -0.519) 11.074 1.783 ( 4.527 -2.494 0.637) 5.208 2.200 ( 2.834 0.293 -0.968) 3.009 2.384 ( 5.575 0.479 -5.361) 7.749 2.560 ( 1.310 0.242 13.230) 13.297 2.641 ( 4.943 -1.687 -0.860) 5.294 2.971 ( 6.960 2.688 -9.408) 12.008 3.105 ( 0.620 -0.256 -4.343) 4.395 3.280 ( -5.894 -1.348 1.549) 6.242 3.554 ( -4.283 -0.112 -3.235) 5.368 3.743 ( -9.007 0.635 -0.650) 9.053 3.905 ( 0.595 1.630 -6.337) 6.571 4.126 ( -1.923 -2.501 9.536) 10.044 4.276 ( -1.658 -0.071 12.958) 13.064 5.803 ( -2.504 -0.500 -4.412) 5.098 6.352 ( 5.539 0.551 54.058) 54.343 6.440 ( 1.424 -0.373 -4.224) 4.473 8.257 ( -5.157 0.269 32.257) 32.668 8.731 ( -28.086 -0.192 4.969) 28.523 10.101 ( -21.430 -0.017 11.774) 24.451 11.530 ( 12.180 6.583 12.026) 18.339 11.595 ( 4.092 -1.221 18.220) 18.714 12.230 ( -16.247 -4.167 -2.516) 16.960 12.924 ( -10.610 -5.136 5.589) 13.046 13.823 ( -5.422 -0.136 -10.124) 11.486 14.681 ( 9.522 0.390 8.809) 12.977 15.929 ( 7.398 1.790 -8.424) 11.353 16.494 ( 6.829 -0.613 -17.717) 18.997 ======================= Grid point 246 (87/155) ======================= q-point: (-0.50 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( -6.046 8.280 2.231) 10.493 1.431 ( -11.385 1.479 2.357) 11.720 1.657 ( -0.687 -3.155 9.944) 10.455 1.868 ( 2.783 -2.087 -0.764) 3.562 2.275 ( 5.858 1.661 1.010) 6.172 2.434 ( 1.743 3.845 -2.835) 5.085 2.612 ( 4.157 0.244 11.349) 12.088 2.777 ( 7.141 -4.630 0.388) 8.520 3.045 ( 2.707 7.396 -5.454) 9.580 3.109 ( -0.116 0.223 -3.897) 3.905 3.235 ( 1.286 -3.058 -5.489) 6.414 3.463 ( -6.530 -0.187 -3.492) 7.407 3.542 ( -11.734 0.335 -2.792) 12.066 3.872 ( -2.284 2.347 -7.550) 8.230 4.132 ( -0.791 -5.134 8.835) 10.249 4.250 ( -1.984 -1.557 10.077) 10.387 5.765 ( -2.497 -1.371 -5.548) 6.236 6.442 ( 4.644 0.873 39.598) 39.879 6.474 ( 1.968 -0.655 6.538) 6.859 8.167 ( -4.456 1.102 34.967) 35.267 8.249 ( -24.009 -0.523 8.489) 25.471 9.720 ( -19.969 -0.047 13.187) 23.931 11.262 ( -26.093 0.414 5.881) 26.751 11.749 ( 8.613 13.067 -0.493) 15.658 12.228 ( 7.515 -12.526 11.708) 18.721 12.845 ( -6.829 -11.453 11.552) 17.643 13.724 ( -5.414 -0.117 -10.019) 11.389 14.835 ( 7.783 0.843 10.329) 12.961 16.029 ( 5.989 3.575 -7.488) 10.233 16.645 ( 8.571 -1.355 -19.174) 21.047 ======================= Grid point 247 (88/155) ======================= q-point: (-0.40 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( -11.041 5.366 7.034) 14.148 1.271 ( -3.120 8.767 1.808) 9.479 1.685 ( 0.441 -3.341 11.191) 11.688 1.922 ( 1.789 -0.973 -0.257) 2.053 2.347 ( 3.064 4.268 5.861) 7.871 2.407 ( 1.453 6.407 -2.011) 6.871 2.684 ( 4.373 0.877 10.179) 11.113 2.927 ( 1.736 0.875 -0.931) 2.155 2.954 ( 0.132 3.267 -0.041) 3.270 3.133 ( 0.930 -2.013 -4.204) 4.753 3.251 ( -11.051 3.271 -7.360) 13.674 3.334 ( 5.071 2.206 -13.244) 14.352 3.424 ( -4.067 -2.890 -1.635) 5.250 3.805 ( -3.390 -0.619 -8.459) 9.134 4.178 ( 0.481 -5.586 9.582) 11.102 4.240 ( -1.635 -4.933 6.645) 8.436 5.743 ( -1.500 -2.351 -7.196) 7.717 6.491 ( 1.473 -0.145 -0.864) 1.714 6.519 ( 2.119 0.173 43.538) 43.590 7.883 ( -14.440 -0.525 7.912) 16.474 8.134 ( -0.158 1.108 40.552) 40.567 9.427 ( -11.962 -0.000 14.853) 19.071 10.785 ( -22.747 0.083 -10.318) 24.978 11.767 ( 4.509 10.115 13.730) 17.639 12.490 ( 9.922 -5.812 8.251) 14.153 12.863 ( -5.961 -22.217 16.870) 28.526 13.643 ( -3.368 -0.068 -9.803) 10.366 14.935 ( 4.245 1.385 11.286) 12.137 16.078 ( 3.362 4.988 -6.854) 9.119 16.798 ( 6.207 -2.016 -21.363) 22.338 ======================= Grid point 248 (89/155) ======================= q-point: (-0.30 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( 0.000 6.003 10.005) 11.668 1.155 ( 0.000 11.657 3.107) 12.064 1.716 ( -0.000 -2.597 12.794) 13.055 1.942 ( -0.000 -0.083 0.098) 0.129 2.303 ( 0.000 6.897 8.599) 11.023 2.391 ( 0.000 5.444 -2.458) 5.973 2.729 ( 0.000 1.380 11.306) 11.390 2.846 ( 0.000 5.492 -4.607) 7.168 3.001 ( 0.000 6.198 -4.557) 7.693 3.060 ( 0.000 1.928 -3.598) 4.082 3.185 ( -0.000 -1.940 -6.334) 6.625 3.364 ( 0.000 2.215 -12.141) 12.342 3.413 ( -0.000 -3.685 -1.079) 3.840 3.793 ( -0.000 -3.605 -8.089) 8.856 4.216 ( -0.000 -2.514 10.554) 10.849 4.292 ( -0.000 -10.084 4.570) 11.071 5.752 ( -0.000 -2.991 -8.129) 8.662 6.507 ( -0.000 -0.504 -7.188) 7.206 6.535 ( 0.000 0.365 48.194) 48.195 7.758 ( -0.000 -1.005 7.736) 7.801 8.131 ( 0.000 1.128 42.336) 42.351 9.316 ( 0.000 0.054 15.621) 15.621 10.561 ( 0.000 0.259 -12.324) 12.327 11.733 ( 0.000 8.568 8.229) 11.880 12.604 ( 0.000 0.027 5.834) 5.834 13.043 ( -0.000 -33.506 28.216) 43.804 13.612 ( -0.000 -0.054 -9.693) 9.693 14.959 ( 0.000 2.064 11.525) 11.709 16.064 ( 0.000 5.877 -6.361) 8.661 16.875 ( -0.000 -2.199 -22.711) 22.818 ======================= Grid point 255 (90/155) ======================= q-point: (-0.60 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( -16.452 0.000 2.580) 16.653 1.412 ( 0.029 -0.000 -1.277) 1.278 1.625 ( -1.376 0.000 12.117) 12.195 1.849 ( 3.683 -0.000 -0.938) 3.800 2.289 ( 6.438 -0.000 1.734) 6.667 2.474 ( 3.358 -0.000 -4.137) 5.328 2.615 ( 5.037 -0.000 10.618) 11.752 2.727 ( 5.746 -0.000 0.637) 5.781 3.098 ( -0.716 0.000 -5.738) 5.783 3.165 ( 11.895 -0.000 -13.310) 17.851 3.165 ( -6.135 0.000 3.546) 7.086 3.459 ( -5.617 0.000 -3.089) 6.411 3.546 ( -13.083 0.000 -3.161) 13.460 3.900 ( -2.352 0.000 -10.131) 10.401 4.077 ( -1.926 0.000 10.555) 10.729 4.240 ( -2.219 0.000 11.779) 11.986 5.753 ( -2.689 0.000 -5.418) 6.049 6.453 ( 5.012 -0.000 52.040) 52.281 6.466 ( 1.512 -0.000 -6.079) 6.264 8.178 ( -3.298 0.000 36.587) 36.735 8.244 ( -25.087 0.000 7.130) 26.081 9.720 ( -19.962 0.000 13.231) 23.948 11.265 ( -26.233 0.000 6.219) 26.961 11.980 ( 19.026 -0.000 -28.187) 34.007 11.993 ( -3.945 0.000 39.805) 40.000 12.757 ( -6.632 0.000 10.525) 12.441 13.723 ( -5.371 0.000 -10.016) 11.365 14.841 ( 7.747 -0.000 10.295) 12.884 16.060 ( 6.035 -0.000 -7.882) 9.927 16.633 ( 8.499 -0.000 -19.012) 20.826 ======================= Grid point 257 (91/155) ======================= q-point: (-0.50 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( -12.606 1.855 6.380) 14.249 1.398 ( 0.181 5.489 -2.307) 5.957 1.621 ( -0.452 -3.450 12.257) 12.741 1.911 ( 2.827 -0.301 -0.177) 2.848 2.400 ( 5.667 1.844 6.009) 8.463 2.499 ( 1.428 3.566 -0.967) 3.961 2.705 ( 4.814 1.694 8.461) 9.881 2.863 ( 7.149 -4.580 0.220) 8.493 3.033 ( -5.459 3.192 1.606) 6.524 3.104 ( 0.191 -0.877 -5.270) 5.346 3.290 ( -13.113 1.790 -5.220) 14.227 3.348 ( 1.133 -1.714 -9.409) 9.631 3.411 ( 5.695 1.178 -10.400) 11.915 3.815 ( -6.070 1.279 -11.664) 13.211 4.072 ( -0.858 -4.765 9.553) 10.710 4.206 ( -1.604 -0.674 10.471) 10.615 5.715 ( -1.739 -0.903 -6.956) 7.227 6.489 ( 1.037 -0.048 -6.208) 6.294 6.521 ( 2.435 0.075 48.879) 48.940 7.877 ( -14.884 -0.196 7.978) 16.888 8.148 ( -0.008 0.454 41.125) 41.128 9.427 ( -11.910 -0.005 14.885) 19.063 10.787 ( -22.780 0.048 -10.383) 25.035 11.947 ( 3.281 10.276 42.036) 43.398 12.309 ( 10.127 -12.660 -13.245) 20.935 12.667 ( -5.561 -3.637 8.881) 11.091 13.642 ( -3.331 -0.033 -9.796) 10.347 14.948 ( 4.186 0.324 11.157) 11.921 16.137 ( 3.367 1.905 -7.497) 8.436 16.773 ( 6.025 -0.808 -20.852) 21.720 ======================= Grid point 258 (92/155) ======================= q-point: (-0.40 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( 0.000 3.219 8.815) 9.384 1.333 ( 0.000 9.410 -0.400) 9.418 1.655 ( -0.000 -4.555 11.039) 11.942 1.940 ( -0.000 -0.065 -0.135) 0.150 2.417 ( 0.000 5.959 10.445) 12.026 2.479 ( 0.000 4.857 -1.217) 5.007 2.747 ( 0.000 0.997 9.353) 9.406 2.936 ( 0.000 4.825 -2.197) 5.302 3.017 ( -0.000 -5.374 -0.813) 5.435 3.090 ( 0.000 4.229 -3.898) 5.751 3.129 ( -0.000 -3.140 -6.330) 7.065 3.349 ( -0.000 -3.630 -2.705) 4.527 3.479 ( 0.000 8.322 -19.931) 21.598 3.738 ( -0.000 -2.666 -9.021) 9.406 4.119 ( -0.000 -7.862 8.307) 11.437 4.200 ( -0.000 -1.617 9.555) 9.691 5.711 ( -0.000 -1.851 -7.739) 7.957 6.500 ( -0.000 -0.268 -7.110) 7.115 6.541 ( 0.000 0.248 48.324) 48.325 7.744 ( -0.000 -0.636 8.057) 8.082 8.148 ( 0.000 0.867 43.151) 43.160 9.317 ( 0.000 0.033 15.637) 15.637 10.565 ( 0.000 0.160 -12.347) 12.348 11.894 ( 0.000 10.666 29.975) 31.816 12.575 ( -0.000 -23.014 4.734) 23.495 12.604 ( 0.000 0.016 5.834) 5.834 13.612 ( -0.000 -0.034 -9.677) 9.677 14.982 ( 0.000 0.735 11.542) 11.566 16.145 ( 0.000 3.621 -7.194) 8.054 16.841 ( -0.000 -1.657 -22.062) 22.124 ======================= Grid point 268 (93/155) ======================= q-point: ( 0.50 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 142 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 0.000 0.000 8.420) 8.420 1.431 ( 0.000 0.000 -4.771) 4.771 1.598 ( 0.000 0.000 13.913) 13.913 1.940 ( 0.000 0.000 -0.221) 0.221 2.470 ( 0.000 0.000 10.960) 10.960 2.527 ( 0.000 0.000 0.088) 0.088 2.762 ( 0.000 0.000 8.327) 8.327 2.951 ( -0.000 -0.000 -1.774) 1.774 2.981 ( 0.000 0.000 -0.703) 0.703 3.104 ( 0.000 0.000 -6.135) 6.135 3.128 ( 0.000 0.000 -3.720) 3.720 3.314 ( 0.000 0.000 -3.652) 3.652 3.561 ( 0.000 0.000 -23.607) 23.607 3.714 ( 0.000 0.000 -9.555) 9.555 4.042 ( -0.000 -0.000 10.603) 10.603 4.188 ( 0.000 0.000 10.311) 10.311 5.695 ( 0.000 0.000 -7.607) 7.607 6.498 ( 0.000 0.000 -7.070) 7.070 6.543 ( 0.000 0.000 48.377) 48.377 7.738 ( 0.000 0.000 8.178) 8.178 8.156 ( 0.000 0.000 43.392) 43.392 9.317 ( 0.000 0.000 15.644) 15.644 10.566 ( 0.000 0.000 -12.356) 12.356 12.028 ( 0.000 0.000 67.313) 67.313 12.338 ( 0.000 0.000 -33.725) 33.725 12.604 ( 0.000 0.000 5.833) 5.833 13.611 ( 0.000 0.000 -9.671) 9.671 14.987 ( 0.000 0.000 11.371) 11.371 16.176 ( 0.000 0.000 -7.509) 7.509 16.826 ( 0.000 0.000 -21.613) 21.613 ======================= Grid point 315 (94/155) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( 0.000 0.000 16.178) 16.178 1.039 ( 0.000 0.000 14.158) 14.158 1.836 ( 0.000 0.000 -10.276) 10.276 1.884 ( 0.000 0.000 -8.094) 8.094 2.224 ( 0.000 0.000 7.601) 7.601 2.280 ( 0.000 0.000 3.784) 3.784 2.508 ( 0.000 0.000 -4.821) 4.821 2.712 ( 0.000 0.000 7.340) 7.340 2.723 ( 0.000 0.000 -3.586) 3.586 2.946 ( 0.000 0.000 9.882) 9.882 3.238 ( 0.000 0.000 0.914) 0.914 3.425 ( 0.000 0.000 -2.371) 2.371 3.545 ( 0.000 0.000 2.147) 2.147 3.770 ( 0.000 0.000 -5.984) 5.984 4.461 ( 0.000 0.000 7.723) 7.723 4.694 ( 0.000 0.000 -0.301) 0.301 5.752 ( 0.000 0.000 -0.468) 0.468 6.340 ( 0.000 0.000 -11.200) 11.200 7.418 ( 0.000 0.000 36.979) 36.979 7.959 ( 0.000 0.000 8.464) 8.464 8.913 ( 0.000 0.000 39.660) 39.660 9.618 ( 0.000 0.000 13.459) 13.459 10.288 ( 0.000 0.000 -12.844) 12.844 11.031 ( 0.000 0.000 -25.877) 25.877 12.740 ( 0.000 0.000 7.652) 7.652 13.389 ( 0.000 0.000 -11.927) 11.927 15.043 ( 0.000 0.000 10.797) 10.797 15.214 ( 0.000 0.000 17.846) 17.846 15.752 ( 0.000 0.000 -5.046) 5.046 16.468 ( 0.000 0.000 -15.247) 15.247 ======================= Grid point 316 (95/155) ======================= q-point: ( 0.10 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( 4.666 -0.206 13.406) 14.196 1.142 ( 15.423 -2.271 13.367) 20.536 1.829 ( -0.410 -0.064 -8.711) 8.721 1.906 ( 1.938 0.557 -5.862) 6.199 2.238 ( 1.131 -0.956 5.855) 6.040 2.263 ( -2.119 -1.070 3.543) 4.265 2.623 ( 9.260 -1.395 -2.972) 9.825 2.733 ( 2.757 -1.354 5.649) 6.430 2.829 ( 8.332 -2.005 -3.151) 9.131 2.950 ( 1.289 -0.373 8.176) 8.286 3.201 ( -2.906 0.874 1.492) 3.381 3.408 ( -0.779 1.713 -3.120) 3.644 3.557 ( 1.532 0.831 1.767) 2.482 3.748 ( -1.980 0.760 -5.695) 6.077 4.433 ( -2.626 0.504 7.456) 7.921 4.655 ( -2.729 2.676 -0.260) 3.831 5.762 ( 1.287 0.492 -0.187) 1.390 6.337 ( -0.180 0.147 -10.759) 10.762 7.439 ( 1.823 -0.109 39.428) 39.470 8.077 ( 12.968 0.099 8.188) 15.337 8.865 ( -4.048 -0.775 37.838) 38.062 9.711 ( 10.171 -0.064 12.600) 16.193 10.537 ( 25.371 0.230 -13.421) 28.703 11.011 ( -3.413 -3.067 -24.447) 24.874 12.750 ( 1.109 0.014 9.434) 9.499 13.419 ( 3.223 0.001 -11.934) 12.362 14.984 ( -10.000 8.517 16.780) 21.310 15.035 ( -10.078 1.959 15.193) 18.337 15.735 ( -2.442 -1.261 -5.106) 5.799 16.433 ( -4.054 -0.002 -16.554) 17.044 ======================= Grid point 317 (96/155) ======================= q-point: ( 0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( 6.490 -1.414 11.340) 13.142 1.426 ( 12.638 -1.252 9.302) 15.742 1.833 ( 1.149 0.613 -6.151) 6.287 1.925 ( 1.166 1.673 -3.493) 4.045 2.212 ( -3.163 0.097 2.265) 3.892 2.287 ( 1.195 -2.411 1.906) 3.297 2.721 ( 2.419 -0.710 2.127) 3.299 2.845 ( 2.819 0.091 5.561) 6.236 2.904 ( 0.624 -1.083 7.514) 7.617 3.016 ( -0.552 -0.409 -4.612) 4.663 3.225 ( 9.125 -1.537 2.068) 9.482 3.414 ( 5.907 3.370 -5.342) 8.648 3.580 ( 1.898 0.946 0.697) 2.232 3.699 ( -2.505 -0.015 -5.360) 5.917 4.376 ( -3.004 -0.176 7.023) 7.641 4.572 ( -3.006 3.693 0.039) 4.762 5.786 ( 1.777 0.699 0.531) 1.982 6.331 ( -0.367 0.303 -9.587) 9.598 7.467 ( 0.826 -0.294 45.421) 45.429 8.397 ( 21.824 0.067 6.345) 22.728 8.831 ( -0.194 -1.228 34.147) 34.170 9.962 ( 16.764 -0.290 9.738) 19.389 10.938 ( -1.629 -2.250 -18.467) 18.674 11.118 ( 31.061 -2.159 -14.787) 34.469 12.778 ( 1.972 0.087 14.095) 14.232 13.497 ( 5.208 -0.041 -11.974) 13.058 14.528 ( -21.832 16.781 26.305) 38.081 14.918 ( -8.354 -2.461 9.524) 12.905 15.686 ( -4.606 -2.123 -5.431) 7.431 16.326 ( -6.946 1.326 -18.842) 20.125 ======================= Grid point 318 (97/155) ======================= q-point: ( 0.30 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( 7.392 -2.136 9.245) 12.028 1.601 ( 6.029 -1.352 5.995) 8.609 1.858 ( 2.782 1.865 -4.537) 5.640 1.926 ( 0.438 1.209 -1.647) 2.090 2.152 ( -2.919 0.609 0.048) 2.982 2.288 ( -2.927 -0.418 -2.120) 3.638 2.753 ( -0.543 1.739 2.041) 2.736 2.810 ( -3.367 1.286 3.428) 4.974 2.864 ( -2.590 1.638 8.187) 8.742 2.988 ( -1.681 -1.286 -1.912) 2.852 3.411 ( 8.224 1.603 1.029) 8.442 3.516 ( 2.971 1.760 -2.730) 4.402 3.642 ( 5.514 -1.280 -2.235) 6.086 3.703 ( 4.310 -1.752 -4.901) 6.757 4.341 ( -1.401 -1.306 6.917) 7.177 4.503 ( -1.504 2.669 1.344) 3.345 5.810 ( 1.375 0.584 1.484) 2.106 6.319 ( -0.563 0.433 -8.122) 8.153 7.473 ( -0.349 -0.529 51.399) 51.403 8.810 ( 21.657 0.294 4.585) 22.138 8.873 ( 4.782 -1.151 27.385) 27.823 10.259 ( 13.243 -1.114 0.682) 13.308 10.904 ( -1.607 -3.524 -5.218) 6.498 11.732 ( 32.727 -1.092 -12.105) 34.911 12.820 ( 2.795 -0.083 20.714) 20.902 13.596 ( 5.383 -0.143 -12.077) 13.223 14.000 ( -21.101 15.657 26.186) 37.095 14.768 ( -10.088 -2.066 7.707) 12.862 15.610 ( -5.689 -2.308 -6.094) 8.650 16.180 ( -7.199 2.077 -20.464) 21.793 ======================= Grid point 319 (98/155) ======================= q-point: ( 0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( 6.662 -2.662 7.061) 10.066 1.675 ( 1.820 -0.223 4.707) 5.051 1.887 ( 0.852 1.631 -2.973) 3.496 1.934 ( 2.059 -0.223 0.688) 2.183 2.100 ( -2.346 1.016 -2.795) 3.788 2.204 ( -4.942 1.106 -3.785) 6.322 2.630 ( -6.322 2.050 2.719) 7.181 2.790 ( -0.154 2.710 5.809) 6.412 2.840 ( 0.959 0.374 1.152) 1.545 2.979 ( -0.870 -1.282 -3.621) 3.939 3.468 ( 1.678 2.710 -0.584) 3.240 3.514 ( -0.665 0.511 -2.342) 2.487 3.746 ( 3.978 -2.935 -1.524) 5.173 3.837 ( 6.198 -0.095 -2.240) 6.591 4.346 ( 0.371 -1.521 6.564) 6.748 4.473 ( -0.394 1.115 3.754) 3.936 5.824 ( 0.654 0.295 2.391) 2.496 6.306 ( -0.491 0.364 -6.941) 6.968 7.469 ( -0.379 -0.463 55.023) 55.026 8.921 ( 2.406 -0.378 28.197) 28.302 9.195 ( 16.963 0.294 -5.354) 17.791 10.378 ( -0.910 -2.124 -14.587) 14.769 10.983 ( 6.878 -1.304 16.765) 18.167 12.246 ( 21.638 -1.761 -10.150) 23.965 12.892 ( 5.354 -1.395 32.404) 32.873 13.537 ( -17.582 11.657 18.533) 28.080 13.681 ( 3.601 -0.153 -12.077) 12.603 14.615 ( -7.661 -1.120 5.617) 9.565 15.533 ( -4.267 -1.571 -6.885) 8.251 16.055 ( -4.601 1.508 -21.131) 21.679 ======================= Grid point 320 (99/155) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( 0.000 -0.000 4.968) 4.968 1.685 ( 0.000 -0.000 5.233) 5.233 1.875 ( 0.000 -0.000 1.871) 1.871 1.983 ( 0.000 -0.000 0.696) 0.696 2.052 ( 0.000 -0.000 -7.026) 7.026 2.148 ( 0.000 -0.000 -3.524) 3.524 2.561 ( 0.000 -0.000 2.193) 2.193 2.772 ( 0.000 -0.000 6.332) 6.332 2.853 ( 0.000 -0.000 -0.632) 0.632 2.975 ( 0.000 -0.000 -4.950) 4.950 3.469 ( 0.000 0.000 -1.688) 1.688 3.503 ( 0.000 -0.000 -2.509) 2.509 3.799 ( 0.000 -0.000 -0.526) 0.526 3.892 ( 0.000 0.000 -1.211) 1.211 4.361 ( 0.000 -0.000 5.859) 5.859 4.464 ( 0.000 -0.000 5.329) 5.329 5.829 ( 0.000 -0.000 2.783) 2.783 6.299 ( 0.000 -0.000 -6.494) 6.494 7.468 ( 0.000 -0.000 56.156) 56.156 8.945 ( 0.000 -0.000 27.515) 27.515 9.359 ( 0.000 -0.000 -9.289) 9.289 10.357 ( -0.000 -0.000 -17.122) 17.122 11.068 ( 0.000 -0.000 23.189) 23.189 12.459 ( 0.000 -0.000 -11.226) 11.226 13.014 ( 0.000 -0.000 61.265) 61.265 13.254 ( 0.000 -0.000 -6.938) 6.938 13.716 ( 0.000 -0.000 -12.161) 12.161 14.545 ( 0.000 -0.000 4.588) 4.588 15.499 ( 0.000 -0.000 -7.265) 7.265 16.006 ( 0.000 -0.000 -21.257) 21.257 ======================= Grid point 327 (100/155) ======================= q-point: ( 0.10 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( 6.471 -0.000 11.722) 13.390 1.415 ( 13.035 -0.000 9.824) 16.322 1.838 ( 1.606 -0.000 -7.301) 7.476 1.942 ( 1.276 -0.000 -3.034) 3.291 2.213 ( -2.871 0.000 2.458) 3.779 2.264 ( 1.854 -0.000 2.542) 3.146 2.717 ( 3.042 -0.000 3.076) 4.327 2.845 ( 5.627 -0.000 2.968) 6.362 2.894 ( 0.095 -0.000 10.119) 10.119 3.012 ( 0.642 -0.000 -4.702) 4.746 3.212 ( 8.024 -0.000 2.667) 8.455 3.445 ( 5.568 -0.000 -5.208) 7.624 3.589 ( 1.536 -0.000 0.606) 1.651 3.698 ( -3.541 0.000 -5.125) 6.230 4.374 ( -3.578 0.000 7.366) 8.190 4.604 ( -3.746 0.000 -0.544) 3.785 5.792 ( 1.652 -0.000 0.156) 1.659 6.333 ( -0.342 0.000 -9.750) 9.756 7.464 ( 0.748 -0.000 45.554) 45.560 8.397 ( 21.806 -0.000 6.284) 22.693 8.820 ( -0.006 0.000 33.906) 33.906 9.960 ( 16.620 -0.000 9.572) 19.180 10.918 ( -4.991 0.000 -18.497) 19.159 11.100 ( 34.882 -0.000 -14.067) 37.611 12.779 ( 1.973 -0.000 13.952) 14.091 13.497 ( 5.167 -0.000 -11.961) 13.029 14.675 ( -24.953 0.000 23.009) 33.943 14.894 ( -7.792 0.000 9.595) 12.360 15.669 ( -4.287 0.000 -5.284) 6.804 16.336 ( -6.627 0.000 -17.430) 18.647 ======================= Grid point 328 (101/155) ======================= q-point: ( 0.20 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( 7.273 -0.732 9.766) 12.199 1.585 ( 6.402 -0.503 6.326) 9.014 1.879 ( 2.772 0.595 -6.263) 6.874 1.946 ( -0.298 0.853 -1.326) 1.604 2.161 ( -2.701 0.329 0.784) 2.832 2.278 ( -1.286 -0.490 -1.145) 1.791 2.776 ( 3.112 0.812 1.769) 3.671 2.829 ( -5.071 0.832 4.536) 6.854 2.881 ( -1.887 0.448 9.238) 9.439 2.968 ( -2.665 -0.820 -0.739) 2.885 3.419 ( 10.950 -0.113 1.690) 11.081 3.550 ( 1.742 1.629 -1.027) 2.597 3.636 ( 1.228 0.607 -4.438) 4.645 3.671 ( 6.609 -1.931 -5.092) 8.563 4.323 ( -2.051 -0.658 7.532) 7.834 4.537 ( -2.778 1.181 0.120) 3.021 5.817 ( 1.136 0.230 0.919) 1.479 6.325 ( -0.526 0.199 -8.397) 8.415 7.466 ( -0.460 -0.258 51.714) 51.717 8.815 ( 23.181 0.299 2.353) 23.302 8.857 ( 3.847 -0.627 29.225) 29.484 10.245 ( 12.446 -0.466 -0.309) 12.458 10.864 ( 0.011 -1.254 -3.198) 3.435 11.718 ( 32.326 -0.493 -11.628) 34.358 12.819 ( 2.479 -0.029 19.979) 20.132 13.593 ( 5.263 -0.095 -12.033) 13.134 14.185 ( -25.521 5.966 23.172) 34.984 14.742 ( -9.331 -0.929 8.020) 12.339 15.587 ( -4.902 -0.571 -6.097) 7.844 16.204 ( -7.383 0.739 -19.369) 20.741 ======================= Grid point 329 (102/155) ======================= q-point: ( 0.30 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( 6.704 -1.619 7.635) 10.289 1.675 ( 3.753 0.062 4.358) 5.751 1.905 ( -0.650 0.932 -3.173) 3.371 1.934 ( 0.842 -0.148 -0.992) 1.309 2.115 ( -2.020 0.632 -1.683) 2.704 2.221 ( -4.237 0.877 -2.674) 5.086 2.665 ( -7.764 1.984 3.039) 8.570 2.823 ( -3.039 0.790 6.635) 7.341 2.852 ( 3.162 1.335 0.300) 3.446 2.951 ( -0.992 -1.811 -1.028) 2.307 3.510 ( -0.213 2.130 -0.583) 2.219 3.526 ( -0.643 0.815 -1.036) 1.466 3.700 ( 5.379 -2.386 -2.086) 6.244 3.835 ( 7.078 -0.095 -3.355) 7.833 4.318 ( 0.328 -1.551 7.788) 7.948 4.493 ( -1.040 1.127 2.187) 2.671 5.828 ( 0.373 0.181 1.904) 1.949 6.312 ( -0.555 0.370 -7.195) 7.225 7.461 ( -0.302 -0.501 55.327) 55.330 8.916 ( 2.808 -0.139 27.973) 28.114 9.197 ( 16.969 0.052 -5.531) 17.847 10.350 ( -0.109 -1.183 -14.584) 14.632 10.966 ( 8.358 -0.759 17.783) 19.664 12.218 ( 21.326 -1.469 -8.303) 22.933 12.873 ( 3.683 -0.796 29.158) 29.401 13.675 ( 2.099 0.132 -10.902) 11.103 13.697 ( -21.282 6.542 17.006) 28.016 14.598 ( -6.685 -0.786 5.986) 9.008 15.518 ( -2.799 -0.353 -7.013) 7.560 16.077 ( -5.528 0.994 -20.709) 21.457 ======================= Grid point 330 (103/155) ======================= q-point: ( 0.40 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( 2.963 -1.420 5.072) 6.043 1.713 ( 1.163 2.582 4.935) 5.690 1.861 ( -2.561 -1.013 1.853) 3.319 1.964 ( 0.132 -1.901 -0.778) 2.059 2.073 ( -1.154 1.714 -5.044) 5.451 2.155 ( -0.940 0.842 -3.571) 3.787 2.562 ( -1.949 0.131 2.031) 2.818 2.767 ( -2.683 -0.625 5.731) 6.359 2.863 ( -0.889 0.995 -0.616) 1.470 2.966 ( 1.214 -0.954 -4.268) 4.539 3.466 ( -2.638 -0.259 -1.139) 2.885 3.515 ( 0.138 1.247 -3.146) 3.387 3.790 ( 2.325 -0.852 -0.383) 2.505 3.898 ( 0.239 0.566 -1.597) 1.711 4.346 ( 0.786 -1.447 6.969) 7.161 4.476 ( -0.138 1.058 4.584) 4.706 5.829 ( -0.269 -0.034 2.688) 2.701 6.302 ( -0.211 0.291 -6.592) 6.601 7.464 ( 0.262 -0.383 56.220) 56.221 8.946 ( 0.394 0.151 27.521) 27.524 9.356 ( -0.723 -0.292 -9.198) 9.231 10.362 ( 2.943 0.481 -17.277) 17.532 11.068 ( 0.818 -0.095 23.113) 23.127 12.448 ( 1.732 -1.132 -10.664) 10.863 12.981 ( 5.272 -3.013 52.657) 53.006 13.288 ( -15.319 3.186 1.348) 15.705 13.712 ( -0.027 -0.390 -12.183) 12.189 14.545 ( 0.978 0.007 4.566) 4.670 15.507 ( 1.955 0.840 -7.496) 7.793 16.007 ( -1.340 0.177 -21.128) 21.171 ======================= Grid point 331 (104/155) ======================= q-point: (-0.50 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( -5.561 2.322 5.706) 8.300 1.692 ( -0.419 2.140 5.320) 5.750 1.848 ( -2.184 -2.839 -2.102) 4.153 1.936 ( -2.821 -0.618 3.305) 4.389 2.088 ( 2.696 -0.086 -4.479) 5.229 2.189 ( 4.528 -0.616 -4.848) 6.662 2.598 ( 4.848 -1.888 1.969) 5.563 2.747 ( -0.727 -2.217 4.531) 5.096 2.833 ( -1.513 -0.501 0.384) 1.640 2.991 ( 0.988 0.212 -5.100) 5.199 3.427 ( -3.011 -2.122 -0.073) 3.684 3.512 ( 0.009 0.230 -3.592) 3.600 3.787 ( -2.160 1.765 -1.526) 3.180 3.842 ( -5.670 0.719 -1.235) 5.847 4.356 ( -0.373 -0.433 6.127) 6.153 4.467 ( -0.223 0.490 5.182) 5.210 5.819 ( -0.963 -0.314 2.844) 3.019 6.302 ( 0.324 -0.060 -6.822) 6.830 7.474 ( 0.564 0.048 54.763) 54.766 8.929 ( -1.884 0.572 28.503) 28.571 9.187 ( -16.864 -0.534 -5.097) 17.625 10.417 ( 1.343 2.371 -14.350) 14.606 11.008 ( -4.469 1.538 14.861) 15.594 12.269 ( -21.515 0.780 -12.546) 24.918 12.916 ( -7.358 1.390 37.973) 38.704 13.335 ( 10.981 -11.758 17.940) 24.097 13.680 ( -3.626 -0.214 -12.214) 12.743 14.632 ( 8.476 0.867 4.945) 9.851 15.568 ( 6.015 2.492 -7.148) 9.669 16.031 ( 3.488 -1.216 -21.148) 21.468 ======================= Grid point 332 (105/155) ======================= q-point: (-0.40 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( -7.197 3.338 8.069) 11.316 1.629 ( -5.749 2.011 5.020) 7.893 1.820 ( -2.196 -2.527 -2.003) 3.901 1.909 ( -1.388 -1.028 -0.942) 1.967 2.145 ( 3.607 -0.052 -0.977) 3.737 2.288 ( 4.593 -0.375 -3.293) 5.664 2.726 ( 4.782 -1.502 1.921) 5.368 2.781 ( 3.300 -2.301 1.347) 4.243 2.834 ( 1.327 -1.635 6.406) 6.744 3.003 ( 0.937 0.307 -4.380) 4.489 3.371 ( -6.365 -2.623 0.724) 6.922 3.498 ( -2.935 -0.690 -3.266) 4.445 3.673 ( -8.831 2.229 -1.038) 9.167 3.729 ( -3.503 1.544 -4.605) 5.989 4.355 ( 0.464 -0.045 5.987) 6.005 4.463 ( -0.428 -1.667 3.598) 3.989 5.799 ( -1.744 -0.692 2.346) 3.004 6.312 ( 0.557 -0.347 -7.818) 7.845 7.481 ( 0.288 0.374 50.962) 50.964 8.807 ( -21.718 -0.045 4.193) 22.119 8.893 ( -3.768 1.104 28.362) 28.633 10.279 ( -14.538 1.196 2.302) 14.768 10.977 ( 4.331 5.113 -8.826) 11.082 11.749 ( -33.339 0.760 -13.087) 35.824 12.821 ( -3.337 0.110 22.154) 22.404 13.597 ( -5.476 -0.053 -12.105) 13.286 13.701 ( 14.747 -19.297 30.514) 39.000 14.802 ( 10.800 1.734 6.729) 12.843 15.662 ( 6.922 3.783 -6.315) 10.105 16.141 ( 6.703 -2.349 -21.230) 22.386 ======================= Grid point 333 (106/155) ======================= q-point: (-0.30 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( -6.188 3.227 10.129) 12.300 1.453 ( -11.750 1.905 7.877) 14.274 1.818 ( -0.073 -1.083 -3.092) 3.277 1.898 ( -1.012 -1.480 -4.470) 4.816 2.214 ( 4.057 0.597 1.766) 4.465 2.328 ( 0.650 2.225 0.673) 2.414 2.749 ( -0.078 2.695 -0.342) 2.717 2.839 ( 0.703 -0.711 7.521) 7.587 2.917 ( 2.134 -0.057 4.364) 4.859 3.023 ( 1.076 0.339 -4.102) 4.255 3.247 ( -7.857 -0.059 0.408) 7.868 3.358 ( -9.766 -1.936 -5.211) 11.237 3.560 ( -3.248 -1.433 0.774) 3.633 3.697 ( 0.271 -0.260 -5.852) 5.864 4.378 ( 1.776 -0.200 6.186) 6.439 4.494 ( 0.939 -5.226 1.712) 5.578 5.771 ( -2.102 -1.090 1.511) 2.809 6.325 ( 0.418 -0.396 -9.222) 9.240 7.473 ( -0.958 0.382 45.101) 45.112 8.395 ( -21.895 -0.071 6.444) 22.824 8.858 ( 0.702 1.928 34.747) 34.808 9.968 ( -17.104 0.379 10.144) 19.889 10.985 ( -8.815 3.149 -17.799) 20.110 11.171 ( -19.493 4.079 -17.468) 26.491 12.776 ( -1.972 -0.143 14.515) 14.649 13.498 ( -5.275 -0.012 -12.003) 13.111 14.165 ( 15.681 -25.508 33.277) 44.765 14.964 ( 8.868 2.689 8.782) 12.767 15.741 ( 5.417 4.345 -5.697) 8.981 16.291 ( 7.128 -2.690 -21.109) 22.442 ======================= Grid point 334 (107/155) ======================= q-point: (-0.20 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( -5.308 2.559 12.666) 13.969 1.200 ( -11.941 4.243 11.662) 17.222 1.829 ( 0.637 -0.174 -6.816) 6.848 1.893 ( -0.856 -0.879 -6.065) 6.188 2.258 ( 0.672 1.605 4.162) 4.511 2.305 ( 1.370 3.768 4.195) 5.803 2.670 ( -6.992 4.290 -2.084) 8.464 2.779 ( -2.489 4.116 3.035) 5.688 2.880 ( -4.609 3.372 -0.404) 5.725 2.965 ( -3.997 1.756 2.939) 5.263 3.175 ( 1.595 -2.108 1.748) 3.169 3.351 ( 1.472 -5.056 -3.020) 6.071 3.530 ( -2.043 -2.349 1.552) 3.479 3.723 ( 1.010 -2.150 -5.995) 6.448 4.417 ( 1.767 -1.274 6.673) 7.019 4.574 ( 1.853 -6.713 0.827) 7.013 5.747 ( -1.448 -1.259 0.633) 2.020 6.333 ( 0.202 -0.335 -10.470) 10.477 7.442 ( -1.841 0.290 39.338) 39.382 8.074 ( -13.101 -0.260 8.372) 15.550 8.889 ( 4.125 2.032 38.524) 38.798 9.713 ( -10.265 0.142 12.672) 16.309 10.532 ( -24.630 -0.269 -13.243) 27.966 11.103 ( 3.453 7.539 -25.725) 27.029 12.750 ( -1.035 -0.039 9.510) 9.566 13.419 ( -3.240 -0.015 -11.929) 12.361 14.644 ( 11.445 -28.262 30.437) 43.083 15.064 ( 4.966 3.039 10.324) 11.852 15.780 ( 2.856 4.093 -5.548) 7.462 16.420 ( 4.606 -1.843 -20.122) 20.724 ======================= Grid point 335 (108/155) ======================= q-point: (-0.10 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( 0.000 3.523 15.511) 15.906 1.068 ( 0.000 3.509 13.192) 13.651 1.837 ( 0.000 0.109 -9.240) 9.240 1.884 ( -0.000 -0.018 -7.829) 7.829 2.237 ( 0.000 1.681 6.820) 7.024 2.304 ( 0.000 2.781 4.147) 4.993 2.540 ( 0.000 3.684 -4.516) 5.828 2.749 ( 0.000 4.248 4.931) 6.509 2.751 ( 0.000 3.362 -3.551) 4.890 2.947 ( 0.000 0.011 9.084) 9.084 3.220 ( -0.000 -2.112 0.956) 2.318 3.401 ( -0.000 -2.906 -2.166) 3.625 3.529 ( -0.000 -1.927 1.930) 2.728 3.753 ( -0.000 -2.034 -6.112) 6.442 4.448 ( -0.000 -1.465 7.253) 7.399 4.646 ( -0.000 -5.495 0.293) 5.503 5.744 ( -0.000 -1.022 -0.019) 1.022 6.337 ( -0.000 -0.254 -11.046) 11.049 7.420 ( 0.000 0.208 36.967) 36.967 7.956 ( -0.000 -0.272 8.595) 8.599 8.925 ( 0.000 1.479 40.176) 40.203 9.618 ( 0.000 0.054 13.467) 13.467 10.289 ( 0.000 0.128 -12.860) 12.860 11.080 ( 0.000 5.726 -26.520) 27.131 12.740 ( 0.000 0.021 7.655) 7.655 13.389 ( -0.000 -0.013 -11.917) 11.917 14.969 ( -0.000 -20.504 22.504) 30.444 15.097 ( -0.000 -0.962 12.839) 12.875 15.776 ( 0.000 2.983 -5.490) 6.248 16.471 ( -0.000 -0.317 -18.090) 18.092 ======================= Grid point 338 (109/155) ======================= q-point: ( 0.20 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( 6.670 -0.000 7.783) 10.251 1.675 ( 4.455 -0.000 4.127) 6.073 1.920 ( 1.282 -0.000 -5.841) 5.980 1.926 ( -2.270 0.000 1.320) 2.626 2.120 ( -1.983 0.000 -1.361) 2.405 2.229 ( -3.653 0.000 -2.200) 4.264 2.684 ( -8.377 0.000 3.118) 8.939 2.826 ( -4.229 0.000 5.394) 6.854 2.870 ( 4.851 -0.000 0.143) 4.853 2.932 ( -1.752 0.000 1.237) 2.144 3.530 ( -3.173 0.000 -0.636) 3.236 3.534 ( 1.321 -0.000 -0.083) 1.324 3.678 ( 6.143 -0.000 -2.649) 6.690 3.834 ( 7.525 -0.000 -3.850) 8.453 4.304 ( 0.294 -0.000 8.301) 8.306 4.504 ( -1.319 0.000 1.643) 2.107 5.830 ( 0.258 -0.000 1.692) 1.711 6.316 ( -0.562 0.000 -7.335) 7.356 7.456 ( -0.289 0.000 55.468) 55.468 8.915 ( 2.960 -0.000 27.888) 28.045 9.197 ( 16.948 -0.000 -5.584) 17.844 10.340 ( 0.299 -0.000 -14.559) 14.562 10.960 ( 8.843 -0.000 18.082) 20.128 12.204 ( 21.099 -0.000 -7.633) 22.437 12.867 ( 3.080 -0.000 28.063) 28.232 13.673 ( 3.405 -0.000 -12.137) 12.606 13.755 ( -24.567 0.000 18.048) 30.484 14.591 ( -6.249 0.000 6.089) 8.725 15.516 ( -2.272 0.000 -7.174) 7.525 16.085 ( -5.860 0.000 -20.438) 21.262 ======================= Grid point 339 (110/155) ======================= q-point: ( 0.30 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( 4.234 -0.587 5.185) 6.720 1.745 ( 3.255 0.918 3.769) 5.064 1.860 ( -4.261 0.915 4.073) 5.965 1.928 ( -1.341 -2.013 -2.867) 3.751 2.093 ( -0.651 0.584 -3.777) 3.877 2.170 ( -1.725 0.663 -3.473) 3.934 2.565 ( -3.689 0.229 1.743) 4.087 2.756 ( -3.392 -0.510 4.789) 5.891 2.879 ( -3.064 0.705 -0.969) 3.290 2.951 ( 3.024 -0.672 -2.831) 4.197 3.462 ( -3.944 -0.127 -0.736) 4.015 3.534 ( -0.226 0.740 -3.687) 3.767 3.779 ( 3.719 -0.419 -0.299) 3.755 3.905 ( 0.543 0.231 -2.096) 2.178 4.325 ( 1.188 -0.764 8.327) 8.446 4.490 ( -0.137 0.519 3.834) 3.871 5.828 ( -0.444 -0.021 2.534) 2.572 6.306 ( -0.333 0.181 -6.755) 6.765 7.458 ( 0.428 -0.238 56.326) 56.328 8.949 ( 0.640 0.095 27.533) 27.540 9.352 ( -1.147 -0.182 -9.054) 9.128 10.370 ( 4.765 0.299 -17.527) 18.166 11.066 ( 1.358 -0.057 22.984) 23.025 12.430 ( 2.641 -0.736 -9.660) 10.042 12.941 ( 4.634 -1.362 45.589) 45.844 13.331 ( -20.712 1.510 7.817) 22.189 13.706 ( -0.043 -0.249 -12.233) 12.236 14.545 ( 1.565 0.004 4.531) 4.794 15.520 ( 3.053 0.527 -7.875) 8.462 16.010 ( -2.123 0.102 -20.914) 21.021 ======================= Grid point 340 (111/155) ======================= q-point: (-0.60 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( -2.915 1.234 4.132) 5.205 1.745 ( -0.550 3.876 6.152) 7.292 1.804 ( -2.629 -2.191 -0.945) 3.550 1.905 ( -3.157 -2.955 3.888) 5.815 2.098 ( 2.310 0.957 -4.112) 4.812 2.183 ( 3.588 -0.105 -5.611) 6.661 2.568 ( 3.194 -1.630 1.178) 3.774 2.723 ( -0.740 -0.760 3.360) 3.524 2.825 ( -2.247 -0.472 -1.184) 2.583 2.989 ( 0.814 -0.327 -5.507) 5.577 3.401 ( -3.549 -1.064 0.530) 3.742 3.518 ( -0.973 0.465 -4.514) 4.641 3.805 ( -0.683 0.589 -1.502) 1.751 3.857 ( -5.268 0.820 -1.081) 5.440 4.341 ( -0.437 -1.029 7.534) 7.617 4.481 ( -0.505 0.877 5.108) 5.207 5.815 ( -1.186 -0.212 3.081) 3.308 6.303 ( 0.122 0.125 -6.864) 6.866 7.472 ( 0.792 -0.176 54.644) 54.650 8.938 ( -1.415 0.463 28.825) 28.864 9.179 ( -16.745 -0.454 -4.919) 17.459 10.451 ( 1.187 1.575 -13.802) 13.942 11.031 ( -1.806 1.191 12.529) 12.715 12.272 ( -21.109 -0.241 -14.364) 25.533 12.933 ( -8.001 0.482 46.384) 47.072 13.176 ( 4.422 -6.743 13.682) 15.881 13.675 ( -3.534 -0.339 -12.281) 12.784 14.642 ( 8.759 0.382 4.220) 9.730 15.607 ( 7.238 1.904 -7.594) 10.662 16.017 ( 2.738 -0.551 -20.792) 20.979 ======================= Grid point 341 (112/155) ======================= q-point: (-0.50 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( -6.158 3.833 6.270) 9.588 1.665 ( -6.925 2.043 2.938) 7.795 1.783 ( -0.523 -1.657 0.924) 1.968 1.883 ( -1.850 -2.296 1.386) 3.258 2.155 ( 4.684 1.162 -1.633) 5.095 2.280 ( 5.731 -0.497 -4.287) 7.174 2.689 ( 7.063 -3.274 1.425) 7.914 2.747 ( 2.729 -1.393 1.972) 3.644 2.818 ( 1.073 -0.237 0.655) 1.279 2.996 ( -0.121 -1.004 -6.698) 6.774 3.338 ( -5.130 -1.151 1.804) 5.558 3.488 ( -2.841 -0.477 -3.562) 4.581 3.707 ( -10.041 1.664 -0.805) 10.209 3.755 ( -3.356 1.493 -4.557) 5.853 4.336 ( -0.962 -1.887 6.444) 6.783 4.455 ( -1.635 0.407 4.959) 5.237 5.788 ( -2.079 -0.544 3.142) 3.806 6.309 ( 0.463 -0.115 -7.657) 7.671 7.484 ( 0.371 0.086 50.612) 50.613 8.807 ( -22.371 0.083 2.727) 22.537 8.908 ( -2.173 0.778 30.365) 30.453 10.296 ( -15.800 0.836 3.932) 16.303 11.066 ( 7.592 5.280 -13.208) 16.124 11.753 ( -34.109 -0.294 -14.288) 36.982 12.823 ( -3.909 0.063 24.323) 24.635 13.402 ( 8.876 -15.581 34.358) 38.756 13.594 ( -5.430 -0.232 -12.213) 13.367 14.821 ( 10.842 0.592 5.064) 11.981 15.725 ( 7.937 3.487 -6.655) 10.929 16.110 ( 6.352 -1.367 -20.886) 21.873 ======================= Grid point 342 (113/155) ======================= q-point: (-0.40 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( -5.274 4.995 8.140) 10.910 1.483 ( -10.934 1.584 6.039) 12.591 1.799 ( 0.691 -1.087 -0.164) 1.298 1.875 ( -0.691 -1.438 -3.767) 4.091 2.237 ( 5.742 2.250 1.017) 6.250 2.359 ( 3.215 1.667 -0.463) 3.651 2.792 ( 3.346 0.654 0.496) 3.446 2.831 ( 2.747 1.040 1.746) 3.417 2.893 ( 6.130 -2.622 3.409) 7.488 3.017 ( 1.261 -1.577 -5.474) 5.835 3.224 ( -7.463 -0.925 -0.155) 7.521 3.370 ( -11.360 2.093 -3.681) 12.123 3.536 ( -6.234 -1.427 0.649) 6.428 3.692 ( -2.432 -0.289 -6.681) 7.115 4.353 ( 0.621 -3.289 5.254) 6.229 4.427 ( -1.789 -1.987 4.143) 4.931 5.753 ( -2.487 -1.034 2.743) 3.844 6.319 ( 0.447 -0.273 -8.880) 8.896 7.478 ( -0.988 0.273 44.762) 44.774 8.395 ( -22.022 -0.035 6.473) 22.953 8.890 ( 1.340 1.859 35.429) 35.503 9.974 ( -17.467 0.287 10.606) 20.437 11.036 ( -22.276 2.859 -16.173) 27.676 11.247 ( -4.572 4.928 -22.435) 23.421 12.773 ( -1.972 -0.159 15.234) 15.362 13.497 ( -5.270 -0.117 -12.019) 13.124 13.737 ( 9.613 -24.596 39.953) 47.892 14.996 ( 8.946 1.017 6.789) 11.277 15.819 ( 6.155 4.758 -5.889) 9.757 16.249 ( 7.027 -2.113 -21.726) 22.931 ======================= Grid point 343 (114/155) ======================= q-point: (-0.30 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( -4.969 4.690 11.066) 13.006 1.274 ( -8.503 4.545 9.260) 13.368 1.820 ( 0.591 -1.026 -3.806) 3.986 1.880 ( 0.123 -0.619 -5.971) 6.004 2.300 ( 3.066 3.641 2.738) 5.491 2.376 ( 2.523 4.683 3.783) 6.528 2.763 ( -4.590 6.503 -1.675) 8.134 2.853 ( 1.108 3.836 3.289) 5.173 2.919 ( -1.197 1.811 1.299) 2.530 3.013 ( -4.537 3.100 -5.452) 7.741 3.144 ( -2.978 -0.893 2.048) 3.723 3.246 ( 1.762 -7.257 -3.134) 8.099 3.480 ( -3.223 -3.647 1.117) 4.994 3.679 ( -0.839 -3.170 -6.715) 7.473 4.392 ( 0.714 -1.841 5.571) 5.910 4.450 ( 0.222 -7.601 2.646) 8.052 5.724 ( -1.698 -1.485 2.008) 3.020 6.328 ( 0.235 -0.312 -10.062) 10.070 7.448 ( -1.811 0.368 39.209) 39.252 8.069 ( -13.353 -0.326 8.648) 15.912 8.927 ( 4.318 2.477 39.416) 39.729 9.716 ( -10.373 0.132 12.780) 16.461 10.530 ( -24.190 0.013 -12.997) 27.461 11.245 ( 4.098 9.235 -28.208) 29.963 12.749 ( -0.912 -0.052 9.661) 9.704 13.419 ( -3.234 -0.043 -11.917) 12.348 14.130 ( 7.291 -31.804 40.290) 51.845 15.110 ( 4.936 1.996 8.754) 10.246 15.862 ( 3.259 5.408 -5.668) 8.485 16.378 ( 4.661 -2.763 -22.574) 23.215 ======================= Grid point 344 (115/155) ======================= q-point: (-0.20 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( 0.000 4.935 13.998) 14.843 1.150 ( 0.000 6.144 10.723) 12.358 1.834 ( -0.000 -0.664 -6.451) 6.485 1.884 ( -0.000 -0.086 -7.251) 7.251 2.284 ( 0.000 4.082 4.842) 6.333 2.370 ( 0.000 5.227 4.839) 7.123 2.626 ( 0.000 6.604 -3.605) 7.524 2.831 ( 0.000 6.122 -3.289) 6.949 2.844 ( 0.000 6.813 -0.761) 6.855 2.942 ( -0.000 -0.647 6.997) 7.026 3.171 ( -0.000 -3.611 0.917) 3.725 3.330 ( -0.000 -5.641 -1.632) 5.872 3.481 ( -0.000 -3.826 1.296) 4.039 3.704 ( -0.000 -3.828 -6.555) 7.591 4.416 ( -0.000 -2.240 6.144) 6.540 4.526 ( -0.000 -8.482 1.759) 8.662 5.721 ( -0.000 -1.594 1.187) 1.988 6.332 ( -0.000 -0.329 -10.676) 10.681 7.425 ( 0.000 0.378 36.935) 36.937 7.950 ( -0.000 -0.468 8.937) 8.950 8.959 ( 0.000 2.445 41.304) 41.377 9.620 ( 0.000 0.086 13.489) 13.490 10.292 ( 0.000 0.208 -12.900) 12.902 11.206 ( 0.000 9.042 -28.301) 29.711 12.741 ( 0.000 0.033 7.660) 7.660 13.389 ( -0.000 -0.022 -11.890) 11.890 14.480 ( -0.000 -33.910 36.303) 49.677 15.134 ( 0.000 2.861 10.047) 10.446 15.846 ( 0.000 5.239 -5.722) 7.759 16.445 ( -0.000 -2.672 -22.076) 22.237 ======================= Grid point 349 (116/155) ======================= q-point: ( 0.30 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( -1.482 0.000 3.514) 3.814 1.779 ( -1.028 0.000 0.670) 1.227 1.799 ( -1.969 0.000 6.485) 6.777 1.863 ( -3.901 0.000 2.500) 4.634 2.108 ( 2.207 -0.000 -3.323) 3.989 2.183 ( 3.062 -0.000 -5.938) 6.681 2.553 ( 2.233 -0.000 0.827) 2.381 2.717 ( -0.407 0.000 2.828) 2.857 2.820 ( -2.541 0.000 -1.946) 3.200 2.985 ( 0.586 -0.000 -5.479) 5.511 3.392 ( -3.605 0.000 0.762) 3.685 3.523 ( -1.466 0.000 -4.847) 5.064 3.810 ( -0.152 0.000 -1.512) 1.520 3.864 ( -5.053 0.000 -1.161) 5.184 4.331 ( -0.466 0.000 8.380) 8.393 4.489 ( -0.578 0.000 4.922) 4.956 5.813 ( -1.266 0.000 3.139) 3.385 6.304 ( 0.031 -0.000 -6.911) 6.911 7.470 ( 0.898 -0.000 54.622) 54.629 8.942 ( -1.216 0.000 28.984) 29.010 9.175 ( -16.703 0.000 -4.878) 17.400 10.464 ( 0.991 -0.000 -13.468) 13.504 11.042 ( -0.546 0.000 11.373) 11.386 12.268 ( -20.917 0.000 -14.911) 25.688 12.935 ( -7.271 0.000 51.878) 52.385 13.121 ( 0.867 -0.000 9.731) 9.770 13.672 ( -3.475 0.000 -12.308) 12.789 14.645 ( 8.769 -0.000 3.902) 9.598 15.624 ( 7.645 -0.000 -7.806) 10.926 16.012 ( 2.509 -0.000 -20.575) 20.727 ======================= Grid point 350 (117/155) ======================= q-point: (-0.60 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( -4.606 2.100 4.487) 6.764 1.682 ( -9.090 -0.020 0.371) 9.097 1.784 ( 0.844 2.014 3.789) 4.373 1.835 ( -1.361 -3.303 3.593) 5.067 2.175 ( 5.625 0.922 -1.304) 5.848 2.274 ( 6.414 -0.175 -5.124) 8.211 2.638 ( 6.048 -2.018 0.986) 6.451 2.732 ( 1.627 -0.462 2.386) 2.925 2.822 ( 3.148 0.408 -3.752) 4.914 2.978 ( -1.171 -0.824 -7.507) 7.642 3.329 ( -3.958 -0.161 2.618) 4.748 3.482 ( -3.135 -0.189 -3.665) 4.826 3.726 ( -10.115 0.625 -0.892) 10.173 3.774 ( -3.478 0.625 -4.783) 5.947 4.310 ( -2.049 -0.947 7.846) 8.164 4.463 ( -2.103 0.339 5.009) 5.443 5.782 ( -2.263 -0.206 3.600) 4.257 6.308 ( 0.357 -0.001 -7.617) 7.625 7.485 ( 0.494 -0.018 50.438) 50.441 8.809 ( -22.882 0.050 1.587) 22.937 8.917 ( -1.086 0.281 31.820) 31.840 10.305 ( -16.547 0.289 4.937) 17.270 11.136 ( 10.445 2.516 -16.739) 19.890 11.743 ( -35.048 -0.541 -14.916) 38.094 12.823 ( -4.257 -0.014 26.779) 27.115 13.218 ( 5.181 -5.925 35.952) 36.803 13.591 ( -5.342 -0.139 -12.246) 13.362 14.825 ( 10.478 0.010 3.666) 11.101 15.767 ( 8.450 1.402 -6.890) 10.992 16.096 ( 6.338 -0.348 -20.160) 21.136 ======================= Grid point 351 (118/155) ======================= q-point: (-0.50 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( -4.114 5.181 5.766) 8.776 1.498 ( -10.493 -0.085 4.749) 11.518 1.785 ( -0.056 -0.640 1.839) 1.948 1.850 ( 0.627 -1.409 -1.935) 2.474 2.284 ( 7.925 3.004 0.822) 8.515 2.385 ( 5.804 1.399 -1.533) 6.164 2.766 ( 3.979 -2.318 2.550) 5.264 2.812 ( 6.810 -4.004 1.935) 8.133 2.897 ( 5.749 3.023 -5.268) 8.363 2.980 ( 0.343 -2.214 -7.594) 7.917 3.233 ( -6.578 1.347 2.628) 7.210 3.400 ( -7.360 1.289 -2.651) 7.929 3.515 ( -11.141 -0.964 -0.056) 11.183 3.689 ( -4.973 -0.005 -7.999) 9.419 4.291 ( -1.455 -3.216 6.521) 7.415 4.415 ( -2.794 -0.093 4.607) 5.389 5.739 ( -2.774 -0.607 3.772) 4.721 6.316 ( 0.436 -0.104 -8.674) 8.686 7.481 ( -0.909 0.116 44.533) 44.543 8.394 ( -22.149 -0.006 6.440) 23.066 8.916 ( 1.849 1.120 35.945) 36.010 9.977 ( -17.725 0.135 10.954) 20.837 11.075 ( -32.181 1.725 -14.463) 35.324 11.323 ( 6.917 3.739 -28.342) 29.412 12.771 ( -1.962 -0.136 16.326) 16.444 13.397 ( 5.048 -15.261 44.982) 47.768 13.495 ( -5.193 -0.142 -12.038) 13.111 14.999 ( 8.470 -0.370 4.105) 9.420 15.886 ( 6.590 3.040 -5.983) 9.406 16.226 ( 7.144 -0.647 -20.689) 21.898 ======================= Grid point 352 (119/155) ======================= q-point: (-0.40 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( -6.499 4.219 9.782) 12.479 1.348 ( -4.136 4.342 6.327) 8.717 1.795 ( 0.018 -1.896 -0.977) 2.133 1.872 ( 0.828 -0.375 -5.176) 5.255 2.379 ( 5.368 5.658 1.682) 7.979 2.456 ( 5.459 4.692 3.356) 7.943 2.833 ( 1.667 0.088 2.347) 2.880 2.917 ( 0.459 5.912 -1.926) 6.235 2.951 ( 1.768 0.483 0.043) 1.833 3.024 ( 1.224 -2.044 -4.926) 5.471 3.132 ( 0.210 -2.689 -3.208) 4.191 3.180 ( -10.882 2.955 -1.278) 11.348 3.411 ( -4.951 -4.624 0.382) 6.786 3.623 ( -3.397 -3.327 -8.268) 9.537 4.318 ( -0.065 -6.222 4.959) 7.957 4.379 ( -1.614 -1.361 4.477) 4.950 5.701 ( -1.931 -1.128 3.480) 4.136 6.324 ( 0.265 -0.170 -9.711) 9.716 7.453 ( -1.709 0.306 39.098) 39.136 8.064 ( -13.648 -0.270 8.902) 16.297 8.965 ( 4.551 1.956 40.112) 40.416 9.717 ( -10.434 0.075 12.874) 16.571 10.532 ( -24.186 0.167 -12.783) 27.357 11.395 ( 5.222 8.407 -32.247) 33.732 12.748 ( -0.781 -0.054 9.915) 9.945 13.418 ( -3.183 -0.058 -11.902) 12.320 13.647 ( 3.885 -25.063 47.971) 54.263 15.123 ( 4.719 -0.375 5.637) 7.361 15.946 ( 3.510 4.456 -5.581) 7.958 16.343 ( 4.633 -1.215 -22.181) 22.693 ======================= Grid point 353 (120/155) ======================= q-point: (-0.30 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( 0.000 4.171 12.451) 13.131 1.262 ( 0.000 7.058 7.635) 10.398 1.813 ( -0.000 -1.896 -3.023) 3.568 1.882 ( -0.000 -0.138 -6.710) 6.711 2.371 ( 0.000 6.223 2.906) 6.869 2.474 ( 0.000 7.126 5.436) 8.963 2.751 ( 0.000 8.176 -2.254) 8.481 2.916 ( -0.000 -1.697 2.128) 2.722 2.946 ( 0.000 7.446 -2.391) 7.821 2.962 ( 0.000 5.877 -4.431) 7.360 3.106 ( -0.000 -4.026 0.467) 4.053 3.222 ( -0.000 -6.887 -1.401) 7.028 3.404 ( -0.000 -5.479 0.262) 5.486 3.630 ( -0.000 -4.988 -7.501) 9.008 4.376 ( -0.000 -4.352 4.728) 6.426 4.386 ( -0.000 -6.060 3.891) 7.202 5.695 ( -0.000 -1.503 2.776) 3.157 6.328 ( -0.000 -0.227 -10.265) 10.268 7.432 ( 0.000 0.431 36.899) 36.901 7.942 ( -0.000 -0.507 9.355) 9.369 9.001 ( 0.000 2.434 42.369) 42.439 9.621 ( 0.000 0.086 13.517) 13.517 10.296 ( 0.000 0.210 -12.950) 12.952 11.365 ( 0.000 9.750 -31.446) 32.923 12.742 ( 0.000 0.032 7.667) 7.667 13.389 ( -0.000 -0.023 -11.858) 11.858 13.925 ( -0.000 -31.475 45.922) 55.673 15.166 ( 0.000 0.604 7.547) 7.572 15.937 ( 0.000 5.334 -5.595) 7.730 16.400 ( -0.000 -2.166 -23.209) 23.310 ======================= Grid point 360 (121/155) ======================= q-point: (-0.60 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( -2.007 0.000 3.755) 4.258 1.486 ( -11.807 0.000 5.183) 12.894 1.779 ( -1.501 0.000 2.702) 3.091 1.836 ( 2.088 -0.000 -1.143) 2.381 2.314 ( 9.275 -0.000 1.344) 9.372 2.399 ( 7.004 -0.000 -2.389) 7.400 2.741 ( 6.086 -0.000 0.696) 6.126 2.773 ( 3.700 -0.000 3.121) 4.841 2.932 ( 7.559 -0.000 -8.230) 11.174 2.954 ( -0.422 0.000 -7.542) 7.554 3.247 ( -5.503 0.000 4.023) 6.816 3.410 ( -4.633 0.000 -1.875) 4.998 3.507 ( -14.338 0.000 -0.744) 14.357 3.690 ( -6.043 0.000 -8.785) 10.662 4.263 ( -2.281 0.000 7.441) 7.783 4.415 ( -3.154 0.000 4.532) 5.522 5.733 ( -2.875 0.000 4.175) 5.070 6.315 ( 0.422 -0.000 -8.609) 8.620 7.482 ( -0.856 0.000 44.456) 44.464 8.394 ( -22.202 0.000 6.417) 23.111 8.925 ( 2.041 -0.000 36.136) 36.194 9.979 ( -17.816 0.000 11.081) 20.981 11.090 ( -35.629 0.000 -13.742) 38.187 11.356 ( 11.192 -0.000 -31.347) 33.285 12.770 ( -1.950 0.000 17.123) 17.234 13.265 ( 3.202 -0.000 46.992) 47.101 13.493 ( -5.150 0.000 -12.077) 13.130 14.994 ( 8.144 -0.000 2.830) 8.622 15.912 ( 6.728 -0.000 -6.009) 9.021 16.222 ( 7.278 -0.000 -19.975) 21.259 ======================= Grid point 362 (122/155) ======================= q-point: (-0.50 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( -8.573 1.480 9.291) 12.728 1.408 ( -0.659 2.298 3.761) 4.456 1.765 ( -0.578 -1.239 1.253) 1.855 1.868 ( 1.194 -0.114 -4.690) 4.841 2.473 ( 7.258 4.998 1.938) 9.023 2.512 ( 8.032 0.996 3.127) 8.676 2.823 ( 3.531 0.548 0.345) 3.590 2.891 ( 5.685 -5.726 1.135) 8.149 2.967 ( 1.028 -0.215 -4.853) 4.966 3.046 ( 4.217 4.556 -6.905) 9.285 3.127 ( -5.422 0.137 -0.109) 5.425 3.236 ( -11.817 2.635 -0.523) 12.118 3.338 ( -5.818 -3.496 -1.256) 6.903 3.579 ( -5.909 -1.611 -10.565) 12.212 4.241 ( -1.147 -2.559 6.530) 7.107 4.365 ( -2.177 -0.406 4.131) 4.687 5.688 ( -2.062 -0.410 4.455) 4.926 6.322 ( 0.279 -0.046 -9.515) 9.519 7.457 ( -1.608 0.119 39.039) 39.072 8.061 ( -13.852 -0.105 9.051) 16.547 8.988 ( 4.701 0.735 40.473) 40.752 9.718 ( -10.449 0.021 12.922) 16.618 10.534 ( -24.312 0.090 -12.657) 27.410 11.503 ( 6.303 3.784 -36.798) 37.526 12.748 ( -0.679 -0.032 10.271) 10.294 13.348 ( 1.746 -9.856 53.469) 54.398 13.417 ( -3.132 -0.031 -11.891) 12.297 15.110 ( 4.388 -0.675 2.813) 5.256 15.999 ( 3.627 1.711 -5.484) 6.794 16.335 ( 4.730 -0.090 -20.752) 21.285 ======================= Grid point 363 (123/155) ======================= q-point: (-0.40 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 0.000 2.261 11.376) 11.599 1.369 ( 0.000 5.316 4.734) 7.118 1.776 ( -0.000 -2.217 -0.020) 2.217 1.879 ( -0.000 -0.105 -6.371) 6.372 2.480 ( 0.000 6.359 2.158) 6.715 2.594 ( 0.000 6.654 6.316) 9.174 2.876 ( -0.000 -2.298 -0.558) 2.365 2.884 ( 0.000 7.277 -0.698) 7.310 2.995 ( -0.000 -4.097 -3.143) 5.164 3.051 ( -0.000 -2.232 0.257) 2.246 3.064 ( 0.000 6.289 -0.355) 6.299 3.151 ( 0.000 0.042 -8.011) 8.011 3.306 ( -0.000 -5.897 -1.338) 6.047 3.548 ( -0.000 -4.449 -9.201) 10.220 4.265 ( -0.000 -5.330 5.589) 7.724 4.352 ( -0.000 -1.205 4.159) 4.330 5.674 ( -0.000 -0.870 4.176) 4.265 6.325 ( -0.000 -0.092 -9.958) 9.959 7.438 ( 0.000 0.296 36.873) 36.875 7.934 ( -0.000 -0.335 9.687) 9.693 9.034 ( 0.000 1.477 43.044) 43.069 9.622 ( 0.000 0.053 13.539) 13.539 10.299 ( 0.000 0.131 -12.991) 12.992 11.512 ( 0.000 7.273 -36.337) 37.058 12.742 ( 0.000 0.019 7.672) 7.672 13.388 ( -0.000 -0.015 -11.832) 11.832 13.489 ( -0.000 -19.669 53.437) 56.942 15.158 ( -0.000 -1.081 3.971) 4.115 16.011 ( 0.000 3.309 -5.395) 6.329 16.380 ( -0.000 -0.408 -21.823) 21.827 ======================= Grid point 373 (124/155) ======================= q-point: ( 0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 142 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( 0.000 0.000 10.998) 10.998 1.417 ( 0.000 0.000 3.273) 3.273 1.754 ( 0.000 0.000 1.440) 1.440 1.879 ( 0.000 0.000 -6.260) 6.260 2.545 ( 0.000 0.000 2.543) 2.543 2.655 ( 0.000 0.000 7.010) 7.010 2.873 ( 0.000 0.000 -6.226) 6.226 2.914 ( -0.000 -0.000 3.413) 3.413 2.956 ( -0.000 -0.000 0.404) 0.404 3.031 ( 0.000 0.000 -0.380) 0.380 3.127 ( 0.000 0.000 2.231) 2.231 3.166 ( 0.000 0.000 -12.555) 12.555 3.242 ( 0.000 0.000 -3.487) 3.487 3.505 ( 0.000 0.000 -10.616) 10.616 4.219 ( 0.000 0.000 6.537) 6.537 4.342 ( 0.000 0.000 3.898) 3.898 5.667 ( 0.000 0.000 4.742) 4.742 6.324 ( 0.000 0.000 -9.845) 9.845 7.440 ( 0.000 0.000 36.865) 36.865 7.931 ( 0.000 0.000 9.812) 9.812 9.047 ( 0.000 0.000 43.268) 43.268 9.623 ( 0.000 0.000 13.548) 13.548 10.300 ( 0.000 0.000 -13.007) 13.007 11.578 ( 0.000 0.000 -39.596) 39.596 12.742 ( 0.000 0.000 7.674) 7.674 13.319 ( 0.000 0.000 57.286) 57.286 13.388 ( 0.000 0.000 -11.823) 11.823 15.146 ( 0.000 0.000 2.252) 2.252 16.039 ( 0.000 0.000 -5.309) 5.309 16.379 ( 0.000 0.000 -20.851) 20.851 ======================= Grid point 420 (125/155) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( 0.000 0.000 16.687) 16.687 1.317 ( 0.000 0.000 13.281) 13.281 1.585 ( 0.000 0.000 -12.992) 12.992 1.624 ( 0.000 0.000 -15.773) 15.773 2.323 ( 0.000 0.000 2.270) 2.270 2.332 ( 0.000 0.000 1.174) 1.174 2.518 ( 0.000 0.000 4.218) 4.218 2.627 ( 0.000 0.000 -5.562) 5.562 2.865 ( 0.000 0.000 7.202) 7.202 2.986 ( 0.000 0.000 -3.885) 3.885 3.329 ( 0.000 0.000 5.143) 5.143 3.392 ( 0.000 0.000 -1.530) 1.530 3.595 ( 0.000 0.000 2.839) 2.839 3.666 ( 0.000 0.000 -4.191) 4.191 4.592 ( 0.000 0.000 5.000) 5.000 4.666 ( 0.000 0.000 -2.414) 2.414 5.847 ( 0.000 0.000 9.189) 9.189 6.086 ( 0.000 0.000 -13.001) 13.001 7.962 ( 0.000 0.000 15.684) 15.684 8.084 ( 0.000 0.000 2.063) 2.063 9.709 ( 0.000 0.000 37.708) 37.708 9.853 ( 0.000 0.000 9.847) 9.847 10.050 ( 0.000 0.000 -10.269) 10.269 10.432 ( 0.000 0.000 -32.611) 32.611 12.919 ( 0.000 0.000 9.912) 9.912 13.143 ( 0.000 0.000 -11.821) 11.821 15.265 ( 0.000 0.000 10.538) 10.538 15.428 ( 0.000 0.000 -2.132) 2.132 15.779 ( 0.000 0.000 12.701) 12.701 16.125 ( 0.000 0.000 -17.935) 17.935 ======================= Grid point 421 (126/155) ======================= q-point: ( 0.10 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( 2.778 -0.276 12.789) 13.090 1.427 ( 11.913 -1.061 14.275) 18.623 1.600 ( 1.447 -0.382 -12.311) 12.402 1.709 ( 7.160 -0.112 -12.616) 14.507 2.315 ( -1.543 -0.422 1.917) 2.497 2.320 ( -1.397 -1.216 1.466) 2.362 2.632 ( 10.775 -1.888 3.402) 11.456 2.729 ( 9.886 -1.739 -5.287) 11.345 2.865 ( 0.421 -0.156 6.197) 6.213 2.974 ( -1.029 0.638 -3.805) 3.993 3.302 ( -1.983 1.099 5.113) 5.593 3.364 ( -2.139 1.420 -1.686) 3.072 3.597 ( 0.585 0.911 2.242) 2.490 3.654 ( -0.875 0.901 -3.518) 3.735 4.558 ( -2.844 1.268 4.755) 5.684 4.629 ( -2.886 2.003 -2.312) 4.205 5.859 ( 1.292 0.018 9.085) 9.177 6.092 ( 0.678 -0.061 -12.612) 12.630 8.030 ( 6.956 -0.048 17.817) 19.127 8.188 ( 11.038 0.006 0.793) 11.066 9.602 ( -7.774 -1.078 32.203) 33.146 9.906 ( 5.083 -0.234 4.305) 6.665 10.303 ( 23.096 -0.052 -7.533) 24.294 10.476 ( 4.816 -1.926 -25.265) 25.792 12.947 ( 3.029 -0.003 10.195) 10.636 13.173 ( 3.223 -0.004 -11.817) 12.249 15.221 ( -5.296 -0.542 9.746) 11.105 15.329 ( -9.762 3.420 3.880) 11.047 15.726 ( -4.270 1.595 9.502) 10.538 16.065 ( -5.297 2.438 -19.014) 19.888 ======================= Grid point 422 (127/155) ======================= q-point: ( 0.20 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( 4.694 -0.861 11.363) 12.324 1.620 ( 6.519 -1.191 5.707) 8.746 1.650 ( 4.995 0.628 -6.563) 8.271 1.812 ( 4.289 1.144 -7.689) 8.878 2.267 ( -3.743 0.134 2.620) 4.571 2.302 ( -2.251 -0.885 -0.599) 2.492 2.792 ( 2.710 0.082 4.787) 5.501 2.905 ( 1.839 -0.354 -5.708) 6.008 2.935 ( 5.187 -0.907 3.416) 6.276 2.978 ( 4.781 -0.304 -0.162) 4.794 3.289 ( 4.096 0.912 2.687) 4.983 3.333 ( 3.656 2.868 -2.500) 5.277 3.598 ( 0.238 0.788 0.942) 1.251 3.625 ( -1.389 0.485 -2.068) 2.538 4.491 ( -2.938 1.075 4.228) 5.259 4.553 ( -2.918 2.366 -1.934) 4.225 5.889 ( 1.897 -0.061 8.892) 9.092 6.109 ( 1.014 -0.110 -11.600) 11.645 8.180 ( 8.821 -0.031 23.597) 25.192 8.444 ( 16.461 0.038 -3.561) 16.842 9.506 ( -4.045 -1.674 30.996) 31.303 9.993 ( 2.735 -1.249 -11.891) 12.266 10.659 ( 15.727 -1.429 -3.165) 16.106 10.808 ( 30.821 -0.877 -13.657) 33.722 13.020 ( 4.876 0.001 10.853) 11.898 13.250 ( 5.145 -0.018 -11.849) 12.918 15.021 ( -16.869 8.163 16.608) 25.040 15.093 ( -10.797 -0.389 6.105) 12.409 15.630 ( -5.622 -0.329 3.568) 6.667 15.916 ( -7.945 3.283 -20.273) 22.020 ======================= Grid point 423 (128/155) ======================= q-point: ( 0.30 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( 5.548 -1.448 9.681) 11.252 1.703 ( 2.980 -2.199 -5.231) 6.409 1.740 ( 4.475 1.422 2.909) 5.524 1.855 ( 2.046 0.847 -5.121) 5.579 2.186 ( -4.267 1.443 2.664) 5.233 2.242 ( -4.435 0.963 -2.573) 5.217 2.808 ( 0.754 1.528 3.618) 3.999 2.883 ( -2.366 1.010 -1.464) 2.960 2.906 ( -4.543 2.280 2.770) 5.788 2.973 ( -4.057 2.707 -1.332) 5.056 3.432 ( 8.242 2.263 1.030) 8.609 3.461 ( 6.263 2.326 -2.069) 6.994 3.620 ( 3.354 -2.305 -0.145) 4.073 3.635 ( 4.585 -2.290 -1.792) 5.429 4.451 ( -0.901 -0.017 3.937) 4.039 4.504 ( -0.737 0.980 -1.279) 1.772 5.923 ( 1.644 -0.166 8.750) 8.905 6.127 ( 0.818 -0.075 -10.325) 10.358 8.322 ( 6.648 -0.050 30.827) 31.535 8.737 ( 15.337 0.127 -10.706) 18.705 9.477 ( -1.109 -1.590 28.806) 28.871 10.012 ( -1.750 -2.033 -22.064) 22.227 11.027 ( 22.637 -1.045 14.668) 26.994 11.387 ( 31.554 -0.658 -18.915) 36.795 13.114 ( 5.357 -0.137 11.209) 12.424 13.347 ( 5.252 -0.088 -11.944) 13.048 14.616 ( -18.811 9.111 26.511) 33.760 14.875 ( -12.992 0.712 0.247) 13.014 15.530 ( -6.243 -1.486 0.682) 6.454 15.751 ( -7.459 2.277 -19.590) 21.085 ======================= Grid point 424 (129/155) ======================= q-point: ( 0.40 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( 4.490 -1.618 7.640) 9.008 1.764 ( 1.642 -1.771 -1.034) 2.627 1.791 ( 2.611 1.075 -0.374) 2.848 1.887 ( 1.576 -1.060 -4.833) 5.193 2.103 ( -3.130 2.105 1.830) 4.192 2.144 ( -4.175 2.057 -2.261) 5.174 2.724 ( -6.232 2.699 6.353) 9.300 2.843 ( 1.384 2.025 1.866) 3.082 2.860 ( -3.989 3.044 -3.792) 6.289 2.878 ( -0.842 -0.370 -3.327) 3.451 3.460 ( -0.204 2.130 0.106) 2.143 3.476 ( -0.317 1.669 -1.352) 2.172 3.747 ( 5.788 -2.574 1.290) 6.464 3.787 ( 6.676 -1.512 -2.420) 7.260 4.453 ( 0.514 -0.496 3.966) 4.030 4.503 ( 0.551 -0.145 -0.697) 0.901 5.948 ( 0.893 -0.158 8.654) 8.702 6.138 ( 0.370 -0.000 -9.229) 9.237 8.412 ( 3.344 -0.079 36.516) 36.669 8.963 ( 9.462 0.178 -18.083) 20.410 9.480 ( 0.024 -0.900 26.138) 26.153 9.983 ( -2.657 -1.507 -22.660) 22.865 11.409 ( 17.053 -0.552 23.138) 28.749 11.883 ( 21.240 -0.575 -22.148) 30.692 13.210 ( 4.859 -0.473 9.632) 10.798 13.429 ( 3.546 -0.136 -11.881) 12.400 14.243 ( -14.368 6.257 34.355) 37.761 14.651 ( -10.031 1.020 -5.358) 11.418 15.441 ( -4.529 -1.185 -0.177) 4.685 15.626 ( -4.604 0.968 -18.267) 18.863 ======================= Grid point 425 (130/155) ======================= q-point: (-0.50 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( 0.000 -0.000 6.167) 6.167 1.786 ( 0.000 -0.000 2.103) 2.103 1.812 ( 0.000 0.000 -2.283) 2.283 1.915 ( 0.000 0.000 -6.301) 6.301 2.053 ( 0.000 -0.000 3.088) 3.088 2.096 ( 0.000 -0.000 -1.798) 1.798 2.648 ( 0.000 -0.000 6.572) 6.572 2.800 ( 0.000 -0.000 -5.739) 5.739 2.856 ( 0.000 0.000 0.649) 0.649 2.871 ( 0.000 -0.000 -1.811) 1.811 3.446 ( 0.000 0.000 -0.178) 0.178 3.462 ( 0.000 -0.000 -1.537) 1.537 3.813 ( 0.000 -0.000 1.635) 1.635 3.855 ( 0.000 0.000 -2.180) 2.180 4.462 ( 0.000 0.000 3.955) 3.955 4.511 ( 0.000 -0.000 -0.449) 0.449 5.956 ( 0.000 -0.000 8.608) 8.608 6.141 ( 0.000 -0.000 -8.785) 8.785 8.443 ( 0.000 -0.000 38.620) 38.620 9.051 ( 0.000 -0.000 -21.527) 21.527 9.485 ( 0.000 -0.000 24.973) 24.973 9.962 ( -0.000 -0.000 -21.500) 21.500 11.575 ( 0.000 -0.000 25.750) 25.750 12.087 ( 0.000 -0.000 -23.287) 23.287 13.267 ( 0.000 -0.000 6.628) 6.628 13.464 ( 0.000 -0.000 -11.614) 11.614 14.070 ( 0.000 -0.000 39.488) 39.488 14.548 ( 0.000 -0.000 -7.797) 7.797 15.403 ( 0.000 -0.000 -0.298) 0.298 15.580 ( 0.000 -0.000 -17.757) 17.757 ======================= Grid point 432 (131/155) ======================= q-point: ( 0.10 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( 4.607 -0.000 11.430) 12.323 1.609 ( 5.404 -0.000 2.555) 5.978 1.658 ( 6.512 -0.000 -3.051) 7.192 1.823 ( 4.552 -0.000 -8.145) 9.330 2.268 ( -3.097 0.000 2.385) 3.909 2.294 ( -1.557 0.000 0.114) 1.561 2.792 ( 3.995 -0.000 4.518) 6.031 2.899 ( 4.078 -0.000 -5.661) 6.977 2.925 ( 6.452 -0.000 3.917) 7.548 2.977 ( 3.845 -0.000 -0.562) 3.885 3.298 ( 3.093 -0.000 3.805) 4.904 3.359 ( 3.130 -0.000 -3.071) 4.385 3.605 ( -0.324 0.000 0.850) 0.909 3.629 ( -2.225 0.000 -1.877) 2.911 4.500 ( -3.596 0.000 4.846) 6.035 4.573 ( -3.663 0.000 -2.459) 4.412 5.889 ( 1.850 -0.000 8.690) 8.884 6.108 ( 1.023 -0.000 -11.735) 11.780 8.180 ( 8.829 -0.000 23.673) 25.266 8.445 ( 16.480 -0.000 -3.561) 16.861 9.492 ( -3.852 0.000 30.896) 31.135 9.982 ( 2.380 -0.000 -12.449) 12.675 10.647 ( 15.917 -0.000 -2.511) 16.114 10.801 ( 31.325 -0.000 -13.471) 34.098 13.020 ( 4.851 -0.000 10.848) 11.883 13.250 ( 5.119 -0.000 -11.839) 12.898 15.082 ( -9.891 0.000 7.708) 12.540 15.091 ( -17.898 0.000 11.665) 21.364 15.632 ( -6.241 0.000 5.921) 8.603 15.947 ( -8.526 0.000 -19.920) 21.668 ======================= Grid point 433 (132/155) ======================= q-point: ( 0.20 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( 5.285 -0.575 9.803) 11.152 1.675 ( 2.977 -0.922 -3.644) 4.795 1.760 ( 4.356 0.746 1.309) 4.609 1.869 ( 1.420 0.593 -5.538) 5.748 2.204 ( -3.694 0.680 2.718) 4.636 2.252 ( -3.257 0.269 -1.755) 3.710 2.826 ( 1.322 0.553 3.027) 3.349 2.891 ( -1.642 0.158 -2.917) 3.351 2.933 ( -5.156 0.824 4.996) 7.227 3.001 ( -2.955 0.798 -0.544) 3.109 3.457 ( 11.679 0.746 2.047) 11.881 3.508 ( 8.960 2.594 -2.730) 9.719 3.590 ( -1.262 -1.290 -0.655) 1.920 3.597 ( 1.832 -1.782 -1.695) 3.067 4.450 ( -1.597 -0.025 4.782) 5.042 4.518 ( -1.804 0.536 -2.010) 2.753 5.921 ( 1.591 -0.081 8.517) 8.665 6.126 ( 0.869 -0.041 -10.618) 10.653 8.321 ( 6.569 -0.047 31.066) 31.753 8.738 ( 15.369 0.041 -10.724) 18.741 9.458 ( -0.563 -0.621 28.474) 28.486 9.988 ( -1.505 -0.786 -21.966) 22.032 11.014 ( 23.080 -0.416 15.191) 27.634 11.378 ( 31.555 -0.321 -18.867) 36.767 13.112 ( 5.123 -0.087 11.305) 12.412 13.345 ( 5.130 -0.073 -11.926) 12.983 14.719 ( -21.025 3.157 21.458) 30.207 14.878 ( -12.619 -0.129 3.331) 13.052 15.520 ( -6.068 -0.101 2.474) 6.553 15.784 ( -8.443 1.238 -20.356) 22.073 ======================= Grid point 434 (133/155) ======================= q-point: ( 0.30 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( 4.377 -1.379 7.987) 9.212 1.735 ( 2.369 -1.531 -2.235) 3.599 1.812 ( 2.575 1.243 -0.371) 2.883 1.885 ( 1.260 0.325 -4.235) 4.430 2.130 ( -3.594 1.179 2.089) 4.321 2.174 ( -4.323 1.376 -2.138) 5.016 2.764 ( -7.368 2.019 6.210) 9.845 2.867 ( -1.716 -0.321 -0.191) 1.756 2.868 ( 0.918 0.525 -0.182) 1.073 2.904 ( -5.458 1.942 -3.469) 6.752 3.496 ( -2.114 1.992 -0.254) 2.916 3.505 ( -1.907 1.567 -0.949) 2.644 3.704 ( 7.921 -2.294 1.965) 8.477 3.763 ( 8.208 -1.325 -3.487) 9.016 4.445 ( 0.629 -0.347 4.636) 4.692 4.505 ( 0.418 0.230 -1.138) 1.234 5.945 ( 0.893 -0.180 8.538) 8.586 6.138 ( 0.415 -0.012 -9.569) 9.578 8.410 ( 3.243 -0.178 36.807) 36.950 8.965 ( 9.337 0.049 -18.228) 20.480 9.468 ( 0.812 -0.524 25.808) 25.826 9.963 ( -1.552 -0.850 -22.207) 22.278 11.400 ( 17.344 -0.474 23.230) 28.994 11.872 ( 21.207 -0.640 -21.816) 30.432 13.200 ( 4.355 -0.543 10.313) 11.208 13.425 ( 3.385 -0.277 -11.938) 12.412 14.329 ( -18.049 3.773 30.434) 35.584 14.661 ( -10.347 0.315 -2.663) 10.688 15.431 ( -3.540 -0.172 0.704) 3.614 15.646 ( -5.407 1.103 -19.311) 20.084 ======================= Grid point 435 (134/155) ======================= q-point: ( 0.40 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( 0.941 -1.405 6.120) 6.349 1.777 ( 0.482 -1.478 -3.118) 3.484 1.830 ( 1.074 2.445 2.454) 3.627 1.923 ( 3.261 0.465 -4.779) 5.804 2.058 ( -3.474 0.541 2.301) 4.202 2.099 ( -2.284 0.400 -2.020) 3.075 2.650 ( -2.833 0.228 6.688) 7.267 2.804 ( -3.171 0.320 -6.497) 7.237 2.839 ( -2.455 -1.285 1.994) 3.414 2.881 ( 0.553 0.591 -2.340) 2.476 3.449 ( -1.761 0.260 -0.201) 1.791 3.464 ( -1.290 0.288 -1.673) 2.132 3.808 ( 1.999 -0.515 1.820) 2.752 3.854 ( 1.223 -0.099 -2.450) 2.740 4.462 ( 0.656 0.027 4.339) 4.388 4.515 ( 0.596 0.406 -0.564) 0.915 5.955 ( 0.069 -0.169 8.615) 8.617 6.141 ( -0.009 0.018 -8.926) 8.926 8.440 ( -0.038 -0.241 38.688) 38.689 9.050 ( -0.300 -0.139 -21.551) 21.554 9.486 ( 0.852 0.097 25.007) 25.022 9.964 ( 1.609 0.213 -21.589) 21.650 11.573 ( 0.343 -0.280 25.638) 25.642 12.081 ( 0.305 -0.607 -23.099) 23.109 13.258 ( 0.329 -0.921 7.202) 7.268 13.460 ( -0.075 -0.401 -11.729) 11.737 14.077 ( -5.889 0.709 38.766) 39.217 14.548 ( -1.137 -0.001 -7.727) 7.810 15.409 ( 1.492 0.621 -0.310) 1.646 15.585 ( -0.482 0.503 -17.614) 17.628 ======================= Grid point 436 (135/155) ======================= q-point: (-0.50 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( -3.639 0.365 6.363) 7.339 1.764 ( -3.008 -1.429 -5.236) 6.205 1.809 ( -0.722 3.174 5.899) 6.738 1.927 ( -2.112 3.453 -4.966) 6.407 2.061 ( 3.298 -2.847 1.975) 4.784 2.111 ( 3.337 -1.868 -2.880) 4.787 2.677 ( 4.344 -2.777 5.838) 7.789 2.801 ( 0.198 -2.786 -0.802) 2.906 2.813 ( -0.449 -2.491 -1.198) 2.800 2.878 ( -0.541 -0.336 -4.492) 4.537 3.430 ( -1.214 -1.407 0.507) 1.926 3.454 ( -0.506 -0.953 -1.914) 2.197 3.783 ( -4.082 1.642 0.826) 4.476 3.811 ( -5.361 1.267 -1.689) 5.762 4.461 ( -0.526 0.440 4.012) 4.071 4.511 ( -0.555 0.707 -0.529) 1.043 5.949 ( -0.836 -0.016 8.774) 8.814 6.138 ( -0.348 0.003 -9.044) 9.051 8.412 ( -3.388 -0.168 36.297) 36.456 8.959 ( -9.535 -0.288 -17.965) 20.341 9.496 ( 0.874 0.978 26.581) 26.613 10.010 ( 3.910 1.705 -23.354) 23.740 11.416 ( -16.567 0.286 22.802) 28.187 11.887 ( -21.117 -0.070 -22.271) 30.690 13.212 ( -5.038 -0.232 8.943) 10.267 13.428 ( -3.608 -0.287 -11.895) 12.434 14.137 ( 8.974 -5.986 38.409) 39.895 14.628 ( 8.648 -1.618 -8.894) 12.510 15.469 ( 6.047 2.050 -0.985) 6.461 15.619 ( 4.305 0.064 -16.401) 16.956 ======================= Grid point 437 (136/155) ======================= q-point: (-0.40 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( -5.496 1.711 8.889) 10.590 1.707 ( -4.467 -1.441 -4.020) 6.180 1.755 ( -2.799 2.919 2.382) 4.694 1.850 ( -3.564 0.483 -4.331) 5.630 2.162 ( 5.619 -1.254 2.315) 6.205 2.222 ( 6.126 -1.325 -3.232) 7.052 2.778 ( 0.354 -2.086 3.855) 4.398 2.840 ( 5.956 -4.142 3.958) 8.265 2.874 ( 0.014 -1.644 -3.855) 4.191 2.912 ( 4.555 -4.470 -2.932) 7.023 3.395 ( -5.826 -1.763 1.533) 6.277 3.435 ( -4.263 -1.102 -2.522) 5.075 3.661 ( -6.957 2.355 -0.213) 7.348 3.670 ( -5.878 1.953 -1.395) 6.349 4.449 ( -0.252 -0.278 3.417) 3.437 4.493 ( -0.797 -0.280 -0.606) 1.040 5.926 ( -1.673 0.115 9.065) 9.219 6.128 ( -0.740 0.055 -9.967) 9.994 8.322 ( -6.684 -0.072 30.537) 31.260 8.734 ( -15.242 -0.189 -10.707) 18.628 9.507 ( 1.894 1.922 29.330) 29.453 10.051 ( 1.995 2.531 -22.235) 22.468 11.046 ( -21.743 1.234 13.546) 25.647 11.396 ( -31.481 0.361 -18.820) 36.679 13.115 ( -5.605 -0.081 10.992) 12.338 13.346 ( -5.344 -0.127 -11.987) 13.125 14.434 ( 14.479 -12.098 33.069) 38.073 14.845 ( 12.306 -3.048 -5.854) 13.964 15.571 ( 7.287 3.298 -0.989) 8.060 15.724 ( 6.788 -0.633 -16.829) 18.157 ======================= Grid point 438 (137/155) ======================= q-point: (-0.30 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( -4.611 1.838 10.904) 11.980 1.622 ( -7.255 -0.917 5.774) 9.317 1.666 ( -3.336 2.463 -7.225) 8.331 1.793 ( -3.755 -0.938 -6.620) 7.668 2.268 ( 5.326 0.400 2.985) 6.119 2.319 ( 4.171 1.075 -1.654) 4.614 2.787 ( -0.367 -0.481 4.059) 4.104 2.896 ( 0.931 -1.529 -5.771) 6.042 2.944 ( -0.802 -0.257 3.675) 3.770 2.987 ( -2.150 0.174 -0.283) 2.175 3.266 ( -5.413 -2.409 0.882) 5.991 3.289 ( -8.161 -0.852 -1.778) 8.396 3.580 ( -1.996 -1.310 1.132) 2.642 3.613 ( -0.828 -0.929 -2.477) 2.772 4.467 ( 1.385 -1.728 2.927) 3.670 4.504 ( 0.868 -3.086 -0.700) 3.281 5.891 ( -1.989 0.091 9.379) 9.588 6.111 ( -0.973 0.150 -11.281) 11.323 8.181 ( -8.765 0.028 23.428) 25.014 8.444 ( -16.406 -0.060 -3.563) 16.789 9.543 ( 4.495 2.551 31.221) 31.646 10.020 ( -3.737 1.812 -10.436) 11.232 10.691 ( -15.438 2.397 -4.935) 16.384 10.827 ( -29.214 1.205 -14.134) 32.476 13.020 ( -4.907 -0.070 10.846) 11.904 13.250 ( -5.174 -0.050 -11.875) 12.954 14.818 ( 14.493 -15.669 26.349) 33.909 15.082 ( 10.748 -2.380 0.215) 11.010 15.661 ( 5.693 3.495 -0.007) 6.680 15.861 ( 6.779 -2.577 -18.977) 20.315 ======================= Grid point 439 (138/155) ======================= q-point: (-0.20 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( -2.728 1.602 12.721) 13.109 1.456 ( -9.582 2.052 12.985) 16.268 1.614 ( -1.042 1.338 -12.157) 12.275 1.712 ( -5.529 0.331 -11.426) 12.698 2.332 ( 2.488 1.648 2.653) 3.993 2.356 ( 2.248 2.953 0.552) 3.752 2.691 ( -9.280 4.889 3.635) 11.101 2.784 ( -9.097 4.759 -4.390) 11.166 2.872 ( -1.411 0.828 3.493) 3.857 2.953 ( 0.995 -1.843 -3.574) 4.143 3.267 ( 1.676 -3.143 4.302) 5.585 3.317 ( 2.864 -4.218 -1.139) 5.225 3.568 ( -1.373 -2.603 2.166) 3.655 3.625 ( -0.001 -2.600 -3.648) 4.480 4.520 ( 1.900 -3.093 3.544) 5.073 4.569 ( 1.956 -4.945 -1.314) 5.478 5.859 ( -1.360 -0.024 9.559) 9.655 6.094 ( -0.685 0.158 -12.413) 12.433 8.032 ( -6.885 0.136 17.733) 19.023 8.188 ( -11.025 -0.019 0.894) 11.061 9.634 ( 8.079 2.652 32.097) 33.204 9.913 ( -5.648 0.515 5.010) 7.568 10.306 ( -22.723 0.418 -6.515) 23.642 10.533 ( -4.317 4.630 -27.395) 28.116 12.947 ( -3.000 -0.002 10.200) 10.632 13.173 ( -3.215 -0.002 -11.812) 12.242 15.165 ( 8.856 -13.392 16.997) 23.381 15.249 ( 6.428 -1.470 6.163) 9.026 15.717 ( 3.077 1.728 2.906) 4.572 15.998 ( 4.630 -4.808 -20.379) 21.444 ======================= Grid point 440 (139/155) ======================= q-point: (-0.10 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( 0.000 2.236 16.196) 16.349 1.336 ( 0.000 2.179 12.997) 13.179 1.599 ( 0.000 1.539 -12.692) 12.785 1.634 ( 0.000 1.065 -15.246) 15.283 2.335 ( 0.000 1.596 2.730) 3.163 2.355 ( 0.000 2.689 0.744) 2.790 2.550 ( 0.000 3.778 4.130) 5.597 2.657 ( 0.000 3.573 -5.475) 6.537 2.866 ( 0.000 0.118 6.127) 6.128 2.976 ( -0.000 -1.214 -3.864) 4.050 3.311 ( -0.000 -2.225 5.033) 5.503 3.373 ( -0.000 -2.311 -1.408) 2.706 3.576 ( -0.000 -2.286 2.766) 3.589 3.647 ( -0.000 -2.291 -4.249) 4.827 4.567 ( -0.000 -2.902 4.355) 5.233 4.630 ( -0.000 -4.247 -1.909) 4.656 5.847 ( -0.000 -0.071 9.462) 9.462 6.087 ( 0.000 0.107 -12.906) 12.907 7.964 ( 0.000 0.140 15.643) 15.644 8.084 ( -0.000 -0.004 2.147) 2.147 9.731 ( 0.000 2.487 38.153) 38.234 9.854 ( 0.000 0.071 9.854) 9.855 10.051 ( 0.000 0.093 -10.282) 10.282 10.465 ( 0.000 3.841 -33.354) 33.574 12.919 ( 0.000 0.023 9.910) 9.910 13.143 ( 0.000 0.011 -11.812) 11.812 15.275 ( 0.000 0.165 10.102) 10.103 15.373 ( -0.000 -7.718 5.393) 9.415 15.747 ( -0.000 -1.816 8.214) 8.412 16.084 ( -0.000 -4.669 -19.555) 20.105 ======================= Grid point 443 (140/155) ======================= q-point: ( 0.20 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( 4.293 -0.000 7.989) 9.069 1.721 ( 2.473 -0.000 -2.706) 3.666 1.824 ( 2.833 -0.000 -0.280) 2.847 1.888 ( 0.956 -0.000 -3.903) 4.019 2.140 ( -3.887 0.000 2.255) 4.494 2.186 ( -4.236 0.000 -2.132) 4.742 2.783 ( -7.774 0.000 5.870) 9.742 2.858 ( -2.315 0.000 -0.597) 2.391 2.877 ( 0.870 -0.000 0.650) 1.086 2.920 ( -5.680 0.000 -3.121) 6.481 3.517 ( -3.664 0.000 -0.498) 3.698 3.518 ( -2.832 0.000 -0.712) 2.920 3.683 ( 9.429 -0.000 2.305) 9.707 3.750 ( 9.120 -0.000 -4.021) 9.968 4.442 ( 0.700 -0.000 5.054) 5.102 4.507 ( 0.333 -0.000 -1.363) 1.403 5.943 ( 0.883 -0.000 8.484) 8.530 6.138 ( 0.440 -0.000 -9.742) 9.751 8.408 ( 3.190 -0.000 36.945) 37.082 8.965 ( 9.273 -0.000 -18.294) 20.510 9.464 ( 1.130 -0.000 25.687) 25.712 9.956 ( -1.102 0.000 -22.058) 22.086 11.396 ( 17.432 -0.000 23.229) 29.042 11.866 ( 21.157 -0.000 -21.643) 30.266 13.195 ( 4.095 -0.000 10.567) 11.333 13.422 ( 3.295 -0.000 -11.970) 12.415 14.361 ( -19.260 0.000 28.818) 34.661 14.663 ( -10.285 0.000 -1.713) 10.427 15.430 ( -3.274 0.000 1.094) 3.452 15.656 ( -5.836 0.000 -19.560) 20.412 ======================= Grid point 444 (141/155) ======================= q-point: ( 0.30 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( 1.631 -0.601 5.991) 6.238 1.754 ( 0.438 -0.825 -3.786) 3.900 1.872 ( 3.323 2.007 1.784) 4.272 1.920 ( 2.932 -0.636 -1.654) 3.426 2.066 ( -4.172 0.291 1.175) 4.344 2.107 ( -4.056 0.363 -2.572) 4.816 2.655 ( -4.872 0.250 6.790) 8.361 2.802 ( -4.068 -0.467 -5.163) 6.590 2.828 ( -3.824 -0.022 1.567) 4.133 2.887 ( -0.135 0.150 -3.085) 3.091 3.452 ( -3.003 0.070 -0.070) 3.004 3.470 ( -2.017 0.268 -2.064) 2.898 3.801 ( 3.258 -0.290 2.049) 3.860 3.852 ( 2.064 -0.095 -2.806) 3.485 4.463 ( 1.091 0.026 4.930) 5.049 4.521 ( 0.919 0.246 -0.719) 1.192 5.952 ( 0.106 -0.105 8.624) 8.626 6.141 ( -0.003 0.010 -9.156) 9.156 8.437 ( -0.057 -0.150 38.799) 38.799 9.047 ( -0.479 -0.087 -21.589) 21.595 9.488 ( 1.383 0.060 25.062) 25.101 9.967 ( 2.616 0.133 -21.733) 21.890 11.568 ( 0.552 -0.173 25.455) 25.462 12.072 ( 0.449 -0.378 -22.787) 22.795 13.244 ( 0.351 -0.542 8.043) 8.069 13.454 ( -0.131 -0.246 -11.906) 11.910 14.087 ( -9.270 0.415 37.678) 38.804 14.548 ( -1.811 -0.000 -7.616) 7.828 15.419 ( 2.344 0.386 -0.337) 2.399 15.592 ( -0.782 0.306 -17.381) 17.402 ======================= Grid point 445 (142/155) ======================= q-point: (-0.60 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( -2.202 -0.043 5.103) 5.558 1.741 ( -2.702 -1.154 -4.186) 5.114 1.872 ( -0.995 4.144 6.194) 7.519 1.981 ( -5.025 1.561 -0.998) 5.355 2.017 ( 6.461 -1.282 -0.492) 6.605 2.082 ( 2.430 -1.722 -4.079) 5.051 2.636 ( 2.154 -1.991 5.504) 6.237 2.762 ( -0.857 -1.737 -4.710) 5.093 2.779 ( -2.123 -1.523 2.527) 3.635 2.870 ( -1.702 -0.577 -5.486) 5.772 3.414 ( -1.759 -0.619 0.826) 2.039 3.444 ( -1.069 -0.307 -2.446) 2.687 3.801 ( -2.891 0.683 0.787) 3.073 3.827 ( -4.403 0.711 -1.586) 4.733 4.467 ( -0.605 0.305 4.635) 4.684 4.523 ( -0.511 0.645 -0.618) 1.029 5.948 ( -0.743 -0.103 8.870) 8.902 6.138 ( -0.348 0.014 -9.096) 9.102 8.408 ( -3.355 -0.223 36.232) 36.388 8.955 ( -9.530 -0.230 -17.920) 20.298 9.510 ( 1.552 0.652 26.981) 27.034 10.035 ( 4.867 1.175 -24.039) 24.555 11.419 ( -16.058 0.046 22.306) 27.485 11.882 ( -20.930 -0.422 -22.053) 30.406 13.204 ( -4.786 -0.615 8.785) 10.023 13.421 ( -3.569 -0.404 -12.023) 12.548 14.058 ( 4.073 -3.346 40.812) 41.151 14.603 ( 6.782 -1.245 -11.671) 13.556 15.502 ( 7.318 1.609 -1.456) 7.633 15.625 ( 4.595 0.527 -14.653) 15.366 ======================= Grid point 446 (143/155) ======================= q-point: (-0.50 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( -4.548 1.521 7.140) 8.601 1.686 ( -4.256 -1.006 -2.573) 5.074 1.804 ( -2.836 2.851 2.413) 4.690 1.867 ( -5.781 1.094 -2.676) 6.463 2.150 ( 7.671 -0.082 1.410) 7.800 2.202 ( 7.957 -1.043 -3.331) 8.689 2.739 ( 3.505 -2.994 3.465) 5.767 2.766 ( 2.214 -3.871 2.355) 5.043 2.829 ( 3.525 -3.878 -1.613) 5.483 2.853 ( -0.424 -1.928 -6.487) 6.781 3.378 ( -3.786 -0.444 1.925) 4.271 3.422 ( -2.665 -0.504 -2.641) 3.785 3.693 ( -8.778 1.522 -0.375) 8.917 3.699 ( -6.569 1.517 -1.193) 6.846 4.443 ( -1.661 -0.354 4.024) 4.368 4.494 ( -1.947 0.328 -0.708) 2.097 5.927 ( -1.618 0.021 9.324) 9.464 6.129 ( -0.671 0.038 -9.756) 9.780 8.320 ( -6.615 -0.160 30.360) 31.073 8.731 ( -15.097 -0.178 -10.745) 18.531 9.537 ( 2.581 1.554 29.875) 30.027 10.091 ( 2.070 2.129 -22.416) 22.611 11.066 ( -20.530 1.015 11.910) 23.756 11.397 ( -31.379 -0.210 -18.367) 36.360 13.111 ( -5.628 -0.375 10.748) 12.138 13.342 ( -5.292 -0.327 -12.073) 13.186 14.245 ( 9.659 -9.898 38.274) 40.696 14.782 ( 10.108 -4.015 -12.363) 16.466 15.629 ( 8.551 3.323 -1.700) 9.330 15.730 ( 7.310 1.129 -13.252) 15.176 ======================= Grid point 447 (144/155) ======================= q-point: (-0.40 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( -3.908 2.725 9.632) 10.745 1.608 ( -5.485 -0.639 3.091) 6.328 1.711 ( -4.307 2.707 -4.419) 6.739 1.784 ( -3.495 -0.189 -5.287) 6.340 2.284 ( 7.557 1.698 3.048) 8.324 2.339 ( 6.835 1.400 -1.862) 7.222 2.775 ( 1.468 -1.001 1.451) 2.294 2.856 ( 0.708 -3.404 -5.125) 6.193 2.915 ( 4.773 -2.942 2.767) 6.252 2.957 ( 4.341 -3.899 -0.632) 5.869 3.250 ( -8.994 1.306 2.239) 9.360 3.304 ( -9.646 2.207 -2.941) 10.323 3.556 ( -5.119 -1.658 1.219) 5.517 3.594 ( -4.066 -1.325 -2.962) 5.202 4.432 ( -0.524 -2.468 2.692) 3.689 4.464 ( -1.553 -1.614 -0.236) 2.252 5.892 ( -2.026 0.103 9.904) 10.109 6.114 ( -0.888 0.143 -10.951) 10.988 8.181 ( -8.629 0.001 23.269) 24.818 8.443 ( -16.328 -0.058 -3.570) 16.714 9.585 ( 4.954 2.420 31.473) 31.952 10.049 ( -5.106 1.636 -8.619) 10.151 10.735 ( -15.544 2.806 -7.502) 17.487 10.843 ( -26.570 0.636 -14.547) 30.298 13.018 ( -4.853 -0.194 10.795) 11.837 13.249 ( -5.119 -0.164 -11.920) 12.973 14.540 ( 10.432 -16.527 34.363) 39.532 15.006 ( 9.490 -6.294 -9.200) 14.639 15.734 ( 6.605 4.800 -1.347) 8.275 15.849 ( 6.628 1.103 -14.389) 15.880 ======================= Grid point 448 (145/155) ======================= q-point: (-0.30 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( -2.113 3.076 11.943) 12.513 1.489 ( -6.772 1.870 11.049) 13.094 1.643 ( -0.905 2.092 -10.932) 11.167 1.719 ( -3.905 0.411 -9.929) 10.677 2.372 ( 4.222 3.324 3.444) 6.383 2.415 ( 4.381 4.226 -0.242) 6.092 2.775 ( -3.428 4.283 3.165) 6.334 2.871 ( -5.237 4.540 -3.311) 7.681 2.901 ( -3.171 1.974 -1.595) 4.061 2.920 ( -2.212 -0.142 -1.237) 2.538 3.205 ( 0.125 -3.937 2.403) 4.614 3.229 ( 3.465 -6.038 0.046) 6.962 3.512 ( -3.016 -4.107 1.965) 5.461 3.569 ( -1.783 -4.124 -3.927) 5.967 4.463 ( 0.578 -3.713 1.833) 4.181 4.479 ( 0.220 -5.342 0.238) 5.352 5.859 ( -1.430 0.048 10.271) 10.370 6.098 ( -0.664 0.223 -12.111) 12.131 8.035 ( -6.751 0.190 17.591) 18.843 8.188 ( -11.020 -0.029 1.075) 11.072 9.682 ( 8.482 2.996 31.712) 32.963 9.921 ( -6.406 0.492 5.911) 8.730 10.317 ( -22.675 0.778 -4.936) 23.219 10.618 ( -3.079 5.286 -30.463) 31.071 12.947 ( -2.924 -0.028 10.198) 10.609 13.173 ( -3.168 -0.030 -11.806) 12.224 14.862 ( 7.279 -20.723 29.082) 36.444 15.200 ( 5.796 -5.728 -2.931) 8.660 15.781 ( 3.338 5.336 -0.701) 6.333 15.943 ( 3.942 -0.930 -17.517) 17.979 ======================= Grid point 449 (146/155) ======================= q-point: (-0.20 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( 0.000 3.112 14.987) 15.306 1.386 ( 0.000 3.747 12.073) 12.641 1.632 ( 0.000 2.226 -11.658) 11.868 1.655 ( 0.000 1.375 -13.965) 14.032 2.378 ( 0.000 3.639 3.628) 5.139 2.419 ( 0.000 5.061 -0.104) 5.062 2.641 ( 0.000 7.058 3.982) 8.104 2.743 ( 0.000 6.747 -5.189) 8.512 2.870 ( 0.000 0.241 3.085) 3.094 2.946 ( -0.000 -2.358 -3.622) 4.322 3.257 ( -0.000 -4.244 4.658) 6.302 3.316 ( -0.000 -4.541 -1.046) 4.660 3.520 ( -0.000 -4.516 2.561) 5.191 3.591 ( -0.000 -4.472 -4.460) 6.316 4.504 ( -0.000 -4.340 2.740) 5.132 4.537 ( -0.000 -6.470 -0.582) 6.496 5.846 ( -0.000 -0.041 10.145) 10.145 6.089 ( 0.000 0.203 -12.665) 12.667 7.967 ( 0.000 0.254 15.522) 15.524 8.084 ( -0.000 -0.023 2.384) 2.384 9.785 ( 0.000 3.784 39.207) 39.389 9.855 ( 0.000 0.115 9.873) 9.873 10.053 ( 0.000 0.150 -10.314) 10.315 10.548 ( 0.000 5.839 -35.249) 35.729 12.920 ( 0.000 0.036 9.906) 9.906 13.143 ( 0.000 0.016 -11.790) 11.790 15.105 ( -0.000 -19.885 22.680) 30.163 15.289 ( -0.000 -2.916 3.112) 4.265 15.769 ( 0.000 4.250 0.691) 4.306 16.001 ( -0.000 -3.962 -20.047) 20.435 ======================= Grid point 454 (147/155) ======================= q-point: ( 0.30 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( -1.587 0.000 4.604) 4.870 1.731 ( -2.472 0.000 -3.725) 4.470 1.928 ( -3.035 0.000 6.078) 6.794 1.953 ( 0.540 -0.000 4.606) 4.637 2.040 ( 3.530 -0.000 -3.577) 5.026 2.056 ( 1.528 -0.000 -6.250) 6.434 2.619 ( 1.030 -0.000 5.514) 5.609 2.747 ( -1.539 0.000 -5.742) 5.944 2.766 ( -2.479 0.000 3.334) 4.154 2.864 ( -2.179 0.000 -5.857) 6.249 3.409 ( -1.838 0.000 0.950) 2.069 3.442 ( -1.313 0.000 -2.672) 2.978 3.807 ( -2.443 0.000 0.812) 2.575 3.833 ( -4.044 0.000 -1.617) 4.355 4.470 ( -0.639 0.000 4.971) 5.012 4.529 ( -0.500 0.000 -0.672) 0.837 5.947 ( -0.697 0.000 8.910) 8.937 6.138 ( -0.349 0.000 -9.166) 9.172 8.406 ( -3.325 0.000 36.234) 36.386 8.953 ( -9.513 0.000 -17.915) 20.284 9.516 ( 1.802 -0.000 27.147) 27.207 10.045 ( 5.226 -0.000 -24.333) 24.888 11.419 ( -15.832 0.000 22.051) 27.145 11.878 ( -20.850 0.000 -21.870) 30.216 13.198 ( -4.612 0.000 8.884) 10.010 13.418 ( -3.539 0.000 -12.112) 12.618 14.030 ( 2.110 -0.000 41.466) 41.519 14.592 ( 5.919 -0.000 -12.666) 13.981 15.516 ( 7.791 -0.000 -1.604) 7.954 15.630 ( 4.813 -0.000 -13.969) 14.775 ======================= Grid point 455 (148/155) ======================= q-point: (-0.60 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( -3.423 0.716 5.460) 6.483 1.674 ( -3.918 -0.381 -1.960) 4.397 1.845 ( -3.949 1.847 2.450) 5.001 1.875 ( -6.560 -0.241 -0.000) 6.564 2.158 ( 9.040 0.731 0.026) 9.069 2.188 ( 9.624 -0.600 -2.974) 10.091 2.685 ( 4.670 -2.273 3.299) 6.153 2.727 ( -0.586 -1.209 -0.088) 1.347 2.783 ( 3.341 -1.353 -1.754) 4.009 2.830 ( -1.279 -0.788 -6.078) 6.261 3.375 ( -2.438 -0.000 1.908) 3.096 3.417 ( -1.893 -0.139 -2.503) 3.141 3.711 ( -9.144 0.574 -0.415) 9.172 3.717 ( -7.132 0.521 -1.197) 7.250 4.439 ( -2.599 -0.121 4.749) 5.415 4.499 ( -2.562 0.200 -0.966) 2.745 5.927 ( -1.533 -0.009 9.467) 9.590 6.129 ( -0.632 0.018 -9.706) 9.727 8.318 ( -6.521 -0.084 30.305) 30.999 8.729 ( -14.985 -0.074 -10.787) 18.464 9.555 ( 2.969 0.600 30.242) 30.393 10.117 ( 2.031 0.846 -22.520) 22.627 11.078 ( -19.523 0.418 10.493) 22.168 11.393 ( -31.371 -0.242 -17.780) 36.060 13.105 ( -5.489 -0.249 10.649) 11.983 13.338 ( -5.186 -0.186 -12.167) 13.228 14.129 ( 6.474 -3.728 40.990) 41.665 14.730 ( 8.175 -1.816 -16.079) 18.129 15.670 ( 9.313 1.372 -1.864) 9.597 15.749 ( 8.056 0.747 -11.162) 13.786 ======================= Grid point 456 (149/155) ======================= q-point: (-0.50 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( -2.767 2.571 7.613) 8.499 1.599 ( -4.828 -0.510 3.057) 5.737 1.748 ( -4.820 1.594 -3.090) 5.944 1.784 ( -3.595 0.132 -4.065) 5.429 2.323 ( 10.208 2.729 2.595) 10.881 2.364 ( 9.704 1.488 -1.128) 9.882 2.752 ( 2.028 -1.782 -1.445) 3.062 2.784 ( 1.673 -4.704 -3.233) 5.948 2.869 ( 5.256 -2.180 -0.020) 5.691 2.889 ( 5.601 -3.237 -0.664) 6.504 3.292 ( -6.677 2.820 2.829) 7.780 3.347 ( -6.437 2.484 -2.634) 7.385 3.527 ( -9.691 -1.644 1.163) 9.898 3.572 ( -7.994 -1.249 -3.599) 8.856 4.396 ( -2.471 -1.616 3.800) 4.812 4.446 ( -3.041 -0.626 -0.937) 3.243 5.894 ( -1.980 0.079 10.274) 10.464 6.116 ( -0.793 0.097 -10.732) 10.762 8.181 ( -8.468 -0.013 23.180) 24.678 8.442 ( -16.257 -0.035 -3.580) 16.646 9.618 ( 5.262 1.465 31.701) 32.168 10.071 ( -6.325 0.951 -7.086) 9.546 10.782 ( -16.259 2.699 -10.550) 19.569 10.844 ( -23.581 -0.642 -14.212) 27.540 13.014 ( -4.698 -0.219 10.737) 11.722 13.246 ( -4.987 -0.172 -11.979) 12.977 14.310 ( 7.005 -10.328 39.477) 41.402 14.902 ( 7.465 -5.321 -16.475) 18.853 15.804 ( 7.354 3.246 -1.429) 8.165 15.880 ( 7.354 2.036 -10.649) 13.100 ======================= Grid point 457 (150/155) ======================= q-point: (-0.40 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( -2.399 3.168 10.734) 11.446 1.516 ( -3.810 1.337 9.023) 9.885 1.677 ( -1.288 1.855 -8.700) 8.989 1.724 ( -3.081 0.187 -8.711) 9.242 2.443 ( 6.211 5.122 3.796) 8.900 2.495 ( 7.605 5.236 -0.283) 9.238 2.806 ( 2.182 -0.752 -0.992) 2.513 2.852 ( 2.136 -3.190 -4.468) 5.891 2.953 ( -0.861 2.545 1.634) 3.145 2.983 ( -1.220 2.851 -1.031) 3.268 3.141 ( -1.826 -2.267 1.969) 3.515 3.173 ( -5.715 0.969 -0.653) 5.833 3.432 ( -5.339 -5.575 1.598) 7.883 3.489 ( -4.331 -5.406 -4.539) 8.282 4.390 ( -0.798 -4.232 2.323) 4.893 4.417 ( -1.473 -2.539 -0.171) 2.941 5.861 ( -1.443 0.133 10.920) 11.016 6.101 ( -0.603 0.224 -11.816) 11.833 8.038 ( -6.591 0.172 17.439) 18.644 8.187 ( -11.035 -0.029 1.276) 11.109 9.727 ( 8.771 2.267 31.160) 32.450 9.928 ( -7.054 0.294 6.613) 9.673 10.330 ( -22.796 0.747 -3.392) 23.059 10.698 ( -1.691 4.134 -33.411) 33.709 12.946 ( -2.795 -0.055 10.187) 10.563 13.172 ( -3.072 -0.051 -11.806) 12.199 14.536 ( 4.972 -17.202 36.868) 40.987 15.072 ( 4.750 -8.372 -13.613) 16.672 15.871 ( 3.814 4.951 -1.077) 6.342 15.965 ( 4.100 2.713 -12.187) 13.141 ======================= Grid point 458 (151/155) ======================= q-point: (-0.30 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( 0.000 2.581 13.628) 13.870 1.453 ( 0.000 4.125 10.477) 11.260 1.666 ( 0.000 1.769 -9.747) 9.906 1.675 ( 0.000 1.035 -12.581) 12.623 2.455 ( 0.000 5.544 4.424) 7.093 2.521 ( 0.000 7.045 -1.084) 7.128 2.777 ( 0.000 9.141 4.032) 9.991 2.869 ( -0.000 -0.848 -0.728) 1.118 2.874 ( 0.000 8.884 -4.636) 10.021 2.902 ( -0.000 -2.471 -3.149) 4.003 3.175 ( -0.000 -5.343 3.924) 6.629 3.226 ( -0.000 -6.121 -0.515) 6.143 3.428 ( -0.000 -6.545 2.236) 6.916 3.500 ( -0.000 -6.350 -4.953) 8.054 4.429 ( -0.000 -5.824 1.190) 5.944 4.434 ( -0.000 -4.221 0.792) 4.295 5.846 ( 0.000 0.091 10.933) 10.933 6.093 ( 0.000 0.270 -12.367) 12.370 7.972 ( 0.000 0.291 15.338) 15.340 8.083 ( -0.000 -0.048 2.711) 2.712 9.847 ( 0.000 3.532 40.364) 40.518 9.857 ( 0.000 0.115 9.895) 9.896 10.055 ( 0.000 0.151 -10.356) 10.357 10.646 ( 0.000 5.593 -37.662) 38.075 12.920 ( 0.000 0.035 9.900) 9.901 13.144 ( 0.000 0.015 -11.763) 11.763 14.747 ( -0.000 -21.354 33.115) 39.403 15.190 ( -0.000 -8.608 -8.370) 12.007 15.859 ( 0.000 5.834 -0.964) 5.914 15.982 ( 0.000 1.599 -14.907) 14.992 ======================= Grid point 465 (152/155) ======================= q-point: (-0.60 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( -1.758 0.000 6.197) 6.442 1.593 ( -5.172 0.000 3.627) 6.317 1.761 ( -5.019 0.000 -2.465) 5.592 1.785 ( -3.677 0.000 -3.534) 5.100 2.353 ( 12.155 -0.000 2.097) 12.335 2.377 ( 10.963 -0.000 -0.337) 10.968 2.733 ( 1.339 -0.000 -1.862) 2.293 2.736 ( 2.182 -0.000 -3.107) 3.797 2.851 ( 4.443 -0.000 -1.184) 4.598 2.862 ( 5.746 -0.000 -1.026) 5.837 3.319 ( -4.113 0.000 2.974) 5.076 3.371 ( -3.320 0.000 -2.181) 3.973 3.511 ( -13.156 0.000 1.122) 13.204 3.560 ( -10.335 0.000 -4.046) 11.099 4.382 ( -3.221 0.000 4.342) 5.407 4.441 ( -3.594 0.000 -1.274) 3.813 5.895 ( -1.942 0.000 10.404) 10.584 6.117 ( -0.751 0.000 -10.659) 10.686 8.180 ( -8.395 0.000 23.154) 24.629 8.442 ( -16.228 0.000 -3.585) 16.619 9.631 ( 5.368 -0.000 31.802) 32.252 10.079 ( -6.820 0.000 -6.475) 9.404 10.819 ( -8.399 0.000 -15.457) 17.591 10.824 ( -30.503 0.000 -10.445) 32.242 13.012 ( -4.601 0.000 10.720) 11.666 13.244 ( -4.914 0.000 -12.011) 12.977 14.221 ( 5.655 -0.000 41.259) 41.644 14.855 ( 6.555 -0.000 -18.918) 20.022 15.832 ( 7.623 -0.000 -1.345) 7.741 15.900 ( 7.725 -0.000 -9.487) 12.235 ======================= Grid point 467 (153/155) ======================= q-point: (-0.50 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( -4.394 1.289 10.120) 11.108 1.532 ( -0.580 0.589 7.261) 7.308 1.701 ( -1.596 0.859 -6.310) 6.565 1.724 ( -2.967 -0.150 -8.431) 8.939 2.530 ( 7.614 4.524 3.508) 9.526 2.572 ( 11.550 2.996 1.161) 11.989 2.760 ( 1.174 -2.916 -2.424) 3.969 2.808 ( 4.316 -2.245 -5.614) 7.429 2.952 ( 5.091 -1.107 1.247) 5.357 2.977 ( 6.287 -1.272 -0.954) 6.485 3.193 ( -8.971 6.061 3.818) 11.480 3.238 ( -9.158 4.995 -0.203) 10.434 3.331 ( -7.674 -6.344 0.597) 9.974 3.398 ( -7.505 -4.941 -6.632) 11.168 4.340 ( -1.837 -1.594 3.451) 4.222 4.388 ( -2.325 -0.889 -1.115) 2.727 5.863 ( -1.418 0.078 11.289) 11.378 6.104 ( -0.546 0.099 -11.630) 11.643 8.040 ( -6.478 0.070 17.341) 18.511 8.187 ( -11.056 -0.013 1.410) 11.145 9.754 ( 8.910 0.847 30.792) 32.066 9.931 ( -7.445 0.084 6.963) 10.194 10.339 ( -22.883 0.307 -2.441) 23.015 10.747 ( -0.771 1.581 -35.335) 35.379 12.945 ( -2.674 -0.033 10.178) 10.523 13.171 ( -2.983 -0.027 -11.811) 12.182 14.332 ( 3.521 -6.629 40.978) 41.660 14.964 ( 3.831 -3.761 -19.268) 20.002 15.930 ( 4.081 1.955 -0.803) 4.596 16.005 ( 4.429 1.539 -9.628) 10.709 ======================= Grid point 468 (154/155) ======================= q-point: (-0.40 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( 0.000 1.370 12.628) 12.702 1.513 ( 0.000 2.870 8.624) 9.089 1.687 ( 0.000 0.725 -7.471) 7.506 1.688 ( 0.000 0.506 -11.611) 11.622 2.554 ( 0.000 6.065 4.679) 7.661 2.645 ( 0.000 7.472 -2.424) 7.855 2.821 ( -0.000 -4.109 -0.212) 4.114 2.879 ( -0.000 -1.330 -4.964) 5.139 2.932 ( 0.000 8.999 4.658) 10.133 3.028 ( 0.000 9.336 -3.669) 10.031 3.092 ( -0.000 -4.222 2.612) 4.964 3.126 ( -0.000 -5.209 -0.161) 5.211 3.307 ( -0.000 -7.900 1.717) 8.084 3.386 ( -0.000 -7.150 -6.114) 9.407 4.347 ( -0.000 -3.645 2.655) 4.510 4.381 ( -0.000 -2.260 -0.618) 2.343 5.848 ( 0.000 0.142 11.524) 11.525 6.098 ( 0.000 0.212 -12.109) 12.111 7.976 ( 0.000 0.201 15.157) 15.159 8.083 ( -0.000 -0.044 3.007) 3.008 9.859 ( 0.000 0.071 9.913) 9.913 9.895 ( 0.000 2.082 41.244) 41.297 10.057 ( 0.000 0.093 -10.391) 10.391 10.723 ( 0.000 3.453 -39.867) 40.017 12.921 ( 0.000 0.021 9.896) 9.896 13.144 ( 0.000 0.008 -11.741) 11.741 14.449 ( -0.000 -13.385 39.437) 41.646 15.047 ( -0.000 -7.306 -17.311) 18.790 15.943 ( 0.000 3.824 -0.741) 3.895 16.027 ( 0.000 2.787 -10.642) 11.001 ======================= Grid point 478 (155/155) ======================= q-point: ( 0.50 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 6.61e-05 6.61e-05 1.94e-05 1.94e-05 Number of triplets: 142 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( 0.000 0.000 12.268) 12.268 1.539 ( 0.000 0.000 7.692) 7.692 1.692 ( 0.000 0.000 -6.336) 6.336 1.692 ( 0.000 0.000 -11.273) 11.273 2.621 ( -0.000 -0.000 4.517) 4.517 2.726 ( 0.000 0.000 -4.771) 4.771 2.773 ( 0.000 0.000 2.410) 2.410 2.853 ( 0.000 0.000 -5.148) 5.148 3.029 ( -0.000 -0.000 6.189) 6.189 3.053 ( 0.000 0.000 1.754) 1.754 3.079 ( -0.000 -0.000 -0.602) 0.602 3.159 ( 0.000 0.000 -5.228) 5.228 3.189 ( 0.000 0.000 3.793) 3.793 3.304 ( 0.000 0.000 -8.177) 8.177 4.316 ( 0.000 0.000 3.284) 3.284 4.362 ( 0.000 0.000 -1.164) 1.164 5.850 ( 0.000 0.000 11.737) 11.737 6.100 ( 0.000 0.000 -12.003) 12.003 7.978 ( 0.000 0.000 15.080) 15.080 8.082 ( 0.000 0.000 3.128) 3.128 9.859 ( 0.000 0.000 9.920) 9.920 9.913 ( 0.000 0.000 41.579) 41.579 10.058 ( 0.000 0.000 -10.404) 10.404 10.753 ( 0.000 0.000 -40.817) 40.817 12.921 ( 0.000 0.000 9.894) 9.894 13.144 ( 0.000 0.000 -11.733) 11.733 14.334 ( 0.000 0.000 41.671) 41.671 14.982 ( 0.000 0.000 -20.224) 20.224 15.976 ( 0.000 0.000 -0.519) 0.519 16.053 ( 0.000 0.000 -9.450) 9.450 =================== 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 3/27000 10.0 503.400 510.922 520.137 0.000 0.000 0.000 3/27000 20.0 99.521 63.790 122.175 0.000 0.000 0.000 3/27000 30.0 36.421 20.301 46.545 0.000 0.000 0.000 3/27000 40.0 20.298 10.584 26.329 0.000 0.000 0.000 3/27000 50.0 13.876 6.984 18.200 0.000 0.000 0.000 3/27000 60.0 10.571 5.206 14.060 0.000 0.000 0.000 3/27000 70.0 8.587 4.161 11.619 0.000 0.000 0.000 3/27000 80.0 7.270 3.477 10.023 0.000 0.000 0.000 3/27000 90.0 6.333 2.994 8.895 0.000 0.000 0.000 3/27000 100.0 5.630 2.635 8.047 0.000 0.000 0.000 3/27000 110.0 5.081 2.359 7.380 0.000 0.000 0.000 3/27000 120.0 4.639 2.139 6.835 0.000 0.000 0.000 3/27000 130.0 4.275 1.960 6.378 0.000 0.000 0.000 3/27000 140.0 3.968 1.811 5.987 0.000 0.000 0.000 3/27000 150.0 3.705 1.685 5.646 0.000 0.000 0.000 3/27000 160.0 3.478 1.577 5.345 0.000 0.000 0.000 3/27000 170.0 3.278 1.484 5.077 0.000 0.000 0.000 3/27000 180.0 3.101 1.401 4.836 0.000 0.000 0.000 3/27000 190.0 2.943 1.328 4.618 0.000 0.000 0.000 3/27000 200.0 2.800 1.263 4.418 0.000 0.000 0.000 3/27000 210.0 2.672 1.205 4.236 0.000 0.000 0.000 3/27000 220.0 2.555 1.151 4.068 0.000 0.000 0.000 3/27000 230.0 2.447 1.103 3.913 0.000 0.000 0.000 3/27000 240.0 2.349 1.059 3.770 0.000 0.000 0.000 3/27000 250.0 2.259 1.018 3.636 0.000 0.000 0.000 3/27000 260.0 2.175 0.980 3.511 0.000 0.000 0.000 3/27000 270.0 2.097 0.945 3.395 0.000 0.000 0.000 3/27000 280.0 2.025 0.913 3.286 0.000 0.000 0.000 3/27000 290.0 1.957 0.882 3.183 0.000 0.000 0.000 3/27000 300.0 1.894 0.854 3.087 0.000 0.000 0.000 3/27000 310.0 1.835 0.828 2.996 0.000 0.000 0.000 3/27000 320.0 1.779 0.803 2.911 0.000 0.000 0.000 3/27000 330.0 1.727 0.779 2.830 0.000 0.000 0.000 3/27000 340.0 1.678 0.757 2.753 0.000 0.000 0.000 3/27000 350.0 1.631 0.736 2.680 0.000 0.000 0.000 3/27000 360.0 1.587 0.717 2.611 0.000 0.000 0.000 3/27000 370.0 1.545 0.698 2.545 0.000 0.000 0.000 3/27000 380.0 1.506 0.680 2.483 0.000 0.000 0.000 3/27000 390.0 1.468 0.663 2.423 0.000 0.000 0.000 3/27000 400.0 1.432 0.647 2.366 0.000 0.000 0.000 3/27000 410.0 1.398 0.632 2.312 0.000 0.000 0.000 3/27000 420.0 1.366 0.617 2.260 0.000 0.000 0.000 3/27000 430.0 1.335 0.603 2.210 0.000 0.000 0.000 3/27000 440.0 1.305 0.590 2.163 0.000 0.000 0.000 3/27000 450.0 1.276 0.577 2.117 0.000 0.000 0.000 3/27000 460.0 1.249 0.565 2.073 0.000 0.000 0.000 3/27000 470.0 1.223 0.553 2.031 0.000 0.000 0.000 3/27000 480.0 1.198 0.542 1.991 0.000 0.000 0.000 3/27000 490.0 1.174 0.531 1.952 0.000 0.000 0.000 3/27000 500.0 1.151 0.521 1.915 0.000 0.000 0.000 3/27000 510.0 1.129 0.511 1.879 0.000 0.000 0.000 3/27000 520.0 1.108 0.501 1.844 0.000 0.000 0.000 3/27000 530.0 1.087 0.492 1.810 0.000 0.000 0.000 3/27000 540.0 1.067 0.483 1.778 0.000 0.000 0.000 3/27000 550.0 1.048 0.475 1.747 0.000 0.000 0.000 3/27000 560.0 1.030 0.466 1.717 0.000 0.000 0.000 3/27000 570.0 1.012 0.458 1.688 0.000 0.000 0.000 3/27000 580.0 0.995 0.451 1.660 0.000 0.000 0.000 3/27000 590.0 0.978 0.443 1.633 0.000 0.000 0.000 3/27000 600.0 0.962 0.436 1.606 0.000 0.000 0.000 3/27000 610.0 0.946 0.429 1.581 0.000 0.000 0.000 3/27000 620.0 0.931 0.422 1.556 0.000 0.000 0.000 3/27000 630.0 0.917 0.416 1.532 0.000 0.000 0.000 3/27000 640.0 0.903 0.409 1.509 0.000 0.000 0.000 3/27000 650.0 0.889 0.403 1.486 0.000 0.000 0.000 3/27000 660.0 0.876 0.397 1.464 0.000 0.000 0.000 3/27000 670.0 0.863 0.391 1.443 0.000 0.000 0.000 3/27000 680.0 0.850 0.385 1.422 0.000 0.000 0.000 3/27000 690.0 0.838 0.380 1.402 0.000 0.000 0.000 3/27000 700.0 0.826 0.375 1.383 0.000 0.000 0.000 3/27000 710.0 0.815 0.369 1.364 0.000 0.000 0.000 3/27000 720.0 0.803 0.364 1.345 0.000 0.000 0.000 3/27000 730.0 0.793 0.359 1.327 0.000 0.000 0.000 3/27000 740.0 0.782 0.355 1.309 0.000 0.000 0.000 3/27000 750.0 0.772 0.350 1.292 0.000 0.000 0.000 3/27000 760.0 0.762 0.345 1.276 0.000 0.000 0.000 3/27000 770.0 0.752 0.341 1.259 0.000 0.000 0.000 3/27000 780.0 0.742 0.337 1.244 0.000 0.000 0.000 3/27000 790.0 0.733 0.332 1.228 0.000 0.000 0.000 3/27000 800.0 0.724 0.328 1.213 0.000 0.000 0.000 3/27000 810.0 0.715 0.324 1.198 0.000 0.000 0.000 3/27000 820.0 0.706 0.320 1.184 0.000 0.000 0.000 3/27000 830.0 0.698 0.317 1.170 0.000 0.000 0.000 3/27000 840.0 0.690 0.313 1.156 0.000 0.000 0.000 3/27000 850.0 0.682 0.309 1.143 0.000 0.000 0.000 3/27000 860.0 0.674 0.306 1.130 0.000 0.000 0.000 3/27000 870.0 0.666 0.302 1.117 0.000 0.000 0.000 3/27000 880.0 0.659 0.299 1.105 0.000 0.000 0.000 3/27000 890.0 0.651 0.296 1.092 0.000 0.000 0.000 3/27000 900.0 0.644 0.292 1.081 0.000 0.000 0.000 3/27000 910.0 0.637 0.289 1.069 0.000 0.000 0.000 3/27000 920.0 0.630 0.286 1.057 0.000 0.000 0.000 3/27000 930.0 0.623 0.283 1.046 0.000 0.000 0.000 3/27000 940.0 0.617 0.280 1.035 0.000 0.000 0.000 3/27000 950.0 0.610 0.277 1.024 0.000 0.000 0.000 3/27000 960.0 0.604 0.274 1.014 0.000 0.000 0.000 3/27000 970.0 0.598 0.271 1.004 0.000 0.000 0.000 3/27000 980.0 0.592 0.269 0.994 0.000 0.000 0.000 3/27000 990.0 0.586 0.266 0.984 0.000 0.000 0.000 3/27000 1000.0 0.580 0.263 0.974 0.000 0.000 0.000 3/27000 Thermal conductivity related properties were written into "kappa-m10109.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:21:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|