----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:41:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3c (167) Number of symmetry operations in supercell: 144 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.238859525991001 1.292606150008660 4.573991699999996 b -2.238859525990996 1.292606150008660 4.573991699999996 c 0.000000000000002 -2.585212300017323 4.573991699999996 Atomic positions (fractional): *1 B 0.75000000000000 0.75000000000000 0.75000000000000 10.811 2 B 0.25000000000000 0.25000000000000 0.25000000000000 10.811 *3 O 0.44097764953059 0.75000000000000 0.05902235046941 15.999 4 O 0.05902235046941 0.44097764953059 0.75000000000000 15.999 5 O 0.25000000000000 0.94097764953059 0.55902235046941 15.999 6 O 0.55902235046941 0.25000000000000 0.94097764953059 15.999 7 O 0.94097764953059 0.55902235046941 0.25000000000000 15.999 8 O 0.75000000000000 0.05902235046941 0.44097764953059 15.999 *9 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 10 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.477719051981997 0.000000000000000 0.000000000000000 b -2.238859525990998 3.877818450025983 0.000000000000000 c 0.000000000000000 0.000000000000000 13.721975100000002 Atomic positions (fractional): *1 B 0.66666666666667 0.33333333333333 0.08333333333333 10.811 > 1 2 B 0.00000000000000 0.00000000000000 0.25000000000000 10.811 > 2 3 B 0.33333333333333 0.66666666666667 0.41666666666667 10.811 > 1 4 B 0.66666666666667 0.33333333333333 0.58333333333333 10.811 > 2 5 B 0.00000000000000 0.00000000000000 0.75000000000000 10.811 > 1 6 B 0.33333333333333 0.66666666666667 0.91666666666667 10.811 > 2 *7 O 0.35764431619726 0.02431098286393 0.08333333333333 15.999 > 3 8 O 0.97568901713607 0.33333333333333 0.08333333333333 15.999 > 4 9 O 0.00000000000000 0.69097764953059 0.25000000000000 15.999 > 5 10 O 0.30902235046941 0.30902235046941 0.25000000000000 15.999 > 6 11 O 0.69097764953059 0.00000000000000 0.25000000000000 15.999 > 7 12 O 0.66666666666667 0.64235568380274 0.08333333333333 15.999 > 8 13 O 0.02431098286393 0.35764431619726 0.41666666666667 15.999 > 3 14 O 0.64235568380274 0.66666666666667 0.41666666666667 15.999 > 4 15 O 0.66666666666667 0.02431098286393 0.58333333333333 15.999 > 5 16 O 0.97568901713607 0.64235568380274 0.58333333333333 15.999 > 6 17 O 0.35764431619726 0.33333333333333 0.58333333333333 15.999 > 7 18 O 0.33333333333333 0.97568901713607 0.41666666666667 15.999 > 8 19 O 0.69097764953059 0.69097764953059 0.75000000000000 15.999 > 3 20 O 0.30902235046941 0.00000000000000 0.75000000000000 15.999 > 4 21 O 0.33333333333333 0.35764431619726 0.91666666666667 15.999 > 5 22 O 0.64235568380274 0.97568901713607 0.91666666666667 15.999 > 6 23 O 0.02431098286393 0.66666666666667 0.91666666666667 15.999 > 7 24 O 0.00000000000000 0.30902235046941 0.75000000000000 15.999 > 8 *25 Al 0.33333333333333 0.66666666666667 0.16666666666667 26.982 > 9 26 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 10 27 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 9 28 Al 0.66666666666667 0.33333333333333 0.33333333333333 26.982 > 10 29 Al 0.66666666666667 0.33333333333333 0.83333333333333 26.982 > 9 30 Al 0.33333333333333 0.66666666666667 0.66666666666667 26.982 > 10 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.955438103963994 0.000000000000000 0.000000000000000 b -4.477719051981996 7.755636900051966 0.000000000000000 c 0.000000000000000 0.000000000000000 13.721975100000002 Atomic positions (fractional): *1 B 0.33333333333333 0.16666666666667 0.08333333333333 10.811 > 1 2 B 0.83333333333333 0.16666666666667 0.08333333333333 10.811 > 1 3 B 0.33333333333333 0.66666666666667 0.08333333333333 10.811 > 1 4 B 0.83333333333333 0.66666666666667 0.08333333333333 10.811 > 1 5 B 0.00000000000000 0.00000000000000 0.25000000000000 10.811 > 2 6 B 0.50000000000000 0.00000000000000 0.25000000000000 10.811 > 2 7 B 0.00000000000000 0.50000000000000 0.25000000000000 10.811 > 2 8 B 0.50000000000000 0.50000000000000 0.25000000000000 10.811 > 2 9 B 0.16666666666667 0.33333333333333 0.41666666666667 10.811 > 1 10 B 0.66666666666667 0.33333333333333 0.41666666666667 10.811 > 1 11 B 0.16666666666667 0.83333333333333 0.41666666666667 10.811 > 1 12 B 0.66666666666667 0.83333333333333 0.41666666666667 10.811 > 1 13 B 0.33333333333333 0.16666666666667 0.58333333333333 10.811 > 2 14 B 0.83333333333333 0.16666666666667 0.58333333333333 10.811 > 2 15 B 0.33333333333333 0.66666666666667 0.58333333333333 10.811 > 2 16 B 0.83333333333333 0.66666666666667 0.58333333333333 10.811 > 2 17 B 0.00000000000000 0.00000000000000 0.75000000000000 10.811 > 1 18 B 0.50000000000000 0.00000000000000 0.75000000000000 10.811 > 1 19 B 0.00000000000000 0.50000000000000 0.75000000000000 10.811 > 1 20 B 0.50000000000000 0.50000000000000 0.75000000000000 10.811 > 1 21 B 0.16666666666667 0.33333333333333 0.91666666666667 10.811 > 2 22 B 0.66666666666667 0.33333333333333 0.91666666666667 10.811 > 2 23 B 0.16666666666667 0.83333333333333 0.91666666666667 10.811 > 2 24 B 0.66666666666667 0.83333333333333 0.91666666666667 10.811 > 2 *25 O 0.17882215809863 0.01215549143196 0.08333333333333 15.999 > 3 26 O 0.67882215809863 0.01215549143196 0.08333333333333 15.999 > 3 27 O 0.17882215809863 0.51215549143196 0.08333333333333 15.999 > 3 28 O 0.67882215809863 0.51215549143196 0.08333333333333 15.999 > 3 29 O 0.48784450856804 0.16666666666667 0.08333333333333 15.999 > 4 30 O 0.98784450856804 0.16666666666667 0.08333333333333 15.999 > 4 31 O 0.48784450856804 0.66666666666667 0.08333333333333 15.999 > 4 32 O 0.98784450856804 0.66666666666667 0.08333333333333 15.999 > 4 33 O 0.00000000000000 0.34548882476530 0.25000000000000 15.999 > 5 34 O 0.50000000000000 0.34548882476530 0.25000000000000 15.999 > 5 35 O 0.00000000000000 0.84548882476530 0.25000000000000 15.999 > 5 36 O 0.50000000000000 0.84548882476530 0.25000000000000 15.999 > 5 37 O 0.15451117523470 0.15451117523470 0.25000000000000 15.999 > 6 38 O 0.65451117523470 0.15451117523470 0.25000000000000 15.999 > 6 39 O 0.15451117523470 0.65451117523470 0.25000000000000 15.999 > 6 40 O 0.65451117523470 0.65451117523470 0.25000000000000 15.999 > 6 41 O 0.34548882476530 0.00000000000000 0.25000000000000 15.999 > 7 42 O 0.84548882476530 0.00000000000000 0.25000000000000 15.999 > 7 43 O 0.34548882476530 0.50000000000000 0.25000000000000 15.999 > 7 44 O 0.84548882476530 0.50000000000000 0.25000000000000 15.999 > 7 45 O 0.33333333333333 0.32117784190137 0.08333333333333 15.999 > 8 46 O 0.83333333333333 0.32117784190137 0.08333333333333 15.999 > 8 47 O 0.33333333333333 0.82117784190137 0.08333333333333 15.999 > 8 48 O 0.83333333333333 0.82117784190137 0.08333333333333 15.999 > 8 49 O 0.01215549143196 0.17882215809863 0.41666666666667 15.999 > 3 50 O 0.51215549143196 0.17882215809863 0.41666666666667 15.999 > 3 51 O 0.01215549143196 0.67882215809863 0.41666666666667 15.999 > 3 52 O 0.51215549143196 0.67882215809863 0.41666666666667 15.999 > 3 53 O 0.32117784190137 0.33333333333333 0.41666666666667 15.999 > 4 54 O 0.82117784190137 0.33333333333333 0.41666666666667 15.999 > 4 55 O 0.32117784190137 0.83333333333333 0.41666666666667 15.999 > 4 56 O 0.82117784190137 0.83333333333333 0.41666666666667 15.999 > 4 57 O 0.33333333333333 0.01215549143196 0.58333333333333 15.999 > 5 58 O 0.83333333333333 0.01215549143196 0.58333333333333 15.999 > 5 59 O 0.33333333333333 0.51215549143196 0.58333333333333 15.999 > 5 60 O 0.83333333333333 0.51215549143196 0.58333333333333 15.999 > 5 61 O 0.48784450856804 0.32117784190137 0.58333333333333 15.999 > 6 62 O 0.98784450856804 0.32117784190137 0.58333333333333 15.999 > 6 63 O 0.48784450856804 0.82117784190137 0.58333333333333 15.999 > 6 64 O 0.98784450856804 0.82117784190137 0.58333333333333 15.999 > 6 65 O 0.17882215809863 0.16666666666667 0.58333333333333 15.999 > 7 66 O 0.67882215809863 0.16666666666667 0.58333333333333 15.999 > 7 67 O 0.17882215809863 0.66666666666667 0.58333333333333 15.999 > 7 68 O 0.67882215809863 0.66666666666667 0.58333333333333 15.999 > 7 69 O 0.16666666666667 0.48784450856804 0.41666666666667 15.999 > 8 70 O 0.66666666666667 0.48784450856804 0.41666666666667 15.999 > 8 71 O 0.16666666666667 0.98784450856804 0.41666666666667 15.999 > 8 72 O 0.66666666666667 0.98784450856804 0.41666666666667 15.999 > 8 73 O 0.34548882476530 0.34548882476530 0.75000000000000 15.999 > 3 74 O 0.84548882476530 0.34548882476530 0.75000000000000 15.999 > 3 75 O 0.34548882476530 0.84548882476530 0.75000000000000 15.999 > 3 76 O 0.84548882476530 0.84548882476530 0.75000000000000 15.999 > 3 77 O 0.15451117523470 0.00000000000000 0.75000000000000 15.999 > 4 78 O 0.65451117523470 0.00000000000000 0.75000000000000 15.999 > 4 79 O 0.15451117523470 0.50000000000000 0.75000000000000 15.999 > 4 80 O 0.65451117523470 0.50000000000000 0.75000000000000 15.999 > 4 81 O 0.16666666666667 0.17882215809863 0.91666666666667 15.999 > 5 82 O 0.66666666666667 0.17882215809863 0.91666666666667 15.999 > 5 83 O 0.16666666666667 0.67882215809863 0.91666666666667 15.999 > 5 84 O 0.66666666666667 0.67882215809863 0.91666666666667 15.999 > 5 85 O 0.32117784190137 0.48784450856804 0.91666666666667 15.999 > 6 86 O 0.82117784190137 0.48784450856804 0.91666666666667 15.999 > 6 87 O 0.32117784190137 0.98784450856804 0.91666666666667 15.999 > 6 88 O 0.82117784190137 0.98784450856804 0.91666666666667 15.999 > 6 89 O 0.01215549143196 0.33333333333333 0.91666666666667 15.999 > 7 90 O 0.51215549143196 0.33333333333333 0.91666666666667 15.999 > 7 91 O 0.01215549143196 0.83333333333333 0.91666666666667 15.999 > 7 92 O 0.51215549143196 0.83333333333333 0.91666666666667 15.999 > 7 93 O 0.00000000000000 0.15451117523470 0.75000000000000 15.999 > 8 94 O 0.50000000000000 0.15451117523470 0.75000000000000 15.999 > 8 95 O 0.00000000000000 0.65451117523470 0.75000000000000 15.999 > 8 96 O 0.50000000000000 0.65451117523470 0.75000000000000 15.999 > 8 *97 Al 0.16666666666667 0.33333333333333 0.16666666666667 26.982 > 9 98 Al 0.66666666666667 0.33333333333333 0.16666666666667 26.982 > 9 99 Al 0.16666666666667 0.83333333333333 0.16666666666667 26.982 > 9 100 Al 0.66666666666667 0.83333333333333 0.16666666666667 26.982 > 9 101 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 10 102 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 > 10 103 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 > 10 104 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 > 10 105 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 9 106 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 > 9 107 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 > 9 108 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 > 9 109 Al 0.33333333333333 0.16666666666667 0.33333333333333 26.982 > 10 110 Al 0.83333333333333 0.16666666666667 0.33333333333333 26.982 > 10 111 Al 0.33333333333333 0.66666666666667 0.33333333333333 26.982 > 10 112 Al 0.83333333333333 0.66666666666667 0.33333333333333 26.982 > 10 113 Al 0.33333333333333 0.16666666666667 0.83333333333333 26.982 > 9 114 Al 0.83333333333333 0.16666666666667 0.83333333333333 26.982 > 9 115 Al 0.33333333333333 0.66666666666667 0.83333333333333 26.982 > 9 116 Al 0.83333333333333 0.66666666666667 0.83333333333333 26.982 > 9 117 Al 0.16666666666667 0.33333333333333 0.66666666666667 26.982 > 10 118 Al 0.66666666666667 0.33333333333333 0.66666666666667 26.982 > 10 119 Al 0.16666666666667 0.83333333333333 0.66666666666667 26.982 > 10 120 Al 0.66666666666667 0.83333333333333 0.66666666666667 26.982 > 10 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3467995 0.0000000 0.0000000 0.0000000 3.3467995 0.0000000 0.0000000 0.0000000 3.0536629 -------------------------- Born effective charges -------------------------- 1 B 2.7350217 0.0000000 -0.0000000 0.0000000 2.7350217 -0.0000000 0.0000000 0.0000000 1.3243730 2 B 2.7350217 0.0000000 -0.0000000 0.0000000 2.7350217 -0.0000000 0.0000000 0.0000000 1.3243730 3 O -1.7928810 -0.3236964 -0.2433686 -0.3236964 -2.1666535 0.1405089 -0.1924015 0.1110831 -1.4663436 4 O -2.3535397 -0.0000000 -0.0000000 0.0000000 -1.6059948 -0.2810178 0.0000000 -0.2221661 -1.4663436 5 O -1.7928810 0.3236964 0.2433686 0.3236964 -2.1666535 0.1405089 0.1924015 0.1110831 -1.4663436 6 O -1.7928810 -0.3236964 -0.2433686 -0.3236964 -2.1666535 0.1405089 -0.1924015 0.1110831 -1.4663436 7 O -2.3535397 -0.0000000 -0.0000000 0.0000000 -1.6059948 -0.2810178 0.0000000 -0.2221661 -1.4663436 8 O -1.7928810 0.3236964 0.2433686 0.3236964 -2.1666535 0.1405089 0.1924015 0.1110831 -1.4663436 9 Al 3.2042801 0.2421457 -0.0000000 -0.2421457 3.2042801 -0.0000000 0.0000000 0.0000000 3.0746579 10 Al 3.2042801 -0.2421457 -0.0000000 0.2421457 3.2042801 -0.0000000 0.0000000 0.0000000 3.0746579 ---------------------------------------------------------------------------- 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: 7104/7104 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 510 Number of blocks in projector: 304 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 239 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 194 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 77 Use standard eigh solver. Tree of FC basis block matrices: - (510, 500), data: False |-- (77, 74), data: True |-- (194, 192), data: True |-- (239, 234), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.012 Solver_block: 100 / 160 - Time: 0.439 Solver_block: 160 / 160 - Time: 0.298 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.754 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 360/360 Permutation basis: 7104/7104 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 510 Number of blocks in projector: 304 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 239 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 194 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 77 Use standard eigh solver. Tree of FC basis block matrices: - (510, 500), data: False |-- (77, 74), data: True |-- (194, 192), data: True |-- (239, 234), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 22:41:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:41:43]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3c (167) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.238859525991001 1.292606150008660 4.573991699999996 b -2.238859525990996 1.292606150008660 4.573991699999996 c 0.000000000000002 -2.585212300017323 4.573991699999996 Atomic positions (fractional): 1 B 0.75000000000000 0.75000000000000 0.75000000000000 10.811 2 B 0.25000000000000 0.25000000000000 0.25000000000000 10.811 3 O 0.44097764953059 0.75000000000000 0.05902235046941 15.999 4 O 0.05902235046941 0.44097764953059 0.75000000000000 15.999 5 O 0.25000000000000 0.94097764953059 0.55902235046941 15.999 6 O 0.55902235046941 0.25000000000000 0.94097764953059 15.999 7 O 0.94097764953059 0.55902235046941 0.25000000000000 15.999 8 O 0.75000000000000 0.05902235046941 0.44097764953059 15.999 9 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 10 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.955438103963994 0.000000000000000 0.000000000000000 b -4.477719051981996 7.755636900051966 0.000000000000000 c 0.000000000000000 0.000000000000000 13.721975100000002 Atomic positions (fractional): 1 B 0.33333333333333 0.16666666666667 0.08333333333333 10.811 > 1 2 B 0.83333333333333 0.16666666666667 0.08333333333333 10.811 > 1 3 B 0.33333333333333 0.66666666666667 0.08333333333333 10.811 > 1 4 B 0.83333333333333 0.66666666666667 0.08333333333333 10.811 > 1 5 B 0.00000000000000 0.00000000000000 0.25000000000000 10.811 > 5 6 B 0.50000000000000 0.00000000000000 0.25000000000000 10.811 > 5 7 B 0.00000000000000 0.50000000000000 0.25000000000000 10.811 > 5 8 B 0.50000000000000 0.50000000000000 0.25000000000000 10.811 > 5 9 B 0.16666666666667 0.33333333333333 0.41666666666667 10.811 > 1 10 B 0.66666666666667 0.33333333333333 0.41666666666667 10.811 > 1 11 B 0.16666666666667 0.83333333333333 0.41666666666667 10.811 > 1 12 B 0.66666666666667 0.83333333333333 0.41666666666667 10.811 > 1 13 B 0.33333333333333 0.16666666666667 0.58333333333333 10.811 > 5 14 B 0.83333333333333 0.16666666666667 0.58333333333333 10.811 > 5 15 B 0.33333333333333 0.66666666666667 0.58333333333333 10.811 > 5 16 B 0.83333333333333 0.66666666666667 0.58333333333333 10.811 > 5 17 B 0.00000000000000 0.00000000000000 0.75000000000000 10.811 > 1 18 B 0.50000000000000 0.00000000000000 0.75000000000000 10.811 > 1 19 B 0.00000000000000 0.50000000000000 0.75000000000000 10.811 > 1 20 B 0.50000000000000 0.50000000000000 0.75000000000000 10.811 > 1 21 B 0.16666666666667 0.33333333333333 0.91666666666667 10.811 > 5 22 B 0.66666666666667 0.33333333333333 0.91666666666667 10.811 > 5 23 B 0.16666666666667 0.83333333333333 0.91666666666667 10.811 > 5 24 B 0.66666666666667 0.83333333333333 0.91666666666667 10.811 > 5 25 O 0.17882215809863 0.01215549143196 0.08333333333333 15.999 > 25 26 O 0.67882215809863 0.01215549143196 0.08333333333333 15.999 > 25 27 O 0.17882215809863 0.51215549143196 0.08333333333333 15.999 > 25 28 O 0.67882215809863 0.51215549143196 0.08333333333333 15.999 > 25 29 O 0.48784450856804 0.16666666666667 0.08333333333333 15.999 > 29 30 O 0.98784450856804 0.16666666666667 0.08333333333333 15.999 > 29 31 O 0.48784450856804 0.66666666666667 0.08333333333333 15.999 > 29 32 O 0.98784450856804 0.66666666666667 0.08333333333333 15.999 > 29 33 O 0.00000000000000 0.34548882476530 0.25000000000000 15.999 > 33 34 O 0.50000000000000 0.34548882476530 0.25000000000000 15.999 > 33 35 O 0.00000000000000 0.84548882476530 0.25000000000000 15.999 > 33 36 O 0.50000000000000 0.84548882476530 0.25000000000000 15.999 > 33 37 O 0.15451117523470 0.15451117523470 0.25000000000000 15.999 > 37 38 O 0.65451117523470 0.15451117523470 0.25000000000000 15.999 > 37 39 O 0.15451117523470 0.65451117523470 0.25000000000000 15.999 > 37 40 O 0.65451117523470 0.65451117523470 0.25000000000000 15.999 > 37 41 O 0.34548882476530 0.00000000000000 0.25000000000000 15.999 > 41 42 O 0.84548882476530 0.00000000000000 0.25000000000000 15.999 > 41 43 O 0.34548882476530 0.50000000000000 0.25000000000000 15.999 > 41 44 O 0.84548882476530 0.50000000000000 0.25000000000000 15.999 > 41 45 O 0.33333333333333 0.32117784190137 0.08333333333333 15.999 > 45 46 O 0.83333333333333 0.32117784190137 0.08333333333333 15.999 > 45 47 O 0.33333333333333 0.82117784190137 0.08333333333333 15.999 > 45 48 O 0.83333333333333 0.82117784190137 0.08333333333333 15.999 > 45 49 O 0.01215549143196 0.17882215809863 0.41666666666667 15.999 > 25 50 O 0.51215549143196 0.17882215809863 0.41666666666667 15.999 > 25 51 O 0.01215549143196 0.67882215809863 0.41666666666667 15.999 > 25 52 O 0.51215549143196 0.67882215809863 0.41666666666667 15.999 > 25 53 O 0.32117784190137 0.33333333333333 0.41666666666667 15.999 > 29 54 O 0.82117784190137 0.33333333333333 0.41666666666667 15.999 > 29 55 O 0.32117784190137 0.83333333333333 0.41666666666667 15.999 > 29 56 O 0.82117784190137 0.83333333333333 0.41666666666667 15.999 > 29 57 O 0.33333333333333 0.01215549143196 0.58333333333333 15.999 > 33 58 O 0.83333333333333 0.01215549143196 0.58333333333333 15.999 > 33 59 O 0.33333333333333 0.51215549143196 0.58333333333333 15.999 > 33 60 O 0.83333333333333 0.51215549143196 0.58333333333333 15.999 > 33 61 O 0.48784450856804 0.32117784190137 0.58333333333333 15.999 > 37 62 O 0.98784450856804 0.32117784190137 0.58333333333333 15.999 > 37 63 O 0.48784450856804 0.82117784190137 0.58333333333333 15.999 > 37 64 O 0.98784450856804 0.82117784190137 0.58333333333333 15.999 > 37 65 O 0.17882215809863 0.16666666666667 0.58333333333333 15.999 > 41 66 O 0.67882215809863 0.16666666666667 0.58333333333333 15.999 > 41 67 O 0.17882215809863 0.66666666666667 0.58333333333333 15.999 > 41 68 O 0.67882215809863 0.66666666666667 0.58333333333333 15.999 > 41 69 O 0.16666666666667 0.48784450856804 0.41666666666667 15.999 > 45 70 O 0.66666666666667 0.48784450856804 0.41666666666667 15.999 > 45 71 O 0.16666666666667 0.98784450856804 0.41666666666667 15.999 > 45 72 O 0.66666666666667 0.98784450856804 0.41666666666667 15.999 > 45 73 O 0.34548882476530 0.34548882476530 0.75000000000000 15.999 > 25 74 O 0.84548882476530 0.34548882476530 0.75000000000000 15.999 > 25 75 O 0.34548882476530 0.84548882476530 0.75000000000000 15.999 > 25 76 O 0.84548882476530 0.84548882476530 0.75000000000000 15.999 > 25 77 O 0.15451117523470 0.00000000000000 0.75000000000000 15.999 > 29 78 O 0.65451117523470 0.00000000000000 0.75000000000000 15.999 > 29 79 O 0.15451117523470 0.50000000000000 0.75000000000000 15.999 > 29 80 O 0.65451117523470 0.50000000000000 0.75000000000000 15.999 > 29 81 O 0.16666666666667 0.17882215809863 0.91666666666667 15.999 > 33 82 O 0.66666666666667 0.17882215809863 0.91666666666667 15.999 > 33 83 O 0.16666666666667 0.67882215809863 0.91666666666667 15.999 > 33 84 O 0.66666666666667 0.67882215809863 0.91666666666667 15.999 > 33 85 O 0.32117784190137 0.48784450856804 0.91666666666667 15.999 > 37 86 O 0.82117784190137 0.48784450856804 0.91666666666667 15.999 > 37 87 O 0.32117784190137 0.98784450856804 0.91666666666667 15.999 > 37 88 O 0.82117784190137 0.98784450856804 0.91666666666667 15.999 > 37 89 O 0.01215549143196 0.33333333333333 0.91666666666667 15.999 > 41 90 O 0.51215549143196 0.33333333333333 0.91666666666667 15.999 > 41 91 O 0.01215549143196 0.83333333333333 0.91666666666667 15.999 > 41 92 O 0.51215549143196 0.83333333333333 0.91666666666667 15.999 > 41 93 O 0.00000000000000 0.15451117523470 0.75000000000000 15.999 > 45 94 O 0.50000000000000 0.15451117523470 0.75000000000000 15.999 > 45 95 O 0.00000000000000 0.65451117523470 0.75000000000000 15.999 > 45 96 O 0.50000000000000 0.65451117523470 0.75000000000000 15.999 > 45 97 Al 0.16666666666667 0.33333333333333 0.16666666666667 26.982 > 97 98 Al 0.66666666666667 0.33333333333333 0.16666666666667 26.982 > 97 99 Al 0.16666666666667 0.83333333333333 0.16666666666667 26.982 > 97 100 Al 0.66666666666667 0.83333333333333 0.16666666666667 26.982 > 97 101 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 101 102 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 > 101 103 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 > 101 104 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 > 101 105 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 97 106 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 > 97 107 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 > 97 108 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 > 97 109 Al 0.33333333333333 0.16666666666667 0.33333333333333 26.982 > 101 110 Al 0.83333333333333 0.16666666666667 0.33333333333333 26.982 > 101 111 Al 0.33333333333333 0.66666666666667 0.33333333333333 26.982 > 101 112 Al 0.83333333333333 0.66666666666667 0.33333333333333 26.982 > 101 113 Al 0.33333333333333 0.16666666666667 0.83333333333333 26.982 > 97 114 Al 0.83333333333333 0.16666666666667 0.83333333333333 26.982 > 97 115 Al 0.33333333333333 0.66666666666667 0.83333333333333 26.982 > 97 116 Al 0.83333333333333 0.66666666666667 0.83333333333333 26.982 > 97 117 Al 0.16666666666667 0.33333333333333 0.66666666666667 26.982 > 101 118 Al 0.66666666666667 0.33333333333333 0.66666666666667 26.982 > 101 119 Al 0.16666666666667 0.83333333333333 0.66666666666667 26.982 > 101 120 Al 0.66666666666667 0.83333333333333 0.66666666666667 26.982 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3467995 0.0000000 0.0000000 0.0000000 3.3467995 0.0000000 0.0000000 0.0000000 3.0536629 -------------------------- Born effective charges -------------------------- 1 B 2.7350217 0.0000000 -0.0000000 0.0000000 2.7350217 -0.0000000 0.0000000 0.0000000 1.3243730 2 B 2.7350217 0.0000000 -0.0000000 0.0000000 2.7350217 -0.0000000 0.0000000 0.0000000 1.3243730 3 O -1.7928810 -0.3236964 -0.2433686 -0.3236964 -2.1666535 0.1405089 -0.1924015 0.1110831 -1.4663436 4 O -2.3535397 -0.0000000 -0.0000000 0.0000000 -1.6059948 -0.2810178 0.0000000 -0.2221661 -1.4663436 5 O -1.7928810 0.3236964 0.2433686 0.3236964 -2.1666535 0.1405089 0.1924015 0.1110831 -1.4663436 6 O -1.7928810 -0.3236964 -0.2433686 -0.3236964 -2.1666535 0.1405089 -0.1924015 0.1110831 -1.4663436 7 O -2.3535397 -0.0000000 -0.0000000 0.0000000 -1.6059948 -0.2810178 0.0000000 -0.2221661 -1.4663436 8 O -1.7928810 0.3236964 0.2433686 0.3236964 -2.1666535 0.1405089 0.1924015 0.1110831 -1.4663436 9 Al 3.2042801 0.2421457 -0.0000000 -0.2421457 3.2042801 -0.0000000 0.0000000 0.0000000 3.0746579 10 Al 3.2042801 -0.2421457 -0.0000000 0.2421457 3.2042801 -0.0000000 0.0000000 0.0000000 3.0746579 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 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: 0.00000009 (xyy) 0.00000009 (xyy) 0.00000009 (xyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000004 (yx) -0.00000004 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:41:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:41:52]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3c (167) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.238859525991001 1.292606150008660 4.573991699999996 b -2.238859525990996 1.292606150008660 4.573991699999996 c 0.000000000000002 -2.585212300017323 4.573991699999996 Atomic positions (fractional): 1 B 0.75000000000000 0.75000000000000 0.75000000000000 10.811 2 B 0.25000000000000 0.25000000000000 0.25000000000000 10.811 3 O 0.44097764953059 0.75000000000000 0.05902235046941 15.999 4 O 0.05902235046941 0.44097764953059 0.75000000000000 15.999 5 O 0.25000000000000 0.94097764953059 0.55902235046941 15.999 6 O 0.55902235046941 0.25000000000000 0.94097764953059 15.999 7 O 0.94097764953059 0.55902235046941 0.25000000000000 15.999 8 O 0.75000000000000 0.05902235046941 0.44097764953059 15.999 9 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 10 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.955438103963994 0.000000000000000 0.000000000000000 b -4.477719051981996 7.755636900051966 0.000000000000000 c 0.000000000000000 0.000000000000000 13.721975100000002 Atomic positions (fractional): 1 B 0.33333333333333 0.16666666666667 0.08333333333333 10.811 > 1 2 B 0.83333333333333 0.16666666666667 0.08333333333333 10.811 > 1 3 B 0.33333333333333 0.66666666666667 0.08333333333333 10.811 > 1 4 B 0.83333333333333 0.66666666666667 0.08333333333333 10.811 > 1 5 B 0.00000000000000 0.00000000000000 0.25000000000000 10.811 > 5 6 B 0.50000000000000 0.00000000000000 0.25000000000000 10.811 > 5 7 B 0.00000000000000 0.50000000000000 0.25000000000000 10.811 > 5 8 B 0.50000000000000 0.50000000000000 0.25000000000000 10.811 > 5 9 B 0.16666666666667 0.33333333333333 0.41666666666667 10.811 > 1 10 B 0.66666666666667 0.33333333333333 0.41666666666667 10.811 > 1 11 B 0.16666666666667 0.83333333333333 0.41666666666667 10.811 > 1 12 B 0.66666666666667 0.83333333333333 0.41666666666667 10.811 > 1 13 B 0.33333333333333 0.16666666666667 0.58333333333333 10.811 > 5 14 B 0.83333333333333 0.16666666666667 0.58333333333333 10.811 > 5 15 B 0.33333333333333 0.66666666666667 0.58333333333333 10.811 > 5 16 B 0.83333333333333 0.66666666666667 0.58333333333333 10.811 > 5 17 B 0.00000000000000 0.00000000000000 0.75000000000000 10.811 > 1 18 B 0.50000000000000 0.00000000000000 0.75000000000000 10.811 > 1 19 B 0.00000000000000 0.50000000000000 0.75000000000000 10.811 > 1 20 B 0.50000000000000 0.50000000000000 0.75000000000000 10.811 > 1 21 B 0.16666666666667 0.33333333333333 0.91666666666667 10.811 > 5 22 B 0.66666666666667 0.33333333333333 0.91666666666667 10.811 > 5 23 B 0.16666666666667 0.83333333333333 0.91666666666667 10.811 > 5 24 B 0.66666666666667 0.83333333333333 0.91666666666667 10.811 > 5 25 O 0.17882215809863 0.01215549143196 0.08333333333333 15.999 > 25 26 O 0.67882215809863 0.01215549143196 0.08333333333333 15.999 > 25 27 O 0.17882215809863 0.51215549143196 0.08333333333333 15.999 > 25 28 O 0.67882215809863 0.51215549143196 0.08333333333333 15.999 > 25 29 O 0.48784450856804 0.16666666666667 0.08333333333333 15.999 > 29 30 O 0.98784450856804 0.16666666666667 0.08333333333333 15.999 > 29 31 O 0.48784450856804 0.66666666666667 0.08333333333333 15.999 > 29 32 O 0.98784450856804 0.66666666666667 0.08333333333333 15.999 > 29 33 O 0.00000000000000 0.34548882476530 0.25000000000000 15.999 > 33 34 O 0.50000000000000 0.34548882476530 0.25000000000000 15.999 > 33 35 O 0.00000000000000 0.84548882476530 0.25000000000000 15.999 > 33 36 O 0.50000000000000 0.84548882476530 0.25000000000000 15.999 > 33 37 O 0.15451117523470 0.15451117523470 0.25000000000000 15.999 > 37 38 O 0.65451117523470 0.15451117523470 0.25000000000000 15.999 > 37 39 O 0.15451117523470 0.65451117523470 0.25000000000000 15.999 > 37 40 O 0.65451117523470 0.65451117523470 0.25000000000000 15.999 > 37 41 O 0.34548882476530 0.00000000000000 0.25000000000000 15.999 > 41 42 O 0.84548882476530 0.00000000000000 0.25000000000000 15.999 > 41 43 O 0.34548882476530 0.50000000000000 0.25000000000000 15.999 > 41 44 O 0.84548882476530 0.50000000000000 0.25000000000000 15.999 > 41 45 O 0.33333333333333 0.32117784190137 0.08333333333333 15.999 > 45 46 O 0.83333333333333 0.32117784190137 0.08333333333333 15.999 > 45 47 O 0.33333333333333 0.82117784190137 0.08333333333333 15.999 > 45 48 O 0.83333333333333 0.82117784190137 0.08333333333333 15.999 > 45 49 O 0.01215549143196 0.17882215809863 0.41666666666667 15.999 > 25 50 O 0.51215549143196 0.17882215809863 0.41666666666667 15.999 > 25 51 O 0.01215549143196 0.67882215809863 0.41666666666667 15.999 > 25 52 O 0.51215549143196 0.67882215809863 0.41666666666667 15.999 > 25 53 O 0.32117784190137 0.33333333333333 0.41666666666667 15.999 > 29 54 O 0.82117784190137 0.33333333333333 0.41666666666667 15.999 > 29 55 O 0.32117784190137 0.83333333333333 0.41666666666667 15.999 > 29 56 O 0.82117784190137 0.83333333333333 0.41666666666667 15.999 > 29 57 O 0.33333333333333 0.01215549143196 0.58333333333333 15.999 > 33 58 O 0.83333333333333 0.01215549143196 0.58333333333333 15.999 > 33 59 O 0.33333333333333 0.51215549143196 0.58333333333333 15.999 > 33 60 O 0.83333333333333 0.51215549143196 0.58333333333333 15.999 > 33 61 O 0.48784450856804 0.32117784190137 0.58333333333333 15.999 > 37 62 O 0.98784450856804 0.32117784190137 0.58333333333333 15.999 > 37 63 O 0.48784450856804 0.82117784190137 0.58333333333333 15.999 > 37 64 O 0.98784450856804 0.82117784190137 0.58333333333333 15.999 > 37 65 O 0.17882215809863 0.16666666666667 0.58333333333333 15.999 > 41 66 O 0.67882215809863 0.16666666666667 0.58333333333333 15.999 > 41 67 O 0.17882215809863 0.66666666666667 0.58333333333333 15.999 > 41 68 O 0.67882215809863 0.66666666666667 0.58333333333333 15.999 > 41 69 O 0.16666666666667 0.48784450856804 0.41666666666667 15.999 > 45 70 O 0.66666666666667 0.48784450856804 0.41666666666667 15.999 > 45 71 O 0.16666666666667 0.98784450856804 0.41666666666667 15.999 > 45 72 O 0.66666666666667 0.98784450856804 0.41666666666667 15.999 > 45 73 O 0.34548882476530 0.34548882476530 0.75000000000000 15.999 > 25 74 O 0.84548882476530 0.34548882476530 0.75000000000000 15.999 > 25 75 O 0.34548882476530 0.84548882476530 0.75000000000000 15.999 > 25 76 O 0.84548882476530 0.84548882476530 0.75000000000000 15.999 > 25 77 O 0.15451117523470 0.00000000000000 0.75000000000000 15.999 > 29 78 O 0.65451117523470 0.00000000000000 0.75000000000000 15.999 > 29 79 O 0.15451117523470 0.50000000000000 0.75000000000000 15.999 > 29 80 O 0.65451117523470 0.50000000000000 0.75000000000000 15.999 > 29 81 O 0.16666666666667 0.17882215809863 0.91666666666667 15.999 > 33 82 O 0.66666666666667 0.17882215809863 0.91666666666667 15.999 > 33 83 O 0.16666666666667 0.67882215809863 0.91666666666667 15.999 > 33 84 O 0.66666666666667 0.67882215809863 0.91666666666667 15.999 > 33 85 O 0.32117784190137 0.48784450856804 0.91666666666667 15.999 > 37 86 O 0.82117784190137 0.48784450856804 0.91666666666667 15.999 > 37 87 O 0.32117784190137 0.98784450856804 0.91666666666667 15.999 > 37 88 O 0.82117784190137 0.98784450856804 0.91666666666667 15.999 > 37 89 O 0.01215549143196 0.33333333333333 0.91666666666667 15.999 > 41 90 O 0.51215549143196 0.33333333333333 0.91666666666667 15.999 > 41 91 O 0.01215549143196 0.83333333333333 0.91666666666667 15.999 > 41 92 O 0.51215549143196 0.83333333333333 0.91666666666667 15.999 > 41 93 O 0.00000000000000 0.15451117523470 0.75000000000000 15.999 > 45 94 O 0.50000000000000 0.15451117523470 0.75000000000000 15.999 > 45 95 O 0.00000000000000 0.65451117523470 0.75000000000000 15.999 > 45 96 O 0.50000000000000 0.65451117523470 0.75000000000000 15.999 > 45 97 Al 0.16666666666667 0.33333333333333 0.16666666666667 26.982 > 97 98 Al 0.66666666666667 0.33333333333333 0.16666666666667 26.982 > 97 99 Al 0.16666666666667 0.83333333333333 0.16666666666667 26.982 > 97 100 Al 0.66666666666667 0.83333333333333 0.16666666666667 26.982 > 97 101 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 101 102 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 > 101 103 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 > 101 104 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 > 101 105 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 97 106 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 > 97 107 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 > 97 108 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 > 97 109 Al 0.33333333333333 0.16666666666667 0.33333333333333 26.982 > 101 110 Al 0.83333333333333 0.16666666666667 0.33333333333333 26.982 > 101 111 Al 0.33333333333333 0.66666666666667 0.33333333333333 26.982 > 101 112 Al 0.83333333333333 0.66666666666667 0.33333333333333 26.982 > 101 113 Al 0.33333333333333 0.16666666666667 0.83333333333333 26.982 > 97 114 Al 0.83333333333333 0.16666666666667 0.83333333333333 26.982 > 97 115 Al 0.33333333333333 0.66666666666667 0.83333333333333 26.982 > 97 116 Al 0.83333333333333 0.66666666666667 0.83333333333333 26.982 > 97 117 Al 0.16666666666667 0.33333333333333 0.66666666666667 26.982 > 101 118 Al 0.66666666666667 0.33333333333333 0.66666666666667 26.982 > 101 119 Al 0.16666666666667 0.83333333333333 0.66666666666667 26.982 > 101 120 Al 0.66666666666667 0.83333333333333 0.66666666666667 26.982 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.3467995 0.0000000 0.0000000 0.0000000 3.3467995 0.0000000 0.0000000 0.0000000 3.0536629 -------------------------- Born effective charges -------------------------- 1 B 2.7350217 0.0000000 -0.0000000 0.0000000 2.7350217 -0.0000000 0.0000000 0.0000000 1.3243730 2 B 2.7350217 0.0000000 -0.0000000 0.0000000 2.7350217 -0.0000000 0.0000000 0.0000000 1.3243730 3 O -1.7928810 -0.3236964 -0.2433686 -0.3236964 -2.1666535 0.1405089 -0.1924015 0.1110831 -1.4663436 4 O -2.3535397 -0.0000000 -0.0000000 0.0000000 -1.6059948 -0.2810178 0.0000000 -0.2221661 -1.4663436 5 O -1.7928810 0.3236964 0.2433686 0.3236964 -2.1666535 0.1405089 0.1924015 0.1110831 -1.4663436 6 O -1.7928810 -0.3236964 -0.2433686 -0.3236964 -2.1666535 0.1405089 -0.1924015 0.1110831 -1.4663436 7 O -2.3535397 -0.0000000 -0.0000000 0.0000000 -1.6059948 -0.2810178 0.0000000 -0.2221661 -1.4663436 8 O -1.7928810 0.3236964 0.2433686 0.3236964 -2.1666535 0.1405089 0.1924015 0.1110831 -1.4663436 9 Al 3.2042801 0.2421457 -0.0000000 -0.2421457 3.2042801 -0.0000000 0.0000000 0.0000000 3.0746579 10 Al 3.2042801 -0.2421457 -0.0000000 0.2421457 3.2042801 -0.0000000 0.0000000 0.0000000 3.0746579 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000009 (xyy) 0.00000009 (xyy) 0.00000009 (xyy) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- 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 ... [ 13 13 13 ] 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: 0.97, Number of G-points: 291, Lambda: 0.18 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/231) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 231 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 9.407 ( 0.000 0.000 0.000) 0.000 9.407 ( 0.000 0.000 0.000) 0.000 9.628 ( 0.000 0.000 0.000) 0.000 9.628 ( 0.000 0.000 0.000) 0.000 10.665 ( 0.000 0.000 0.000) 0.000 11.965 ( 0.000 0.000 0.000) 0.000 11.965 ( 0.000 0.000 0.000) 0.000 12.873 ( 0.000 0.000 0.000) 0.000 13.097 ( 0.000 0.000 0.000) 0.000 13.097 ( 0.000 0.000 0.000) 0.000 14.093 ( 0.000 0.000 0.000) 0.000 14.093 ( 0.000 0.000 0.000) 0.000 14.717 ( 0.000 0.000 0.000) 0.000 14.786 ( 0.000 0.000 0.000) 0.000 15.668 ( 0.000 0.000 0.000) 0.000 19.746 ( 0.000 0.000 0.000) 0.000 19.962 ( 0.000 0.000 0.000) 0.000 19.962 ( 0.000 0.000 0.000) 0.000 20.995 ( 0.000 0.000 0.000) 0.000 20.995 ( 0.000 0.000 0.000) 0.000 21.606 ( 0.000 0.000 0.000) 0.000 27.320 ( 0.000 0.000 0.000) 0.000 28.080 ( 0.000 0.000 0.000) 0.000 37.265 ( 0.000 0.000 0.000) 0.000 37.265 ( 0.000 0.000 0.000) 0.000 37.466 ( 0.000 0.000 0.000) 0.000 37.466 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/231) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( 44.372 25.618 20.429) 55.160 1.408 ( 61.079 35.264 0.381) 70.529 2.431 ( 98.754 57.015 25.178) 116.777 9.388 ( 0.762 0.440 -14.428) 14.454 9.456 ( 2.929 1.691 4.584) 5.697 9.673 ( 4.773 2.755 -2.697) 6.136 9.927 ( 7.291 4.209 -12.250) 14.864 10.828 ( -11.654 -6.728 52.814) 54.502 11.920 ( -5.072 -2.929 7.583) 9.582 11.945 ( -0.238 -0.137 -5.400) 5.407 12.849 ( -2.293 -1.324 -1.348) 2.971 13.089 ( -0.563 -0.325 0.583) 0.874 13.118 ( 1.356 0.783 0.840) 1.777 14.125 ( 1.777 1.026 3.278) 3.867 14.638 ( -6.886 -3.976 1.549) 8.101 14.663 ( -8.980 -5.185 -4.223) 11.196 15.638 ( -2.508 -1.448 -0.435) 2.928 17.597 ( 4.074 2.352 -93.408) 93.526 19.738 ( -15.127 -8.734 26.897) 32.071 19.883 ( -6.477 -3.740 -0.558) 7.500 20.301 ( 1.066 0.616 34.520) 34.541 20.961 ( -2.340 -1.351 -2.452) 3.649 21.593 ( -2.101 -1.213 3.627) 4.364 22.088 ( -15.489 -8.943 52.776) 55.724 27.376 ( 4.625 2.670 0.140) 5.342 28.069 ( -0.828 -0.478 -0.388) 1.032 37.258 ( 0.309 0.179 3.262) 3.282 37.514 ( 4.897 2.828 -3.362) 6.579 37.646 ( 13.078 7.550 2.979) 15.392 42.312 ( 20.433 11.797 -104.024) 106.667 ======================= Grid point 2 (3/231) ======================= q-point: ( 0.15 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.262 ( 44.421 25.646 20.544) 55.254 2.796 ( 59.777 34.512 0.241) 69.025 4.778 ( 93.770 54.138 23.005) 110.694 9.269 ( -3.843 -2.219 -13.298) 14.019 9.573 ( 3.680 2.125 8.285) 9.311 9.760 ( 5.334 3.080 -16.629) 17.733 10.067 ( 8.001 4.619 -1.763) 9.405 10.864 ( -6.805 -3.929 33.848) 34.749 11.860 ( -3.167 -1.828 7.479) 8.325 11.920 ( 2.779 1.604 -9.942) 10.447 12.738 ( -6.963 -4.020 0.239) 8.044 13.066 ( -3.710 -2.142 4.037) 5.887 13.143 ( -0.382 -0.221 0.428) 0.615 14.193 ( 0.985 0.569 6.573) 6.671 14.396 ( -8.805 -5.084 -7.397) 12.573 14.424 ( -13.057 -7.538 5.221) 15.955 15.549 ( -4.814 -2.780 -1.420) 5.738 17.006 ( -21.437 -12.377 -40.313) 47.306 19.634 ( -2.346 -1.355 6.925) 7.436 19.679 ( -10.420 -6.016 -1.057) 12.078 20.411 ( -1.119 -0.646 2.971) 3.240 20.866 ( -3.940 -2.275 -4.442) 6.358 21.545 ( -4.509 -2.603 5.672) 7.699 22.021 ( -10.563 -6.098 31.255) 33.550 27.516 ( 7.139 4.122 0.047) 8.244 28.040 ( -1.365 -0.788 -0.641) 1.701 37.338 ( 4.185 2.416 6.060) 7.751 37.642 ( 8.458 4.883 -6.578) 11.775 38.050 ( 19.313 11.151 6.389) 23.198 42.145 ( 3.744 2.162 -53.970) 54.143 ======================= Grid point 3 (4/231) ======================= q-point: ( 0.23 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.394 ( 44.279 25.564 20.746) 55.177 4.142 ( 57.623 33.269 -0.084) 66.538 6.952 ( 84.941 49.041 19.215) 99.946 9.097 ( -5.113 -2.952 -8.906) 10.685 9.662 ( -4.333 -2.502 -23.152) 23.687 9.700 ( 2.354 1.359 10.781) 11.119 10.227 ( 2.999 1.731 5.324) 6.351 10.893 ( -3.434 -1.982 23.075) 23.413 11.842 ( 0.071 0.041 -8.143) 8.144 12.010 ( 10.404 6.007 -8.139) 14.511 12.560 ( -10.328 -5.963 10.855) 16.126 12.909 ( -12.731 -7.350 5.634) 15.743 13.043 ( -9.997 -5.772 -1.336) 11.621 14.125 ( -5.934 -3.426 1.103) 6.940 14.145 ( -12.785 -7.381 7.561) 16.586 14.386 ( 7.584 4.379 0.343) 8.764 15.397 ( -7.607 -4.392 -2.857) 9.237 16.239 ( -27.348 -15.790 -27.388) 41.801 19.420 ( -11.003 -6.352 -1.760) 12.826 19.692 ( 4.485 2.589 3.462) 6.230 20.292 ( -8.323 -4.805 -4.000) 10.410 20.751 ( -3.191 -1.843 -5.177) 6.355 21.445 ( -6.972 -4.026 5.665) 9.845 21.952 ( -8.469 -4.890 20.220) 22.461 27.682 ( 6.994 4.038 -0.339) 8.083 28.003 ( -1.444 -0.834 -0.629) 1.783 37.504 ( 6.322 3.650 8.638) 11.309 37.811 ( 9.854 5.689 -9.468) 14.802 38.578 ( 22.231 12.835 9.834) 27.489 41.886 ( -3.704 -2.138 -37.877) 38.117 ======================= Grid point 4 (5/231) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.519 ( 43.586 25.164 21.035) 54.548 5.427 ( 54.618 31.534 -0.723) 63.072 8.836 ( 69.854 40.331 13.644) 81.807 8.914 ( -10.067 -5.812 -6.801) 13.467 9.382 ( -4.819 -2.782 -20.105) 20.861 9.767 ( -5.055 -2.918 14.753) 15.865 10.180 ( -7.881 -4.550 5.747) 10.763 11.060 ( 10.322 5.960 11.134) 16.310 11.682 ( -7.944 -4.586 -19.677) 21.710 12.316 ( 17.473 10.088 1.788) 20.255 12.425 ( -11.217 -6.476 24.814) 27.991 12.597 ( -12.068 -6.968 -5.103) 14.840 12.613 ( -26.090 -15.063 -2.057) 30.196 13.989 ( -3.429 -1.979 4.388) 5.910 14.042 ( -1.979 -1.143 1.219) 2.590 14.593 ( 7.397 4.271 4.130) 9.487 15.158 ( -11.345 -6.550 -5.414) 14.174 15.507 ( -23.873 -13.783 -20.761) 34.510 19.181 ( -8.019 -4.630 -2.796) 9.673 19.844 ( 3.630 2.096 6.433) 7.678 20.040 ( -7.958 -4.595 -6.422) 11.211 20.691 ( 0.720 0.415 -4.040) 4.125 21.291 ( -8.786 -5.072 4.094) 10.940 21.841 ( -9.228 -5.328 11.298) 15.530 27.819 ( 5.056 2.919 -0.848) 5.900 27.971 ( -1.107 -0.639 -0.303) 1.314 37.707 ( 6.306 3.641 10.927) 13.131 37.971 ( 8.976 5.182 -11.810) 15.713 39.157 ( 22.271 12.858 13.110) 28.865 41.557 ( -8.254 -4.765 -30.039) 31.514 ======================= Grid point 5 (6/231) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.619 ( 41.845 24.159 21.375) 52.835 6.628 ( 50.629 29.230 -1.921) 58.492 8.419 ( -25.714 -14.846 -16.963) 34.196 9.417 ( 13.054 7.536 -4.386) 15.698 9.426 ( -28.584 -16.503 12.427) 35.268 10.124 ( 7.734 4.465 18.062) 20.149 10.279 ( 39.990 23.088 -9.057) 47.056 11.306 ( -16.273 -9.395 -8.532) 20.637 11.426 ( 13.074 7.549 4.204) 15.672 11.949 ( -23.764 -13.720 -1.263) 27.469 12.161 ( -15.297 -8.832 -2.134) 17.792 12.450 ( -4.104 -2.370 5.893) 7.562 12.822 ( 22.342 12.899 15.727) 30.214 14.013 ( 4.666 2.694 -3.526) 6.439 14.038 ( 0.204 0.118 3.292) 3.300 14.681 ( -3.361 -1.941 2.899) 4.844 14.816 ( -14.528 -8.388 -8.245) 18.692 14.941 ( -17.060 -9.849 -12.657) 23.414 19.054 ( -0.951 -0.549 -3.375) 3.549 19.653 ( -14.604 -8.432 1.791) 16.959 20.148 ( 11.325 6.538 0.459) 13.085 20.736 ( 3.374 1.948 -1.844) 4.311 21.111 ( -6.950 -4.013 1.835) 8.233 21.649 ( -11.459 -6.616 4.967) 14.133 27.901 ( 2.699 1.558 -1.200) 3.339 27.951 ( -0.611 -0.353 0.246) 0.747 37.900 ( 4.420 2.552 12.734) 13.719 38.078 ( 6.308 3.642 -13.395) 15.247 39.729 ( 20.354 11.751 16.137) 28.510 41.175 ( -11.563 -6.676 -25.297) 28.604 ======================= Grid point 6 (7/231) ======================= q-point: ( 0.46 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.663 ( 38.484 22.219 21.558) 49.391 7.568 ( -14.432 -8.333 -17.858) 24.426 7.777 ( 26.737 15.437 -6.538) 31.558 8.684 ( -39.313 -22.698 6.914) 45.919 9.843 ( 23.070 13.319 -0.231) 26.640 10.230 ( -6.562 -3.789 13.502) 15.483 10.772 ( 5.978 3.451 -27.254) 28.114 10.913 ( -15.724 -9.078 5.909) 19.094 11.421 ( 3.165 1.827 22.287) 22.584 11.780 ( -13.295 -7.676 -16.149) 22.282 12.056 ( 18.410 10.629 -5.828) 22.042 12.344 ( -9.629 -5.559 7.211) 13.252 13.498 ( 25.032 14.452 25.284) 38.403 14.031 ( -5.686 -3.283 -4.634) 8.036 14.138 ( 9.677 5.587 -14.259) 18.115 14.336 ( -17.077 -9.859 -3.177) 19.973 14.590 ( -6.520 -3.764 1.320) 7.643 14.600 ( -8.032 -4.637 -2.650) 9.645 19.113 ( 7.483 4.321 -2.977) 9.140 19.340 ( -12.940 -7.471 2.154) 15.096 20.426 ( 11.944 6.896 1.438) 13.867 20.681 ( -8.510 -4.913 -0.875) 9.865 21.127 ( 8.416 4.859 0.152) 9.719 21.385 ( -12.649 -7.303 1.266) 14.660 27.935 ( 1.018 0.587 -1.194) 1.675 27.943 ( -0.407 -0.235 0.822) 0.947 38.041 ( 1.207 0.697 13.841) 13.911 38.104 ( 2.633 1.520 -14.084) 14.408 40.263 ( 17.526 10.119 18.984) 27.748 40.744 ( -14.527 -8.387 -21.886) 27.575 ======================= Grid point 14 (8/231) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( -0.000 47.996 39.174) 61.953 1.688 ( -0.000 67.156 30.872) 73.912 2.408 ( 0.000 105.097 26.331) 108.346 9.250 ( 0.000 -2.664 -20.062) 20.238 9.574 ( -0.000 7.244 7.765) 10.619 9.700 ( 0.000 11.700 -0.509) 11.711 9.800 ( 0.000 6.866 -12.866) 14.584 11.098 ( -0.000 -37.560 60.128) 70.895 11.816 ( -0.000 -12.456 -3.569) 12.957 12.066 ( -0.000 4.260 8.155) 9.201 12.827 ( 0.000 -3.362 -3.915) 5.161 13.098 ( -0.000 -0.333 1.132) 1.180 13.120 ( -0.000 2.124 1.705) 2.724 14.080 ( 0.000 -0.481 -2.152) 2.205 14.604 ( -0.000 -8.949 -2.069) 9.185 14.631 ( 0.000 -9.378 -7.741) 12.161 15.633 ( -0.000 -3.141 -1.015) 3.301 17.172 ( 0.000 45.066 -86.992) 97.972 19.903 ( -0.000 -6.773 1.733) 6.991 20.053 ( 0.000 10.796 -3.912) 11.483 20.383 ( -0.000 -37.296 49.271) 61.795 20.987 ( -0.000 -1.199 0.639) 1.358 21.624 ( -0.000 -2.547 7.266) 7.699 22.386 ( -0.000 -58.314 82.761) 101.242 27.377 ( 0.000 5.348 0.372) 5.361 28.066 ( 0.000 -0.921 -0.758) 1.193 37.209 ( 0.000 -1.735 -2.568) 3.100 37.565 ( 0.000 8.270 2.701) 8.700 37.592 ( 0.000 12.106 -3.404) 12.575 41.614 ( 0.000 79.822 -145.440) 165.905 ======================= Grid point 15 (9/231) ======================= q-point: ( 0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.212 ( 15.981 41.992 39.331) 59.713 2.644 ( 20.875 66.492 14.838) 71.254 4.235 ( 63.590 84.778 27.810) 109.564 9.103 ( 1.571 -5.399 -19.784) 20.568 9.639 ( -1.887 -1.026 -1.977) 2.919 9.772 ( -0.184 15.222 0.651) 15.237 9.980 ( 7.657 13.625 -4.241) 16.195 11.019 ( -2.817 -21.808 34.864) 41.219 11.683 ( 4.364 -15.189 -3.507) 16.188 12.084 ( -7.559 6.135 3.836) 10.464 12.744 ( -1.392 -6.466 -4.657) 8.089 13.115 ( 1.483 -2.325 1.511) 3.145 13.145 ( -2.287 2.226 6.282) 7.046 14.103 ( 5.055 -6.032 0.052) 7.870 14.430 ( -6.549 -7.592 -7.727) 12.658 14.522 ( 1.223 -9.123 -0.453) 9.216 15.566 ( -2.093 -4.358 -2.481) 5.434 16.971 ( -16.165 5.337 -40.875) 44.278 19.729 ( -7.867 -7.550 6.371) 12.629 19.998 ( -17.390 7.148 4.062) 19.236 20.330 ( 5.560 -13.496 8.258) 16.770 20.915 ( -5.419 -1.061 -1.647) 5.762 21.616 ( -2.668 -4.127 9.261) 10.485 22.193 ( -5.502 -32.345 42.277) 53.515 27.476 ( 3.741 6.742 0.394) 7.721 28.045 ( -0.620 -1.009 -0.997) 1.548 37.250 ( 6.534 -1.140 0.477) 6.650 37.678 ( -0.553 14.715 -4.027) 15.266 37.859 ( 16.752 10.783 3.326) 20.198 41.720 ( 11.989 29.765 -80.862) 86.996 ======================= Grid point 16 (10/231) ======================= q-point: ( 0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.190 ( 28.335 35.724 33.185) 56.394 3.812 ( 34.369 57.038 8.768) 67.168 6.323 ( 70.310 70.147 24.143) 102.211 8.973 ( 2.605 -8.663 -14.215) 16.850 9.542 ( -3.715 -3.149 -10.342) 11.431 9.906 ( -2.015 12.973 1.495) 13.213 10.218 ( 5.324 11.891 2.121) 13.200 10.929 ( -1.416 -20.369 17.026) 26.586 11.690 ( 13.082 -11.176 3.353) 17.529 11.979 ( -10.161 6.458 -8.943) 14.998 12.605 ( -2.718 -9.368 -2.899) 10.176 13.083 ( -3.930 -3.656 -0.466) 5.388 13.113 ( -7.057 -5.426 13.325) 16.025 14.107 ( 3.275 -11.002 3.720) 12.067 14.245 ( -5.865 2.632 -5.661) 8.566 14.475 ( -0.816 1.211 1.786) 2.306 15.454 ( -3.831 -3.976 -4.592) 7.182 16.313 ( -29.528 -18.939 -19.407) 40.090 19.628 ( -5.456 0.558 -1.891) 5.802 19.754 ( -13.941 1.369 7.746) 16.007 20.295 ( -1.096 -5.566 -4.770) 7.412 20.790 ( -5.702 -0.920 -3.660) 6.838 21.548 ( -5.673 -5.744 8.966) 12.065 22.041 ( -2.879 -22.723 24.377) 33.449 27.623 ( 5.200 6.113 0.173) 8.027 28.018 ( -1.042 -0.359 -1.004) 1.491 37.402 ( 10.010 0.197 3.523) 10.613 37.806 ( 0.871 15.795 -5.874) 16.874 38.351 ( 23.172 11.789 6.598) 26.822 41.659 ( 2.409 9.461 -51.495) 52.412 ======================= Grid point 17 (11/231) ======================= q-point: ( 0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.241 ( 34.788 31.137 28.587) 54.744 5.017 ( 39.420 48.668 5.962) 62.913 8.239 ( 63.918 55.846 17.255) 86.614 8.878 ( 3.226 -9.293 -4.634) 10.874 9.289 ( -10.348 -7.484 -17.494) 21.659 9.991 ( -3.149 11.366 3.623) 12.338 10.344 ( -7.906 -0.841 13.674) 15.817 10.824 ( 11.535 -15.140 -4.751) 19.618 11.769 ( -9.806 2.700 -18.901) 21.464 11.935 ( 18.281 -7.609 13.356) 23.884 12.441 ( -2.317 -12.047 -2.253) 12.473 12.839 ( -16.863 -7.607 4.087) 18.945 12.981 ( -11.154 -1.644 7.762) 13.689 13.995 ( -5.027 -12.238 6.976) 14.957 14.225 ( -6.057 15.831 -4.092) 17.437 14.596 ( 6.429 7.748 4.568) 11.055 15.293 ( -9.733 -1.355 -4.916) 10.988 15.482 ( -23.011 -32.799 -13.224) 42.192 19.380 ( -16.561 0.587 -1.648) 16.653 19.798 ( 6.489 3.049 4.164) 8.291 20.129 ( -9.164 -3.426 -5.824) 11.385 20.684 ( -2.743 0.004 -3.931) 4.793 21.407 ( -8.264 -7.199 6.821) 12.910 21.897 ( -2.856 -18.887 14.016) 23.692 27.760 ( 4.664 3.806 -0.129) 6.022 27.995 ( -1.272 1.006 -0.790) 1.804 37.620 ( 11.020 1.426 5.149) 12.247 37.943 ( 1.292 14.375 -6.524) 15.839 38.934 ( 25.142 11.740 9.632) 29.372 41.441 ( -4.077 0.858 -37.692) 37.922 ======================= Grid point 18 (12/231) ======================= q-point: ( 0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.310 ( 37.743 27.548 25.517) 53.241 6.180 ( 40.573 40.874 3.765) 57.715 8.622 ( -21.742 -12.805 -8.739) 26.703 9.043 ( 10.847 -13.296 -7.060) 18.555 9.753 ( 36.357 33.486 2.396) 49.486 10.007 ( -12.737 9.456 8.721) 18.103 10.158 ( 0.269 -4.199 9.942) 10.796 10.988 ( 19.315 -9.260 -10.349) 23.789 11.544 ( -4.537 2.701 -13.143) 14.164 12.000 ( -7.816 -19.341 0.112) 20.861 12.329 ( -10.270 -10.009 6.094) 15.582 12.609 ( 2.186 6.821 7.181) 10.142 12.844 ( -8.094 8.011 8.799) 14.391 13.837 ( -2.066 -11.970 5.138) 13.189 14.250 ( -8.206 12.939 -1.740) 15.420 14.744 ( -5.876 -2.796 3.690) 7.481 14.806 ( -7.223 -21.291 -6.438) 23.386 15.085 ( -9.443 0.427 -7.749) 12.223 19.145 ( -9.817 1.959 -2.053) 10.219 19.852 ( -14.827 -3.414 -0.599) 15.227 20.019 ( 10.820 5.287 0.001) 12.043 20.676 ( 3.101 1.262 -2.517) 4.188 21.208 ( -9.033 -7.925 3.746) 12.587 21.712 ( -5.193 -16.683 6.998) 18.822 27.854 ( 3.345 1.492 -0.146) 3.665 27.984 ( -1.515 2.081 -0.568) 2.635 37.847 ( 9.524 2.531 3.972) 10.625 38.052 ( 0.292 10.886 -4.409) 11.749 39.536 ( 24.470 10.564 12.232) 29.326 41.128 ( -8.245 -3.849 -29.931) 31.283 ======================= Grid point 19 (13/231) ======================= q-point: ( 0.46 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.357 ( 37.982 24.129 23.398) 50.718 7.240 ( 37.872 31.122 0.652) 49.023 7.921 ( -31.272 -15.385 -15.066) 37.969 8.960 ( -10.983 -27.714 6.712) 30.557 9.694 ( -0.246 9.157 -1.058) 9.221 10.230 ( 5.218 -7.469 3.411) 9.729 10.579 ( 10.101 12.201 -16.578) 22.929 11.030 ( 0.240 -1.534 2.090) 2.603 11.646 ( -12.047 4.510 6.963) 14.628 11.697 ( 18.877 -4.655 -4.479) 19.952 11.953 ( -15.493 -1.186 -11.451) 19.302 12.585 ( -15.144 2.043 11.692) 19.241 13.302 ( 29.323 11.587 16.323) 35.504 13.765 ( 5.081 -12.422 3.616) 13.899 14.077 ( -4.270 -18.979 -0.662) 19.465 14.456 ( -18.019 -12.324 -10.100) 24.054 14.637 ( -3.028 12.666 -1.320) 13.090 14.964 ( -12.140 9.160 1.028) 15.242 19.090 ( -0.021 6.898 -2.250) 7.256 19.541 ( -15.910 -3.306 -0.450) 16.256 20.285 ( 12.635 5.362 1.450) 13.802 20.725 ( -0.631 -2.312 -0.652) 2.483 21.048 ( 0.326 -3.964 0.625) 4.027 21.468 ( -8.045 -14.537 2.783) 16.846 27.911 ( 2.056 1.134 0.113) 2.351 27.972 ( -1.704 1.384 -0.312) 2.217 38.006 ( 4.316 4.809 -7.355) 9.790 38.132 ( -0.103 4.831 7.871) 9.236 40.110 ( 22.351 8.826 14.111) 27.867 40.752 ( -11.409 -6.905 -24.545) 27.934 ======================= Grid point 20 (14/231) ======================= q-point: (-0.46 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.001 ( -37.568 -19.224 -17.250) 45.590 7.337 ( 34.715 19.858 21.665) 45.485 8.191 ( 30.162 16.879 -2.344) 34.643 8.256 ( -32.144 -20.944 5.200) 38.716 9.917 ( 3.462 -8.605 -11.277) 14.602 10.076 ( 1.957 -7.342 6.493) 9.994 10.677 ( 8.515 10.833 -22.553) 26.430 11.034 ( -4.326 7.891 17.174) 19.389 11.464 ( -15.636 -3.062 -17.626) 23.760 11.783 ( 6.301 6.969 18.345) 20.611 12.148 ( 18.882 8.065 -10.068) 22.868 12.337 ( -19.432 -6.069 12.494) 23.885 13.642 ( -15.507 -11.666 -18.660) 26.921 13.778 ( 8.137 -18.125 -5.614) 20.645 13.948 ( 8.916 -18.354 5.170) 21.050 14.158 ( 16.426 8.522 21.302) 28.217 14.761 ( -8.106 15.791 -3.978) 18.191 14.840 ( -9.864 15.906 5.625) 19.543 19.236 ( 4.194 8.985 -2.888) 10.327 19.273 ( -8.682 0.612 1.489) 8.830 20.536 ( -4.108 -4.773 -1.458) 6.464 20.564 ( 5.288 1.658 1.807) 5.829 21.176 ( 8.411 -2.843 -1.915) 9.083 21.209 ( -3.353 -7.897 1.882) 8.783 27.940 ( -0.766 0.505 -1.017) 1.370 27.961 ( -0.052 1.203 1.476) 1.905 38.002 ( -1.854 3.281 -12.626) 13.176 38.227 ( -1.324 2.156 14.041) 14.267 40.316 ( -13.479 -9.481 -21.657) 27.214 40.644 ( 18.849 7.408 16.920) 26.390 ======================= Grid point 21 (15/231) ======================= q-point: (-0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.014 ( -42.482 -20.643 -16.361) 49.986 7.262 ( -48.291 -22.106 3.194) 53.206 8.201 ( 28.786 14.052 16.689) 36.119 8.862 ( 27.821 1.045 -3.690) 28.084 9.664 ( -4.884 2.401 -4.492) 7.057 10.126 ( -4.021 1.603 -7.756) 8.882 10.778 ( -28.827 -14.298 -2.042) 32.242 10.937 ( 18.525 2.427 -2.644) 18.869 11.550 ( 17.752 19.917 -1.095) 26.703 11.803 ( -16.290 -16.879 6.629) 24.376 12.139 ( -2.240 7.827 9.874) 12.797 12.425 ( 8.363 12.338 -7.563) 16.715 12.996 ( -21.544 -9.085 -18.421) 29.766 13.736 ( 9.432 -16.885 -1.353) 19.388 14.081 ( 18.960 -12.266 1.810) 22.654 14.646 ( -8.227 8.792 2.182) 12.237 14.688 ( 12.854 8.954 13.728) 20.829 15.006 ( 0.802 15.259 5.980) 16.409 19.120 ( -4.284 1.675 1.354) 4.795 19.528 ( 10.810 13.845 -2.000) 17.679 20.277 ( -11.213 -6.515 0.329) 12.972 20.735 ( 3.583 -0.611 0.651) 3.693 21.045 ( 0.971 -2.370 0.323) 2.582 21.414 ( 14.672 -2.321 -3.508) 15.263 27.909 ( -1.135 -1.859 -0.115) 2.181 27.984 ( -0.951 2.759 1.086) 3.114 37.889 ( -4.880 -0.388 -11.107) 12.138 38.264 ( -5.994 2.157 13.283) 14.731 39.835 ( -17.016 -11.458 -18.036) 27.315 41.120 ( 16.905 6.234 18.263) 25.655 ======================= Grid point 22 (16/231) ======================= q-point: (-0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.964 ( -45.799 -20.137 -14.464) 52.079 6.168 ( -56.457 -19.010 2.299) 59.616 8.732 ( 17.490 -2.765 3.355) 18.022 9.200 ( 15.738 -2.149 12.006) 19.910 9.635 ( -56.061 -16.617 -12.351) 59.762 9.821 ( 4.941 20.636 -7.802) 22.608 10.154 ( -8.923 -3.930 5.008) 10.961 11.010 ( -6.412 -15.370 -9.677) 19.261 11.645 ( 15.781 6.905 -2.214) 17.367 11.995 ( 5.870 -7.561 3.108) 10.064 12.206 ( 15.907 -0.408 -4.476) 16.530 12.600 ( -4.797 6.274 2.151) 8.186 12.729 ( 0.506 17.198 -5.020) 17.923 13.772 ( 10.714 -8.506 -2.395) 13.888 14.207 ( -4.009 11.939 -5.713) 13.829 14.710 ( -2.997 5.159 -0.183) 5.969 14.954 ( 19.458 -4.573 10.098) 22.394 15.277 ( 13.589 2.699 14.899) 20.345 19.176 ( 4.229 7.465 1.667) 8.741 19.794 ( 5.341 7.060 -5.660) 10.508 20.094 ( -4.890 1.707 6.930) 8.652 20.719 ( -0.963 -1.770 2.590) 3.282 21.163 ( 8.800 2.899 -1.500) 9.386 21.581 ( 13.174 -6.169 -8.428) 16.812 27.859 ( -2.399 -2.853 0.472) 3.758 27.994 ( -1.442 2.809 0.643) 3.223 37.713 ( -6.516 -3.222 -8.928) 11.513 38.213 ( -10.823 2.737 11.660) 16.143 39.308 ( -19.579 -12.711 -14.656) 27.563 41.553 ( 14.619 5.277 19.524) 24.955 ======================= Grid point 23 (17/231) ======================= q-point: (-0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.891 ( -48.465 -17.727 -11.675) 52.909 4.986 ( -62.790 -14.710 2.289) 64.531 8.003 ( -88.371 -26.319 -10.823) 92.840 8.933 ( 13.798 -7.288 2.426) 15.792 9.575 ( 8.245 3.464 12.277) 15.189 9.956 ( -5.824 16.998 0.285) 17.970 10.191 ( 4.706 0.968 -1.022) 4.912 10.685 ( -1.914 -10.714 -19.589) 22.410 11.808 ( 1.352 -19.096 -4.577) 19.684 12.047 ( 8.565 6.487 13.139) 16.973 12.413 ( 5.423 1.035 -4.630) 7.206 12.711 ( 13.195 8.467 -5.229) 16.526 12.961 ( 6.906 8.164 1.157) 10.756 13.897 ( 11.754 -3.111 -4.188) 12.860 14.217 ( -5.925 17.462 -5.184) 19.155 14.559 ( -11.922 0.428 0.345) 11.935 15.328 ( 10.218 7.745 0.618) 12.836 15.793 ( 41.197 -9.364 21.595) 47.447 19.405 ( 8.495 13.123 1.259) 15.683 19.735 ( -5.038 -2.670 -3.090) 6.485 20.252 ( 4.549 8.730 8.446) 12.971 20.749 ( 2.489 1.262 3.622) 4.572 21.326 ( 7.990 2.519 -2.590) 8.769 21.652 ( 11.680 -8.649 -14.464) 20.504 27.766 ( -5.672 -2.662 0.466) 6.283 28.005 ( -0.153 1.797 0.406) 1.848 37.515 ( -6.707 -4.457 -6.397) 10.284 38.085 ( -14.374 3.883 9.466) 17.643 38.758 ( -20.835 -12.824 -11.192) 26.904 41.945 ( 12.396 4.254 20.202) 24.080 ======================= Grid point 24 (18/231) ======================= q-point: (-0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.829 ( -51.010 -12.424 -7.505) 53.035 3.757 ( -68.013 -8.453 2.261) 68.574 6.037 (-103.771 -21.636 -9.816) 106.456 9.117 ( 12.187 -5.297 3.770) 13.813 9.686 ( -2.568 6.824 0.543) 7.311 9.985 ( -10.187 2.529 11.761) 15.763 10.170 ( -5.676 -0.064 -0.301) 5.684 10.567 ( 8.184 -4.178 -19.629) 21.673 11.682 ( 4.534 -9.113 -3.408) 10.734 12.106 ( -8.019 2.326 6.394) 10.517 12.601 ( 12.334 3.454 -1.899) 12.949 12.968 ( 10.391 3.270 -3.196) 11.352 13.094 ( 3.809 -0.724 0.723) 3.944 14.029 ( 9.125 -3.021 -4.001) 10.412 14.315 ( 3.566 8.329 0.259) 9.064 14.444 ( -1.947 4.318 -0.986) 4.838 15.497 ( 4.810 2.948 0.509) 5.664 16.625 ( 45.823 -0.971 15.830) 48.490 19.624 ( -1.890 0.749 -2.771) 3.437 19.716 ( 7.298 13.275 4.262) 15.737 20.374 ( -1.344 -0.690 4.086) 4.356 20.846 ( 4.082 1.881 2.726) 5.256 21.452 ( 5.985 1.324 -2.200) 6.512 21.683 ( 11.662 -6.173 -15.635) 20.459 27.623 ( -8.105 -1.764 0.143) 8.296 28.028 ( 1.021 0.748 0.277) 1.296 37.340 ( -5.235 -3.514 -3.511) 7.217 37.915 ( -15.650 5.271 6.665) 17.808 38.232 ( -19.842 -10.937 -7.392) 23.832 42.284 ( 10.353 2.738 18.059) 20.995 ======================= Grid point 25 (19/231) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( -53.126 -0.000 0.000) 53.126 2.519 ( -71.633 -0.000 0.000) 71.633 3.997 (-113.394 -0.000 0.000) 113.394 9.272 ( 7.957 0.000 -0.000) 7.957 9.688 ( -2.795 -0.000 0.000) 2.795 9.776 ( -15.962 -0.000 0.000) 15.962 10.048 ( -7.111 -0.000 0.000) 7.111 10.601 ( 4.733 0.000 -0.000) 4.733 11.752 ( 8.818 0.000 -0.000) 8.818 12.022 ( -4.533 -0.000 0.000) 4.533 12.781 ( 7.035 0.000 -0.000) 7.035 13.082 ( 2.640 0.000 -0.000) 2.640 13.113 ( -0.115 -0.000 0.000) 0.115 14.098 ( 2.402 0.000 -0.000) 2.402 14.501 ( 12.214 0.000 -0.000) 12.214 14.527 ( 6.821 0.000 -0.000) 6.821 15.587 ( 4.149 0.000 -0.000) 4.149 17.428 ( 39.146 0.000 -0.000) 39.146 19.613 ( 1.847 0.000 -0.000) 1.847 19.949 ( 4.609 0.000 -0.000) 4.609 20.235 ( -9.517 -0.000 0.000) 9.517 20.932 ( 3.448 0.000 -0.000) 3.448 21.537 ( 3.981 0.000 -0.000) 3.981 21.792 ( 10.184 0.000 -0.000) 10.184 27.473 ( -7.813 -0.000 0.000) 7.813 28.054 ( 1.287 0.000 -0.000) 1.287 37.245 ( -2.153 -0.000 0.000) 2.153 37.722 ( -13.612 -0.000 0.000) 13.612 37.820 ( -16.514 -0.000 0.000) 16.514 42.529 ( 8.440 0.000 -0.000) 8.440 ======================= Grid point 28 (20/231) ======================= q-point: ( 0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.774 ( -0.000 46.372 38.654) 60.369 3.347 ( -0.000 65.245 30.343) 71.955 4.729 ( 0.000 99.830 23.479) 102.554 8.923 ( 0.000 -1.522 -28.375) 28.416 9.690 ( -0.000 -5.399 14.253) 15.241 9.764 ( 0.000 2.266 -9.842) 10.099 10.177 ( 0.000 32.317 -2.836) 32.441 10.974 ( -0.000 -23.961 26.593) 35.796 11.427 ( -0.000 -19.450 -6.686) 20.567 12.245 ( -0.000 4.720 5.545) 7.282 12.637 ( 0.000 -9.360 -6.668) 11.492 13.078 ( -0.000 -5.217 2.004) 5.588 13.251 ( -0.000 4.424 9.321) 10.317 13.948 ( 0.000 -8.367 -9.797) 12.884 14.315 ( -0.000 -17.828 0.112) 17.828 14.414 ( 0.000 -0.247 -4.325) 4.332 15.513 ( 0.000 -6.474 -3.447) 7.335 17.076 ( 0.000 9.268 -25.885) 27.495 19.747 ( -0.000 -11.126 3.009) 11.526 20.123 ( -0.000 -23.772 13.501) 27.339 20.267 ( 0.000 14.480 -4.607) 15.195 20.960 ( -0.000 -2.428 0.853) 2.574 21.650 ( -0.000 -5.961 11.462) 12.920 22.072 ( -0.000 -39.765 36.335) 53.865 27.525 ( 0.000 8.505 0.579) 8.525 28.031 ( 0.000 -1.384 -1.192) 1.827 37.176 ( 0.000 1.853 -3.440) 3.907 37.820 ( 0.000 16.149 -6.909) 17.565 37.839 ( 0.000 14.586 4.951) 15.403 41.540 ( 0.000 33.790 -68.897) 76.737 ======================= Grid point 29 (21/231) ======================= q-point: ( 0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.511 ( 8.043 43.138 39.399) 58.974 4.175 ( 6.238 65.464 21.679) 69.242 6.238 ( 43.385 85.956 22.796) 98.946 8.761 ( 1.475 -2.988 -24.818) 25.041 9.578 ( -6.784 -3.217 -2.230) 7.832 9.875 ( 10.052 -2.762 1.625) 10.551 10.423 ( -5.581 25.746 -5.330) 26.878 10.834 ( -3.570 -21.552 15.123) 26.570 11.327 ( 12.971 -15.958 -0.308) 20.567 12.213 ( -10.520 4.934 -0.080) 11.620 12.497 ( -0.461 -10.649 -6.620) 12.547 13.032 ( 2.163 -9.483 2.838) 10.132 13.252 ( -7.774 -5.312 9.570) 13.426 13.939 ( 11.703 -0.742 -4.849) 12.689 14.171 ( 3.101 -17.497 -1.259) 17.814 14.435 ( 0.784 5.938 -1.221) 6.112 15.400 ( -1.975 -7.710 -5.764) 9.827 16.733 ( -31.164 -3.177 -8.580) 32.480 19.633 ( -0.864 -7.081 2.391) 7.524 19.930 ( -4.587 -19.190 4.184) 20.170 20.335 ( -4.958 13.585 -5.010) 15.305 20.867 ( -6.443 -2.694 -0.626) 7.011 21.618 ( -3.356 -7.740 11.374) 14.161 21.895 ( 1.843 -32.792 23.891) 40.614 27.634 ( 2.083 8.189 0.555) 8.468 28.013 ( 0.181 -0.878 -1.196) 1.495 37.259 ( 8.129 2.464 -1.171) 8.574 37.938 ( -0.404 16.929 -7.088) 18.357 38.162 ( 15.195 15.001 5.087) 21.950 41.487 ( 0.400 18.855 -50.848) 54.233 ======================= Grid point 30 (22/231) ======================= q-point: ( 0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.339 ( 15.989 39.076 36.438) 55.770 5.114 ( 18.422 59.220 14.397) 63.668 7.961 ( 50.819 67.413 18.408) 86.405 8.649 ( 4.782 -7.111 -14.611) 16.939 9.378 ( -11.027 -2.588 -7.862) 13.788 10.032 ( 9.598 -2.254 1.204) 9.933 10.374 ( 0.866 -7.801 -17.571) 19.244 10.666 ( -11.032 -6.058 16.061) 20.405 11.476 ( 15.038 -10.922 -1.553) 18.650 12.060 ( -10.149 7.435 0.095) 12.581 12.347 ( -1.280 -8.735 -4.256) 9.800 13.005 ( 2.445 -13.154 7.364) 15.272 13.018 ( -11.777 -7.606 1.537) 14.104 13.993 ( -3.634 -14.142 5.784) 15.705 14.271 ( 18.785 7.078 -4.672) 20.611 14.526 ( 1.685 8.546 -0.630) 8.734 15.213 ( -5.110 -11.821 -9.486) 15.994 15.972 ( -44.602 -7.706 5.588) 45.606 19.556 ( -6.311 -10.095 -0.368) 11.911 19.738 ( 2.585 -4.792 1.254) 5.588 20.292 ( -11.113 11.403 -5.912) 16.985 20.728 ( -5.066 -2.267 -2.362) 6.031 21.504 ( -7.008 -9.297 9.312) 14.909 21.741 ( 2.281 -27.725 15.051) 31.630 27.745 ( 2.327 5.457 0.454) 5.950 28.011 ( 0.279 1.032 -1.039) 1.490 37.466 ( 11.707 3.248 1.842) 12.288 38.056 ( -0.357 15.835 -7.121) 17.366 38.671 ( 22.943 13.174 6.442) 27.229 41.336 ( -4.043 7.628 -38.302) 39.263 ======================= Grid point 31 (23/231) ======================= q-point: ( 0.38 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.235 ( 23.507 34.375 30.981) 51.904 6.108 ( 25.098 49.936 11.021) 56.965 8.623 ( 8.084 -11.492 -0.558) 14.061 8.909 ( -15.654 -6.638 -11.596) 20.581 9.512 ( 34.955 44.975 4.075) 57.107 10.084 ( 1.636 -5.117 -0.820) 5.434 10.314 ( 7.850 -13.742 -12.582) 20.219 10.500 ( 0.230 -4.528 6.946) 8.295 11.441 ( -0.166 -10.222 -11.379) 15.297 12.055 ( -5.946 4.774 -1.006) 7.692 12.355 ( 6.955 2.720 11.613) 13.807 12.700 ( -9.816 -9.410 1.072) 13.641 12.998 ( -1.743 -1.795 5.544) 6.083 13.796 ( -2.670 -17.805 3.148) 18.278 14.509 ( -2.208 -12.626 -3.158) 13.201 14.643 ( -0.131 15.047 -2.834) 15.312 14.844 ( -11.038 -8.178 0.042) 13.738 15.359 ( -24.237 3.974 5.358) 25.139 19.302 ( -8.675 -7.297 -0.228) 11.338 19.873 ( 10.707 2.411 -0.637) 10.994 20.118 ( -16.530 7.418 -4.306) 18.622 20.644 ( -0.710 -0.609 -2.730) 2.886 21.300 ( -9.390 -11.318 6.000) 15.883 21.586 ( 1.001 -23.048 8.683) 24.649 27.826 ( 2.257 2.586 0.594) 3.484 28.024 ( -0.624 2.618 -0.952) 2.855 37.723 ( 11.436 4.752 2.814) 12.699 38.152 ( -0.814 12.419 -5.360) 13.551 39.253 ( 25.785 10.574 7.776) 28.933 41.080 ( -7.942 0.695 -29.899) 30.943 ======================= Grid point 32 (24/231) ======================= q-point: ( 0.46 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.162 ( 28.944 29.094 25.148) 48.131 7.057 ( 26.569 38.321 8.881) 47.469 8.256 ( -31.656 -12.677 -9.344) 35.357 8.710 ( 9.913 -17.958 2.401) 20.653 9.865 ( -5.112 -5.391 -4.226) 8.547 10.041 ( -3.882 -11.214 -5.952) 13.276 10.478 ( 13.928 19.851 -9.441) 26.023 10.756 ( 26.572 -5.762 -8.387) 28.454 11.376 ( 8.502 0.226 2.004) 8.738 11.918 ( -12.164 5.351 -0.466) 13.297 12.208 ( -19.228 -2.568 -5.000) 20.033 12.935 ( -7.427 -0.893 5.220) 9.122 12.964 ( 20.595 7.655 16.316) 27.367 13.609 ( 2.426 -21.749 0.952) 21.904 14.029 ( -13.434 -21.014 13.101) 28.173 14.638 ( -16.659 -1.631 -8.775) 18.899 14.821 ( -1.017 18.333 -0.437) 18.366 15.204 ( -7.223 8.283 1.719) 11.124 19.172 ( -2.520 2.048 -0.101) 3.249 19.833 ( -19.744 4.008 -3.783) 20.499 20.108 ( 13.289 2.276 0.528) 13.493 20.664 ( 3.964 -0.422 -1.589) 4.292 21.052 ( -7.715 -11.182 2.211) 13.764 21.407 ( -2.219 -18.649 4.581) 19.332 27.891 ( 2.394 1.894 0.958) 3.200 28.020 ( -2.084 2.067 -0.922) 3.076 37.953 ( 6.651 7.343 -1.683) 10.049 38.220 ( -0.254 6.584 1.487) 6.755 39.835 ( 25.599 7.859 8.085) 27.972 40.753 ( -10.727 -3.683 -23.199) 25.823 ======================= Grid point 33 (25/231) ======================= q-point: ( 0.54 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.064 ( 30.549 22.138 17.759) 41.698 7.386 ( -32.965 -12.606 -9.901) 36.655 7.935 ( 20.452 22.484 7.023) 31.196 8.501 ( -14.761 -23.913 4.796) 28.509 9.755 ( -2.138 -4.664 -8.015) 9.517 9.879 ( 9.121 -13.289 -1.284) 16.169 10.603 ( 1.134 13.271 -22.169) 25.863 11.138 ( 17.376 7.402 -2.151) 19.009 11.570 ( -1.581 -6.258 0.953) 6.524 11.846 ( 2.063 0.667 4.926) 5.382 11.908 ( -4.913 11.363 -8.642) 15.098 12.705 ( -18.327 -5.744 15.530) 24.699 13.332 ( 14.833 -12.770 2.987) 19.800 13.463 ( 7.045 -22.856 1.125) 23.944 14.086 ( -28.850 -5.277 -10.292) 31.082 14.128 ( 10.992 9.376 19.831) 24.536 14.988 ( -1.909 18.332 -2.894) 18.657 15.158 ( -8.695 7.857 2.377) 11.958 19.257 ( 4.507 11.013 -0.528) 11.911 19.509 ( -17.845 1.051 -1.941) 17.981 20.364 ( 13.604 1.133 -0.600) 13.664 20.634 ( -6.140 -6.200 1.375) 8.834 20.954 ( 7.713 -4.782 -1.788) 9.249 21.200 ( -4.575 -14.299 2.597) 15.236 27.954 ( 1.262 2.393 0.514) 2.753 27.987 ( -2.064 0.536 -0.029) 2.133 38.030 ( -2.396 7.282 -9.596) 12.282 38.323 ( 2.188 2.891 11.381) 11.944 40.269 ( 2.848 -2.085 -14.348) 14.776 40.485 ( 7.994 1.037 4.455) 9.210 ======================= Grid point 34 (26/231) ======================= q-point: (-0.38 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.487 ( -42.277 -15.346 -11.235) 46.358 7.775 ( -15.034 -9.059 7.264) 18.996 7.911 ( 8.438 1.802 2.389) 8.953 8.535 ( 19.580 9.488 12.298) 24.993 9.595 ( 3.426 -6.380 -10.239) 12.541 10.060 ( 11.849 -3.131 2.121) 12.438 10.667 ( 4.049 16.081 -23.066) 28.409 11.188 ( -21.895 -5.356 3.887) 22.873 11.438 ( 6.671 8.278 -3.403) 11.163 11.948 ( -4.360 -11.647 17.382) 21.372 12.180 ( 27.155 11.235 -14.952) 32.972 12.494 ( -14.451 5.942 16.600) 22.797 13.238 ( -28.241 -7.495 -17.659) 34.140 13.399 ( 7.927 -12.735 -2.934) 15.285 13.536 ( 14.844 -23.513 6.238) 28.498 14.645 ( 13.255 11.402 15.360) 23.273 14.971 ( -11.612 10.800 -0.938) 15.886 15.196 ( -2.660 11.449 3.335) 12.218 19.251 ( -10.700 0.993 -1.286) 10.823 19.511 ( 8.596 15.277 -1.217) 17.571 20.396 ( -7.912 -5.526 0.697) 9.675 20.616 ( 8.905 0.073 0.829) 8.943 21.016 ( -1.426 -7.020 1.133) 7.253 21.101 ( 12.493 -7.463 -2.525) 14.770 27.925 ( -2.597 -0.637 -0.748) 2.777 28.022 ( 0.797 2.615 1.544) 3.139 37.945 ( -6.603 2.996 -8.807) 11.408 38.437 ( -1.296 3.878 12.207) 12.874 39.904 ( -15.112 -8.976 -17.755) 24.984 40.924 ( 21.385 4.321 11.783) 24.796 ======================= Grid point 35 (27/231) ======================= q-point: (-0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.526 ( -46.161 -13.112 -8.725) 48.774 6.934 ( -48.441 -12.697 1.308) 50.094 8.328 ( 20.723 -5.396 -4.093) 21.802 9.043 ( 18.516 9.371 21.302) 29.740 9.677 ( 11.702 3.354 -12.081) 17.151 10.140 ( -1.565 2.282 -2.054) 3.446 10.472 ( -32.159 -6.212 -6.684) 33.429 10.967 ( -3.020 5.566 -6.371) 8.983 11.490 ( -1.922 -18.026 7.529) 19.630 11.873 ( 4.852 7.260 3.379) 9.364 12.184 ( -15.739 -2.752 -5.827) 17.008 12.722 ( 6.618 15.983 1.376) 17.354 12.805 ( -3.256 3.073 -6.958) 8.274 13.468 ( 12.905 -7.295 -2.533) 15.039 13.855 ( 38.869 -10.903 2.448) 40.444 14.758 ( -6.893 2.555 0.244) 7.355 15.004 ( -6.512 6.973 9.393) 13.389 15.262 ( 1.270 4.347 4.995) 6.742 19.172 ( 0.675 2.406 -0.479) 2.545 19.773 ( 5.191 10.179 -3.929) 12.083 20.267 ( -5.800 5.025 6.475) 10.041 20.700 ( 2.217 -2.477 0.510) 3.363 21.032 ( 7.405 -1.207 1.273) 7.610 21.215 ( 13.000 -10.743 -6.407) 18.040 27.872 ( -2.052 -1.455 -0.226) 2.525 28.053 ( -1.067 2.449 1.031) 2.863 37.783 ( -8.466 -0.260 -6.218) 10.507 38.478 ( -6.814 5.088 10.820) 13.762 39.432 ( -18.185 -10.101 -13.821) 24.975 41.381 ( 19.880 3.353 10.559) 22.759 ======================= Grid point 36 (28/231) ======================= q-point: (-0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.559 ( -49.178 -8.215 -5.072) 50.117 5.934 ( -57.294 -6.431 0.977) 57.662 8.574 ( 18.657 -5.613 -1.778) 19.564 9.202 ( -64.954 -7.478 -1.451) 65.400 9.560 ( 5.966 7.157 8.427) 12.563 10.011 ( 8.028 4.253 -3.353) 9.684 10.180 ( 1.313 1.409 1.209) 2.274 10.661 ( -18.446 -6.007 -8.616) 21.227 11.511 ( 9.652 -7.363 -2.647) 12.425 12.050 ( 4.573 3.054 4.826) 7.317 12.143 ( 16.656 -1.316 -3.041) 16.982 12.732 ( -4.415 3.998 0.455) 5.973 12.940 ( 3.937 4.832 -0.574) 6.260 13.637 ( 13.032 -2.630 -1.782) 13.413 14.481 ( 5.381 24.785 -11.774) 27.962 14.811 ( -16.670 0.454 1.914) 16.785 14.842 ( 38.150 -17.104 11.685) 43.411 15.383 ( 5.375 -2.214 6.272) 8.552 19.309 ( 10.993 3.743 -0.064) 11.613 19.786 ( -4.365 -0.027 -2.802) 5.187 20.394 ( 0.528 13.392 7.995) 15.606 20.724 ( 2.508 -0.434 1.623) 3.019 21.185 ( 9.841 -0.582 -0.237) 9.861 21.268 ( 11.574 -10.713 -8.462) 17.898 27.819 ( -2.822 -1.228 0.086) 3.079 28.047 ( -2.058 1.401 0.404) 2.522 37.595 ( -8.954 -1.419 -3.250) 9.631 38.424 ( -11.843 5.561 8.140) 15.409 38.936 ( -20.418 -9.018 -9.434) 24.232 41.786 ( 18.022 2.119 7.504) 19.636 ======================= Grid point 37 (29/231) ======================= q-point: (-0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.635 ( -51.270 -0.000 0.000) 51.270 4.862 ( -63.768 -0.000 0.000) 63.768 7.663 ( -97.065 -0.000 0.000) 97.065 8.850 ( 16.544 0.000 -0.000) 16.544 9.730 ( 2.510 0.000 -0.000) 2.510 10.173 ( 4.405 0.000 -0.000) 4.405 10.284 ( -15.209 -0.000 0.000) 15.209 10.315 ( 9.438 0.000 -0.000) 9.438 11.548 ( 3.605 0.000 -0.000) 3.605 12.246 ( -0.802 -0.000 0.000) 0.802 12.353 ( 16.773 0.000 -0.000) 16.773 12.773 ( 9.027 0.000 -0.000) 9.027 13.027 ( 4.149 0.000 -0.000) 4.149 13.829 ( 11.313 0.000 -0.000) 11.313 14.474 ( -14.304 -0.000 0.000) 14.304 14.508 ( -5.112 -0.000 0.000) 5.112 15.447 ( 3.504 0.000 -0.000) 3.504 15.754 ( 55.900 0.000 -0.000) 55.900 19.571 ( 15.057 0.000 -0.000) 15.057 19.685 ( -5.140 -0.000 0.000) 5.140 20.475 ( -3.499 -0.000 0.000) 3.499 20.789 ( 4.152 0.000 -0.000) 4.152 21.340 ( 7.269 0.000 -0.000) 7.269 21.380 ( 13.155 0.000 -0.000) 13.155 27.740 ( -5.877 -0.000 0.000) 5.877 28.029 ( -0.661 -0.000 0.000) 0.661 37.429 ( -7.912 -0.000 0.000) 7.912 38.256 ( -15.095 -0.000 0.000) 15.095 38.487 ( -21.211 -0.000 0.000) 21.211 42.112 ( 15.571 0.000 -0.000) 15.571 ======================= Grid point 42 (30/231) ======================= q-point: ( 0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.097 ( -0.000 43.675 37.604) 57.633 4.946 ( -0.000 61.905 29.411) 68.537 6.851 ( 0.000 88.847 18.435) 90.739 8.589 ( 0.000 0.962 -29.173) 29.189 9.616 ( -0.000 -16.734 5.012) 17.468 9.665 ( 0.000 -0.473 -11.452) 11.462 10.749 ( 0.000 25.288 -6.010) 25.992 10.761 ( -0.000 -18.143 11.597) 21.533 11.009 ( -0.000 -16.171 2.910) 16.431 12.362 ( 0.000 -7.803 -6.838) 10.375 12.380 ( -0.000 4.938 3.354) 5.970 12.868 ( -0.000 -18.127 0.934) 18.151 13.336 ( -0.000 -15.185 10.211) 18.298 13.671 ( 0.000 -2.755 -11.808) 12.125 14.069 ( -0.000 -3.340 7.120) 7.864 14.506 ( 0.000 8.872 -0.279) 8.877 15.311 ( 0.000 -7.786 -6.012) 9.837 16.953 ( 0.000 -4.657 -5.140) 6.936 19.549 ( -0.000 -12.002 3.475) 12.495 19.764 ( -0.000 -18.754 -1.458) 18.810 20.486 ( 0.000 9.907 -1.312) 9.993 20.911 ( -0.000 -3.012 0.335) 3.030 21.628 ( -0.000 -9.739 11.921) 15.394 21.670 ( -0.000 -29.960 17.851) 34.875 27.710 ( 0.000 9.106 0.721) 9.134 27.989 ( 0.000 -1.358 -1.183) 1.801 37.199 ( 0.000 3.992 -3.219) 5.129 38.064 ( 0.000 17.129 -8.854) 19.282 38.232 ( 0.000 17.825 6.609) 19.010 41.407 ( 0.000 15.862 -42.714) 45.564 ======================= Grid point 43 (31/231) ======================= q-point: ( 0.31 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.780 ( 5.666 40.948 37.367) 55.724 5.687 ( -0.396 60.508 24.031) 65.106 8.052 ( 29.270 71.388 14.541) 78.514 8.454 ( 1.071 -0.243 -21.800) 21.827 9.420 ( -1.050 -10.677 -6.541) 12.565 9.660 ( 10.318 -11.535 -13.481) 20.525 10.403 ( -17.717 -9.349 -4.106) 20.449 10.875 ( -6.026 -5.049 15.175) 17.090 11.125 ( 17.034 -2.537 -2.496) 17.401 12.280 ( -1.379 2.047 -6.166) 6.641 12.308 ( -10.830 0.696 1.714) 10.987 12.791 ( 8.187 -15.456 4.452) 18.048 13.095 ( -6.168 -17.253 5.335) 19.084 13.713 ( 9.205 -12.544 -8.193) 17.584 14.182 ( 4.315 9.427 11.668) 15.608 14.605 ( 1.536 9.649 -1.242) 9.849 15.169 ( -4.350 -5.815 -7.321) 10.312 16.598 ( -29.493 -8.613 3.225) 30.894 19.461 ( -0.111 -14.867 0.929) 14.896 19.596 ( 4.122 -10.341 -3.743) 11.745 20.538 ( -3.713 7.911 -0.932) 8.789 20.802 ( -7.778 -2.309 -0.871) 8.161 21.502 ( 1.632 -25.103 11.688) 27.738 21.555 ( -3.839 -11.009 10.482) 15.678 27.795 ( -0.510 6.821 0.694) 6.876 27.992 ( 1.970 0.271 -0.971) 2.213 37.311 ( 9.507 3.913 -1.333) 10.367 38.177 ( -0.524 16.200 -9.002) 18.541 38.552 ( 11.727 16.822 7.068) 21.690 41.286 ( -3.499 8.735 -34.361) 35.626 ======================= Grid point 44 (32/231) ======================= q-point: ( 0.38 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.510 ( 10.075 37.725 35.146) 52.536 6.433 ( 7.079 54.480 17.662) 57.707 8.371 ( 5.410 -7.160 -9.634) 13.166 9.019 ( 1.758 7.496 -0.599) 7.723 9.466 ( 17.373 27.468 -2.368) 32.587 9.652 ( 19.134 -17.945 -26.372) 37.197 10.068 ( -6.350 0.159 -1.027) 6.434 10.698 ( -11.822 -13.060 13.902) 22.441 11.276 ( 5.350 -4.700 -6.645) 9.740 12.239 ( -4.747 9.619 2.274) 10.965 12.292 ( 6.278 2.524 -0.441) 6.781 12.707 ( -4.911 -16.912 5.643) 18.492 13.021 ( 4.241 -0.591 8.392) 9.422 13.572 ( -0.145 -20.951 -5.351) 21.624 14.377 ( 0.991 -4.295 7.279) 8.509 14.742 ( 4.692 7.883 -1.828) 9.354 15.001 ( -7.772 7.361 -5.779) 12.165 15.967 ( -35.634 -4.222 8.550) 36.888 19.265 ( -1.738 -14.600 -1.320) 14.762 19.678 ( 11.404 -2.261 -2.595) 11.912 20.478 ( -13.134 9.893 -2.932) 16.703 20.653 ( -4.636 -1.957 -1.977) 5.406 21.317 ( -2.847 -22.838 8.610) 24.572 21.419 ( -3.343 -12.354 7.236) 14.702 27.837 ( -0.026 2.976 0.732) 3.064 28.039 ( 1.492 2.807 -0.772) 3.272 37.561 ( 14.035 4.030 1.689) 14.699 38.260 ( -1.428 13.529 -8.505) 16.044 39.014 ( 19.114 13.484 7.067) 24.436 41.074 ( -7.475 2.631 -27.256) 28.385 ======================= Grid point 45 (33/231) ======================= q-point: ( 0.46 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.262 ( 14.547 34.068 29.566) 47.396 7.184 ( 12.737 42.438 14.293) 46.557 8.385 ( 9.661 -13.224 1.628) 16.458 8.637 ( -28.521 -8.487 -7.180) 30.611 9.593 ( 9.331 -13.582 -19.236) 25.329 9.885 ( 26.870 -11.937 -19.490) 35.276 10.220 ( -3.553 5.893 -2.137) 7.205 10.554 ( 1.773 5.426 2.929) 6.416 11.292 ( 7.434 2.254 2.300) 8.102 12.199 ( -11.576 12.390 -3.376) 17.289 12.434 ( -12.494 -11.426 3.366) 17.262 12.612 ( 21.590 -0.502 4.805) 22.124 13.180 ( -4.060 5.031 9.571) 11.550 13.306 ( 2.923 -21.227 2.335) 21.554 14.153 ( -11.959 -13.764 6.811) 19.464 14.806 ( -4.033 0.304 1.792) 4.424 15.063 ( -3.674 21.201 -4.997) 22.089 15.496 ( -20.692 2.058 4.952) 21.376 19.158 ( 2.192 -5.392 -0.011) 5.821 19.870 ( 14.302 -1.725 -2.261) 14.582 20.248 ( -21.780 8.963 -3.552) 23.818 20.600 ( 1.108 -0.566 -2.545) 2.833 21.063 ( -6.219 -18.895 5.810) 20.723 21.282 ( -1.799 -13.476 4.291) 14.257 27.879 ( 1.710 1.814 1.070) 2.713 28.067 ( -1.120 2.552 -0.835) 2.910 37.863 ( 12.990 5.462 3.204) 14.451 38.298 ( -2.086 8.771 -6.261) 10.977 39.532 ( 22.830 9.683 6.243) 25.572 40.786 ( -10.421 -1.813 -20.955) 23.473 ======================= Grid point 46 (34/231) ======================= q-point: ( 0.54 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.000 ( 17.743 28.633 20.685) 39.529 7.722 ( -9.392 7.944 3.717) 12.850 8.046 ( -13.306 7.370 2.741) 15.455 8.388 ( 3.847 -17.389 4.374) 18.339 9.487 ( 6.997 -18.780 -15.152) 25.124 9.852 ( -6.826 0.534 -4.273) 8.071 10.456 ( 34.288 -9.769 -10.867) 37.271 10.631 ( 6.838 16.191 -19.856) 26.518 11.551 ( 7.194 1.231 8.654) 11.321 12.050 ( -16.611 0.494 7.104) 18.073 12.127 ( -12.676 3.968 -7.920) 15.464 12.885 ( 3.163 -32.282 6.289) 33.041 12.941 ( 6.011 1.269 2.138) 6.505 13.330 ( -5.354 -2.561 6.723) 8.968 14.161 ( 9.074 10.484 16.908) 21.866 14.527 ( -27.040 -1.836 -1.759) 27.159 15.167 ( -1.924 15.541 -2.988) 15.943 15.338 ( -6.239 3.621 -0.171) 7.216 19.240 ( 7.217 4.727 0.446) 8.639 19.894 ( -24.203 4.357 -1.682) 24.650 20.097 ( 15.462 -1.963 -3.170) 15.905 20.620 ( 1.902 -2.404 -1.074) 3.249 20.847 ( -2.315 -10.426 2.632) 11.000 21.131 ( -2.843 -12.590 2.194) 13.092 27.944 ( 2.799 1.932 1.282) 3.635 28.042 ( -3.244 1.172 -0.821) 3.545 38.094 ( 2.310 8.729 -2.464) 9.360 38.328 ( 3.373 1.821 2.616) 4.641 40.029 ( 20.379 6.475 1.521) 21.437 40.471 ( -9.073 -4.760 -11.928) 15.724 ======================= Grid point 47 (35/231) ======================= q-point: (-0.38 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.029 ( -40.304 -9.058 -6.702) 41.849 7.643 ( 15.670 16.590 8.885) 24.489 8.109 ( -15.358 -12.708 0.772) 19.949 8.433 ( 14.267 6.945 17.872) 23.900 9.339 ( 7.128 -11.654 -15.102) 20.364 9.862 ( 6.146 0.870 1.206) 6.324 10.654 ( 6.611 16.213 -18.996) 25.835 11.217 ( 39.293 6.746 -8.868) 40.842 11.489 ( -12.072 -8.145 6.495) 15.946 11.764 ( -8.832 -3.601 -1.229) 9.616 12.030 ( -3.477 0.188 -1.006) 3.625 12.708 ( 1.242 -11.955 15.991) 20.005 13.092 ( 9.937 -5.416 -0.977) 11.359 13.231 ( -1.411 -6.808 2.768) 7.483 13.844 ( -42.365 -3.542 -6.655) 43.030 14.628 ( 12.474 12.361 14.756) 22.937 15.212 ( -6.781 8.488 -2.979) 11.266 15.317 ( -0.229 5.170 0.433) 5.193 19.476 ( 10.138 9.940 -0.510) 14.207 19.524 ( -20.015 2.141 -1.529) 20.187 20.301 ( 12.105 -3.907 -2.617) 12.986 20.572 ( -1.827 -2.698 4.452) 5.517 20.846 ( 6.714 -3.343 -2.968) 8.066 20.974 ( -2.267 -10.244 1.543) 10.604 27.977 ( -3.920 0.280 -0.695) 3.991 28.022 ( 2.584 1.677 1.230) 3.317 38.068 ( -7.572 4.854 -5.737) 10.668 38.488 ( 6.303 2.197 8.098) 10.494 39.999 ( -14.016 -3.939 -13.531) 19.876 40.622 ( 22.655 1.864 6.591) 23.668 ======================= Grid point 48 (36/231) ======================= q-point: (-0.31 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.182 ( -44.982 -5.991 -3.896) 45.547 7.560 ( -34.481 -7.124 0.510) 35.213 7.980 ( 13.009 0.551 -2.018) 13.176 8.932 ( 20.868 8.372 21.913) 31.397 9.360 ( 13.158 -4.754 -15.768) 21.080 10.005 ( 9.091 -1.978 -0.395) 9.312 10.806 ( -3.775 15.079 -12.590) 20.003 11.184 ( -17.507 4.483 -1.278) 18.117 11.361 ( -2.464 -14.643 5.849) 15.960 11.918 ( 0.825 -4.370 8.008) 9.160 12.234 ( 32.438 5.862 -7.385) 33.781 12.790 ( -0.312 7.641 5.548) 9.448 12.985 ( -34.139 -3.140 -7.101) 35.011 13.208 ( 7.188 -5.780 -1.283) 9.313 13.235 ( 11.861 -10.054 4.282) 16.128 14.868 ( -0.959 2.396 2.829) 3.830 15.202 ( -1.935 8.098 4.520) 9.474 15.332 ( -3.365 0.970 -0.917) 3.620 19.258 ( -10.323 0.682 -0.697) 10.368 19.732 ( 8.158 6.627 -1.828) 10.668 20.397 ( 2.564 2.984 2.648) 4.743 20.624 ( 3.395 1.873 1.641) 4.211 20.835 ( 6.265 -12.835 -1.970) 14.417 20.970 ( 5.856 -0.772 -1.080) 6.004 27.907 ( -3.388 -0.380 -0.298) 3.422 28.077 ( 1.132 1.241 0.679) 1.812 37.920 ( -9.575 1.162 -3.136) 10.143 38.622 ( 1.089 2.815 6.097) 6.803 39.607 ( -18.363 -4.570 -8.162) 20.609 41.072 ( 23.157 1.378 4.235) 23.582 ======================= Grid point 49 (37/231) ======================= q-point: (-0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.341 ( -47.732 -0.000 0.000) 47.732 6.812 ( -47.877 -0.000 0.000) 47.877 8.221 ( 17.305 0.000 -0.000) 17.305 9.445 ( 11.497 0.000 -0.000) 11.497 9.485 ( 19.325 0.000 -0.000) 19.325 10.111 ( 5.089 0.000 -0.000) 5.089 10.416 ( -40.249 -0.000 0.000) 40.249 11.009 ( -19.208 -0.000 0.000) 19.208 11.319 ( 7.810 0.000 -0.000) 7.810 11.953 ( 3.899 0.000 -0.000) 3.899 12.108 ( -16.138 -0.000 0.000) 16.138 12.810 ( -0.004 -0.000 0.000) 0.004 12.912 ( 2.525 0.000 -0.000) 2.525 13.391 ( 13.035 0.000 -0.000) 13.035 13.753 ( 53.888 0.000 -0.000) 53.888 14.779 ( -8.532 -0.000 0.000) 8.532 15.134 ( -15.912 -0.000 0.000) 15.912 15.323 ( 3.951 0.000 -0.000) 3.951 19.194 ( 2.533 0.000 -0.000) 2.533 19.825 ( 0.129 0.000 -0.000) 0.129 20.487 ( 1.115 0.000 -0.000) 1.115 20.676 ( 2.805 0.000 -0.000) 2.805 20.922 ( 12.582 0.000 -0.000) 12.582 21.074 ( 7.244 0.000 -0.000) 7.244 27.855 ( -2.414 -0.000 0.000) 2.414 28.086 ( -1.059 -0.000 0.000) 1.059 37.745 ( -9.949 -0.000 0.000) 9.949 38.626 ( -5.111 -0.000 0.000) 5.111 39.217 ( -20.618 -0.000 0.000) 20.618 41.475 ( 21.271 0.000 -0.000) 21.271 ======================= Grid point 56 (38/231) ======================= q-point: ( 0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.339 ( -0.000 39.694 35.761) 53.427 6.443 ( -0.000 56.054 27.580) 62.471 8.278 ( 0.000 8.127 -23.242) 24.622 8.617 ( 0.000 58.839 9.702) 59.634 9.089 ( 0.000 -28.145 -13.652) 31.281 9.470 ( 0.000 -4.785 -14.998) 15.743 10.587 ( -0.000 -3.533 1.237) 3.743 10.860 ( 0.000 -1.480 -8.239) 8.371 10.917 ( -0.000 -12.639 19.106) 22.908 12.252 ( 0.000 -5.099 -11.140) 12.252 12.522 ( -0.000 -3.928 1.937) 4.380 12.567 ( -0.000 8.819 7.194) 11.381 12.889 ( -0.000 -33.074 7.739) 33.967 13.594 ( 0.000 2.421 -4.139) 4.795 14.316 ( -0.000 11.198 11.300) 15.908 14.641 ( 0.000 2.095 -1.404) 2.522 15.147 ( 0.000 1.822 -6.679) 6.923 16.757 ( -0.000 -13.851 2.597) 14.092 19.359 ( 0.000 -16.026 -8.728) 18.248 19.366 ( -0.000 -9.768 2.989) 10.215 20.586 ( -0.000 -2.663 4.569) 5.288 20.855 ( -0.000 -2.232 -0.797) 2.370 21.356 ( -0.000 -12.850 4.988) 13.784 21.529 ( -0.000 -12.322 9.941) 15.832 27.890 ( 0.000 7.816 0.845) 7.861 27.953 ( 0.000 -1.105 -0.877) 1.411 37.250 ( 0.000 4.107 -2.568) 4.844 38.291 ( 0.000 15.213 -8.369) 17.363 38.671 ( -0.000 17.780 7.718) 19.383 41.214 ( 0.000 5.481 -29.255) 29.764 ======================= Grid point 57 (39/231) ======================= q-point: ( 0.38 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.957 ( 4.594 36.634 34.458) 50.503 7.078 ( -3.948 51.307 23.161) 56.430 8.201 ( 1.224 -1.298 -15.815) 15.916 8.820 ( 11.371 -18.249 -18.149) 28.137 9.251 ( 3.865 4.023 -8.876) 10.483 9.402 ( 9.862 14.060 -3.720) 17.572 10.348 ( -17.139 12.068 -2.262) 21.084 10.749 ( -3.784 -16.760 8.610) 19.218 11.091 ( 10.510 -0.306 1.246) 10.588 12.066 ( 5.665 -16.624 -7.759) 19.200 12.512 ( -7.361 11.724 0.429) 13.850 12.588 ( 0.521 -21.762 6.011) 22.583 12.904 ( 11.950 6.680 12.761) 18.716 13.534 ( -7.406 -1.163 -1.761) 7.701 14.439 ( -4.429 0.892 6.208) 7.678 14.682 ( 6.362 1.624 0.155) 6.568 15.149 ( -2.316 11.324 -5.715) 12.895 16.429 ( -21.271 -13.476 5.258) 25.724 19.120 ( -1.299 -14.281 -5.140) 15.233 19.415 ( 11.140 -6.849 -1.733) 13.192 20.565 ( 0.151 -6.064 3.963) 7.245 20.790 ( -5.301 1.236 -1.393) 5.618 21.228 ( -5.762 -8.967 2.014) 10.847 21.427 ( -3.638 -11.973 8.008) 14.857 27.890 ( -2.611 1.801 0.260) 3.183 28.023 ( 3.486 3.702 -0.098) 5.086 37.372 ( 10.759 3.372 -1.070) 11.325 38.374 ( -1.577 13.002 -7.779) 15.233 38.962 ( 8.838 15.448 7.941) 19.489 41.060 ( -4.573 1.492 -23.853) 24.333 ======================= Grid point 58 (40/231) ======================= q-point: ( 0.46 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.596 ( 7.566 33.345 31.427) 46.441 7.604 ( -0.905 39.786 17.258) 43.377 8.150 ( 4.222 -6.874 -2.054) 8.324 8.830 ( 7.000 -7.531 -16.603) 19.529 9.087 ( 5.556 -9.597 -19.430) 22.372 9.430 ( -2.717 -14.238 -8.422) 16.764 10.383 ( -6.454 4.375 1.408) 7.923 10.617 ( -1.924 7.098 -2.073) 7.641 11.178 ( 6.821 -0.772 1.168) 6.963 12.171 ( 22.159 -10.044 -4.233) 24.695 12.338 ( 0.458 -25.089 6.418) 25.901 12.555 ( -9.888 13.417 0.116) 16.667 13.266 ( -3.124 5.380 8.250) 10.333 13.346 ( -1.799 8.012 8.153) 11.572 14.251 ( -10.614 -8.618 0.953) 13.705 14.823 ( 3.897 1.252 3.212) 5.203 15.240 ( -0.022 15.168 -5.363) 16.088 15.934 ( -25.553 -7.140 5.216) 27.039 19.016 ( 5.022 -8.041 -2.126) 9.716 19.565 ( 14.482 -5.563 -2.663) 15.741 20.534 ( -0.499 -1.218 -0.081) 1.318 20.671 ( -11.391 4.205 -1.635) 12.251 21.000 ( -8.487 -13.673 3.021) 16.373 21.274 ( -5.313 -9.348 4.717) 11.741 27.882 ( 0.021 1.020 0.576) 1.171 28.095 ( 0.782 2.940 -0.267) 3.054 37.649 ( 16.871 2.786 1.393) 17.156 38.402 ( -3.481 9.537 -6.991) 12.327 39.348 ( 15.024 11.497 7.244) 20.257 40.825 ( -8.558 -1.699 -18.291) 20.266 ======================= Grid point 59 (41/231) ======================= q-point: ( 0.54 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.217 ( 8.774 30.442 24.824) 40.248 7.973 ( 0.026 13.564 9.923) 16.807 8.179 ( 3.311 -4.241 3.472) 6.403 8.440 ( -25.693 -4.790 -3.567) 26.378 9.119 ( 4.980 -12.459 -16.584) 21.332 9.453 ( 37.315 -6.169 -17.615) 41.723 10.160 ( -11.879 -7.407 3.988) 14.556 10.641 ( -0.503 12.688 -16.954) 21.181 11.409 ( 12.291 -2.137 6.000) 13.843 12.187 ( 2.798 -16.741 8.326) 18.905 12.387 ( 11.361 -7.164 -9.992) 16.740 12.433 ( -13.026 1.109 5.865) 14.329 13.054 ( -11.338 2.639 1.578) 11.747 13.525 ( -10.112 2.458 6.721) 12.388 14.194 ( 7.608 9.193 10.498) 15.894 14.826 ( -7.262 -1.432 2.221) 7.728 15.330 ( -2.188 11.088 -5.015) 12.365 15.522 ( -17.154 -2.664 1.428) 17.419 19.108 ( 10.529 -0.239 0.057) 10.531 19.765 ( 16.320 -5.043 -1.921) 17.189 20.371 ( -24.033 6.640 -2.905) 25.102 20.575 ( 0.777 1.326 -2.968) 3.342 20.772 ( -1.739 -15.272 5.736) 16.406 21.120 ( -5.583 -6.599 1.585) 8.789 27.918 ( 2.383 0.959 0.774) 2.683 28.102 ( -2.248 1.530 -0.417) 2.751 37.990 ( 16.877 3.298 3.109) 17.475 38.364 ( -4.964 4.741 -5.264) 8.651 39.775 ( 19.031 7.859 5.320) 21.266 40.537 ( -11.272 -3.970 -12.513) 17.303 ======================= Grid point 60 (42/231) ======================= q-point: ( 0.62 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.588 ( -28.884 2.597 -1.369) 29.033 7.769 ( -4.704 15.627 11.665) 20.060 8.162 ( -1.366 -4.919 0.199) 5.109 8.313 ( 9.353 -5.645 8.653) 13.936 9.024 ( 7.049 -6.417 -12.123) 15.421 9.890 ( -2.863 4.630 -1.090) 5.552 10.193 ( 43.767 -6.623 -4.818) 44.527 10.757 ( 9.738 14.865 -13.904) 22.564 11.484 ( 2.046 -12.603 6.065) 14.135 12.081 ( -17.062 -0.745 8.530) 19.090 12.181 ( -14.305 4.335 -9.501) 17.711 12.440 ( 14.291 -14.143 4.886) 20.692 13.015 ( 0.777 2.154 1.522) 2.749 13.318 ( -10.890 -2.065 1.416) 11.175 14.456 ( -26.208 2.119 1.106) 26.316 14.613 ( 7.545 6.976 8.301) 13.210 15.334 ( -1.418 2.224 -1.377) 2.975 15.353 ( -4.115 2.229 -2.308) 5.218 19.339 ( 13.232 3.510 0.133) 13.690 19.944 ( -24.667 -0.395 3.245) 24.883 20.001 ( 14.321 -0.658 -5.939) 15.518 20.563 ( -0.026 -2.044 0.226) 2.057 20.742 ( 4.494 -2.891 1.526) 5.557 20.965 ( -6.131 -4.800 0.102) 7.787 27.984 ( 3.522 0.759 0.577) 3.648 28.051 ( -4.216 0.417 -0.320) 4.249 38.219 ( -5.224 5.232 -1.573) 7.559 38.353 ( 11.784 -1.272 1.726) 11.978 40.138 ( -2.086 5.371 -2.784) 6.399 40.299 ( 10.067 -5.018 -0.984) 11.292 ======================= Grid point 61 (43/231) ======================= q-point: (-0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.896 ( -42.359 -0.000 0.000) 42.359 7.869 ( 0.532 0.000 -0.000) 0.532 7.976 ( -16.677 -0.000 0.000) 16.677 8.645 ( 23.864 0.000 -0.000) 23.864 9.093 ( 8.479 0.000 -0.000) 8.479 9.880 ( 3.317 0.000 -0.000) 3.317 10.751 ( 15.420 0.000 -0.000) 15.420 11.237 ( 37.894 0.000 -0.000) 37.894 11.374 ( -7.314 -0.000 0.000) 7.314 11.791 ( -13.615 -0.000 0.000) 13.615 11.949 ( -5.475 -0.000 0.000) 5.475 12.666 ( 14.476 0.000 -0.000) 14.476 13.063 ( 2.503 0.000 -0.000) 2.503 13.180 ( -3.945 -0.000 0.000) 3.945 13.782 ( -46.348 -0.000 0.000) 46.348 14.846 ( 7.001 0.000 -0.000) 7.001 15.297 ( -3.785 -0.000 0.000) 3.785 15.348 ( 1.234 0.000 -0.000) 1.234 19.534 ( -20.952 -0.000 0.000) 20.952 19.586 ( 12.126 0.000 -0.000) 12.126 20.239 ( 13.582 0.000 -0.000) 13.582 20.598 ( 5.176 0.000 -0.000) 5.176 20.753 ( -4.567 -0.000 0.000) 4.567 20.886 ( 2.535 0.000 -0.000) 2.535 27.974 ( -4.483 -0.000 0.000) 4.483 28.048 ( 3.009 0.000 -0.000) 3.009 38.085 ( -9.547 -0.000 0.000) 9.547 38.561 ( 8.968 0.000 -0.000) 8.968 39.876 ( -17.532 -0.000 0.000) 17.532 40.678 ( 24.312 0.000 -0.000) 24.312 ======================= Grid point 70 (44/231) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.454 ( -0.000 33.475 32.329) 46.537 7.690 ( -0.000 33.990 18.064) 38.492 8.112 ( 0.000 3.180 -17.439) 17.727 8.428 ( 0.000 -12.298 -11.176) 16.617 9.093 ( 0.000 -11.383 -19.078) 22.216 9.529 ( 0.000 16.754 5.388) 17.599 10.556 ( -0.000 -17.218 2.367) 17.380 10.789 ( 0.000 26.574 -7.001) 27.481 10.987 ( -0.000 -1.281 10.315) 10.394 11.717 ( 0.000 -25.813 -14.530) 29.621 12.287 ( -0.000 -32.197 8.163) 33.216 12.813 ( 0.000 18.700 1.861) 18.792 12.985 ( -0.000 19.352 13.215) 23.433 13.614 ( -0.000 -0.030 1.365) 1.365 14.538 ( 0.000 -6.537 -2.821) 7.120 14.620 ( -0.000 7.182 6.800) 9.890 15.248 ( 0.000 11.235 -4.814) 12.223 16.472 ( -0.000 -17.610 3.821) 18.020 18.953 ( 0.000 -13.535 -9.557) 16.569 19.240 ( -0.000 -5.547 1.957) 5.882 20.505 ( -0.000 -9.354 6.057) 11.143 20.811 ( 0.000 -0.560 -1.853) 1.935 21.274 ( 0.000 0.543 -0.906) 1.057 21.380 ( -0.000 -11.551 6.932) 13.471 27.927 ( 0.000 -0.760 -0.502) 0.911 28.030 ( 0.000 5.248 0.760) 5.302 37.296 ( 0.000 2.854 -1.714) 3.329 38.470 ( 0.000 10.519 -5.771) 11.998 39.084 ( -0.000 14.338 7.700) 16.275 40.982 ( 0.000 -0.589 -19.543) 19.552 ======================= Grid point 71 (45/231) ======================= q-point: ( 0.46 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.973 ( 4.378 28.540 28.767) 40.758 7.839 ( 1.652 -5.129 -1.462) 5.583 8.195 ( 10.893 9.672 -6.859) 16.102 8.473 ( -1.546 17.887 2.611) 18.143 8.863 ( 1.197 -14.606 -19.308) 24.240 9.535 ( -13.666 -2.403 1.062) 13.916 10.445 ( -0.204 -6.822 5.057) 8.494 10.817 ( -10.554 17.083 -8.352) 21.748 11.094 ( 1.546 -2.274 1.036) 2.938 11.608 ( 21.880 -15.300 -9.463) 28.326 12.068 ( 3.961 -25.870 8.574) 27.541 12.884 ( -9.944 15.617 0.672) 18.527 13.401 ( 11.107 21.703 13.587) 27.911 13.528 ( -9.486 -1.295 2.112) 9.805 14.363 ( -9.834 -5.267 -1.230) 11.223 14.756 ( 5.314 0.103 2.047) 5.695 15.330 ( 0.397 9.651 -3.878) 10.409 16.203 ( -13.788 -12.648 3.288) 18.997 18.824 ( 4.695 -8.655 -5.390) 11.225 19.288 ( 9.193 -4.340 -0.067) 10.166 20.474 ( 2.447 -5.841 3.329) 7.154 20.772 ( -2.963 -0.999 -1.074) 3.307 21.173 ( -11.890 1.103 -1.389) 12.021 21.287 ( -3.033 -8.643 4.861) 10.370 27.902 ( -1.256 -0.008 -0.031) 1.256 28.099 ( 1.806 2.990 0.297) 3.506 37.415 ( 11.555 1.834 -0.629) 11.717 38.509 ( -2.477 7.285 -4.359) 8.844 39.311 ( 7.000 10.419 6.585) 14.174 40.832 ( -4.812 -2.025 -14.069) 15.006 ======================= Grid point 72 (46/231) ======================= q-point: ( 0.54 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.481 ( 8.385 22.386 21.822) 32.367 7.853 ( 8.359 -7.347 -1.143) 11.187 8.449 ( -1.950 9.206 1.975) 9.615 8.578 ( -6.353 4.033 -6.549) 9.975 8.716 ( 21.854 -9.375 -11.248) 26.306 9.144 ( -20.698 -4.758 -2.133) 21.345 10.338 ( -11.052 -3.295 3.626) 12.089 10.705 ( -4.612 6.949 -12.682) 15.179 11.210 ( 9.909 -1.540 2.903) 10.440 11.785 ( 18.278 -16.449 1.463) 24.633 12.096 ( 12.703 -4.689 1.238) 13.597 12.788 ( -15.049 6.928 -0.078) 16.567 13.326 ( -13.761 1.096 1.722) 13.912 13.761 ( -4.668 8.632 6.222) 11.620 14.203 ( 1.913 3.201 3.041) 4.812 14.818 ( 3.454 -3.294 -0.246) 4.779 15.396 ( 0.341 5.154 -2.646) 5.804 15.836 ( -19.655 -4.710 1.492) 20.267 18.897 ( 11.407 -2.252 -1.195) 11.688 19.448 ( 13.853 -3.058 -0.832) 14.211 20.516 ( 4.812 -0.304 0.008) 4.822 20.678 ( -5.583 -2.063 0.432) 5.967 20.878 ( -21.221 -1.053 -0.397) 21.250 21.174 ( -4.846 -3.840 1.739) 6.423 27.898 ( 0.744 0.227 0.202) 0.803 28.136 ( -0.216 1.178 -0.018) 1.198 37.697 ( 18.713 0.929 0.530) 18.744 38.478 ( -5.062 3.501 -2.662) 6.706 39.593 ( 13.055 5.336 3.995) 14.658 40.629 ( -9.152 -2.090 -7.517) 12.026 ======================= Grid point 73 (47/231) ======================= q-point: (-0.38 -0.62 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.870 ( 2.131 0.000 -0.000) 2.131 7.952 ( 16.232 0.000 -0.000) 16.232 8.238 ( -28.568 -0.000 0.000) 28.568 8.292 ( -10.667 -0.000 0.000) 10.667 8.911 ( -2.229 -0.000 0.000) 2.229 9.300 ( 45.394 0.000 -0.000) 45.394 10.102 ( -13.295 -0.000 0.000) 13.295 10.701 ( 2.436 0.000 -0.000) 2.436 11.342 ( 7.222 0.000 -0.000) 7.222 12.040 ( 19.284 0.000 -0.000) 19.284 12.246 ( 3.374 0.000 -0.000) 3.374 12.513 ( -19.678 -0.000 0.000) 19.678 13.118 ( -10.663 -0.000 0.000) 10.663 13.549 ( -16.255 -0.000 0.000) 16.255 14.453 ( 13.830 0.000 -0.000) 13.830 14.793 ( -6.490 -0.000 0.000) 6.490 15.407 ( -1.302 -0.000 0.000) 1.302 15.484 ( -16.916 -0.000 0.000) 16.916 19.113 ( 14.101 0.000 -0.000) 14.101 19.693 ( 16.520 0.000 -0.000) 16.520 20.427 ( -27.158 -0.000 0.000) 27.158 20.590 ( -4.327 -0.000 0.000) 4.327 20.625 ( 6.668 0.000 -0.000) 6.668 21.061 ( -6.564 -0.000 0.000) 6.564 27.932 ( 2.789 0.000 -0.000) 2.789 28.115 ( -2.766 -0.000 0.000) 2.766 38.044 ( 19.648 0.000 -0.000) 19.648 38.380 ( -7.259 -0.000 0.000) 7.259 39.906 ( 18.811 0.000 -0.000) 18.811 40.404 ( -12.824 -0.000 0.000) 12.824 ======================= Grid point 85 (48/231) ======================= q-point: ( 0.46 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.314 ( -0.000 18.696 20.080) 27.436 7.701 ( 0.000 -8.530 -5.722) 10.271 8.050 ( 0.000 4.025 -4.781) 6.250 8.596 ( 0.000 -14.025 -17.148) 22.153 8.846 ( -0.000 20.415 10.280) 22.857 9.690 ( -0.000 1.090 1.423) 1.793 10.428 ( -0.000 2.642 6.381) 6.906 11.000 ( 0.000 -20.850 -9.390) 22.867 11.066 ( -0.000 -4.552 -0.838) 4.629 11.226 ( 0.000 20.839 -8.073) 22.348 11.831 ( -0.000 -20.723 7.557) 22.058 13.137 ( 0.000 10.042 0.796) 10.074 13.533 ( -0.000 16.661 8.301) 18.615 13.599 ( -0.000 -2.638 1.477) 3.023 14.414 ( 0.000 -2.796 -1.166) 3.029 14.704 ( -0.000 -1.855 0.563) 1.939 15.382 ( 0.000 4.961 -2.034) 5.362 16.218 ( -0.000 -8.771 1.720) 8.938 18.667 ( 0.000 -5.889 -4.168) 7.215 19.187 ( -0.000 -1.505 0.715) 1.666 20.414 ( -0.000 -3.797 2.252) 4.415 20.791 ( 0.000 0.227 -1.219) 1.240 21.261 ( -0.000 -5.099 2.738) 5.788 21.292 ( 0.000 1.198 -0.645) 1.360 27.912 ( 0.000 -0.281 -0.161) 0.324 28.108 ( 0.000 1.851 0.315) 1.877 37.322 ( 0.000 0.999 -0.615) 1.174 38.569 ( 0.000 3.760 -2.029) 4.273 39.367 ( -0.000 6.113 3.942) 7.274 40.793 ( 0.000 -1.566 -7.769) 7.925 ======================= Grid point 86 (49/231) ======================= q-point: (-0.46 -0.54 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.540 ( 7.121 0.000 -0.000) 7.121 7.678 ( 4.287 0.000 -0.000) 4.287 8.208 ( 16.139 0.000 -0.000) 16.139 8.457 ( 0.262 0.000 -0.000) 0.262 8.886 ( -10.751 -0.000 0.000) 10.751 9.502 ( -20.029 -0.000 0.000) 20.029 10.489 ( -4.212 -0.000 0.000) 4.212 10.757 ( -3.792 -0.000 0.000) 3.792 11.095 ( 4.255 0.000 -0.000) 4.255 11.429 ( 12.376 0.000 -0.000) 12.376 11.847 ( 11.471 0.000 -0.000) 11.471 13.063 ( -12.068 -0.000 0.000) 12.068 13.519 ( -7.733 -0.000 0.000) 7.733 13.779 ( 10.833 0.000 -0.000) 10.833 14.300 ( -9.510 -0.000 0.000) 9.510 14.725 ( 3.611 0.000 -0.000) 3.611 15.406 ( 0.505 0.000 -0.000) 0.505 16.081 ( -11.061 -0.000 0.000) 11.061 18.700 ( 8.134 0.000 -0.000) 8.134 19.246 ( 7.423 0.000 -0.000) 7.423 20.432 ( 3.460 0.000 -0.000) 3.460 20.753 ( -3.932 -0.000 0.000) 3.932 21.184 ( -12.821 -0.000 0.000) 12.821 21.221 ( -2.454 -0.000 0.000) 2.454 27.901 ( -0.739 -0.000 0.000) 0.739 28.132 ( 1.190 0.000 -0.000) 1.190 37.430 ( 11.812 0.000 -0.000) 11.812 38.558 ( -2.794 -0.000 0.000) 2.794 39.465 ( 6.482 0.000 -0.000) 6.482 40.720 ( -4.957 -0.000 0.000) 4.957 ======================= Grid point 187 (50/231) ======================= q-point: ( 0.08 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( -0.000 0.000 56.048) 56.048 0.945 ( -0.000 0.000 56.048) 56.048 1.608 ( -0.000 0.000 95.143) 95.143 9.266 ( 0.000 -0.000 -15.842) 15.842 9.266 ( 0.000 -0.000 -15.842) 15.842 9.689 ( -0.000 0.000 6.637) 6.637 9.689 ( -0.000 0.000 6.637) 6.637 12.004 ( -0.000 0.000 4.113) 4.113 12.004 ( -0.000 0.000 4.113) 4.113 12.824 ( 0.000 -0.000 -5.948) 5.948 13.107 ( -0.000 0.000 1.358) 1.358 13.107 ( -0.000 0.000 1.358) 1.358 13.288 ( -0.000 0.000 0.314) 0.314 14.105 ( -0.000 0.000 1.324) 1.324 14.105 ( -0.000 0.000 1.324) 1.324 14.671 ( 0.000 -0.000 -13.109) 13.109 15.128 ( 0.000 -0.000 -0.812) 0.812 15.660 ( 0.000 -0.000 -1.032) 1.032 19.973 ( -0.000 0.000 1.261) 1.261 19.973 ( -0.000 0.000 1.261) 1.261 20.980 ( 0.000 -0.000 -1.797) 1.797 20.980 ( 0.000 -0.000 -1.797) 1.797 21.703 ( -0.000 0.000 11.360) 11.360 25.496 ( 0.000 -0.000 -4.592) 4.592 27.331 ( -0.000 0.000 1.360) 1.360 28.070 ( 0.000 -0.000 -1.221) 1.221 37.267 ( -0.000 0.000 0.304) 0.304 37.267 ( -0.000 0.000 0.304) 0.304 37.463 ( 0.000 -0.000 -0.321) 0.321 37.463 ( 0.000 -0.000 -0.321) 0.321 ======================= Grid point 188 (51/231) ======================= q-point: ( 0.15 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( 43.046 24.853 30.929) 58.543 1.860 ( 27.488 15.870 54.107) 62.730 3.154 ( 77.767 44.899 58.279) 107.052 9.059 ( -0.000 -0.000 -24.603) 24.603 9.425 ( 11.067 6.390 -9.709) 16.049 9.670 ( -2.885 -1.665 3.076) 4.534 9.845 ( 7.440 4.295 4.024) 9.487 11.803 ( -40.940 -23.637 42.438) 63.528 11.917 ( -6.987 -4.034 6.597) 10.422 12.021 ( -4.366 -2.521 3.137) 5.937 12.777 ( -1.086 -0.627 -7.402) 7.507 13.134 ( 1.207 0.697 0.757) 1.586 13.141 ( 1.574 0.908 6.212) 6.472 14.186 ( 3.385 1.954 3.712) 5.390 14.498 ( -7.449 -4.301 -14.585) 16.932 14.648 ( -1.330 -0.768 -0.456) 1.602 15.617 ( -2.978 -1.719 -2.084) 4.021 16.147 ( 45.290 26.148 -60.492) 79.963 19.884 ( -7.190 -4.151 0.666) 8.329 19.968 ( -5.093 -2.941 6.035) 8.427 20.724 ( -18.358 -10.599 10.023) 23.448 20.906 ( -3.550 -2.050 -4.035) 5.752 21.741 ( -3.067 -1.771 13.676) 14.127 23.418 ( -79.061 -45.646 71.811) 116.151 27.384 ( 4.328 2.499 1.035) 5.104 28.053 ( -0.743 -0.429 -1.521) 1.747 37.318 ( 2.498 1.442 3.753) 4.733 37.453 ( 2.649 1.530 -3.821) 4.894 37.692 ( 15.514 8.957 2.383) 18.072 39.983 ( 110.331 63.699 -119.842) 174.907 ======================= Grid point 189 (52/231) ======================= q-point: ( 0.23 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.843 ( 33.881 19.561 44.627) 59.348 2.945 ( 52.165 30.118 17.035) 62.598 5.315 ( 83.663 48.303 40.322) 104.683 8.956 ( 2.561 1.479 -24.351) 24.530 9.581 ( -5.315 -3.068 -3.743) 7.188 9.646 ( 10.033 5.792 -0.653) 11.603 10.057 ( 10.281 5.936 1.153) 11.928 11.401 ( -17.618 -10.172 23.805) 31.314 11.863 ( -7.987 -4.611 -6.563) 11.320 11.865 ( 0.183 0.106 7.142) 7.146 12.687 ( -2.892 -1.669 -7.130) 7.873 13.141 ( -1.366 -0.789 -1.169) 1.963 13.227 ( -1.107 -0.639 14.965) 15.019 14.212 ( -7.137 -4.120 -13.910) 16.168 14.305 ( 3.016 1.741 6.589) 7.453 14.510 ( -10.366 -5.985 4.778) 12.888 15.505 ( -5.329 -3.076 -3.756) 7.209 16.288 ( -2.291 -1.322 -40.046) 40.133 19.670 ( -11.168 -6.448 0.009) 12.896 19.825 ( -8.891 -5.133 12.409) 16.106 20.449 ( -9.253 -5.342 1.527) 10.793 20.782 ( -4.553 -2.629 -5.524) 7.626 21.707 ( -6.639 -3.833 13.281) 15.334 22.620 ( -28.300 -16.339 35.645) 48.357 27.522 ( 6.749 3.897 0.684) 7.823 28.022 ( -1.138 -0.657 -1.540) 2.025 37.448 ( 6.096 3.519 6.980) 9.913 37.529 ( 6.334 3.657 -6.763) 9.961 38.150 ( 21.957 12.677 5.378) 25.918 40.947 ( 36.344 20.983 -77.700) 88.309 ======================= Grid point 190 (53/231) ======================= q-point: ( 0.31 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.894 ( 37.660 21.743 36.804) 56.970 4.233 ( 52.987 30.592 10.645) 62.103 7.361 ( 76.618 44.236 29.350) 93.212 8.908 ( 3.550 2.049 -15.907) 16.426 9.349 ( -11.722 -6.768 -11.589) 17.819 9.848 ( 5.760 3.325 7.342) 9.906 10.329 ( 10.789 6.229 3.720) 13.002 11.111 ( -13.951 -8.055 3.502) 16.486 11.608 ( -7.795 -4.501 -17.718) 19.874 12.051 ( 10.652 6.150 13.966) 18.610 12.580 ( -2.851 -1.646 -7.702) 8.376 13.002 ( -10.954 -6.324 -4.177) 13.320 13.153 ( -15.007 -8.664 20.672) 26.974 14.030 ( -1.698 -0.980 -10.272) 10.458 14.271 ( -12.258 -7.077 7.085) 15.828 14.482 ( 8.054 4.650 9.313) 13.161 15.327 ( -8.212 -4.741 -5.265) 10.846 15.806 ( -20.539 -11.858 -23.165) 33.152 19.395 ( -12.024 -6.942 -1.089) 13.927 19.790 ( 1.094 0.632 7.635) 7.739 20.237 ( -9.802 -5.659 -2.551) 11.603 20.661 ( -2.661 -1.536 -5.395) 6.208 21.585 ( -9.825 -5.672 10.569) 15.505 22.281 ( -16.562 -9.562 18.116) 26.342 27.680 ( 6.494 3.749 0.201) 7.501 27.988 ( -1.043 -0.602 -1.182) 1.688 37.652 ( 8.002 4.620 -9.301) 13.110 37.660 ( 7.930 4.578 9.950) 13.522 38.731 ( 24.877 14.363 8.288) 29.897 41.093 ( 11.463 6.618 -52.887) 54.518 ======================= Grid point 191 (54/231) ======================= q-point: ( 0.38 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.970 ( 39.400 22.748 31.320) 55.234 5.477 ( 51.137 29.524 6.456) 59.400 8.823 ( -19.104 -11.030 -4.229) 22.461 9.055 ( 7.297 4.213 -18.588) 20.408 9.079 ( 59.830 34.543 15.455) 70.793 9.988 ( -0.134 -0.077 12.697) 12.698 10.378 ( -13.658 -7.886 16.345) 22.713 11.019 ( 13.388 7.730 -14.682) 21.320 11.327 ( -6.724 -3.882 -21.995) 23.325 12.431 ( -7.143 -4.124 -12.591) 15.052 12.468 ( 9.883 5.706 10.825) 15.729 12.572 ( -15.608 -9.011 1.014) 18.051 12.853 ( -18.649 -10.767 23.494) 31.870 13.994 ( 1.916 1.106 -6.240) 6.621 14.076 ( -7.407 -4.277 5.489) 10.163 14.721 ( 5.642 3.258 9.890) 11.843 15.059 ( -12.307 -7.106 -5.682) 15.305 15.221 ( -19.844 -11.457 -13.096) 26.392 19.136 ( -8.971 -5.179 -2.643) 10.690 19.921 ( 3.151 1.819 -2.669) 4.513 19.981 ( -7.599 -4.388 4.740) 9.973 20.627 ( 2.182 1.260 -3.493) 4.307 21.383 ( -11.668 -6.737 6.696) 15.045 22.012 ( -14.126 -8.155 8.759) 18.514 27.809 ( 4.593 2.652 -0.307) 5.313 27.964 ( -0.585 -0.338 -0.455) 0.814 37.776 ( 7.534 4.350 -11.204) 14.185 37.904 ( 7.507 4.334 12.463) 15.181 39.359 ( 24.829 14.335 10.771) 30.627 40.958 ( 0.291 0.168 -39.711) 39.713 ======================= Grid point 192 (55/231) ======================= q-point: ( 0.46 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.040 ( 39.325 22.704 27.593) 53.135 6.635 ( 47.362 27.345 2.639) 54.753 8.169 ( -30.121 -17.390 -12.436) 36.937 9.327 ( 19.167 11.066 -6.376) 23.032 9.616 ( -31.310 -18.077 9.507) 37.383 10.088 ( 20.392 11.773 -8.232) 24.945 10.482 ( 11.184 6.457 20.326) 24.081 11.064 ( -5.997 -3.462 -18.268) 19.536 11.378 ( 20.127 11.620 -10.076) 25.331 11.932 ( -19.547 -11.285 0.098) 22.571 12.064 ( -17.820 -10.288 -10.271) 22.997 12.653 ( -9.849 -5.686 16.856) 20.334 13.134 ( 26.745 15.441 20.077) 36.835 13.986 ( -2.352 -1.358 0.638) 2.790 14.026 ( 2.187 1.263 -4.438) 5.106 14.611 ( -15.404 -8.894 -8.561) 19.740 14.791 ( -12.807 -7.394 -5.626) 15.822 14.861 ( -6.361 -3.673 11.046) 13.266 18.994 ( -1.108 -0.640 -3.723) 3.937 19.652 ( -13.078 -7.551 -1.741) 15.202 20.185 ( 10.738 6.200 3.845) 12.982 20.708 ( 4.593 2.652 -1.425) 5.492 21.154 ( -9.259 -5.345 3.092) 11.129 21.719 ( -14.369 -8.296 3.294) 16.916 27.886 ( 2.429 1.403 -0.638) 2.877 27.957 ( -0.104 -0.060 0.464) 0.479 37.860 ( 5.377 3.104 -12.305) 13.783 38.127 ( 5.094 2.941 14.245) 15.411 39.973 ( 22.874 13.206 12.644) 29.283 40.688 ( -6.034 -3.484 -31.762) 32.518 ======================= Grid point 193 (56/231) ======================= q-point: ( 0.54 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.066 ( 36.883 21.294 25.281) 49.527 7.289 ( -29.826 -17.220 -13.844) 37.119 7.719 ( 36.644 21.157 -1.374) 42.336 8.802 ( -41.669 -24.058 6.940) 48.613 9.778 ( 20.379 11.766 -6.656) 24.455 10.310 ( -9.022 -5.209 -22.657) 24.938 10.461 ( 2.160 1.247 10.101) 10.404 10.902 ( 1.045 0.604 -9.218) 9.297 11.571 ( -19.896 -11.487 -8.445) 24.477 11.721 ( 12.475 7.203 7.760) 16.363 11.979 ( 14.681 8.476 2.108) 17.082 12.509 ( -11.677 -6.742 13.133) 18.823 13.777 ( -22.138 -12.782 -19.599) 32.212 13.885 ( 25.844 14.921 9.863) 31.430 13.966 ( 2.774 1.602 4.788) 5.760 14.413 ( 4.592 2.651 4.760) 7.126 14.577 ( -4.184 -2.416 -0.518) 4.859 14.676 ( -14.682 -8.477 10.931) 20.172 19.054 ( 7.970 4.602 -4.052) 10.056 19.360 ( -11.494 -6.636 0.291) 13.276 20.458 ( 11.163 6.445 2.389) 13.110 20.666 ( -8.786 -5.073 -1.057) 10.200 21.135 ( 7.274 4.200 0.850) 8.442 21.401 ( -13.901 -8.026 0.640) 16.064 27.919 ( 1.011 0.584 -0.679) 1.351 27.961 ( -0.081 -0.047 1.289) 1.293 37.879 ( 2.251 1.300 -12.543) 12.809 38.285 ( 1.281 0.740 15.072) 15.144 40.335 ( -10.500 -6.062 -26.251) 28.916 40.542 ( 20.182 11.652 13.876) 27.122 ======================= Grid point 194 (57/231) ======================= q-point: (-0.38 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.369 ( -39.788 -22.972 -12.838) 47.704 7.790 ( -40.827 -23.572 8.663) 47.933 8.015 ( 24.700 14.261 20.538) 35.146 8.572 ( 35.212 20.330 -6.481) 41.172 9.772 ( -19.145 -11.053 -8.066) 23.532 10.006 ( 3.258 1.881 -12.620) 13.169 10.803 ( 20.192 11.658 -5.189) 23.887 11.004 ( -11.095 -6.406 -24.150) 27.338 11.202 ( 10.799 6.235 19.096) 22.806 12.052 ( 10.683 6.168 11.585) 16.923 12.157 ( -26.811 -15.480 7.309) 31.810 12.255 ( 7.520 4.342 -0.560) 8.702 13.079 ( -21.600 -12.471 -23.938) 34.570 13.940 ( 1.659 0.958 -9.034) 9.235 14.368 ( -16.193 -9.349 10.649) 21.518 14.517 ( 12.137 7.007 6.683) 15.526 14.623 ( 10.787 6.228 10.258) 16.136 14.710 ( 15.073 8.702 12.497) 21.427 19.154 ( -6.437 -3.716 1.921) 7.677 19.287 ( 13.643 7.877 -4.194) 16.302 20.407 ( -11.684 -6.746 -0.933) 13.524 20.698 ( 7.939 4.583 1.209) 9.246 21.129 ( -8.665 -5.003 0.343) 10.012 21.361 ( 10.579 6.108 -1.518) 12.310 27.933 ( 0.617 0.356 -0.470) 0.853 27.960 ( -0.999 -0.577 1.730) 2.079 37.823 ( -1.056 -0.610 -11.968) 12.030 38.348 ( -3.166 -1.828 14.855) 15.298 39.916 ( -14.248 -8.226 -21.873) 27.370 41.053 ( 17.603 10.163 14.463) 24.947 ======================= Grid point 195 (58/231) ======================= q-point: (-0.31 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.354 ( -43.087 -24.877 -9.370) 50.628 6.701 ( -52.084 -30.071 6.751) 60.520 8.711 ( 19.292 11.138 16.138) 27.507 9.205 ( 23.848 13.769 -13.872) 30.834 9.494 ( -2.313 -1.335 6.134) 6.690 9.828 ( -17.610 -10.167 -15.669) 25.671 10.391 ( -27.276 -15.748 0.986) 31.511 11.280 ( -27.022 -15.601 -11.025) 33.092 11.304 ( 26.455 15.274 -7.945) 31.564 11.962 ( 27.927 16.124 0.845) 32.259 12.240 ( -3.358 -1.939 8.862) 9.673 12.400 ( 10.284 5.938 -2.462) 12.128 12.632 ( -12.076 -6.972 -7.058) 15.629 13.934 ( 2.244 1.295 -7.971) 8.382 14.093 ( -11.193 -6.462 5.826) 14.177 14.643 ( 1.984 1.145 -1.161) 2.568 14.984 ( 10.233 5.908 10.285) 15.666 15.221 ( 21.253 12.271 20.373) 31.896 19.107 ( 1.212 0.700 2.879) 3.201 19.591 ( 13.882 8.015 -5.386) 16.910 20.167 ( -8.425 -4.864 2.448) 10.032 20.768 ( -1.781 -1.028 1.933) 2.822 21.097 ( 5.226 3.017 0.146) 6.036 21.556 ( 7.822 4.516 -5.916) 10.797 27.925 ( -2.994 -1.729 1.639) 3.826 27.948 ( 0.916 0.529 -0.161) 1.070 37.702 ( -3.799 -2.194 -10.723) 11.586 38.306 ( -7.402 -4.274 13.646) 16.102 39.440 ( -17.415 -10.054 -17.979) 26.974 41.512 ( 15.476 8.935 14.180) 22.812 ======================= Grid point 196 (59/231) ======================= q-point: (-0.23 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.302 ( -45.221 -26.108 -3.867) 52.359 5.503 ( -55.979 -32.320 8.298) 65.170 8.627 ( -71.343 -41.190 -10.833) 83.088 9.043 ( 7.325 4.229 8.043) 11.672 9.475 ( 7.928 4.577 -19.654) 21.681 9.736 ( 11.761 6.790 22.134) 25.968 10.189 ( 1.397 0.807 5.482) 5.714 10.711 ( -11.770 -6.795 -26.661) 29.925 11.891 ( 27.924 16.122 -10.982) 34.063 12.077 ( -11.107 -6.413 0.200) 12.827 12.366 ( -10.407 -6.008 4.892) 12.974 12.643 ( 10.586 6.112 -0.136) 12.225 12.646 ( 25.907 14.957 2.358) 30.007 13.945 ( -2.287 -1.320 -0.279) 2.655 13.959 ( 3.768 2.176 -7.650) 8.801 14.582 ( -6.718 -3.879 1.768) 7.957 15.231 ( 8.676 5.009 3.094) 10.485 15.898 ( 26.313 15.192 24.812) 39.228 19.229 ( 7.484 4.321 2.778) 9.077 19.739 ( 0.509 0.294 -6.171) 6.199 20.161 ( 6.348 3.665 8.049) 10.886 20.758 ( 0.534 0.308 3.842) 3.891 21.252 ( 7.150 4.128 -0.331) 8.263 21.642 ( 4.145 2.393 -11.938) 12.862 27.836 ( -5.523 -3.188 1.133) 6.477 27.974 ( 1.376 0.794 0.055) 1.590 37.539 ( -5.313 -3.067 -9.000) 10.892 38.169 ( -10.542 -6.086 11.603) 16.816 38.924 ( -19.450 -11.230 -14.258) 26.603 41.920 ( 13.627 7.867 12.034) 19.809 ======================= Grid point 197 (60/231) ======================= q-point: (-0.15 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.252 ( -46.388 -26.782 4.620) 53.763 4.238 ( -59.008 -34.068 11.297) 69.067 6.716 ( -88.212 -50.929 -8.754) 102.234 9.258 ( 7.143 4.124 10.680) 13.494 9.446 ( 0.886 0.511 -19.660) 19.686 10.074 ( 3.160 1.824 25.135) 25.398 10.202 ( -5.536 -3.196 -2.051) 6.713 10.475 ( 4.224 2.439 -18.517) 19.148 11.773 ( -7.965 -4.599 -17.814) 20.049 12.196 ( -8.087 -4.669 10.778) 14.261 12.415 ( 18.712 10.803 -1.987) 21.698 12.878 ( 9.917 5.726 -0.669) 11.471 13.075 ( 8.875 5.124 3.429) 10.807 14.022 ( 5.642 3.257 -8.828) 10.971 14.035 ( 11.749 6.783 -4.858) 14.410 14.437 ( -5.347 -3.087 4.104) 7.414 15.420 ( 7.010 4.047 -0.185) 8.097 16.672 ( 28.758 16.603 22.147) 39.915 19.454 ( 10.386 5.996 2.293) 12.210 19.685 ( -1.823 -1.052 2.461) 3.238 20.374 ( 5.185 2.993 5.769) 8.314 20.831 ( 3.264 1.885 4.179) 5.628 21.402 ( 5.767 3.329 0.602) 6.686 21.639 ( 3.597 2.077 -15.416) 15.966 27.690 ( -7.409 -4.278 0.552) 8.573 28.009 ( 1.588 0.917 0.027) 1.834 37.372 ( -5.053 -2.918 -6.999) 9.113 37.967 ( -11.770 -6.795 8.947) 16.271 38.405 ( -19.435 -11.221 -10.587) 24.814 42.259 ( 11.349 6.553 4.380) 13.818 ======================= Grid point 198 (61/231) ======================= q-point: (-0.08 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.250 ( -46.123 -26.629 18.836) 56.491 2.941 ( -60.811 -35.109 17.103) 72.272 4.559 ( -96.007 -55.429 -2.377) 110.884 9.340 ( 0.110 0.064 -20.006) 20.007 9.468 ( 5.043 2.912 11.955) 13.298 10.005 ( -5.355 -3.091 -14.663) 15.913 10.052 ( -15.252 -8.806 15.253) 23.299 10.591 ( 6.921 3.996 10.374) 13.096 11.643 ( 6.404 3.697 -15.956) 17.586 12.109 ( -5.048 -2.915 10.700) 12.185 12.712 ( 9.031 5.214 -2.634) 10.755 13.051 ( 4.285 2.474 0.988) 5.046 13.153 ( -1.184 -0.683 2.494) 2.844 14.082 ( 2.534 1.463 -6.849) 7.448 14.346 ( 14.931 8.620 -3.579) 17.608 14.457 ( 6.330 3.655 0.020) 7.309 15.552 ( 4.885 2.820 -1.092) 5.745 17.370 ( 22.893 13.217 -2.087) 26.517 19.705 ( 9.904 5.718 2.003) 11.610 19.763 ( 4.981 2.876 22.683) 23.400 20.348 ( -8.591 -4.960 -4.495) 10.891 20.928 ( 3.055 1.764 2.838) 4.527 21.524 ( 4.003 2.311 3.243) 5.646 21.727 ( 10.005 5.777 0.379) 11.560 27.518 ( -7.349 -4.243 0.244) 8.490 28.043 ( 1.384 0.799 -0.281) 1.622 37.246 ( -2.686 -1.551 -4.859) 5.764 37.748 ( -10.600 -6.120 5.913) 13.594 37.937 ( -16.555 -9.558 -6.948) 20.340 42.423 ( 4.395 2.537 -24.369) 24.892 ======================= Grid point 201 (62/231) ======================= q-point: ( 0.15 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( -0.000 47.971 38.946) 61.790 2.341 ( -0.000 54.157 44.502) 70.096 3.292 ( -0.000 60.634 71.260) 93.565 8.837 ( 0.000 -6.765 -28.133) 28.935 9.474 ( 0.000 29.052 -17.971) 34.161 9.736 ( -0.000 -1.517 2.759) 3.148 9.821 ( -0.000 0.053 13.538) 13.538 11.812 ( -0.000 -17.631 2.553) 17.815 11.888 ( -0.000 -47.175 24.432) 53.127 12.238 ( -0.000 -7.656 16.364) 18.066 12.714 ( 0.000 -2.918 -9.856) 10.279 13.120 ( -0.000 0.033 1.543) 1.543 13.194 ( -0.000 4.979 7.380) 8.903 14.044 ( 0.000 -4.830 -2.768) 5.567 14.425 ( 0.000 -4.767 -15.448) 16.166 14.583 ( -0.000 -5.552 -0.140) 5.553 15.602 ( 0.000 -3.997 -2.752) 4.853 16.099 ( 0.000 66.571 -42.426) 78.940 19.942 ( -0.000 -6.183 3.030) 6.885 20.025 ( 0.000 6.186 -0.119) 6.188 20.683 ( -0.000 -22.505 2.400) 22.632 20.982 ( 0.000 0.242 -1.309) 1.331 21.828 ( -0.000 -3.863 16.521) 16.967 23.721 ( -0.000 -100.719 56.980) 115.720 27.392 ( 0.000 4.837 1.433) 5.045 28.044 ( 0.000 -0.754 -1.877) 2.022 37.173 ( 0.000 -3.311 -1.703) 3.723 37.533 ( 0.000 9.186 -3.602) 9.867 37.604 ( 0.000 10.716 1.962) 10.894 39.515 ( 0.000 127.162 -87.647) 154.442 ======================= Grid point 202 (63/231) ======================= q-point: ( 0.23 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.923 ( 19.480 45.862 35.022) 60.904 3.073 ( 2.344 50.451 42.461) 65.983 4.903 ( 57.574 65.420 50.324) 100.634 8.675 ( 6.494 -4.381 -29.466) 30.490 9.615 ( -4.856 3.600 -3.032) 6.762 9.751 ( 0.802 24.411 -10.725) 26.675 9.962 ( 6.554 -0.742 10.061) 12.030 11.458 ( -8.060 -31.055 12.779) 34.535 11.750 ( 7.427 -20.869 10.880) 24.679 12.128 ( -15.565 3.967 3.973) 16.547 12.616 ( 0.082 -5.555 -10.847) 12.186 13.126 ( -0.304 -1.346 0.251) 1.403 13.325 ( 1.523 4.552 14.132) 14.924 14.044 ( 8.577 -12.341 -9.486) 17.772 14.302 ( -2.591 0.957 -4.634) 5.394 14.523 ( 2.534 -11.688 1.009) 12.002 15.505 ( -2.928 -5.777 -4.820) 8.074 16.334 ( -10.594 32.149 -32.676) 47.048 19.796 ( -8.444 -6.710 2.790) 11.140 20.059 ( -7.791 6.454 3.430) 10.682 20.417 ( -3.686 -22.165 1.651) 22.530 20.883 ( -8.524 0.547 -2.290) 8.843 21.837 ( -4.145 -6.237 16.541) 18.157 22.938 ( -20.416 -53.938 40.021) 70.199 27.489 ( 3.495 6.372 1.201) 7.366 28.020 ( -0.495 -0.726 -1.956) 2.144 37.259 ( 10.705 -3.121 0.526) 11.163 37.608 ( -0.315 12.623 -3.983) 13.240 37.913 ( 18.627 11.894 2.907) 22.291 40.337 ( 24.877 62.897 -74.461) 100.595 ======================= Grid point 203 (64/231) ======================= q-point: ( 0.31 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.864 ( 20.336 30.894 44.927) 58.193 4.045 ( 27.346 54.830 18.566) 64.023 6.842 ( 64.344 58.530 37.178) 94.595 8.636 ( 10.878 -3.153 -24.850) 27.309 9.447 ( -10.756 -6.342 -0.891) 12.518 9.960 ( -1.809 20.810 -2.894) 21.088 10.157 ( 14.263 2.959 -3.698) 15.029 11.100 ( -7.850 -26.128 6.057) 27.947 11.722 ( -3.600 -8.587 -9.047) 12.983 11.975 ( -0.871 0.668 15.657) 15.696 12.487 ( -0.185 -7.717 -10.839) 13.307 13.056 ( -5.454 -3.273 -2.567) 6.859 13.381 ( -5.506 -8.977 16.574) 19.637 14.021 ( 2.944 5.562 -11.178) 12.828 14.281 ( -1.044 -8.959 7.941) 12.017 14.496 ( 5.168 -1.977 0.957) 5.615 15.344 ( -3.790 -7.219 -8.274) 11.616 16.013 ( -28.795 3.956 -15.952) 33.155 19.606 ( -11.073 -0.381 -0.696) 11.101 19.904 ( -11.644 -2.915 9.203) 15.125 20.221 ( -0.845 -10.385 -3.821) 11.098 20.726 ( -7.594 0.777 -3.921) 8.582 21.743 ( -8.337 -8.264 13.843) 18.150 22.439 ( -11.395 -30.860 21.635) 39.373 27.631 ( 4.780 5.876 0.822) 7.619 27.995 ( -0.731 -0.028 -1.683) 1.835 37.442 ( 11.386 0.059 0.617) 11.403 37.736 ( 2.313 12.940 -1.805) 13.268 38.450 ( 26.118 12.205 5.089) 29.275 40.720 ( 12.253 27.693 -56.184) 63.826 ======================= Grid point 204 (65/231) ======================= q-point: ( 0.38 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.802 ( 28.181 27.766 36.685) 53.953 5.183 ( 34.131 47.928 13.625) 60.396 8.587 ( 54.186 43.892 24.109) 73.783 8.717 ( 15.866 -1.267 -15.930) 22.518 9.087 ( -20.195 -7.989 -4.508) 22.181 10.080 ( 0.700 7.025 4.779) 8.526 10.463 ( 21.564 2.416 -9.608) 23.731 10.709 ( -14.290 -21.899 4.772) 26.581 11.429 ( -11.441 2.151 -20.283) 23.386 12.172 ( 8.560 -12.954 4.654) 16.209 12.393 ( 6.129 -1.019 3.534) 7.148 12.810 ( -16.034 -4.207 -3.909) 17.032 13.203 ( -10.557 -10.996 14.500) 21.038 14.088 ( -6.693 13.850 -3.373) 15.748 14.139 ( -3.467 -8.046 1.926) 8.970 14.693 ( 10.678 2.398 6.817) 12.894 15.127 ( -4.824 -12.183 -12.221) 17.918 15.391 ( -30.922 -6.953 -0.530) 31.698 19.351 ( -17.000 1.480 -1.779) 17.157 19.852 ( 3.754 -2.233 1.169) 4.522 20.078 ( -6.278 -3.990 0.724) 7.474 20.620 ( -2.669 1.330 -3.661) 4.722 21.547 ( -11.442 -9.664 9.474) 17.723 22.109 ( -8.128 -22.371 10.896) 26.177 27.763 ( 4.179 3.916 0.453) 5.744 27.979 ( -0.788 1.132 -1.100) 1.764 37.633 ( 8.570 4.665 -4.124) 10.593 37.922 ( 5.481 9.183 4.665) 11.667 39.076 ( 28.291 11.588 7.121) 31.391 40.748 ( 2.044 11.903 -42.687) 44.362 ======================= Grid point 205 (66/231) ======================= q-point: ( 0.46 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.781 ( 33.805 24.310 29.239) 50.879 6.295 ( 35.325 41.545 9.943) 55.432 8.469 ( -29.600 -14.172 -9.009) 34.032 8.941 ( 20.277 -3.453 -5.330) 21.248 9.759 ( 20.760 18.263 -0.170) 27.650 10.134 ( -15.358 -2.321 8.546) 17.728 10.357 ( 9.209 -9.782 4.405) 14.138 10.802 ( 21.292 -2.213 -5.674) 22.146 11.253 ( 0.078 10.857 -19.269) 22.117 11.954 ( -7.292 -14.977 -5.425) 17.519 12.292 ( -21.275 -6.703 -8.144) 23.746 12.891 ( 15.048 7.953 22.016) 27.828 13.016 ( -7.104 -1.823 11.100) 13.304 13.933 ( -4.194 -10.723 5.783) 12.885 14.163 ( -5.904 15.375 -7.346) 18.033 14.746 ( -7.786 -18.761 -1.276) 20.353 14.759 ( -10.924 -8.536 -3.502) 14.299 15.068 ( -7.324 6.641 6.664) 11.923 19.108 ( -11.232 3.616 -2.343) 12.030 19.780 ( -9.444 -3.244 -6.116) 11.710 20.091 ( 7.583 2.075 6.687) 10.321 20.637 ( 4.302 1.996 -1.938) 5.123 21.282 ( -11.818 -10.129 4.809) 16.291 21.812 ( -8.634 -18.059 4.777) 20.579 27.855 ( 2.873 2.204 0.313) 3.635 27.976 ( -0.879 1.655 -0.411) 1.918 37.768 ( 4.334 7.406 -8.967) 12.411 38.144 ( 6.503 4.821 10.972) 13.635 39.709 ( 27.577 9.651 7.900) 30.266 40.588 ( -4.423 4.145 -32.978) 33.531 ======================= Grid point 206 (67/231) ======================= q-point: ( 0.54 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.757 ( 36.627 20.032 22.466) 47.409 7.289 ( 27.530 29.868 5.463) 40.986 7.722 ( -29.598 -12.190 -8.110) 33.021 9.061 ( -6.491 -26.235 4.695) 27.430 9.640 ( -4.439 7.797 -4.965) 10.254 10.175 ( 11.246 2.132 -9.099) 14.622 10.363 ( -3.732 -16.027 -9.265) 18.885 11.006 ( 1.539 5.494 -3.005) 6.449 11.490 ( 18.910 13.130 -16.050) 28.064 11.789 ( -22.452 -7.219 -7.974) 24.895 11.865 ( 7.659 1.700 13.910) 15.970 12.810 ( -15.528 0.708 14.066) 20.964 13.508 ( 24.154 -0.998 8.469) 25.615 13.862 ( 3.325 -12.369 2.780) 13.107 14.022 ( -14.915 3.411 -0.528) 15.309 14.399 ( -6.904 -19.074 2.410) 20.427 14.604 ( -3.456 13.137 -2.377) 13.790 15.041 ( -10.879 5.599 7.948) 14.590 19.045 ( -1.334 8.888 -3.101) 9.508 19.515 ( -12.948 -3.531 -2.536) 13.659 20.326 ( 11.791 3.397 3.347) 12.719 20.713 ( -0.053 -1.406 -0.723) 1.582 21.064 ( -1.331 -6.382 1.286) 6.645 21.506 ( -10.019 -14.441 1.666) 17.655 27.912 ( 1.199 1.941 -0.019) 2.281 27.975 ( -0.551 0.778 0.658) 1.158 37.827 ( 0.667 6.774 -10.713) 12.693 38.343 ( 3.987 2.271 13.893) 14.631 40.210 ( 9.615 -0.647 -14.690) 17.569 40.409 ( 6.925 7.648 -3.335) 10.843 ======================= Grid point 207 (68/231) ======================= q-point: (-0.38 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.778 ( -39.046 -18.936 -8.818) 44.282 7.675 ( 35.535 13.645 16.240) 41.385 8.199 ( 19.851 16.532 4.430) 26.211 8.359 ( -29.893 -18.601 6.656) 35.832 9.725 ( 1.571 -8.729 -10.713) 13.908 10.071 ( -6.512 2.977 -8.657) 11.234 10.362 ( 20.163 -2.993 -13.266) 24.320 11.081 ( -3.222 17.764 -11.080) 21.183 11.345 ( -12.948 -4.846 3.617) 14.290 11.877 ( 21.239 9.242 -10.661) 25.498 12.173 ( 9.667 0.322 16.213) 18.879 12.588 ( -22.183 -3.218 17.331) 28.334 13.274 ( -31.231 -11.331 -22.684) 40.228 13.684 ( 9.992 -14.102 -3.859) 17.708 14.108 ( 12.259 -24.684 9.680) 29.211 14.513 ( 15.885 10.371 19.729) 27.370 14.708 ( -5.506 15.010 -2.028) 16.116 14.964 ( -8.867 13.303 9.691) 18.695 19.174 ( 3.974 9.752 -4.562) 11.477 19.288 ( -7.105 0.966 0.374) 7.180 20.514 ( -5.023 -5.688 -1.219) 7.685 20.597 ( 5.223 2.291 2.191) 6.110 21.147 ( 7.933 -4.860 -1.417) 9.411 21.237 ( -4.369 -7.099 1.389) 8.451 27.926 ( -0.488 0.299 -0.663) 0.876 27.989 ( -0.036 1.399 1.935) 2.388 37.806 ( -2.509 4.475 -10.500) 11.687 38.469 ( -0.745 0.900 14.482) 14.529 39.932 ( -11.094 -5.740 -23.414) 26.537 40.873 ( 21.454 7.627 10.082) 24.902 ======================= Grid point 208 (69/231) ======================= q-point: (-0.31 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.833 ( -43.287 -20.256 -4.736) 48.026 7.346 ( -48.232 -25.163 6.704) 54.813 8.384 ( 29.507 -0.191 2.606) 29.622 8.907 ( 21.442 17.335 10.023) 29.338 9.572 ( 0.101 -0.150 -4.775) 4.779 9.978 ( -9.890 7.964 -9.874) 16.085 10.522 ( 1.336 -7.900 -21.145) 22.612 10.916 ( 1.897 -0.424 -4.163) 4.595 11.617 ( 21.558 12.054 5.374) 25.277 11.888 ( -45.399 -11.829 3.548) 47.049 12.294 ( 5.786 8.877 0.520) 10.609 12.311 ( 5.306 1.039 1.412) 5.588 12.747 ( -9.894 -0.258 -8.909) 13.316 13.694 ( 9.711 -12.728 -3.454) 16.378 14.147 ( 9.701 -16.116 5.285) 19.539 14.665 ( -4.195 7.081 0.906) 8.280 14.937 ( 6.457 6.759 14.372) 17.145 15.170 ( 8.361 11.438 13.550) 19.605 19.133 ( -1.819 0.224 0.025) 1.833 19.477 ( 9.047 14.933 -3.968) 17.905 20.293 ( -9.496 -3.596 1.482) 10.262 20.748 ( 4.304 -0.979 0.887) 4.502 21.058 ( 0.317 -2.042 1.264) 2.422 21.353 ( 11.833 -4.505 -3.689) 13.188 27.907 ( -0.307 -1.994 -0.074) 2.019 28.007 ( -1.638 2.626 1.574) 3.473 37.716 ( -5.086 1.911 -9.217) 10.699 38.493 ( -6.348 0.344 13.602) 15.015 39.519 ( -14.946 -7.980 -19.134) 25.557 41.347 ( 19.703 5.982 8.469) 22.265 ======================= Grid point 209 (70/231) ======================= q-point: (-0.23 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.852 ( -46.102 -20.282 1.509) 50.388 6.257 ( -55.499 -22.613 8.293) 60.500 8.727 ( 20.759 -10.554 -3.555) 23.558 9.393 ( -47.558 -13.529 -10.127) 50.472 9.406 ( 9.675 15.198 4.889) 18.667 9.804 ( 2.003 13.471 6.934) 15.282 10.219 ( -4.180 -3.926 -0.012) 5.735 10.725 ( -16.868 -13.926 -19.785) 29.494 11.501 ( 13.254 8.918 -12.217) 20.111 12.120 ( 15.816 -1.994 6.850) 17.351 12.197 ( 4.312 -7.543 5.421) 10.241 12.602 ( -5.645 7.381 -3.374) 9.886 12.679 ( 7.501 18.225 -0.556) 19.716 13.744 ( 9.996 -7.639 -1.940) 12.729 14.122 ( -5.946 4.993 -2.371) 8.118 14.716 ( -4.053 5.792 0.418) 7.082 15.106 ( 9.828 -2.992 7.334) 12.622 15.583 ( 23.744 -3.657 20.895) 31.840 19.199 ( 5.706 5.527 1.011) 8.008 19.690 ( 3.248 7.396 -6.507) 10.373 20.220 ( -1.180 6.408 7.814) 10.174 20.760 ( 0.823 -1.857 2.212) 3.003 21.161 ( 7.431 2.420 1.375) 7.935 21.437 ( 9.068 -8.138 -8.416) 14.808 27.868 ( -1.744 -3.423 0.576) 3.885 28.005 ( -2.160 2.927 0.627) 3.692 37.575 ( -6.707 0.037 -7.304) 9.916 38.412 ( -11.654 0.556 11.710) 16.530 39.054 ( -17.724 -9.418 -15.205) 25.181 41.759 ( 17.639 4.540 4.495) 18.761 ======================= Grid point 210 (71/231) ======================= q-point: (-0.15 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.878 ( -47.900 -19.021 10.292) 52.556 5.094 ( -61.215 -19.874 10.494) 65.210 7.878 ( -90.043 -22.574 -3.879) 92.910 8.941 ( 17.404 -9.325 -2.914) 19.959 9.570 ( -2.757 13.958 -7.544) 16.104 10.147 ( 9.586 6.980 19.427) 22.761 10.271 ( -10.701 -3.767 -9.637) 14.886 10.307 ( 7.583 1.132 -4.718) 9.002 11.626 ( 3.246 -8.651 -17.446) 19.741 12.225 ( 8.443 4.999 8.383) 12.905 12.353 ( 1.059 -2.349 -2.380) 3.508 12.692 ( 12.930 5.767 1.663) 14.255 12.982 ( 9.067 7.597 1.467) 11.919 13.867 ( 9.485 -2.291 0.620) 9.777 14.089 ( -5.249 17.909 -8.418) 20.473 14.585 ( -11.277 -0.598 1.935) 11.458 15.320 ( 9.926 3.834 -1.633) 10.765 16.160 ( 40.049 -15.659 20.759) 47.750 19.423 ( 8.787 10.940 1.014) 14.069 19.693 ( -0.454 0.246 -2.120) 2.182 20.400 ( 2.369 8.672 8.595) 12.437 20.800 ( 3.386 -0.543 2.192) 4.070 21.324 ( 7.358 2.062 2.393) 8.007 21.440 ( 8.066 -6.528 -9.605) 14.140 27.775 ( -5.688 -3.197 0.572) 6.550 28.009 ( -0.317 1.847 -0.037) 1.874 37.418 ( -6.986 -0.358 -5.014) 8.606 38.244 ( -15.472 1.277 8.942) 17.916 38.566 ( -19.117 -9.221 -11.219) 24.007 42.076 ( 14.526 2.467 -4.842) 15.509 ======================= Grid point 211 (72/231) ======================= q-point: (-0.08 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.965 ( -48.162 -15.774 22.650) 55.511 3.885 ( -65.441 -17.564 12.675) 68.932 5.999 (-104.255 -14.164 5.680) 105.366 9.078 ( 10.269 -4.595 -10.605) 15.460 9.606 ( -1.408 8.829 -3.898) 9.754 9.993 ( -7.946 -1.369 -13.318) 15.568 10.294 ( -9.101 -7.267 15.613) 19.478 10.555 ( 11.463 5.833 15.274) 19.968 11.500 ( 3.108 4.662 -15.547) 16.526 12.196 ( -4.768 -6.049 3.288) 8.375 12.569 ( 12.276 5.283 -2.339) 13.568 12.978 ( 9.793 4.609 3.219) 11.292 13.128 ( 4.152 -3.315 4.244) 6.800 13.982 ( 5.481 2.276 -1.773) 6.194 14.252 ( 7.387 14.824 -6.148) 17.667 14.445 ( -3.337 -0.158 0.072) 3.341 15.475 ( 5.947 3.015 -3.003) 7.313 16.789 ( 39.681 -16.704 2.885) 43.150 19.605 ( 2.712 3.133 0.644) 4.194 19.824 ( 11.567 5.881 7.442) 14.959 20.402 ( -7.298 -5.516 -1.498) 9.270 20.871 ( 4.727 -1.406 0.275) 4.940 21.477 ( 6.197 0.981 5.122) 8.099 21.603 ( 13.844 7.395 7.608) 17.442 27.627 ( -8.193 -2.085 0.287) 8.459 28.027 ( 0.963 0.703 -0.468) 1.281 37.289 ( -5.593 1.522 -2.454) 6.294 38.007 ( -16.084 -2.324 2.245) 16.405 38.122 ( -19.088 -2.104 -3.683) 19.553 42.192 ( 5.741 -1.469 -27.784) 28.409 ======================= Grid point 215 (73/231) ======================= q-point: ( 0.23 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.434 ( -0.000 46.204 38.434) 60.100 3.933 ( -0.000 58.248 38.623) 69.890 5.349 ( -0.000 75.474 48.975) 89.971 8.410 ( 0.000 -1.324 -32.400) 32.427 9.689 ( -0.000 -4.904 0.318) 4.915 9.797 ( 0.000 10.975 -16.513) 19.828 10.081 ( 0.000 20.533 8.185) 22.104 11.329 ( -0.000 -31.966 13.152) 34.565 11.439 ( -0.000 -21.271 5.816) 22.052 12.334 ( -0.000 1.604 6.644) 6.834 12.480 ( 0.000 -7.617 -12.304) 14.470 13.123 ( -0.000 -4.384 3.729) 5.756 13.451 ( -0.000 6.292 13.763) 15.133 13.735 ( 0.000 -12.560 -15.625) 20.048 14.337 ( 0.000 6.513 -4.463) 7.896 14.351 ( -0.000 -17.029 4.077) 17.510 15.438 ( 0.000 -7.748 -5.362) 9.422 16.629 ( 0.000 29.801 -25.887) 39.475 19.807 ( -0.000 -11.108 4.212) 11.879 20.165 ( 0.000 -4.462 -4.192) 6.122 20.262 ( -0.000 -7.755 2.068) 8.026 20.956 ( 0.000 -1.399 -1.303) 1.912 21.896 ( -0.000 -8.889 17.348) 19.493 22.714 ( -0.000 -60.017 34.884) 69.419 27.540 ( 0.000 8.107 1.281) 8.207 28.003 ( 0.000 -0.942 -2.061) 2.266 37.131 ( 0.000 1.047 -1.903) 2.172 37.709 ( 0.000 13.813 -6.132) 15.113 37.914 ( 0.000 16.693 3.884) 17.139 40.416 ( 0.000 58.091 -59.871) 83.422 ======================= Grid point 216 (74/231) ======================= q-point: ( 0.31 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.199 ( 11.011 40.845 39.947) 58.183 4.622 ( -5.579 60.321 32.276) 68.641 6.759 ( 41.903 68.996 38.545) 89.454 8.296 ( 7.544 0.500 -29.766) 30.711 9.542 ( -7.162 -6.359 -1.180) 9.650 9.853 ( 11.378 -5.259 -16.446) 20.678 10.264 ( -8.802 19.729 1.081) 21.630 11.037 ( -5.048 -18.391 7.645) 20.546 11.424 ( 11.419 -19.207 7.198) 23.476 12.233 ( -12.514 1.622 0.865) 12.648 12.353 ( -0.442 -6.095 -8.037) 10.096 13.088 ( 0.670 -6.669 4.434) 8.036 13.377 ( -6.542 -14.048 2.187) 15.650 13.838 ( 17.935 2.609 -3.948) 18.549 14.231 ( 0.083 -12.532 7.340) 14.523 14.407 ( 1.663 7.521 -2.053) 7.971 15.285 ( -3.879 -8.814 -7.670) 12.312 16.532 ( -23.511 14.171 -14.546) 31.067 19.681 ( -3.189 -8.276 3.252) 9.447 19.948 ( -2.045 -23.461 -1.921) 23.629 20.278 ( -6.632 12.943 -1.212) 14.594 20.848 ( -8.060 -1.790 -1.812) 8.453 21.847 ( -4.931 -11.045 15.396) 19.579 22.308 ( -3.526 -44.520 23.143) 50.300 27.647 ( 1.927 7.900 1.113) 8.208 27.987 ( 0.300 -0.350 -1.878) 1.934 37.250 ( 11.280 1.536 0.036) 11.384 37.819 ( 0.540 14.749 -6.749) 16.229 38.246 ( 15.033 16.901 4.774) 23.118 40.627 ( 3.167 36.080 -48.455) 60.496 ======================= Grid point 217 (75/231) ======================= q-point: ( 0.38 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.007 ( 12.484 34.249 41.662) 55.359 5.405 ( 11.046 58.472 20.205) 62.843 8.318 ( 28.197 19.839 -5.636) 34.935 8.374 ( 31.487 33.621 12.169) 47.643 9.308 ( -12.977 -6.368 -0.633) 14.469 9.877 ( 16.664 -14.221 -29.049) 36.384 10.182 ( -6.234 -3.427 5.044) 8.721 10.890 ( -9.301 -2.581 8.731) 13.015 11.397 ( 0.666 -11.937 -5.471) 13.148 12.083 ( -4.495 0.449 -5.108) 6.819 12.309 ( 4.332 -0.374 4.748) 6.438 13.017 ( -12.727 -1.044 0.375) 12.775 13.148 ( 3.286 -19.358 7.703) 21.092 13.993 ( 6.868 -18.792 -4.367) 20.479 14.307 ( 3.218 16.158 6.501) 17.712 14.526 ( 6.419 2.949 1.808) 7.291 15.048 ( -6.992 -9.923 -9.905) 15.667 16.016 ( -37.569 3.189 -0.611) 37.709 19.553 ( -7.733 -9.276 0.063) 12.076 19.733 ( 3.532 -9.540 -1.968) 10.362 20.237 ( -10.655 9.929 -0.378) 14.568 20.685 ( -6.365 -1.383 -2.804) 7.091 21.682 ( -9.599 -12.170 11.514) 19.309 21.980 ( -2.045 -33.016 12.841) 35.484 27.757 ( 2.163 5.417 0.966) 5.912 27.990 ( 0.467 1.442 -1.497) 2.130 37.497 ( 12.712 3.589 1.812) 13.333 37.948 ( 2.765 12.759 -5.634) 14.219 38.771 ( 23.439 14.313 5.453) 28.000 40.676 ( -1.171 19.827 -38.456) 43.282 ======================= Grid point 218 (76/231) ======================= q-point: ( 0.46 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.792 ( 16.872 30.943 34.290) 49.173 6.335 ( 21.214 49.953 15.743) 56.508 8.511 ( 15.548 -2.302 -12.714) 20.216 8.824 ( -22.924 -10.891 1.483) 25.423 9.608 ( 22.712 24.037 6.232) 33.652 9.848 ( 23.662 -12.415 -24.549) 36.286 10.181 ( 7.526 -11.219 -0.220) 13.511 10.686 ( -11.611 -5.663 8.520) 15.475 11.261 ( -0.831 1.679 -6.635) 6.894 11.968 ( -6.274 3.374 -8.521) 11.107 12.493 ( -3.863 2.083 1.608) 4.674 12.767 ( 3.208 -6.838 7.908) 10.936 13.155 ( -0.635 -1.459 12.975) 13.072 13.819 ( 1.095 -23.279 0.191) 23.305 14.468 ( -8.921 10.199 -3.979) 14.122 14.584 ( 0.648 -4.308 -4.071) 5.962 14.849 ( -2.646 -0.982 3.013) 4.129 15.463 ( -27.997 3.914 5.719) 28.842 19.301 ( -9.009 -6.437 0.178) 11.074 19.792 ( 4.924 3.602 -7.651) 9.786 20.129 ( -8.802 2.797 4.343) 10.206 20.598 ( -0.373 -0.246 -2.717) 2.754 21.411 ( -12.693 -13.322 6.869) 19.641 21.715 ( -1.968 -25.186 6.455) 26.075 27.840 ( 2.198 2.922 1.111) 3.821 28.006 ( -0.430 2.650 -1.166) 2.927 37.737 ( 6.970 8.369 -1.224) 10.959 38.111 ( 6.860 6.873 0.325) 9.716 39.361 ( 26.471 10.668 4.990) 28.973 40.569 ( -5.447 9.884 -29.607) 31.685 ======================= Grid point 219 (77/231) ======================= q-point: ( 0.54 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.581 ( 22.736 25.881 23.834) 41.891 7.253 ( 22.612 38.846 14.341) 47.180 8.112 ( -32.480 -11.311 -7.100) 35.118 8.767 ( 12.756 -14.100 3.299) 19.298 9.710 ( 8.401 -7.747 -13.234) 17.485 9.944 ( -11.095 -17.257 -6.189) 21.429 10.271 ( 13.831 8.600 -12.137) 20.312 10.613 ( 14.873 -11.043 -9.726) 20.923 11.454 ( 7.503 14.176 5.650) 17.005 11.888 ( -2.698 6.674 -1.399) 7.333 12.132 ( -24.821 -0.859 -4.151) 25.181 13.000 ( 6.495 -5.434 4.396) 9.541 13.281 ( 5.634 3.942 17.776) 19.060 13.619 ( 3.706 -24.431 0.564) 24.717 14.234 ( -3.233 -9.191 10.165) 14.080 14.521 ( -21.500 4.573 -4.732) 22.485 14.799 ( -3.532 13.367 -1.155) 13.874 15.264 ( -7.653 4.504 5.067) 10.224 19.172 ( -3.805 3.637 0.175) 5.266 19.721 ( -13.385 5.514 -8.392) 16.733 20.165 ( 9.351 -1.829 5.253) 10.881 20.636 ( 5.503 -0.391 -1.701) 5.773 21.095 ( -10.859 -12.284 2.709) 16.618 21.471 ( -4.060 -19.164 2.987) 19.816 27.910 ( 2.116 2.380 1.284) 3.434 28.006 ( -1.564 1.776 -0.742) 2.480 37.868 ( -0.295 10.939 -6.339) 12.646 38.318 ( 8.918 1.841 7.859) 12.029 39.901 ( 21.850 6.412 -1.677) 22.833 40.396 ( -4.247 4.531 -16.857) 17.965 ======================= Grid point 220 (78/231) ======================= q-point: ( 0.62 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.190 ( -18.923 -4.843 -2.141) 19.650 7.401 ( 7.059 8.826 10.733) 15.586 8.118 ( 19.333 25.655 14.154) 35.104 8.588 ( -13.729 -23.630 5.028) 27.787 9.587 ( -3.727 -14.412 -10.443) 18.184 9.818 ( 16.051 -3.621 -6.962) 17.867 10.257 ( -4.223 10.073 -18.176) 21.205 11.015 ( 31.425 5.515 -10.181) 33.490 11.588 ( 1.316 6.013 -5.689) 8.382 11.638 ( -23.930 1.891 -6.510) 24.871 12.102 ( 9.300 0.862 13.842) 16.698 12.929 ( -10.523 -1.398 8.962) 13.893 13.409 ( 6.340 -12.388 5.168) 14.845 13.447 ( -0.094 -22.098 -2.070) 22.195 13.974 ( -28.741 -11.601 0.268) 30.995 14.475 ( 13.813 11.596 18.608) 25.914 14.926 ( -2.641 17.749 -3.667) 18.315 15.221 ( -5.392 4.872 5.007) 8.825 19.242 ( 1.820 12.675 -1.466) 12.889 19.460 ( -14.336 1.306 -3.624) 14.844 20.367 ( 11.965 -2.330 1.009) 12.231 20.654 ( -4.032 -3.456 0.941) 5.394 20.930 ( 5.408 -6.638 -0.967) 8.616 21.235 ( -5.014 -14.128 1.548) 15.071 27.951 ( -1.486 1.758 -0.624) 2.385 28.003 ( 0.961 1.057 1.668) 2.196 37.884 ( -4.488 8.981 -7.521) 12.544 38.514 ( 5.695 0.641 10.725) 12.160 39.943 ( -8.417 -0.341 -19.956) 21.661 40.600 ( 21.504 4.613 5.532) 22.679 ======================= Grid point 221 (79/231) ======================= q-point: (-0.31 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.384 ( -42.577 -14.525 -0.802) 44.994 7.870 ( -34.224 -21.433 3.567) 40.539 7.928 ( 22.226 3.696 1.288) 22.568 8.838 ( 19.072 17.635 21.289) 33.585 9.423 ( 6.468 -9.641 -9.793) 15.188 10.013 ( 10.178 -1.145 -8.071) 13.040 10.274 ( 3.585 17.523 -22.574) 28.801 11.134 ( -20.387 3.052 -5.159) 21.250 11.473 ( 4.947 4.117 3.229) 7.200 11.925 ( 33.112 12.527 -15.508) 38.650 12.235 ( 2.278 -12.788 15.425) 20.166 12.766 ( -31.240 -0.149 15.200) 34.742 12.898 ( -23.109 -0.220 -17.856) 29.205 13.404 ( 6.834 -11.904 0.803) 13.750 13.699 ( 13.963 -25.336 11.440) 31.108 14.816 ( -0.628 5.016 3.681) 6.253 15.030 ( 2.487 13.027 9.038) 16.049 15.270 ( -0.835 6.572 5.858) 8.843 19.213 ( -8.950 2.202 -3.303) 9.791 19.489 ( 6.691 14.542 -1.334) 16.063 20.408 ( -4.331 -2.759 0.932) 5.219 20.637 ( 5.795 -0.864 1.377) 6.019 21.012 ( 6.610 -4.806 -1.686) 8.344 21.081 ( 3.640 -10.971 0.195) 11.560 27.914 ( -2.191 -0.489 -0.561) 2.314 28.050 ( 0.581 2.013 1.780) 2.749 37.817 ( -7.119 5.886 -6.315) 11.190 38.632 ( 0.105 0.723 10.298) 10.324 39.613 ( -14.859 -2.938 -16.015) 22.043 41.058 ( 22.778 2.895 3.949) 23.298 ======================= Grid point 222 (80/231) ======================= q-point: (-0.23 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.496 ( -45.781 -13.059 5.327) 47.904 6.996 ( -47.290 -16.389 5.924) 50.399 8.259 ( 19.846 -4.517 -3.665) 20.680 9.391 ( 10.650 9.122 7.126) 15.729 9.508 ( 16.106 -1.249 4.434) 16.752 10.047 ( -1.591 5.208 -9.059) 10.569 10.298 ( -12.547 9.880 -14.319) 21.449 10.793 ( -15.941 -1.131 -11.256) 19.548 11.534 ( -3.102 -8.669 -3.077) 9.708 12.005 ( -17.195 5.314 9.131) 20.181 12.185 ( -2.541 -12.328 7.774) 14.794 12.558 ( 16.911 18.451 -13.353) 28.368 12.816 ( -4.145 7.126 2.339) 8.569 13.462 ( 11.976 -7.535 -0.243) 14.152 13.924 ( 27.050 -12.223 6.028) 30.289 14.776 ( -3.620 2.508 1.360) 4.609 15.148 ( -8.771 1.129 7.679) 11.712 15.384 ( 8.001 -2.511 9.533) 12.696 19.155 ( 1.769 2.621 -1.637) 3.561 19.709 ( 3.110 10.780 -3.538) 11.764 20.370 ( -2.474 7.743 5.737) 9.949 20.705 ( 3.626 -2.949 0.186) 4.678 21.068 ( 5.995 -0.843 2.822) 6.679 21.109 ( 11.002 -12.387 -6.075) 17.646 27.870 ( -1.665 -1.463 -0.018) 2.217 28.070 ( -1.428 1.769 0.961) 2.468 37.695 ( -8.753 3.561 -4.115) 10.307 38.640 ( -5.806 0.321 7.317) 9.347 39.218 ( -18.534 -2.980 -10.560) 21.538 41.465 ( 20.770 1.215 -0.680) 20.817 ======================= Grid point 223 (81/231) ======================= q-point: (-0.15 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.627 ( -47.828 -9.524 13.036) 50.479 6.003 ( -56.136 -11.537 7.232) 57.763 8.540 ( 18.673 -2.385 -2.317) 18.967 9.137 ( -58.987 -1.954 -5.066) 59.237 9.632 ( -6.641 -0.888 -1.299) 6.825 10.036 ( 12.717 1.782 2.960) 13.178 10.206 ( 6.465 1.304 4.534) 8.003 10.449 ( -13.812 9.388 -14.635) 22.205 11.459 ( 2.658 0.253 -3.566) 4.455 12.109 ( 11.447 -3.728 0.188) 12.040 12.180 ( 6.278 -2.536 8.617) 10.959 12.693 ( -0.434 5.626 -4.227) 7.050 12.932 ( 4.495 5.854 -0.318) 7.388 13.654 ( 13.392 -1.565 2.321) 13.681 14.306 ( 6.018 19.138 -7.475) 21.409 14.810 ( -9.063 2.563 -0.996) 9.471 15.018 ( 17.199 -14.620 6.775) 23.568 15.540 ( 14.671 -16.796 12.472) 25.552 19.303 ( 11.633 3.838 -0.677) 12.268 19.746 ( -3.864 4.217 -1.977) 6.051 20.498 ( 1.045 5.274 3.923) 6.656 20.731 ( 2.917 -2.628 -1.120) 4.083 21.162 ( 12.456 -4.898 -2.118) 13.551 21.221 ( 8.120 1.103 3.299) 8.834 27.822 ( -2.654 -1.485 0.261) 3.052 28.051 ( -2.332 0.930 0.052) 2.511 37.554 ( -9.210 3.027 -1.500) 9.810 38.503 ( -10.903 -4.192 -0.641) 11.699 38.831 ( -21.174 2.988 -1.106) 21.412 41.770 ( 17.065 -0.906 -9.272) 19.442 ======================= Grid point 224 (82/231) ======================= q-point: (-0.08 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.831 ( -48.262 -3.305 22.368) 53.296 4.927 ( -62.926 -7.186 7.636) 63.794 7.735 ( -93.601 5.826 8.681) 94.183 8.813 ( 13.401 2.044 -5.117) 14.490 9.567 ( 3.553 -3.074 -13.560) 14.351 10.087 ( -6.362 2.252 -8.451) 10.816 10.358 ( 2.923 -8.925 16.135) 18.670 10.507 ( 8.509 11.867 6.028) 15.798 11.497 ( 0.281 11.264 -3.422) 11.775 12.148 ( 1.149 -9.518 -8.215) 12.626 12.379 ( 12.646 3.703 0.580) 13.190 12.854 ( 12.350 2.345 8.305) 15.066 13.022 ( 4.816 -1.789 -0.458) 5.158 13.880 ( 10.623 0.572 5.735) 12.086 14.390 ( -10.379 14.825 -7.377) 19.542 14.529 ( -8.869 -5.373 0.536) 10.384 15.362 ( 10.692 5.666 -8.034) 14.525 15.847 ( 43.319 -27.380 8.343) 51.921 19.564 ( 13.339 0.499 -0.592) 13.361 19.705 ( -2.032 1.186 2.069) 3.133 20.409 ( -4.097 -11.401 -6.800) 13.893 20.766 ( 4.349 -1.694 -2.121) 5.127 21.380 ( 8.890 -0.662 5.097) 10.269 21.501 ( 15.828 12.428 12.384) 23.629 27.741 ( -5.892 -0.413 0.144) 5.908 28.024 ( -0.755 -0.158 -0.534) 0.938 37.439 ( -8.108 4.860 1.180) 9.526 38.179 ( -14.713 -8.889 -7.110) 18.602 38.558 ( -21.624 11.179 6.561) 25.212 41.890 ( 9.119 -3.579 -25.157) 26.997 ======================= Grid point 229 (83/231) ======================= q-point: ( 0.31 0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.742 ( -0.000 42.209 38.048) 56.826 5.492 ( -0.000 56.728 35.199) 66.761 7.286 ( -0.000 70.679 32.471) 77.781 8.086 ( 0.000 5.415 -30.002) 30.487 9.496 ( 0.000 -17.967 -21.343) 27.898 9.547 ( -0.000 -8.238 -2.904) 8.734 10.606 ( 0.000 21.021 1.088) 21.049 10.874 ( -0.000 -21.738 1.504) 21.790 11.237 ( -0.000 -10.232 13.544) 16.975 12.194 ( 0.000 -3.934 -13.026) 13.607 12.470 ( -0.000 4.760 7.764) 9.107 12.885 ( -0.000 -22.599 -0.017) 22.599 13.482 ( 0.000 4.328 -9.106) 10.082 13.508 ( -0.000 -20.312 10.107) 22.688 14.223 ( -0.000 1.657 10.688) 10.816 14.481 ( 0.000 10.309 -2.742) 10.668 15.193 ( 0.000 -8.562 -7.748) 11.547 16.787 ( 0.000 9.399 -13.836) 16.727 19.614 ( -0.000 -12.685 4.342) 13.408 19.705 ( -0.000 -22.442 -4.948) 22.981 20.455 ( 0.000 12.314 -1.827) 12.449 20.898 ( 0.000 -2.488 -1.914) 3.140 21.855 ( -0.000 -13.360 14.649) 19.826 22.007 ( -0.000 -42.852 19.982) 47.282 27.725 ( 0.000 8.876 1.059) 8.939 27.965 ( 0.000 -0.743 -1.732) 1.885 37.160 ( 0.000 3.447 -1.453) 3.740 37.938 ( 0.000 15.869 -5.964) 16.953 38.331 ( 0.000 19.650 5.179) 20.321 40.692 ( 0.000 29.038 -40.437) 49.783 ======================= Grid point 230 (84/231) ======================= q-point: ( 0.38 0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.424 ( 6.938 38.081 38.095) 54.309 6.140 ( -8.014 56.832 29.772) 64.656 8.013 ( 10.620 7.588 -24.306) 27.589 8.431 ( 25.317 54.197 24.214) 64.533 9.222 ( 7.348 -19.965 -21.404) 30.178 9.432 ( 0.208 -11.308 -8.524) 14.162 10.370 ( -19.813 -7.936 0.505) 21.349 10.965 ( 4.958 -0.032 -0.655) 5.001 11.231 ( 3.163 -11.179 9.764) 15.176 12.123 ( -0.346 4.924 -11.921) 12.902 12.368 ( -9.763 -1.709 4.478) 10.876 12.874 ( 12.192 -12.320 4.741) 17.969 13.199 ( -8.991 -11.837 7.182) 16.508 13.608 ( 8.756 -12.610 -3.190) 15.680 14.390 ( 4.833 8.427 12.651) 15.950 14.564 ( 0.347 9.545 -3.782) 10.273 15.029 ( -5.055 -5.063 -8.985) 11.486 16.567 ( -23.184 1.163 -6.670) 24.153 19.449 ( -0.931 -20.757 -3.025) 20.997 19.559 ( 4.771 -8.518 0.259) 9.767 20.512 ( -5.858 10.978 -1.672) 12.555 20.780 ( -8.064 -2.358 -1.979) 8.632 21.715 ( -0.102 -31.516 12.418) 33.875 21.751 ( -4.813 -17.072 12.489) 21.693 27.808 ( -0.521 6.563 0.919) 6.647 27.972 ( 2.026 0.989 -1.401) 2.654 37.302 ( 12.103 3.192 0.063) 12.517 38.047 ( -1.412 15.515 -6.076) 16.722 38.663 ( 11.821 18.297 6.134) 22.631 40.708 ( -2.293 18.954 -33.171) 38.274 ======================= Grid point 231 (85/231) ======================= q-point: ( 0.46 0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.124 ( 8.030 33.233 36.876) 50.286 6.762 ( 0.914 53.555 21.405) 57.681 8.167 ( 14.796 2.775 -14.260) 20.735 8.987 ( 5.008 -13.630 -8.397) 16.775 9.200 ( 2.661 -14.157 -21.432) 25.823 9.508 ( 17.388 15.598 7.128) 24.422 10.065 ( -3.217 2.447 -0.063) 4.042 10.834 ( -9.714 -12.619 1.770) 16.023 11.225 ( 1.718 -3.498 1.240) 4.090 12.124 ( -4.684 13.843 -10.360) 17.913 12.386 ( 12.245 -3.465 6.232) 14.170 12.800 ( -8.780 -12.786 4.990) 16.293 13.217 ( 5.716 5.015 14.242) 16.145 13.505 ( 1.994 -21.201 -2.031) 21.391 14.450 ( -5.089 -10.314 -0.116) 11.502 14.737 ( 4.557 17.060 -0.043) 17.658 14.899 ( -3.206 5.473 -3.827) 7.408 16.045 ( -31.872 -1.408 0.526) 31.907 19.246 ( 0.554 -15.587 -0.733) 15.614 19.628 ( 9.913 -2.536 -3.208) 10.723 20.440 ( -13.729 9.986 -1.323) 17.028 20.618 ( -5.503 -1.657 -2.340) 6.205 21.464 ( -2.709 -27.503 8.317) 28.861 21.542 ( -6.695 -14.359 7.262) 17.428 27.853 ( 0.292 2.788 1.071) 3.001 28.023 ( 1.316 3.394 -1.206) 3.835 37.598 ( 16.413 3.450 2.528) 16.961 38.132 ( -1.006 13.057 -6.541) 14.638 39.128 ( 18.315 14.376 6.540) 24.184 40.618 ( -5.771 10.795 -26.144) 28.868 ======================= Grid point 232 (86/231) ======================= q-point: ( 0.54 0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.762 ( 8.125 30.117 29.256) 42.766 7.456 ( 10.187 42.014 17.768) 46.740 8.323 ( 4.778 -5.665 -7.383) 10.461 8.631 ( -19.759 -12.905 4.268) 23.983 9.209 ( 23.338 -8.470 -24.766) 35.067 9.608 ( 15.654 -19.794 -14.125) 28.920 10.175 ( -5.012 7.714 -2.654) 9.575 10.530 ( -9.080 -9.812 -4.381) 14.068 11.400 ( 14.169 5.708 8.613) 17.537 12.086 ( -9.746 13.965 -9.048) 19.284 12.507 ( -17.750 -4.708 4.676) 18.950 12.687 ( 20.955 -6.246 4.227) 22.272 13.250 ( -1.598 -21.889 3.514) 22.227 13.483 ( 1.044 4.500 12.388) 13.222 14.214 ( -2.915 -7.591 1.438) 8.257 14.873 ( -7.401 4.236 3.118) 9.080 14.958 ( -0.688 16.702 -4.335) 17.269 15.555 ( -22.437 0.228 1.538) 22.491 19.174 ( 3.214 -5.732 1.970) 6.860 19.779 ( 9.988 2.031 -8.041) 12.982 20.240 ( -16.802 4.678 2.186) 17.577 20.554 ( 0.988 -0.632 -2.935) 3.161 21.164 ( -8.887 -18.807 6.005) 21.650 21.342 ( -2.768 -15.783 2.785) 16.264 27.901 ( 2.046 1.607 1.521) 3.014 28.050 ( -1.239 2.941 -1.231) 3.421 37.910 ( 9.883 7.400 2.473) 12.592 38.212 ( 3.933 6.161 -4.102) 8.381 39.623 ( 20.397 10.233 4.764) 23.312 40.447 ( -7.683 4.797 -18.806) 20.874 ======================= Grid point 233 (87/231) ======================= q-point: ( 0.62 0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.305 ( 6.830 23.099 15.228) 28.497 7.772 ( -28.210 -4.518 3.597) 28.795 8.189 ( 7.851 19.756 12.187) 24.504 8.463 ( 4.451 -16.478 3.767) 17.479 9.240 ( 8.009 -21.503 -13.250) 26.497 9.712 ( 7.283 6.427 -11.340) 14.931 10.301 ( 29.777 3.854 -11.373) 32.107 10.320 ( -2.872 0.750 -13.152) 13.483 11.675 ( 2.925 0.332 5.454) 6.198 11.978 ( -10.273 7.166 -8.286) 15.018 12.179 ( -17.503 0.206 7.713) 19.128 12.937 ( 17.031 -14.309 0.432) 22.248 13.057 ( -0.301 -18.547 10.112) 21.127 13.395 ( -9.442 -5.022 0.777) 10.722 14.386 ( 2.733 7.623 10.294) 13.098 14.581 ( -20.627 1.187 7.121) 21.854 15.103 ( -0.485 16.366 -3.809) 16.810 15.337 ( -5.535 0.221 -0.151) 5.542 19.264 ( 6.320 4.244 2.405) 7.983 19.766 ( -15.051 8.445 -11.007) 20.470 20.140 ( 7.253 -5.877 5.816) 10.998 20.586 ( 4.902 -1.798 -2.743) 5.898 20.902 ( -6.876 -9.654 3.619) 12.393 21.155 ( -2.754 -14.229 0.686) 14.509 27.969 ( 2.683 1.582 1.583) 3.493 28.027 ( -2.888 1.369 -0.947) 3.333 38.040 ( -4.598 10.993 -2.881) 12.259 38.388 ( 12.626 -0.961 3.110) 13.038 39.979 ( 2.365 7.654 -6.145) 10.097 40.342 ( 8.826 0.170 -3.974) 9.681 ======================= Grid point 234 (88/231) ======================= q-point: (-0.31 0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.990 ( -40.167 -8.016 2.199) 41.018 7.758 ( 6.947 11.369 5.531) 14.426 8.133 ( -15.193 -15.561 1.769) 21.820 8.747 ( 19.589 1.202 14.595) 24.458 9.121 ( 7.125 -7.594 -7.052) 12.577 9.817 ( 5.761 4.719 -6.405) 9.822 10.329 ( 1.894 21.226 -19.308) 28.756 11.043 ( 45.799 9.035 -10.429) 47.833 11.577 ( -8.711 -3.586 0.368) 9.427 11.691 ( -19.754 6.596 -1.756) 20.900 12.110 ( 3.044 -11.155 7.359) 13.706 12.969 ( 3.232 -15.816 14.726) 21.851 13.019 ( 4.712 -4.830 -8.339) 10.727 13.243 ( -1.362 -6.584 -0.284) 6.729 13.863 ( -40.540 -5.278 7.711) 41.603 14.822 ( 8.438 4.764 7.581) 12.303 15.183 ( -2.613 10.773 0.240) 11.088 15.332 ( 1.440 2.141 1.700) 3.090 19.461 ( -13.042 7.265 -4.903) 15.713 19.485 ( 3.321 7.015 0.819) 7.804 20.295 ( 11.279 -4.314 1.767) 12.204 20.617 ( 1.783 -1.797 0.632) 2.609 20.803 ( 1.499 -4.689 -1.961) 5.299 20.995 ( -0.798 -10.234 1.062) 10.320 27.965 ( -3.807 0.732 -0.693) 3.938 28.044 ( 2.654 0.723 1.442) 3.106 37.996 ( -8.476 7.657 -2.769) 11.753 38.588 ( 8.810 -1.623 3.293) 9.544 39.813 ( -15.525 3.769 -7.865) 17.807 40.683 ( 23.609 0.218 0.720) 23.621 ======================= Grid point 235 (89/231) ======================= q-point: (-0.23 0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.215 ( -44.204 -5.812 7.818) 45.264 7.594 ( -33.481 -9.523 3.546) 34.989 7.973 ( 10.702 1.902 1.256) 10.942 9.032 ( 20.862 -13.131 -15.036) 28.875 9.363 ( 14.198 7.077 20.785) 26.147 9.936 ( 8.170 2.949 -7.495) 11.473 10.511 ( -0.599 29.278 -20.847) 35.946 11.160 ( -23.742 2.786 -1.378) 23.944 11.424 ( -1.211 -9.013 0.170) 9.096 12.053 ( 8.605 -10.980 2.908) 14.251 12.098 ( 31.971 11.552 -3.260) 34.150 12.783 ( -32.423 6.789 -6.494) 33.756 12.953 ( -3.183 -0.982 7.573) 8.273 13.196 ( 9.045 -8.984 -2.482) 12.988 13.436 ( 4.453 -15.397 16.726) 23.166 14.879 ( -3.071 0.325 -1.029) 3.255 15.293 ( 3.479 1.623 5.187) 6.453 15.337 ( -4.696 -1.336 2.146) 5.333 19.231 ( -9.547 2.764 -2.491) 10.247 19.718 ( 6.606 8.206 0.187) 10.536 20.441 ( 6.167 0.603 2.742) 6.776 20.646 ( -0.812 3.280 0.731) 3.458 20.765 ( 8.756 -12.139 -5.544) 15.961 20.988 ( 4.788 -1.672 2.498) 5.653 27.904 ( -3.206 0.002 -0.112) 3.208 28.088 ( 1.002 0.120 0.654) 1.202 37.888 ( -9.873 4.943 -0.608) 11.058 38.667 ( 2.025 -3.615 -1.145) 4.299 39.528 ( -18.970 5.199 -0.762) 19.684 41.075 ( 22.768 -1.131 -3.701) 23.095 ======================= Grid point 236 (90/231) ======================= q-point: (-0.15 0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.463 ( -46.176 -0.928 14.204) 48.320 6.855 ( -47.221 -3.761 5.031) 47.637 8.247 ( 16.385 4.134 3.001) 17.163 9.128 ( 15.956 -10.932 -18.915) 27.053 9.791 ( 16.337 0.203 15.490) 22.514 10.085 ( 6.553 6.545 -1.460) 9.376 10.397 ( -36.965 4.527 -2.130) 37.302 10.764 ( -19.408 19.368 -21.812) 35.036 11.368 ( 5.775 -6.252 0.684) 8.538 12.044 ( 7.289 -10.798 8.354) 15.476 12.200 ( -19.276 2.753 10.773) 22.253 12.670 ( 3.762 8.128 -11.022) 14.202 12.947 ( -0.519 0.047 2.081) 2.145 13.423 ( 15.824 4.045 0.047) 16.333 13.802 ( 44.643 -7.326 7.522) 45.861 14.801 ( -4.956 -1.340 1.661) 5.396 15.119 ( -14.880 -8.022 -1.004) 16.935 15.349 ( 2.796 -6.295 2.735) 7.411 19.186 ( 2.765 1.485 -0.884) 3.260 19.838 ( -0.369 4.482 1.497) 4.739 20.446 ( 0.587 -12.134 -4.694) 13.024 20.666 ( 1.668 0.666 -1.171) 2.144 20.929 ( 14.522 5.854 1.348) 15.716 21.118 ( 8.078 1.896 4.434) 9.408 27.857 ( -2.418 0.111 0.281) 2.437 28.084 ( -1.142 -0.895 -0.227) 1.468 37.762 ( -10.141 4.194 1.962) 11.148 38.557 ( -5.738 -7.344 -7.148) 11.745 39.283 ( -20.117 10.240 6.846) 23.589 41.380 ( 19.195 -2.872 -10.972) 22.295 ======================= Grid point 237 (91/231) ======================= q-point: (-0.08 0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.786 ( -46.602 6.070 21.172) 51.544 5.970 ( -57.106 1.352 5.287) 57.366 8.603 ( 14.279 7.919 1.755) 16.422 9.123 ( -9.618 1.010 -11.091) 14.715 9.473 ( -50.102 0.066 -0.266) 50.102 10.078 ( 8.362 1.499 1.344) 8.601 10.221 ( 5.621 -11.061 8.816) 15.220 10.657 ( -6.274 21.475 -9.698) 24.385 11.548 ( 12.003 9.331 -0.146) 15.204 12.022 ( -6.053 -6.736 1.748) 9.224 12.214 ( 11.164 0.386 5.335) 12.379 12.703 ( 5.751 -2.738 -1.537) 6.552 12.951 ( 1.718 -2.771 1.002) 3.411 13.712 ( 13.265 1.936 6.015) 14.693 14.622 ( 21.852 4.516 -8.586) 23.909 14.643 ( -11.285 -8.105 2.928) 14.199 14.818 ( 14.630 -5.277 1.561) 15.631 15.320 ( 3.994 -10.593 -0.998) 11.365 19.307 ( 10.789 -3.734 -0.289) 11.420 19.839 ( -5.379 4.330 3.282) 7.646 20.245 ( -0.053 -17.015 -9.171) 19.330 20.688 ( 1.578 -0.031 -2.461) 2.923 21.218 ( 11.618 -0.859 3.568) 12.183 21.428 ( 15.354 12.910 9.864) 22.354 27.819 ( -3.077 0.930 0.180) 3.220 28.038 ( -1.936 -1.731 -0.702) 2.690 37.659 ( -9.125 5.691 4.209) 11.548 38.276 ( -11.434 -8.342 -8.721) 16.625 39.103 ( -21.054 14.261 9.805) 27.255 41.529 ( 12.495 -4.690 -22.185) 25.890 ======================= Grid point 243 (92/231) ======================= q-point: ( 0.38 0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.949 ( -0.000 37.167 36.011) 51.751 6.945 ( -0.000 50.533 31.799) 59.705 7.861 ( 0.000 9.080 -25.490) 27.059 8.762 ( 0.000 -25.232 -24.415) 35.110 8.871 ( 0.000 49.044 18.892) 52.557 9.284 ( 0.000 -11.715 -6.838) 13.564 10.562 ( 0.000 -5.751 -3.559) 6.763 10.813 ( -0.000 -3.711 1.795) 4.122 11.155 ( -0.000 -10.767 8.545) 13.745 12.050 ( 0.000 -8.560 -12.377) 15.049 12.518 ( 0.000 1.506 -3.205) 3.541 12.719 ( -0.000 9.210 10.591) 14.036 13.037 ( -0.000 -31.630 9.783) 33.109 13.573 ( -0.000 5.505 2.383) 5.998 14.498 ( -0.000 9.171 10.022) 13.584 14.598 ( 0.000 1.846 -3.729) 4.161 15.013 ( 0.000 3.615 -9.031) 9.728 16.706 ( 0.000 -4.735 -8.338) 9.589 19.221 ( -0.000 -18.838 -7.402) 20.240 19.420 ( -0.000 -10.871 3.531) 11.430 20.625 ( 0.000 4.195 0.573) 4.234 20.824 ( 0.000 -1.991 -2.857) 3.483 21.486 ( -0.000 -24.865 9.352) 26.565 21.704 ( -0.000 -15.604 10.577) 18.851 27.902 ( 0.000 7.730 0.692) 7.761 27.936 ( 0.000 -0.536 -1.135) 1.255 37.221 ( 0.000 3.752 -0.965) 3.874 38.194 ( 0.000 14.580 -2.886) 14.862 38.784 ( 0.000 19.212 5.617) 20.016 40.725 ( 0.000 14.073 -27.882) 31.232 ======================= Grid point 244 (93/231) ======================= q-point: ( 0.46 0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.541 ( 4.740 32.864 34.141) 47.625 7.495 ( -7.782 44.671 26.132) 52.335 7.918 ( 10.018 9.110 -17.617) 22.220 8.465 ( 8.045 -18.799 -22.768) 30.602 9.067 ( 0.609 -14.306 -9.510) 17.190 9.493 ( 6.464 15.535 10.104) 19.626 10.325 ( -15.069 12.203 -0.377) 19.394 10.772 ( -0.397 -14.867 -2.404) 15.065 11.164 ( 2.751 -4.136 3.842) 6.280 11.912 ( 12.747 -17.589 -9.896) 23.870 12.509 ( -9.287 17.666 -1.372) 20.005 12.718 ( 0.530 -26.854 9.243) 28.405 13.122 ( 13.804 10.167 12.625) 21.291 13.549 ( -9.242 1.256 3.921) 10.117 14.476 ( -7.020 -6.195 -1.643) 9.505 14.726 ( 8.017 5.537 4.563) 10.759 15.024 ( -2.237 13.921 -8.843) 16.643 16.428 ( -18.057 -8.064 -5.262) 20.464 19.033 ( 3.168 -15.472 -4.649) 16.463 19.408 ( 7.527 -7.421 0.684) 10.592 20.604 ( -3.668 -2.133 0.823) 4.322 20.757 ( -5.228 2.697 -2.457) 6.376 21.289 ( -3.847 -17.521 4.747) 18.556 21.564 ( -4.738 -14.836 8.111) 17.560 27.894 ( -1.908 1.306 0.184) 2.319 28.018 ( 2.885 4.601 -0.508) 5.454 37.365 ( 12.496 2.919 -0.003) 12.832 38.288 ( -3.237 12.992 -2.178) 13.565 39.080 ( 9.297 16.032 5.887) 19.445 40.668 ( -3.795 9.124 -22.020) 24.136 ======================= Grid point 245 (94/231) ======================= q-point: ( 0.54 0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.118 ( 5.667 27.955 29.571) 41.086 7.899 ( -0.054 25.201 15.837) 29.764 8.115 ( 5.475 8.271 -0.729) 9.946 8.482 ( 22.412 -2.982 -22.253) 31.724 8.864 ( -1.393 -12.410 -8.406) 15.054 9.333 ( -15.158 -15.017 -3.284) 21.589 10.366 ( -7.523 11.764 -3.063) 14.296 10.547 ( -7.125 -10.452 -4.172) 13.319 11.231 ( 11.151 0.297 2.979) 11.546 12.065 ( 21.303 -9.621 -7.449) 24.533 12.452 ( -3.450 -10.914 5.438) 12.673 12.588 ( -3.188 -0.805 4.620) 5.671 13.327 ( -14.805 0.540 4.021) 15.350 13.575 ( 8.049 12.783 13.540) 20.286 14.233 ( -7.855 -5.996 -2.516) 10.197 14.888 ( 4.989 -2.169 4.010) 6.759 15.118 ( -0.453 18.017 -8.743) 20.031 15.955 ( -24.158 -5.999 -2.730) 25.041 19.000 ( 8.368 -8.632 0.419) 12.030 19.519 ( 12.299 -4.432 -2.834) 13.377 20.519 ( -3.761 -0.123 -1.539) 4.066 20.643 ( -12.558 5.860 -1.693) 13.961 21.063 ( -4.087 -18.081 4.035) 18.971 21.352 ( -7.937 -11.611 4.545) 14.781 27.894 ( 0.608 0.606 0.822) 1.189 28.085 ( 0.389 3.549 -0.935) 3.691 37.674 ( 19.151 1.873 1.304) 19.286 38.321 ( -5.059 10.692 -2.402) 12.070 39.457 ( 14.745 10.812 5.537) 19.104 40.535 ( -7.546 5.495 -15.620) 18.197 ======================= Grid point 246 (95/231) ======================= q-point: ( 0.62 0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.593 ( 2.464 23.869 18.918) 30.557 8.073 ( 5.405 -6.343 -1.088) 8.404 8.270 ( -9.318 6.111 9.372) 14.560 8.400 ( -10.936 -7.990 -2.071) 13.702 8.943 ( 0.070 -5.269 -2.575) 5.865 9.187 ( 38.117 3.499 -13.417) 40.561 10.172 ( -11.667 -4.895 -2.304) 12.861 10.385 ( -3.897 10.869 -12.987) 17.378 11.497 ( 14.220 -4.612 4.227) 15.536 12.182 ( -3.199 4.581 -9.538) 11.054 12.363 ( 10.555 -22.912 7.954) 26.451 12.531 ( -6.597 -2.371 5.481) 8.898 13.112 ( -10.515 0.519 4.987) 11.649 13.576 ( -14.653 -2.603 -0.408) 14.888 14.355 ( 13.478 9.981 8.591) 18.844 14.872 ( -6.365 -5.647 2.426) 8.848 15.233 ( -0.408 14.429 -5.844) 15.573 15.511 ( -18.405 -2.602 -2.740) 18.789 19.137 ( 11.418 -1.689 3.469) 12.052 19.694 ( 13.400 -0.986 -6.291) 14.836 20.358 ( -20.591 4.969 1.230) 21.218 20.519 ( -0.657 1.035 -3.710) 3.908 20.868 ( -1.060 -15.805 5.443) 16.749 21.138 ( -7.450 -7.449 0.501) 10.547 27.934 ( 2.734 0.202 1.129) 2.965 28.089 ( -2.382 2.183 -1.035) 3.393 38.034 ( 18.535 1.683 1.790) 18.697 38.301 ( -5.740 6.898 -2.019) 9.198 39.850 ( 17.844 6.396 3.547) 19.285 40.352 ( -10.152 3.002 -9.022) 13.909 ======================= Grid point 247 (96/231) ======================= q-point: (-0.31 0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.609 ( -32.829 0.194 4.491) 33.135 7.940 ( -9.557 6.343 8.450) 14.247 8.125 ( 2.474 -4.731 -5.393) 7.589 8.335 ( 13.070 -18.656 -6.538) 23.699 9.025 ( 6.976 3.483 12.717) 14.917 9.811 ( 4.161 10.215 -7.816) 13.518 10.150 ( 35.932 -0.977 -0.744) 35.953 10.514 ( 6.582 27.515 -14.229) 31.668 11.594 ( 4.529 -14.262 6.599) 16.354 11.992 ( -15.209 3.801 -10.207) 18.706 12.254 ( -17.071 -0.347 9.807) 19.691 12.519 ( 16.835 -18.447 3.269) 25.187 13.049 ( -0.710 -1.309 2.767) 3.143 13.300 ( -10.993 -1.836 -3.234) 11.605 14.503 ( -29.380 -1.808 4.258) 29.742 14.698 ( 11.051 -2.445 1.447) 11.411 15.316 ( 0.244 5.722 -0.584) 5.757 15.324 ( -3.031 3.305 -0.964) 4.587 19.369 ( 12.597 1.704 3.497) 13.184 19.780 ( -8.176 6.527 -11.556) 15.588 20.125 ( -1.696 -3.669 9.540) 10.360 20.518 ( 2.148 -0.275 -4.852) 5.314 20.797 ( 1.765 -6.023 4.148) 7.523 20.955 ( -6.278 -4.474 -1.351) 7.826 27.996 ( 3.597 -0.349 0.866) 3.716 28.042 ( -4.121 1.122 -0.677) 4.324 38.212 ( -8.385 6.730 0.981) 10.797 38.358 ( 15.149 -2.705 -1.393) 15.452 40.109 ( -12.573 9.091 0.197) 15.517 40.278 ( 20.123 -3.279 -2.286) 20.517 ======================= Grid point 248 (97/231) ======================= q-point: (-0.23 0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.975 ( -41.318 0.327 9.163) 42.323 7.874 ( 1.959 -7.823 0.074) 8.065 7.987 ( -14.077 0.999 1.560) 14.199 8.447 ( 19.440 -9.627 -16.206) 27.078 9.307 ( 10.613 3.141 18.485) 21.545 9.808 ( 3.523 3.224 -8.422) 9.681 10.692 ( 5.375 26.794 -7.264) 28.277 11.123 ( 36.344 8.377 -7.018) 37.951 11.485 ( -7.530 -6.675 5.504) 11.469 11.720 ( -2.893 -4.894 -3.259) 6.553 12.045 ( -10.456 2.007 7.897) 13.256 12.665 ( 15.618 -13.455 -1.251) 20.653 13.045 ( -1.973 3.103 -1.130) 3.846 13.144 ( -2.915 -1.806 -3.068) 4.601 13.893 ( -39.544 -2.558 11.793) 41.344 14.781 ( 7.889 -8.843 -7.046) 13.787 15.312 ( -3.842 -0.491 1.606) 4.193 15.373 ( 1.688 0.327 2.236) 2.820 19.498 ( -18.603 3.660 -3.805) 19.338 19.613 ( 11.820 -0.457 3.073) 12.222 20.282 ( 10.879 -0.502 4.628) 11.833 20.529 ( 4.346 -2.511 -6.861) 8.500 20.776 ( -5.277 4.068 1.359) 6.800 20.894 ( 4.537 -2.103 1.073) 5.115 27.974 ( -4.337 0.645 -0.020) 4.384 28.049 ( 2.924 -1.242 0.137) 3.180 38.109 ( -9.767 3.424 2.764) 10.713 38.517 ( 8.221 -4.297 -4.905) 10.493 39.927 ( -17.207 8.545 5.585) 20.007 40.631 ( 23.428 -2.652 -5.406) 24.189 ======================= Grid point 249 (98/231) ======================= q-point: (-0.15 0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.339 ( -43.288 5.677 14.361) 45.960 7.577 ( -32.584 3.715 2.504) 32.890 8.031 ( 16.079 -2.945 3.552) 16.728 8.582 ( 18.523 -8.381 -18.223) 27.302 9.613 ( 11.855 -0.250 12.942) 17.553 9.949 ( 11.698 5.317 -6.663) 14.475 10.863 ( -9.570 17.671 -6.487) 21.117 11.171 ( -13.633 -4.655 -5.949) 15.585 11.300 ( -8.311 6.963 1.719) 10.978 11.843 ( 6.123 -9.560 0.461) 11.362 12.301 ( 19.915 6.280 -0.108) 20.882 12.734 ( 13.720 -19.069 0.457) 23.496 12.979 ( -15.919 13.484 -3.232) 21.111 13.178 ( 9.114 9.920 -1.377) 13.541 13.457 ( -8.866 -4.727 21.461) 23.697 14.772 ( 6.502 -7.742 -8.284) 13.071 15.169 ( -8.315 -9.368 0.391) 12.532 15.347 ( -3.288 -4.692 0.552) 5.755 19.257 ( -9.919 1.348 -0.639) 10.031 19.779 ( 9.233 -7.001 3.630) 12.143 20.334 ( -3.913 -3.388 -5.346) 7.441 20.607 ( 8.108 -0.082 -0.004) 8.108 20.835 ( 3.950 10.466 -0.979) 11.229 21.019 ( 8.880 2.155 3.895) 9.933 27.914 ( -3.425 0.745 0.538) 3.547 28.066 ( 1.086 -2.239 -0.664) 2.576 37.991 ( -9.745 2.674 5.100) 11.319 38.490 ( -0.097 -6.991 -8.737) 11.190 39.772 ( -17.917 12.036 10.624) 24.057 40.938 ( 20.935 -4.001 -11.344) 24.145 ======================= Grid point 250 (99/231) ======================= q-point: (-0.08 0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.773 ( -43.845 12.303 19.886) 49.691 6.953 ( -48.003 8.356 3.565) 48.856 8.365 ( 22.961 -5.505 -1.472) 23.657 8.759 ( 16.688 2.272 -10.530) 19.863 9.843 ( 12.775 -7.100 6.461) 15.980 10.127 ( 3.899 1.778 -3.355) 5.443 10.536 ( -40.492 8.918 1.069) 41.476 10.930 ( -7.770 11.152 -9.806) 16.760 11.387 ( 6.635 12.179 -3.099) 14.211 11.887 ( 10.152 -12.502 3.151) 16.411 12.270 ( -5.454 -7.336 0.418) 9.151 12.716 ( -6.532 -3.499 6.823) 10.072 12.901 ( -3.176 2.260 3.041) 4.945 13.559 ( 11.519 4.817 5.840) 13.784 13.860 ( 41.499 6.961 4.807) 42.352 14.760 ( 0.487 -4.097 -1.818) 4.508 14.849 ( -10.701 -12.774 -6.911) 18.040 15.207 ( -3.527 -8.732 -1.820) 9.591 19.174 ( 0.002 -2.523 -0.106) 2.526 19.833 ( 7.546 -13.656 2.755) 15.843 20.160 ( -9.433 1.726 -5.724) 11.169 20.687 ( 0.168 2.750 -1.043) 2.945 21.027 ( 10.325 0.583 0.648) 10.361 21.319 ( 15.313 8.966 5.790) 18.665 27.878 ( -2.456 1.346 0.547) 2.854 28.036 ( -0.849 -2.843 -1.004) 3.132 37.895 ( -8.776 4.081 6.541) 11.681 38.302 ( -6.495 -7.520 -9.265) 13.585 39.658 ( -19.048 14.894 12.450) 27.197 41.122 ( 15.442 -5.353 -19.567) 25.495 ======================= Grid point 257 (100/231) ======================= q-point: ( 0.46 0.46 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.988 ( -0.000 28.146 29.986) 41.127 7.824 ( 0.000 11.807 -16.605) 20.375 7.870 ( -0.000 -4.915 -0.913) 4.999 8.385 ( 0.000 25.961 10.393) 27.964 8.829 ( 0.000 -17.527 -11.887) 21.178 9.645 ( -0.000 9.335 7.972) 12.276 10.576 ( -0.000 -13.789 0.552) 13.800 10.697 ( 0.000 22.137 -3.228) 22.371 11.103 ( -0.000 -2.841 2.391) 3.713 11.469 ( 0.000 -27.605 -14.786) 31.315 12.451 ( -0.000 -31.915 11.183) 33.817 12.812 ( 0.000 20.497 -2.235) 20.618 13.204 ( -0.000 19.307 12.594) 23.052 13.673 ( -0.000 -1.146 5.621) 5.737 14.486 ( 0.000 -5.185 -3.248) 6.118 14.708 ( -0.000 2.860 3.302) 4.369 15.134 ( 0.000 14.705 -8.477) 16.973 16.439 ( 0.000 -11.920 -7.431) 14.047 18.823 ( 0.000 -12.737 -5.681) 13.947 19.278 ( -0.000 -6.759 2.589) 7.237 20.597 ( -0.000 -9.003 4.644) 10.130 20.767 ( 0.000 0.089 -3.386) 3.387 21.272 ( -0.000 -3.191 0.529) 3.234 21.495 ( -0.000 -14.508 6.616) 15.945 27.918 ( 0.000 -0.356 -0.551) 0.656 28.037 ( 0.000 5.209 0.059) 5.210 37.280 ( 0.000 2.809 -0.223) 2.818 38.433 ( 0.000 9.794 1.630) 9.928 39.181 ( 0.000 14.375 3.476) 14.790 40.674 ( 0.000 7.274 -16.363) 17.907 ======================= Grid point 258 (101/231) ======================= q-point: ( 0.54 0.46 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.407 ( 4.980 17.882 20.330) 27.529 7.781 ( 5.497 -10.196 -5.840) 12.973 8.014 ( 15.492 13.491 -9.439) 22.608 8.615 ( 1.004 -11.579 -5.846) 13.010 8.664 ( -9.643 22.387 12.959) 27.606 9.568 ( -16.937 -5.166 2.704) 17.913 10.508 ( 0.034 -4.198 2.562) 4.918 10.658 ( -15.122 10.246 -8.428) 20.117 11.093 ( 3.375 -2.523 -3.071) 5.214 11.465 ( 26.155 -11.846 -6.950) 29.541 12.246 ( 3.554 -27.268 12.310) 30.129 12.871 ( -10.627 16.333 -2.500) 19.646 13.582 ( -5.560 3.410 5.464) 8.508 13.608 ( 8.389 10.941 9.548) 16.771 14.332 ( -9.742 -3.813 -2.233) 10.698 14.771 ( 5.132 -3.334 -0.672) 6.157 15.232 ( 0.130 14.125 -7.553) 16.018 16.171 ( -12.538 -9.129 -6.868) 16.962 18.766 ( 7.728 -7.188 -1.411) 10.648 19.295 ( 6.956 -4.543 0.856) 8.353 20.524 ( -0.434 -6.436 2.465) 6.905 20.748 ( -1.113 -0.638 -1.768) 2.184 21.153 ( -11.555 -0.149 -0.958) 11.596 21.366 ( -3.665 -11.545 4.532) 12.933 27.902 ( -0.753 -0.032 0.058) 0.756 28.097 ( 1.416 3.261 -0.599) 3.605 37.413 ( 12.155 1.739 0.325) 12.283 38.495 ( -3.800 7.140 2.746) 8.542 39.381 ( 7.742 8.617 1.338) 11.661 40.631 ( -4.558 6.581 -9.239) 12.225 ======================= Grid point 259 (102/231) ======================= q-point: ( 0.62 0.46 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.705 ( 11.232 -2.066 -1.631) 11.536 7.785 ( 7.014 -3.983 -2.718) 8.511 8.448 ( 1.511 9.189 6.137) 11.153 8.580 ( 24.446 0.894 -4.047) 24.794 8.672 ( -14.759 4.956 10.584) 18.826 9.148 ( -21.083 -3.233 2.503) 21.476 10.332 ( -12.899 -4.673 -4.773) 14.526 10.560 ( -5.751 17.861 -4.130) 19.213 11.231 ( 12.057 -3.153 0.036) 12.462 11.752 ( 22.415 -11.454 -4.096) 25.503 12.204 ( 7.526 -12.854 10.209) 18.058 12.770 ( -13.444 7.412 -2.006) 15.482 13.374 ( -13.798 -2.466 3.649) 14.484 13.815 ( -11.051 0.697 0.450) 11.082 14.237 ( 8.236 1.792 0.788) 8.465 14.809 ( 4.490 -3.890 -0.806) 5.996 15.327 ( 0.440 10.814 -5.444) 12.115 15.799 ( -18.495 -3.043 -5.701) 19.592 18.912 ( 12.918 -2.455 2.909) 13.467 19.429 ( 12.169 -1.386 -1.383) 12.326 20.502 ( 0.895 0.534 -1.439) 1.776 20.683 ( -4.717 -1.433 0.019) 4.930 20.884 ( -17.359 -2.514 0.967) 17.566 21.202 ( -6.297 -6.542 1.593) 9.219 27.904 ( 1.025 -0.255 0.474) 1.157 28.128 ( -0.327 1.706 -0.947) 1.979 37.702 ( 18.970 0.302 0.072) 18.973 38.483 ( -6.225 4.761 3.144) 8.444 39.617 ( 13.690 1.461 -1.268) 13.826 40.551 ( -9.102 7.308 -1.515) 11.771 ======================= Grid point 260 (103/231) ======================= q-point: (-0.31 -0.54 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.662 ( 11.633 -25.584 -19.024) 33.938 7.942 ( 6.607 3.776 -0.360) 7.618 8.238 ( -19.023 -6.129 -2.566) 20.150 8.392 ( -23.142 4.824 9.227) 25.376 9.050 ( 2.484 3.163 15.322) 15.841 9.351 ( 44.018 13.237 5.364) 46.277 10.046 ( -12.581 -0.831 -6.326) 14.107 10.718 ( -0.886 23.893 2.009) 23.994 11.350 ( 9.032 -9.164 1.234) 12.926 11.983 ( 17.007 -5.943 -5.806) 18.928 12.276 ( -1.537 1.939 2.399) 3.446 12.552 ( -12.401 -3.098 4.552) 13.569 13.134 ( -11.225 -3.584 1.880) 11.932 13.512 ( -16.598 -0.453 -4.435) 17.186 14.390 ( 13.037 -12.414 -7.089) 19.347 14.811 ( -5.861 -0.291 1.919) 6.174 15.388 ( -1.384 6.311 -2.436) 6.905 15.467 ( -13.366 0.973 -1.751) 13.515 19.145 ( 13.912 -2.311 3.722) 14.586 19.660 ( 13.774 4.056 -3.564) 14.795 20.458 ( -23.407 1.559 3.411) 23.706 20.523 ( -1.705 5.596 -5.032) 7.716 20.682 ( 2.750 -8.246 3.851) 9.507 21.054 ( -6.837 -0.726 -0.852) 6.928 27.935 ( 2.790 -0.902 0.337) 2.952 28.109 ( -2.612 0.737 -0.700) 2.803 38.025 ( 18.698 -1.782 -1.930) 18.882 38.418 ( -7.739 2.556 4.221) 9.178 39.869 ( 18.986 -4.071 -4.016) 19.829 40.453 ( -12.784 9.086 5.245) 16.538 ======================= Grid point 261 (104/231) ======================= q-point: (-0.23 -0.54 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.475 ( 12.992 -29.294 -16.389) 35.993 7.715 ( -32.832 2.723 6.776) 33.634 8.132 ( 5.725 3.588 -4.745) 8.256 8.179 ( -5.015 -0.900 -3.164) 5.998 9.304 ( 6.902 7.857 18.429) 21.189 9.828 ( -8.027 3.162 -8.491) 12.105 10.324 ( 46.817 10.055 10.403) 49.002 10.954 ( 4.326 9.641 8.577) 13.610 11.417 ( 4.323 0.051 -0.853) 4.407 11.927 ( -17.851 2.735 -9.179) 20.259 12.268 ( 6.124 -7.791 -2.692) 10.269 12.442 ( -8.889 9.112 7.575) 14.813 13.002 ( 1.431 -4.659 0.299) 4.883 13.251 ( -10.375 1.565 -6.142) 12.158 14.379 ( 10.737 -17.741 -12.373) 24.148 14.530 ( -24.894 -1.076 3.374) 25.144 15.351 ( -0.834 -1.771 0.338) 1.986 15.390 ( -3.493 -0.500 1.665) 3.901 19.362 ( 13.357 -5.996 2.727) 14.893 19.808 ( -8.359 7.280 -8.125) 13.744 20.187 ( -1.913 -2.960 11.292) 11.829 20.507 ( -2.984 6.239 -5.466) 8.816 20.751 ( 6.915 -1.402 1.736) 7.266 20.952 ( -6.023 4.809 -1.393) 7.832 27.976 ( 3.351 -1.817 -0.269) 3.822 28.053 ( -3.964 0.342 0.008) 3.979 38.234 ( 8.395 -5.462 -1.656) 10.151 38.337 ( -3.976 1.618 1.999) 4.735 40.139 ( 19.857 -6.008 -3.670) 21.068 40.364 ( -12.210 10.841 7.290) 17.882 ======================= Grid point 262 (105/231) ======================= q-point: (-0.15 0.46 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.203 ( -37.997 9.329 13.341) 41.338 7.445 ( 23.433 -23.686 -14.225) 36.228 8.119 ( -11.762 9.259 2.355) 15.153 8.207 ( 11.429 -4.918 -8.815) 15.248 9.585 ( 4.095 8.696 13.576) 16.634 9.777 ( 5.532 3.506 -8.681) 10.875 10.959 ( 8.976 -7.063 16.972) 20.457 11.205 ( 4.480 4.904 -10.993) 12.844 11.505 ( 9.836 0.228 9.022) 13.349 11.674 ( -5.419 11.689 -9.485) 15.999 12.177 ( -3.249 -6.007 13.750) 15.352 12.436 ( -2.286 3.079 -16.254) 16.701 13.104 ( 9.544 4.907 1.579) 10.847 13.158 ( -1.418 8.942 -4.587) 10.150 14.054 ( -32.953 3.084 16.409) 36.942 14.349 ( 15.336 -19.151 -17.781) 30.301 15.265 ( -7.454 -6.735 2.988) 10.481 15.304 ( -1.196 -8.016 -1.444) 8.232 19.495 ( 10.359 -11.869 1.644) 15.839 19.523 ( -18.090 0.887 -1.263) 18.156 20.375 ( 9.716 2.153 5.761) 11.498 20.479 ( -2.768 5.706 -6.211) 8.876 20.897 ( 8.790 2.377 2.936) 9.567 20.941 ( -2.807 9.627 -2.327) 10.295 27.989 ( -3.771 0.238 0.777) 3.857 28.003 ( 2.387 -2.511 -0.971) 3.598 38.186 ( -6.863 -2.078 8.198) 10.891 38.336 ( 3.819 -4.915 -9.354) 11.235 40.241 ( -13.265 10.404 14.504) 22.238 40.466 ( 19.860 -3.724 -11.720) 23.358 ======================= Grid point 263 (106/231) ======================= q-point: (-0.08 0.46 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.743 ( -39.833 15.732 18.400) 46.613 7.598 ( 18.020 -13.328 -13.321) 26.073 7.878 ( -21.628 6.680 0.078) 22.637 8.448 ( 24.157 -2.538 0.542) 24.296 9.748 ( -0.737 5.464 7.098) 8.987 9.968 ( 14.867 5.274 -7.713) 17.560 10.960 ( -13.541 -2.884 -16.035) 21.185 11.017 ( -2.021 -4.662 12.753) 13.728 11.587 ( -5.681 7.755 7.689) 12.310 11.707 ( 0.219 0.446 -6.472) 6.491 12.196 ( -8.489 -5.495 -17.794) 20.466 12.442 ( 20.959 -13.958 15.302) 29.466 13.314 ( -1.855 22.024 -0.457) 22.107 13.447 ( 17.273 16.483 -0.245) 23.877 13.727 ( -17.439 5.757 23.645) 29.938 14.359 ( 18.705 -17.697 -17.540) 31.156 15.001 ( -15.417 -9.401 1.358) 18.108 15.152 ( -2.257 -13.753 -1.612) 14.030 19.261 ( -11.474 -0.696 0.093) 11.496 19.524 ( 9.016 -16.073 0.075) 18.429 20.381 ( -9.866 8.704 -1.146) 13.206 20.615 ( 10.475 -1.328 0.658) 10.580 20.987 ( -1.684 9.010 -2.018) 9.385 21.151 ( 14.312 4.393 3.104) 15.290 27.940 ( -2.958 0.733 0.956) 3.194 27.999 ( 0.963 -2.936 -1.139) 3.293 38.101 ( -7.396 0.561 8.169) 11.034 38.243 ( -0.934 -6.775 -9.077) 11.365 40.185 ( -16.605 14.158 14.866) 26.404 40.674 ( 18.117 -6.096 -17.188) 25.707 ======================= Grid point 271 (107/231) ======================= q-point: ( 0.54 0.54 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.479 ( 0.000 -3.230 -2.030) 3.815 7.654 ( -0.000 -1.819 0.063) 1.820 7.987 ( 0.000 11.477 -4.047) 12.170 8.514 ( -0.000 0.141 10.075) 10.076 8.989 ( -0.000 5.485 6.238) 8.306 9.728 ( -0.000 -2.256 3.054) 3.797 10.511 ( -0.000 0.948 2.092) 2.297 10.810 ( 0.000 -12.035 -8.544) 14.759 11.050 ( 0.000 -1.817 -3.634) 4.063 11.119 ( 0.000 21.299 -4.149) 21.699 12.010 ( -0.000 -25.955 13.307) 29.168 13.110 ( 0.000 10.922 -4.148) 11.684 13.636 ( -0.000 6.611 3.866) 7.659 13.644 ( -0.000 -5.933 3.628) 6.954 14.398 ( 0.000 -1.028 -0.629) 1.205 14.682 ( 0.000 -2.035 -3.225) 3.813 15.314 ( 0.000 10.352 -5.988) 11.959 16.153 ( 0.000 -5.187 -9.139) 10.509 18.640 ( -0.000 -1.938 0.873) 2.125 19.206 ( -0.000 -3.102 1.529) 3.458 20.460 ( -0.000 -7.637 3.080) 8.235 20.760 ( 0.000 2.561 -2.440) 3.537 21.277 ( 0.000 2.203 -1.185) 2.501 21.305 ( -0.000 -9.129 2.489) 9.462 27.910 ( 0.000 -0.015 -0.104) 0.105 28.104 ( 0.000 1.862 -0.728) 1.999 37.324 ( -0.000 1.166 0.961) 1.511 38.603 ( -0.000 2.696 6.027) 6.602 39.371 ( 0.000 3.651 -3.663) 5.171 40.714 ( 0.000 8.092 -1.548) 8.239 ======================= Grid point 272 (108/231) ======================= q-point: (-0.38 -0.46 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.341 ( 5.309 -21.224 -18.148) 28.426 7.717 ( 2.797 5.083 3.248) 6.649 8.223 ( 18.286 8.321 2.962) 20.308 8.684 ( -2.629 11.551 18.954) 22.351 8.863 ( -7.284 -13.418 0.081) 15.267 9.515 ( -19.961 -1.505 1.632) 20.084 10.391 ( -3.164 -6.524 -9.879) 12.254 10.872 ( -4.988 19.698 11.289) 23.245 11.045 ( 5.544 -1.201 -5.097) 7.626 11.390 ( 11.630 8.811 -3.385) 14.978 11.951 ( 10.635 -15.442 11.105) 21.792 13.029 ( -11.311 1.832 -4.134) 12.182 13.538 ( -7.935 -4.081 2.007) 9.146 13.725 ( 10.476 -13.145 -6.376) 17.978 14.297 ( -10.347 1.502 -0.365) 10.461 14.713 ( 4.660 2.454 -1.327) 5.431 15.373 ( 0.759 5.905 -3.990) 7.166 15.996 ( -10.050 2.530 -9.818) 14.275 18.740 ( 7.914 2.733 4.552) 9.530 19.250 ( 7.088 -0.627 0.472) 7.131 20.438 ( 2.897 -3.372 0.643) 4.492 20.745 ( -3.634 2.038 -1.020) 4.290 21.168 ( -11.182 1.812 -1.401) 11.415 21.234 ( -3.791 -4.428 1.065) 5.926 27.902 ( -0.672 -0.036 0.144) 0.688 28.123 ( 1.211 0.273 -1.051) 1.627 37.439 ( 11.305 0.009 1.144) 11.363 38.619 ( -3.450 -0.398 7.050) 7.859 39.408 ( 7.147 -2.820 -6.384) 9.989 40.769 ( -5.001 9.361 5.426) 11.920 ======================= Grid point 273 (109/231) ======================= q-point: (-0.31 -0.46 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.079 ( 8.724 -30.589 -24.117) 39.918 7.850 ( 5.098 5.174 -0.566) 7.286 8.320 ( -10.138 -23.179 -9.458) 27.009 8.828 ( 9.794 4.013 16.521) 19.621 8.947 ( 6.670 15.618 15.335) 22.881 9.236 ( -9.943 8.423 9.672) 16.229 10.220 ( -9.317 3.923 -10.397) 14.501 10.959 ( -4.394 -2.116 16.610) 17.312 11.145 ( 9.429 1.649 -3.711) 10.267 11.711 ( 12.497 18.980 -5.901) 23.478 12.156 ( 15.392 -2.903 6.796) 17.074 12.771 ( -14.196 -5.053 -2.119) 15.217 13.320 ( -13.129 -4.144 0.722) 13.786 13.606 ( 1.479 -18.165 -11.932) 21.784 14.138 ( -6.564 -0.232 -4.774) 8.119 14.819 ( 3.905 0.982 0.092) 4.028 15.410 ( 1.329 0.553 -1.196) 1.872 15.752 ( -17.200 5.790 -8.239) 19.931 18.948 ( 9.555 1.273 4.596) 10.679 19.457 ( 13.625 5.124 0.339) 14.560 20.500 ( 5.753 0.969 -1.719) 6.081 20.673 ( -5.993 1.532 -0.252) 6.191 20.898 ( -20.840 0.841 1.822) 20.937 21.144 ( -4.316 1.015 -1.767) 4.773 27.897 ( 0.586 -0.732 0.070) 0.940 28.129 ( 0.058 -0.527 -0.858) 1.008 37.688 ( 16.949 -1.556 -0.300) 17.023 38.566 ( -5.475 -2.520 7.304) 9.470 39.497 ( 13.894 -7.430 -6.785) 17.155 40.784 ( -9.502 9.864 10.295) 17.134 ======================= Grid point 274 (110/231) ======================= q-point: (-0.23 -0.46 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.796 ( 13.201 -34.606 -24.140) 44.211 7.809 ( 2.638 -25.522 -8.980) 27.184 8.104 ( 2.936 8.926 -5.253) 10.765 8.554 ( -29.387 5.186 10.127) 31.513 9.429 ( 3.780 12.601 18.463) 22.671 9.768 ( 39.009 13.602 19.479) 45.675 10.033 ( -12.369 9.664 -10.771) 19.037 10.931 ( 2.873 -16.344 16.378) 23.316 11.322 ( 9.565 1.065 -3.049) 10.095 12.054 ( 4.113 22.981 -6.648) 24.274 12.319 ( -11.188 1.156 -6.813) 13.150 12.561 ( 7.820 -0.568 9.146) 12.047 13.062 ( -12.557 -2.363 2.515) 13.023 13.357 ( -4.728 -10.003 -12.627) 16.789 13.994 ( -1.325 -5.683 -13.684) 14.876 14.814 ( -5.614 -1.073 0.826) 5.775 15.386 ( -2.793 -8.386 1.417) 8.952 15.469 ( -12.024 2.491 -4.504) 13.079 19.129 ( 9.394 -1.832 2.413) 9.870 19.765 ( 12.660 7.858 -1.408) 14.967 20.443 ( -18.948 -6.410 4.667) 20.541 20.618 ( 1.088 -1.591 2.180) 2.910 20.686 ( -3.458 14.283 -3.878) 15.199 21.085 ( -4.626 5.459 -2.560) 7.600 27.908 ( 2.082 -1.672 -0.403) 2.701 28.104 ( -1.851 -0.741 -0.127) 1.997 37.938 ( 15.161 -4.043 -2.959) 15.967 38.471 ( -6.335 -3.894 7.226) 10.369 39.675 ( 20.280 -8.374 -6.380) 22.849 40.757 ( -12.592 10.076 13.064) 20.755 ======================= Grid point 275 (111/231) ======================= q-point: (-0.15 -0.46 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.642 ( 23.583 -32.038 -20.711) 44.850 7.641 ( 11.725 -22.650 -4.941) 25.979 8.063 ( -23.195 8.753 1.097) 24.815 8.372 ( -2.911 13.817 5.032) 14.990 9.704 ( 2.787 11.815 7.202) 14.114 9.858 ( -10.292 9.252 -0.607) 13.852 10.670 ( 33.543 8.645 13.720) 37.258 10.955 ( 10.232 -17.135 17.632) 26.631 11.404 ( 5.857 -4.506 -8.345) 11.147 11.922 ( -17.847 1.929 -7.361) 19.402 12.245 ( -4.053 4.575 5.665) 8.333 12.789 ( -20.455 18.765 -4.797) 28.169 12.938 ( 14.884 -0.158 1.346) 14.946 13.211 ( 2.045 4.923 -5.633) 7.756 13.830 ( 4.400 -11.114 -21.725) 24.797 14.622 ( -19.110 2.640 8.424) 21.051 15.186 ( -2.823 -14.076 -0.649) 14.371 15.346 ( -4.732 -5.636 0.584) 7.382 19.244 ( 7.056 -6.139 0.706) 9.379 19.849 ( -14.598 3.246 -4.474) 15.609 20.216 ( 4.739 -5.617 8.284) 11.074 20.619 ( -2.517 5.893 -0.944) 6.477 20.824 ( 3.553 8.977 -0.054) 9.654 21.083 ( -2.668 10.883 -3.438) 11.721 27.926 ( 2.624 -2.314 -0.878) 3.607 28.054 ( -3.042 -0.724 0.699) 3.204 38.077 ( 9.604 -6.411 -4.309) 12.325 38.357 ( -6.447 -4.462 6.057) 9.908 39.938 ( 23.166 -7.394 -8.378) 25.721 40.709 ( -13.916 11.000 14.991) 23.225 ======================= Grid point 285 (112/231) ======================= q-point: (-0.38 -0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.922 ( 0.000 -29.635 -24.035) 38.156 7.840 ( -0.000 9.386 10.323) 13.953 8.147 ( -0.000 7.154 6.297) 9.531 8.659 ( 0.000 -27.259 -11.447) 29.565 8.978 ( -0.000 13.461 26.097) 29.365 9.684 ( -0.000 -4.852 1.030) 4.960 10.291 ( 0.000 2.324 -10.728) 10.977 10.934 ( 0.000 -0.606 -8.215) 8.237 11.268 ( -0.000 27.147 15.209) 31.117 11.360 ( -0.000 -7.218 6.599) 9.780 11.783 ( -0.000 1.734 2.851) 3.337 13.084 ( 0.000 -7.959 -5.551) 9.703 13.357 ( 0.000 -23.639 -12.651) 26.811 13.598 ( -0.000 -0.572 1.324) 1.442 14.436 ( 0.000 4.288 1.458) 4.529 14.670 ( 0.000 0.225 -3.248) 3.256 15.378 ( 0.000 0.567 -2.545) 2.607 16.095 ( 0.000 12.263 -12.639) 17.611 18.774 ( -0.000 9.469 8.089) 12.454 19.181 ( -0.000 -0.151 -0.042) 0.157 20.386 ( 0.000 -0.832 -1.082) 1.365 20.801 ( 0.000 2.247 -0.132) 2.251 21.215 ( 0.000 0.643 -2.552) 2.631 21.300 ( -0.000 0.389 0.358) 0.528 27.916 ( 0.000 0.503 0.205) 0.543 28.094 ( 0.000 -1.695 -1.296) 2.134 37.346 ( -0.000 -0.902 2.356) 2.523 38.668 ( -0.000 -4.998 9.504) 10.738 39.251 ( 0.000 -7.048 -9.358) 11.715 40.956 ( -0.000 9.919 10.819) 14.678 ======================= Grid point 286 (113/231) ======================= q-point: (-0.31 -0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.496 ( 4.493 -34.956 -26.901) 44.337 7.808 ( -2.722 -21.358 -6.006) 22.352 8.191 ( -6.515 -6.706 -0.850) 9.388 8.636 ( 19.800 11.033 15.940) 27.710 9.235 ( -1.628 9.661 24.215) 26.122 9.539 ( -9.147 0.461 1.813) 9.336 10.310 ( -1.556 11.388 -12.217) 16.774 10.836 ( -1.355 -15.208 -4.175) 15.829 11.194 ( -1.980 -8.420 12.721) 15.383 11.766 ( 13.952 20.944 8.981) 26.721 11.967 ( 5.865 18.212 -3.271) 19.411 12.851 ( -7.603 -13.442 -3.428) 15.820 13.147 ( 8.725 -22.767 -16.449) 29.412 13.521 ( -9.308 0.403 1.235) 9.398 14.366 ( -11.452 4.692 -1.173) 12.431 14.716 ( 7.011 -2.099 -2.389) 7.698 15.356 ( 0.892 -4.901 -0.905) 5.063 16.062 ( -13.046 15.772 -13.041) 24.270 18.935 ( 0.994 8.468 7.242) 11.187 19.299 ( 11.257 5.178 1.292) 12.458 20.417 ( 3.799 2.874 -3.285) 5.786 20.783 ( -3.973 1.621 0.183) 4.295 21.196 ( -10.096 2.031 -0.373) 10.305 21.211 ( -3.755 2.792 -2.134) 5.143 27.903 ( -1.601 -0.117 0.096) 1.608 28.087 ( 2.217 -2.438 -1.090) 3.470 37.437 ( 10.090 -2.060 2.099) 10.510 38.633 ( -2.701 -7.770 9.922) 12.889 39.175 ( 7.760 -10.585 -9.137) 15.992 41.079 ( -5.250 9.417 14.511) 18.078 ======================= Grid point 287 (114/231) ======================= q-point: (-0.23 -0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.093 ( 9.346 -38.335 -27.527) 48.111 7.338 ( 2.043 -45.043 -14.143) 47.255 8.179 ( -2.080 12.703 1.583) 12.969 9.050 ( -9.571 2.509 11.304) 15.023 9.482 ( 19.703 15.471 25.148) 35.497 9.612 ( 3.819 11.069 12.702) 17.276 10.277 ( -8.878 14.147 -12.857) 21.078 10.605 ( 7.856 -33.779 -0.604) 34.685 11.251 ( 2.238 1.418 9.105) 9.482 12.190 ( 16.674 2.658 -1.884) 16.990 12.269 ( 1.713 28.617 -1.026) 28.687 12.559 ( -9.460 -13.188 -1.049) 16.263 13.018 ( 8.985 -11.792 -14.955) 21.058 13.352 ( -12.295 4.108 3.682) 13.476 14.190 ( -13.706 8.679 -6.270) 17.393 14.790 ( 4.123 -1.667 -0.691) 4.501 15.290 ( 0.706 -12.029 0.480) 12.059 15.790 ( -23.149 7.565 -11.433) 26.904 19.063 ( 2.527 6.447 3.260) 7.654 19.609 ( 13.664 6.647 2.607) 15.417 20.516 ( 3.970 3.047 -2.340) 5.524 20.695 ( -8.427 -0.990 1.043) 8.548 20.977 ( -13.938 6.964 0.550) 15.590 21.196 ( -3.533 7.206 -4.505) 9.203 27.875 ( -0.345 -1.431 -0.333) 1.509 28.094 ( 1.245 -2.112 -0.321) 2.473 37.634 ( 14.042 -3.613 -0.226) 14.501 38.542 ( -4.073 -9.158 9.121) 13.552 39.222 ( 16.175 -11.548 -7.343) 21.188 41.127 ( -9.608 8.727 16.836) 21.258 ======================= Grid point 288 (115/231) ======================= q-point: (-0.15 -0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.797 ( 19.160 -37.623 -24.675) 48.902 6.980 ( 16.407 -42.981 -9.850) 47.049 8.316 ( 0.997 16.027 -4.867) 16.779 8.838 ( -22.387 7.832 15.222) 28.182 9.832 ( 2.078 10.647 8.964) 14.073 10.149 ( -8.961 10.335 -1.474) 13.758 10.290 ( 28.839 13.613 13.443) 34.608 10.487 ( 21.437 -37.958 1.977) 43.638 11.325 ( -1.787 3.240 4.263) 5.645 12.171 ( -13.543 -3.789 -5.921) 15.259 12.387 ( 0.160 -1.883 -6.714) 6.975 12.545 ( 14.182 1.297 0.853) 14.266 13.010 ( 0.236 -4.994 -6.943) 8.556 13.362 ( -3.312 25.158 5.525) 25.970 13.986 ( -20.765 19.812 -12.117) 31.153 14.807 ( -0.852 -0.802 0.831) 1.435 15.110 ( -4.370 -19.973 0.849) 20.463 15.410 ( -13.849 -2.814 -4.634) 14.872 19.168 ( 1.036 4.355 0.996) 4.586 19.868 ( 9.473 2.931 -1.611) 10.046 20.344 ( -17.648 -9.435 6.771) 21.127 20.639 ( 0.920 0.930 2.014) 2.402 20.977 ( -3.499 18.132 -4.199) 18.938 21.202 ( -1.581 10.755 -5.121) 12.017 27.865 ( 1.462 -1.957 -0.634) 2.523 28.078 ( -0.770 -2.018 0.496) 2.216 37.807 ( 11.894 -5.436 -3.209) 13.465 38.422 ( -4.465 -9.793 8.201) 13.531 39.412 ( 22.421 -10.018 -7.807) 25.768 41.126 ( -11.839 9.079 18.534) 23.793 ======================= Grid point 299 (116/231) ======================= q-point: (-0.31 -0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.935 ( 0.000 -38.724 -28.390) 48.016 7.372 ( -0.000 -49.332 -18.601) 52.723 8.406 ( -0.000 4.999 17.302) 18.010 8.644 ( -0.000 22.473 12.974) 25.949 9.434 ( -0.000 -12.680 12.838) 18.045 9.497 ( -0.000 -3.450 9.878) 10.464 10.422 ( 0.000 20.754 -16.131) 26.285 10.856 ( 0.000 2.099 -1.715) 2.710 10.913 ( -0.000 -35.270 7.264) 36.010 11.953 ( -0.000 23.625 13.408) 27.165 12.175 ( 0.000 31.619 -5.484) 32.091 12.754 ( -0.000 -16.956 -5.292) 17.762 12.771 ( 0.000 -16.058 -11.754) 19.900 13.624 ( -0.000 0.672 2.332) 2.427 14.489 ( 0.000 -11.003 -8.537) 13.927 14.580 ( 0.000 6.818 2.112) 7.137 15.290 ( -0.000 -6.676 0.133) 6.677 16.313 ( 0.000 22.997 -14.687) 27.286 19.132 ( -0.000 13.763 11.239) 17.769 19.210 ( 0.000 4.281 -1.605) 4.572 20.401 ( 0.000 6.204 -6.140) 8.729 20.829 ( -0.000 0.738 0.311) 0.801 21.268 ( 0.000 8.702 -6.230) 10.703 21.305 ( -0.000 -1.244 2.781) 3.047 27.934 ( 0.000 1.039 0.422) 1.122 28.012 ( -0.000 -4.932 -1.363) 5.117 37.340 ( -0.000 -3.037 3.631) 4.734 38.619 ( -0.000 -11.833 11.642) 16.600 38.932 ( 0.000 -13.167 -10.243) 16.683 41.304 ( -0.000 8.228 17.851) 19.656 ======================= Grid point 300 (117/231) ======================= q-point: (-0.23 -0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.414 ( 4.764 -41.676 -29.033) 51.014 6.722 ( 0.225 -55.625 -18.955) 58.766 8.443 ( -9.047 10.258 12.821) 18.747 9.046 ( 10.041 -5.090 9.144) 14.503 9.336 ( 21.661 -16.974 5.805) 28.125 9.662 ( 1.744 2.839 21.460) 21.718 10.392 ( -16.147 -15.237 0.024) 22.201 10.482 ( -5.227 18.583 -17.492) 26.050 11.151 ( 14.968 -0.346 6.852) 16.465 12.156 ( -4.665 14.657 2.698) 15.616 12.501 ( 0.577 20.900 -0.898) 20.927 12.515 ( -3.525 -13.238 -3.672) 14.183 12.720 ( 11.622 1.593 -7.681) 14.022 13.593 ( -6.072 4.440 4.816) 8.932 14.300 ( -1.604 -7.053 -9.233) 11.729 14.698 ( 5.291 1.255 1.320) 5.596 15.209 ( -2.680 -6.685 1.367) 7.330 16.255 ( -22.503 18.370 -15.033) 32.709 19.187 ( -3.109 11.329 2.508) 12.012 19.474 ( 11.482 7.197 5.239) 14.529 20.474 ( 4.063 7.794 -6.590) 10.986 20.802 ( -4.347 0.230 0.043) 4.353 21.232 ( -8.626 2.176 2.492) 9.239 21.302 ( -2.559 9.450 -6.641) 11.830 27.885 ( -2.873 -2.327 -0.367) 3.716 28.021 ( 3.822 -2.540 -0.262) 4.597 37.405 ( 8.498 -3.968 2.857) 9.804 38.535 ( -2.001 -13.657 10.477) 17.329 38.821 ( 9.797 -14.539 -8.193) 19.352 41.440 ( -5.339 6.939 20.297) 22.105 ======================= Grid point 301 (118/231) ======================= q-point: (-0.15 -0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.976 ( 12.922 -42.501 -27.360) 52.172 6.174 ( 12.682 -54.817 -12.933) 57.732 8.487 ( -4.755 13.483 4.489) 14.985 9.056 ( 16.977 -29.520 3.946) 34.282 9.554 ( 9.896 -25.844 6.496) 28.426 9.979 ( 13.548 6.226 9.602) 17.734 10.174 ( -0.280 8.191 13.911) 16.146 10.426 ( -9.347 13.945 -16.396) 23.466 11.388 ( 6.600 2.917 5.436) 9.034 12.145 ( -3.283 -0.096 -4.499) 5.570 12.300 ( -5.315 -5.159 -3.724) 8.291 12.646 ( -0.208 13.150 -0.258) 13.154 12.939 ( 3.524 5.582 -1.848) 6.855 13.654 ( -3.497 17.434 3.106) 18.051 14.271 ( 6.815 5.810 -3.437) 9.592 14.781 ( 5.269 -6.054 2.282) 8.344 15.062 ( -11.575 -1.657 0.986) 11.734 15.773 ( -33.835 5.744 -13.839) 37.004 19.287 ( -2.561 13.155 1.214) 13.457 19.715 ( 9.195 0.978 1.885) 9.437 20.520 ( -6.255 -4.145 1.191) 7.597 20.692 ( -4.982 0.674 2.750) 5.730 21.194 ( -4.101 16.622 -5.408) 17.955 21.304 ( -2.668 9.432 -6.177) 11.586 27.828 ( -0.102 -3.037 -0.454) 3.073 28.049 ( 1.711 -2.162 0.345) 2.779 37.544 ( 10.957 -4.965 -0.278) 12.033 38.408 ( -2.512 -14.255 8.556) 16.814 38.895 ( 19.166 -13.170 -6.658) 24.189 41.498 ( -8.977 6.766 21.929) 24.643 ======================= Grid point 313 (119/231) ======================= q-point: (-0.23 -0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.782 ( 0.000 -44.477 -29.202) 53.207 6.024 ( -0.000 -60.639 -22.138) 64.554 8.452 ( -0.000 -70.689 -0.642) 70.692 8.739 ( -0.000 -0.288 22.087) 22.089 9.211 ( 0.000 21.308 1.343) 21.350 9.784 ( -0.000 -1.482 22.152) 22.202 10.513 ( 0.000 -2.227 -7.252) 7.586 10.542 ( 0.000 15.697 -24.295) 28.925 11.102 ( -0.000 6.908 19.850) 21.017 12.375 ( -0.000 -8.948 -0.309) 8.954 12.479 ( 0.000 -6.880 -3.563) 7.748 12.502 ( 0.000 17.670 3.068) 17.934 12.778 ( 0.000 32.645 -5.478) 33.102 13.690 ( -0.000 1.445 6.914) 7.063 14.131 ( 0.000 -11.473 -10.174) 15.334 14.646 ( -0.000 -3.486 -0.692) 3.554 15.232 ( -0.000 1.725 3.330) 3.750 16.616 ( 0.000 23.254 -13.980) 27.133 19.319 ( 0.000 8.935 -2.658) 9.322 19.504 ( -0.000 11.540 8.223) 14.170 20.469 ( 0.000 7.893 -8.854) 11.861 20.851 ( 0.000 2.150 -1.212) 2.468 21.342 ( -0.000 2.442 3.404) 4.189 21.380 ( 0.000 9.625 -7.589) 12.257 27.874 ( -0.000 -7.489 -1.024) 7.559 27.965 ( 0.000 1.478 0.579) 1.587 37.310 ( -0.000 -4.587 4.610) 6.503 38.465 ( -0.000 -16.854 12.004) 20.691 38.527 ( 0.000 -15.981 -9.375) 18.528 41.668 ( -0.000 5.120 23.369) 23.924 ======================= Grid point 314 (120/231) ======================= q-point: (-0.15 -0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.214 ( 6.000 -46.390 -28.355) 54.699 5.334 ( 6.948 -62.389 -17.833) 65.258 7.884 ( 28.195 -83.368 -5.004) 88.149 8.784 ( -9.139 7.544 15.782) 19.736 9.485 ( 7.076 6.809 2.462) 10.124 9.911 ( 5.572 -1.945 18.457) 19.377 10.407 ( -6.824 12.642 -6.127) 15.618 10.546 ( -3.018 8.829 -21.098) 23.069 11.305 ( 5.970 -2.421 17.527) 18.673 12.306 ( -6.653 -2.975 0.441) 7.301 12.326 ( -3.662 5.297 -0.417) 6.453 12.732 ( 3.015 15.538 -2.752) 16.065 13.021 ( -1.872 15.469 -3.371) 15.942 13.848 ( 3.845 14.493 6.146) 16.205 14.028 ( 8.893 -7.676 -4.558) 12.601 14.609 ( 3.174 -9.774 -0.724) 10.302 15.269 ( -3.293 7.783 4.521) 9.584 16.455 ( -33.698 19.109 -13.549) 41.040 19.441 ( 2.796 12.760 -1.159) 13.114 19.654 ( 1.484 6.480 2.820) 7.221 20.515 ( 2.038 0.659 -4.299) 4.803 20.814 ( -5.599 1.626 0.392) 5.843 21.372 ( -2.648 11.775 -2.379) 12.301 21.406 ( -2.619 8.432 -7.038) 11.291 27.784 ( -0.299 -6.757 -0.595) 6.790 28.004 ( 1.875 0.288 0.507) 1.964 37.349 ( 6.515 -4.882 3.150) 8.729 38.324 ( -0.618 -16.755 5.207) 17.556 38.444 ( 11.660 -16.399 -2.655) 20.296 41.807 ( -4.906 4.363 25.524) 26.355 ======================= Grid point 327 (121/231) ======================= q-point: (-0.15 -0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.534 ( 0.000 -49.034 -27.272) 56.108 4.516 ( -0.000 -66.173 -21.391) 69.544 6.669 ( -0.000 -99.105 -3.565) 99.170 9.056 ( -0.000 1.372 26.026) 26.062 9.452 ( 0.000 10.708 -11.919) 16.023 9.934 ( -0.000 -6.376 20.072) 21.061 10.490 ( 0.000 0.864 -23.615) 23.631 10.526 ( 0.000 11.990 -14.121) 18.525 11.353 ( -0.000 -5.303 28.308) 28.800 12.324 ( 0.000 -6.052 -4.548) 7.571 12.420 ( 0.000 13.947 0.346) 13.951 12.866 ( 0.000 14.151 0.577) 14.163 13.175 ( 0.000 10.659 -8.323) 13.523 13.859 ( -0.000 5.865 10.435) 11.970 13.999 ( 0.000 9.536 -0.937) 9.582 14.491 ( -0.000 -6.930 -2.056) 7.228 15.390 ( -0.000 7.668 3.322) 8.356 16.933 ( 0.000 22.201 -8.179) 23.659 19.496 ( 0.000 11.757 -2.795) 12.085 19.745 ( 0.000 9.431 -3.365) 10.014 20.467 ( 0.000 -1.228 -4.071) 4.252 20.887 ( 0.000 3.480 -2.465) 4.265 21.466 ( 0.000 7.328 -6.954) 10.103 21.498 ( 0.000 11.172 -0.577) 11.187 27.700 ( -0.000 -8.938 -0.597) 8.958 28.004 ( 0.000 1.726 0.588) 1.823 37.269 ( -0.000 -4.752 5.144) 7.003 38.109 ( 0.000 -15.772 -7.917) 17.647 38.227 ( -0.000 -19.455 10.316) 22.021 42.036 ( -0.000 2.822 28.628) 28.767 ======================= Grid point 370 (122/231) ======================= q-point: ( 0.15 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( -0.000 0.000 55.517) 55.517 1.883 ( -0.000 0.000 55.517) 55.517 3.193 ( -0.000 0.000 93.108) 93.108 8.901 ( 0.000 -0.000 -26.904) 26.904 8.901 ( 0.000 -0.000 -26.904) 26.904 9.845 ( -0.000 0.000 11.895) 11.895 9.845 ( -0.000 0.000 11.895) 11.895 12.071 ( -0.000 0.000 2.740) 2.740 12.071 ( -0.000 0.000 2.740) 2.740 12.664 ( 0.000 -0.000 -13.569) 13.569 13.153 ( -0.000 0.000 4.477) 4.477 13.153 ( -0.000 0.000 4.477) 4.477 13.295 ( -0.000 0.000 0.453) 0.453 14.132 ( -0.000 0.000 1.688) 1.688 14.132 ( -0.000 0.000 1.688) 1.688 14.374 ( 0.000 -0.000 -21.107) 21.107 15.111 ( 0.000 -0.000 -1.110) 1.110 15.629 ( 0.000 -0.000 -2.791) 2.791 20.005 ( -0.000 0.000 2.660) 2.660 20.005 ( -0.000 0.000 2.660) 2.660 20.935 ( 0.000 -0.000 -3.523) 3.523 20.935 ( 0.000 -0.000 -3.523) 3.523 21.974 ( -0.000 0.000 20.270) 20.270 25.380 ( 0.000 -0.000 -9.105) 9.105 27.365 ( -0.000 0.000 2.628) 2.628 28.039 ( 0.000 -0.000 -2.396) 2.396 37.275 ( -0.000 0.000 0.610) 0.610 37.275 ( 0.000 -0.000 0.610) 0.610 37.455 ( 0.000 -0.000 -0.637) 0.637 37.455 ( 0.000 -0.000 -0.637) 0.637 ======================= Grid point 371 (123/231) ======================= q-point: ( 0.23 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.343 ( 25.208 14.554 43.704) 52.509 2.776 ( 26.732 15.434 53.865) 62.083 4.298 ( 52.011 30.029 75.040) 96.114 8.580 ( -0.860 -0.496 -31.869) 31.884 9.123 ( 18.775 10.840 -25.105) 33.170 9.777 ( -7.287 -4.207 9.383) 12.603 10.014 ( 3.702 2.137 14.451) 15.070 11.946 ( -9.126 -5.269 3.823) 11.210 12.000 ( -8.773 -5.065 -5.770) 11.658 12.411 ( -35.653 -20.585 24.583) 47.950 12.590 ( 0.214 0.124 -15.343) 15.345 13.143 ( -0.743 -0.429 0.621) 1.059 13.301 ( 6.442 3.720 12.348) 14.415 14.168 ( -3.587 -2.071 -15.897) 16.428 14.278 ( 3.612 2.085 -0.558) 4.208 14.626 ( 7.327 4.230 -2.096) 8.716 15.465 ( 28.191 16.276 -25.801) 41.537 15.566 ( -3.691 -2.131 -3.937) 5.802 19.907 ( -7.992 -4.614 2.057) 9.455 20.054 ( -0.290 -0.167 4.954) 4.965 20.791 ( -12.896 -7.445 0.291) 14.893 20.827 ( -4.500 -2.598 -5.335) 7.448 22.037 ( -4.888 -2.822 20.974) 21.720 24.212 ( -68.511 -39.555 26.320) 83.374 27.413 ( 3.561 2.056 2.415) 4.769 28.018 ( -0.549 -0.317 -2.599) 2.676 37.383 ( 4.966 2.867 4.027) 7.008 37.387 ( 0.646 0.373 -3.932) 4.002 37.726 ( 17.635 10.182 1.691) 20.434 38.584 ( 83.295 48.090 -53.903) 110.255 ======================= Grid point 372 (124/231) ======================= q-point: ( 0.31 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.341 ( 41.386 23.894 29.062) 55.932 3.664 ( 26.341 15.208 51.135) 59.497 6.110 ( 69.567 40.164 53.352) 96.432 8.480 ( 7.154 4.131 -31.283) 32.356 9.468 ( 22.158 12.793 -20.877) 33.023 9.608 ( -11.630 -6.715 5.918) 14.676 10.167 ( 3.478 2.008 12.223) 12.866 11.627 ( -19.834 -11.451 8.015) 24.265 11.672 ( -13.312 -7.685 -15.276) 21.671 12.157 ( -2.731 -1.577 21.601) 21.830 12.490 ( -1.020 -0.589 -16.386) 16.428 13.097 ( -3.417 -1.973 -3.915) 5.558 13.525 ( 2.920 1.686 18.899) 19.198 13.950 ( -5.308 -3.065 -16.222) 17.342 14.414 ( 6.280 3.626 6.186) 9.531 14.584 ( -7.950 -4.590 4.163) 10.079 15.425 ( -6.097 -3.520 -5.630) 9.015 15.714 ( 5.516 3.185 -28.467) 29.171 19.680 ( -12.163 -7.022 1.215) 14.097 20.015 ( -6.656 -3.843 10.193) 12.766 20.462 ( -13.408 -7.741 -0.024) 15.483 20.684 ( -4.687 -2.706 -6.071) 8.133 21.977 ( -10.018 -5.784 18.338) 21.681 23.129 ( -39.359 -22.724 23.730) 51.270 27.541 ( 6.096 3.520 1.705) 7.243 27.989 ( -0.704 -0.406 -2.382) 2.517 37.418 ( 4.365 2.520 -6.354) 8.111 37.571 ( 8.376 4.836 7.564) 12.278 38.230 ( 24.260 14.006 4.142) 28.317 39.753 ( 47.663 27.518 -61.791) 82.747 ======================= Grid point 373 (125/231) ======================= q-point: ( 0.38 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.489 ( 46.062 26.594 19.475) 56.641 4.577 ( 30.359 17.528 43.237) 55.662 7.935 ( 64.818 37.423 38.567) 84.198 8.546 ( 12.452 7.189 -25.665) 29.418 9.285 ( -18.991 -10.965 2.201) 22.040 9.867 ( 19.191 11.080 -10.320) 24.445 10.348 ( 9.756 5.633 3.539) 11.808 11.177 ( -23.396 -13.508 7.260) 27.974 11.278 ( -11.158 -6.442 -21.077) 24.703 12.359 ( -2.289 -1.322 -18.069) 18.261 12.369 ( 9.528 5.501 19.971) 22.801 12.897 ( -11.908 -6.875 -7.409) 15.620 13.504 ( -14.488 -8.365 19.430) 25.640 13.833 ( 2.478 1.431 -11.959) 12.296 14.378 ( -11.426 -6.597 5.738) 14.387 14.657 ( 10.089 5.825 11.044) 16.052 15.227 ( -8.317 -4.802 -6.403) 11.543 15.470 ( -12.906 -7.451 -17.153) 22.723 19.383 ( -13.443 -7.762 -0.339) 15.527 19.927 ( -4.173 -2.409 7.870) 9.228 20.209 ( -8.981 -5.185 -0.549) 10.385 20.574 ( -1.578 -0.911 -4.885) 5.214 21.789 ( -13.902 -8.026 13.352) 20.880 22.542 ( -23.257 -13.427 12.557) 29.646 27.690 ( 5.856 3.381 1.005) 6.836 27.964 ( -0.367 -0.212 -1.661) 1.714 37.503 ( 6.304 3.640 -8.393) 11.110 37.836 ( 9.851 5.687 10.827) 15.703 38.854 ( 27.062 15.624 6.363) 31.889 40.203 ( 21.904 12.646 -51.018) 56.944 ======================= Grid point 374 (126/231) ======================= q-point: ( 0.46 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.534 ( 33.876 19.558 34.761) 52.330 5.639 ( 45.940 26.524 12.658) 54.537 8.668 ( -9.734 -5.620 -18.002) 21.222 8.857 ( 0.480 0.277 -1.280) 1.395 9.364 ( 40.658 23.474 18.543) 50.477 10.202 ( 8.840 5.104 10.690) 14.781 10.653 ( -10.358 -5.980 -12.282) 17.144 10.703 ( 10.915 6.302 9.372) 15.706 10.954 ( -6.396 -3.693 -22.065) 23.268 12.160 ( -6.485 -3.744 -19.482) 20.871 12.392 ( -20.657 -11.927 -10.708) 26.146 12.854 ( 16.681 9.631 21.906) 29.170 13.213 ( -18.045 -10.418 18.717) 28.009 13.862 ( 4.716 2.722 -8.686) 10.252 14.166 ( -9.134 -5.273 5.156) 11.739 14.831 ( -6.676 -3.854 -0.671) 7.738 15.046 ( -0.957 -0.553 7.771) 7.850 15.055 ( -15.357 -8.866 -7.376) 19.206 19.093 ( -10.289 -5.940 -2.341) 12.109 19.844 ( -6.857 -3.959 -4.780) 9.249 20.107 ( 0.685 0.395 8.491) 8.528 20.577 ( 3.724 2.150 -2.317) 4.884 21.507 ( -15.386 -8.883 7.670) 19.351 22.131 ( -17.932 -10.353 5.326) 21.380 27.809 ( 4.064 2.346 0.359) 4.706 27.956 ( 0.216 0.125 -0.513) 0.571 37.599 ( 6.250 3.609 -9.803) 12.173 38.123 ( 8.880 5.127 13.455) 16.917 39.515 ( 26.719 15.426 7.828) 31.830 40.270 ( 7.675 4.431 -40.901) 41.851 ======================= Grid point 375 (127/231) ======================= q-point: ( 0.54 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.510 ( 35.933 20.746 27.265) 49.648 6.713 ( 42.460 24.514 6.607) 49.472 8.003 ( -31.690 -18.296 -7.536) 37.360 9.205 ( 21.813 12.594 -7.982) 26.422 9.703 ( -23.116 -13.346 0.008) 26.692 10.053 ( -1.867 -1.078 5.222) 5.649 10.734 ( -2.457 -1.418 -20.228) 20.425 10.789 ( 2.353 1.359 14.006) 14.267 11.133 ( 23.486 13.559 -16.027) 31.501 11.832 ( -12.870 -7.431 -16.732) 22.379 11.968 ( -4.611 -2.662 4.413) 6.915 12.946 ( -13.387 -7.729 16.023) 22.263 13.458 ( 23.695 13.680 17.623) 32.544 13.914 ( 0.138 0.080 -7.853) 7.855 14.037 ( -3.763 -2.172 5.308) 6.859 14.483 ( -14.168 -8.180 -5.898) 17.390 14.732 ( -10.116 -5.841 -1.940) 11.841 15.089 ( -5.965 -3.444 15.221) 16.707 18.929 ( -1.771 -1.022 -3.931) 4.431 19.603 ( -10.601 -6.120 -3.784) 12.812 20.270 ( 8.181 4.723 6.065) 11.226 20.690 ( 5.000 2.887 -0.704) 5.816 21.210 ( -11.511 -6.646 3.318) 13.699 21.758 ( -16.343 -9.435 1.317) 18.917 27.880 ( 2.112 1.219 -0.098) 2.441 27.967 ( 0.610 0.352 0.759) 1.035 37.668 ( 4.586 2.647 -10.464) 11.727 38.375 ( 5.770 3.331 15.101) 16.505 40.135 ( -0.744 -0.429 -33.166) 33.177 40.150 ( 24.481 14.134 8.251) 29.448 ======================= Grid point 376 (128/231) ======================= q-point: ( 0.62 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.120 ( -32.486 -18.756 -6.151) 38.013 7.470 ( 35.490 20.490 21.182) 46.131 7.719 ( 33.826 19.529 1.174) 39.076 8.907 ( -41.260 -23.821 5.115) 47.917 9.643 ( 17.739 10.242 -9.029) 22.385 9.989 ( -9.045 -5.222 -12.499) 16.288 10.633 ( -6.405 -3.698 8.880) 11.556 10.634 ( 3.991 2.304 -20.463) 20.975 11.448 ( -12.000 -6.928 -7.646) 15.826 11.603 ( 23.103 13.338 -14.598) 30.410 12.210 ( 10.611 6.126 18.601) 22.274 12.764 ( -11.022 -6.364 14.494) 19.289 13.462 ( -31.722 -18.315 -15.758) 39.875 13.821 ( 1.990 1.149 -3.787) 4.430 14.278 ( 18.548 10.708 16.458) 27.010 14.445 ( 9.057 5.229 0.368) 10.465 14.591 ( -0.989 -0.571 3.505) 3.686 14.942 ( -12.816 -7.399 18.829) 23.949 18.977 ( 7.773 4.488 -5.137) 10.341 19.351 ( -9.539 -5.508 -1.269) 11.088 20.508 ( 9.631 5.560 3.487) 11.655 20.644 ( -9.016 -5.205 -1.607) 10.534 21.155 ( 5.707 3.295 1.544) 6.769 21.405 ( -14.315 -8.265 -0.164) 16.531 27.911 ( 0.930 0.537 -0.294) 1.113 27.987 ( 0.328 0.189 1.752) 1.793 37.685 ( 1.960 1.132 -10.373) 10.617 38.544 ( 1.220 0.704 15.553) 15.617 39.881 ( -6.475 -3.738 -27.142) 28.153 40.722 ( 21.588 12.464 7.529) 26.039 ======================= Grid point 377 (129/231) ======================= q-point: (-0.31 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.245 ( -39.467 -22.787 -1.663) 45.603 7.929 ( -46.918 -27.088 8.282) 54.805 8.333 ( 29.542 17.056 14.118) 36.918 8.465 ( 29.672 17.131 -6.245) 34.827 9.648 ( -10.048 -5.801 -3.200) 12.036 9.815 ( 2.235 1.290 -9.993) 10.321 10.554 ( -3.607 -2.082 -28.045) 28.352 10.754 ( 12.127 7.002 -0.947) 14.036 11.427 ( 14.116 8.150 6.532) 17.560 12.004 ( 18.128 10.466 -10.777) 23.544 12.311 ( -47.733 -27.559 7.547) 55.632 12.454 ( 0.778 0.449 17.202) 17.226 12.736 ( -8.986 -5.188 -13.136) 16.740 13.803 ( 0.801 0.462 -6.883) 6.945 14.478 ( -10.963 -6.329 4.039) 13.288 14.528 ( 4.697 2.712 -1.425) 5.608 14.883 ( 13.068 7.545 16.051) 22.031 15.025 ( 13.427 7.752 22.950) 27.696 19.178 ( -4.976 -2.873 0.892) 5.814 19.198 ( 13.545 7.820 -6.354) 16.882 20.393 ( -10.327 -5.962 -0.756) 11.949 20.724 ( 7.018 4.052 1.806) 8.302 21.137 ( -7.885 -4.552 0.688) 9.131 21.336 ( 7.890 4.555 -1.335) 9.208 27.927 ( 0.703 0.406 -0.278) 0.858 27.992 ( -1.016 -0.587 2.134) 2.435 37.641 ( -0.899 -0.519 -9.627) 9.683 38.599 ( -3.893 -2.248 14.827) 15.494 39.542 ( -10.955 -6.325 -22.172) 25.527 41.221 ( 18.780 10.842 5.398) 22.347 ======================= Grid point 378 (130/231) ======================= q-point: (-0.23 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.320 ( -41.941 -24.215 5.441) 48.734 6.854 ( -51.549 -29.762 11.432) 60.612 8.887 ( 14.094 8.137 3.157) 16.578 8.959 ( 18.021 10.404 -15.313) 25.836 9.610 ( -21.092 -12.177 -10.052) 26.348 9.685 ( 10.190 5.883 17.721) 21.272 10.252 ( -5.976 -3.450 -17.160) 18.495 11.115 ( 21.716 12.538 -12.469) 28.004 11.125 ( -47.057 -27.168 -6.802) 54.760 12.003 ( 29.072 16.785 4.275) 33.841 12.311 ( 11.793 6.809 -6.295) 15.003 12.444 ( -6.856 -3.958 11.681) 14.111 12.568 ( -5.669 -3.273 -0.723) 6.586 13.798 ( 2.328 1.344 -7.610) 8.071 14.205 ( -13.462 -7.772 7.495) 17.257 14.629 ( 3.554 2.052 -0.869) 4.194 15.143 ( 4.335 2.503 8.260) 9.658 15.603 ( 23.275 13.438 24.069) 36.078 19.150 ( 1.817 1.049 2.253) 3.078 19.476 ( 12.716 7.342 -8.249) 16.842 20.224 ( -3.857 -2.227 4.169) 6.101 20.799 ( -0.419 -0.242 1.729) 1.795 21.118 ( 4.712 2.720 2.379) 5.938 21.456 ( 3.955 2.284 -5.794) 7.378 27.945 ( 1.046 0.604 -0.201) 1.224 27.955 ( -3.374 -1.948 1.839) 4.308 37.541 ( -3.283 -1.896 -8.386) 9.203 38.532 ( -8.662 -5.001 13.121) 16.498 39.136 ( -14.528 -8.388 -17.843) 24.490 41.640 ( 16.018 9.248 0.916) 18.519 ======================= Grid point 379 (131/231) ======================= q-point: (-0.15 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.400 ( -43.080 -24.872 15.105) 51.987 5.705 ( -55.172 -31.853 15.611) 65.592 8.487 ( -68.827 -39.738 -5.369) 79.656 9.120 ( 6.196 3.577 -22.247) 23.369 9.165 ( 10.648 6.148 5.845) 13.614 10.128 ( 14.293 8.252 24.362) 29.426 10.187 ( 1.649 0.952 -21.390) 21.475 10.382 ( -12.260 -7.078 3.589) 14.604 11.494 ( 14.733 8.506 -25.608) 30.744 12.258 ( -5.795 -3.346 10.953) 12.836 12.431 ( -5.452 -3.148 2.833) 6.904 12.596 ( 12.299 7.101 -5.140) 15.104 12.700 ( 26.420 15.254 3.962) 30.764 13.819 ( 3.278 1.892 -8.304) 9.126 13.992 ( -7.529 -4.347 5.834) 10.469 14.620 ( -4.789 -2.765 2.221) 5.960 15.259 ( 5.194 2.999 0.092) 5.998 16.304 ( 25.392 14.660 22.360) 36.873 19.274 ( 7.392 4.268 2.650) 8.937 19.631 ( 5.206 3.006 -6.866) 9.126 20.310 ( 6.827 3.941 9.487) 12.334 20.816 ( 1.421 0.820 2.868) 3.304 21.282 ( 7.021 4.054 3.870) 8.983 21.457 ( 0.681 0.393 -9.570) 9.602 27.855 ( -6.020 -3.476 1.159) 7.047 27.972 ( 1.424 0.822 -0.255) 1.664 37.406 ( -4.541 -2.622 -6.834) 8.614 38.357 ( -12.185 -7.035 10.720) 17.688 38.685 ( -16.774 -9.684 -13.930) 23.858 41.948 ( 12.042 6.952 -8.439) 16.265 ======================= Grid point 384 (132/231) ======================= q-point: ( 0.23 0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.754 ( -0.000 37.341 43.799) 57.556 3.137 ( -0.000 44.621 49.231) 66.443 4.600 ( -0.000 36.406 81.318) 89.095 8.315 ( 0.000 -8.484 -33.770) 34.819 9.058 ( 0.000 31.290 -30.412) 43.634 9.850 ( -0.000 -7.859 10.207) 12.883 10.089 ( -0.000 2.684 18.026) 18.224 11.861 ( -0.000 -17.585 1.721) 17.669 11.985 ( -0.000 -18.437 -4.656) 19.015 12.483 ( 0.000 -0.861 -17.928) 17.949 12.583 ( -0.000 -30.616 18.946) 36.004 13.160 ( -0.000 -0.605 3.638) 3.688 13.364 ( -0.000 8.654 12.258) 15.005 13.933 ( 0.000 -13.255 -12.516) 18.230 14.193 ( 0.000 4.233 -9.196) 10.123 14.601 ( -0.000 -0.075 2.131) 2.132 15.540 ( 0.000 -4.912 -4.520) 6.675 15.587 ( 0.000 51.149 -21.874) 55.630 20.005 ( -0.000 -5.689 4.503) 7.256 20.040 ( -0.000 3.189 1.826) 3.674 20.660 ( -0.000 -18.147 -3.680) 18.517 20.943 ( 0.000 1.499 -3.271) 3.598 22.162 ( -0.000 -6.109 22.706) 23.513 24.310 ( -0.000 -75.201 17.626) 77.239 27.427 ( -0.000 3.787 2.820) 4.722 28.003 ( 0.000 -0.462 -2.924) 2.961 37.152 ( -0.000 -4.320 -0.718) 4.379 37.473 ( 0.000 6.658 -3.512) 7.528 37.631 ( 0.000 12.903 1.272) 12.965 38.534 ( 0.000 90.965 -36.357) 97.961 ======================= Grid point 385 (133/231) ======================= q-point: ( 0.31 0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.481 ( 10.776 47.385 35.222) 60.017 3.901 ( 6.290 35.553 50.917) 62.419 5.874 ( 45.163 47.398 63.499) 91.205 8.138 ( 8.812 -3.002 -34.043) 35.293 9.278 ( 9.043 29.322 -31.307) 43.837 9.756 ( -7.103 -7.739 8.099) 13.265 10.220 ( 0.389 0.192 18.278) 18.283 11.529 ( -9.277 -25.028 -3.044) 26.865 11.830 ( 2.304 -15.615 -0.927) 15.811 12.282 ( -10.754 -7.450 2.409) 13.303 12.401 ( -2.701 -3.770 -5.685) 7.337 13.135 ( -4.513 0.038 1.306) 4.698 13.589 ( 5.403 5.203 16.463) 18.092 13.801 ( 6.224 -11.343 -16.842) 21.238 14.275 ( 8.090 2.316 -0.294) 8.421 14.565 ( 0.947 -11.828 3.958) 12.509 15.405 ( -4.662 -6.781 -6.934) 10.761 15.872 ( -8.172 38.047 -22.993) 45.200 19.842 ( -10.589 -5.426 2.966) 12.262 20.122 ( -0.096 2.624 4.243) 4.990 20.405 ( -4.135 -22.095 -2.464) 22.613 20.836 ( -10.137 1.647 -3.377) 10.810 22.156 ( -6.165 -9.421 20.910) 23.748 23.453 ( -25.255 -54.750 21.110) 63.883 27.518 ( 3.120 5.575 2.341) 6.803 27.980 ( -0.271 -0.276 -2.842) 2.868 37.265 ( 11.767 -3.091 0.177) 12.167 37.547 ( 3.359 8.916 -3.366) 10.105 37.956 ( 19.159 13.759 2.216) 23.691 39.320 ( 19.778 64.801 -46.832) 82.363 ======================= Grid point 386 (134/231) ======================= q-point: ( 0.38 0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.422 ( 21.450 49.154 25.971) 59.588 4.654 ( 14.073 26.901 48.116) 56.893 7.555 ( 55.288 46.198 46.795) 85.911 8.172 ( 16.242 1.833 -29.528) 33.750 9.479 ( -6.110 -5.127 -0.569) 7.997 9.624 ( 8.081 15.420 -24.804) 30.303 10.305 ( 1.193 -3.218 14.827) 15.219 11.127 ( -8.207 -18.897 -5.683) 21.372 11.583 ( -16.845 -7.418 -3.174) 18.678 12.148 ( 3.680 -8.828 -11.558) 15.002 12.358 ( 3.760 -1.362 8.092) 9.026 13.009 ( -10.017 -0.525 -2.009) 10.230 13.593 ( -0.069 -18.612 4.063) 19.050 13.866 ( 0.730 14.069 -2.491) 14.307 14.433 ( -2.644 -11.650 8.554) 14.693 14.525 ( 14.229 -0.394 3.933) 14.767 15.185 ( -5.397 -9.416 -10.388) 15.023 15.769 ( -22.971 17.959 -13.447) 32.109 19.604 ( -13.960 -1.810 0.523) 14.087 20.038 ( -9.843 -11.743 5.356) 16.231 20.180 ( 0.716 -7.259 0.102) 7.295 20.659 ( -8.807 2.190 -4.075) 9.948 21.999 ( -11.763 -11.723 16.221) 23.214 22.741 ( -18.049 -34.415 13.878) 41.264 27.652 ( 4.281 5.371 1.703) 7.076 27.961 ( -0.217 0.478 -2.290) 2.350 37.417 ( 5.900 4.582 -3.012) 8.055 37.748 ( 11.497 5.474 2.560) 12.988 38.522 ( 27.967 12.896 3.512) 30.997 39.857 ( 13.632 37.517 -45.123) 60.245 ======================= Grid point 387 (135/231) ======================= q-point: ( 0.46 0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.399 ( 22.673 34.394 27.770) 49.681 5.510 ( 26.904 34.722 30.781) 53.636 8.376 ( 19.611 4.786 -22.934) 30.552 9.023 ( 16.859 11.999 20.771) 29.320 9.131 ( 2.617 9.600 14.664) 17.721 9.888 ( 24.201 1.647 -28.338) 37.302 10.400 ( 8.221 -6.707 7.685) 13.101 10.828 ( -9.573 -7.614 -0.483) 12.241 11.171 ( -19.533 -0.313 -4.808) 20.119 12.000 ( 0.170 -9.503 -18.003) 20.358 12.496 ( -2.306 -3.224 -2.922) 4.925 12.843 ( -0.578 2.130 12.064) 12.264 13.416 ( -5.324 -14.751 10.121) 18.665 13.959 ( -4.180 18.468 -7.370) 20.319 14.230 ( -7.924 -13.610 4.910) 16.496 14.832 ( 12.122 -2.574 9.388) 15.547 14.931 ( -5.123 -11.428 -10.367) 16.258 15.392 ( -25.542 6.137 -0.125) 26.269 19.322 ( -17.610 1.316 -1.593) 17.731 19.833 ( -1.858 -9.933 -2.571) 10.427 20.151 ( -1.411 -1.488 6.872) 7.172 20.563 ( -1.837 2.245 -2.978) 4.157 21.715 ( -15.304 -12.740 10.131) 22.342 22.257 ( -12.496 -24.216 6.617) 28.043 27.776 ( 3.635 3.856 1.140) 5.420 27.959 ( -0.012 1.397 -1.337) 1.934 37.533 ( 3.146 8.616 -6.437) 11.205 38.044 ( 13.498 3.135 8.347) 16.177 39.170 ( 30.201 10.954 3.795) 32.349 40.063 ( 4.663 21.406 -37.393) 43.338 ======================= Grid point 388 (136/231) ======================= q-point: ( 0.54 0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.249 ( 28.120 21.655 25.126) 43.485 6.523 ( 29.625 39.926 17.560) 52.727 8.315 ( -24.543 -11.903 -9.809) 28.987 8.867 ( 16.509 1.846 -3.183) 16.914 9.753 ( 5.622 0.652 -2.904) 6.361 10.218 ( 25.373 -8.754 -12.411) 29.571 10.280 ( -15.526 -14.503 7.250) 22.449 10.746 ( 11.979 -3.882 -11.819) 17.270 11.089 ( -1.948 19.097 5.914) 20.087 11.836 ( 0.761 -1.202 -7.399) 7.535 12.116 ( -21.603 -3.770 -11.705) 24.858 13.180 ( 4.926 -7.232 8.915) 12.492 13.268 ( 4.288 4.731 20.063) 21.055 14.006 ( -1.439 -13.300 0.131) 13.379 14.044 ( -5.594 19.660 -3.644) 20.762 14.662 ( -6.610 -12.911 -5.641) 15.563 14.765 ( -15.049 -6.725 2.642) 16.693 15.242 ( -3.814 2.664 12.240) 13.094 19.066 ( -12.712 4.814 -2.595) 13.839 19.677 ( -6.464 -4.681 -5.829) 9.883 20.215 ( 5.169 0.164 7.707) 9.281 20.613 ( 5.570 2.092 -0.936) 6.023 21.362 ( -14.829 -12.484 4.459) 19.890 21.871 ( -11.269 -18.482 2.265) 21.765 27.864 ( 2.209 2.672 0.709) 3.539 27.971 ( 0.190 1.422 -0.168) 1.444 37.621 ( 1.389 9.053 -8.080) 12.214 38.342 ( 11.169 1.671 11.820) 16.348 39.757 ( 23.980 5.623 -6.319) 25.428 40.097 ( 3.010 14.912 -20.143) 25.242 ======================= Grid point 389 (137/231) ======================= q-point: ( 0.62 0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.060 ( 30.101 13.758 13.043) 35.574 7.427 ( 8.623 20.789 9.822) 24.556 7.658 ( -13.779 1.462 0.883) 13.884 9.099 ( 0.691 -19.770 -0.608) 19.792 9.537 ( -7.950 4.287 -7.119) 11.500 10.066 ( -1.042 -3.568 -1.553) 4.028 10.173 ( 1.756 -21.721 -13.569) 25.671 10.940 ( 11.549 -3.186 -6.587) 13.672 11.218 ( 4.933 19.022 -13.446) 23.811 11.638 ( -19.248 1.137 -9.882) 21.666 12.123 ( 16.257 4.328 16.083) 23.274 12.993 ( -12.074 -2.593 5.156) 13.383 13.623 ( 9.944 -6.486 5.689) 13.165 13.786 ( -19.453 -11.691 -4.276) 23.095 14.155 ( 5.494 3.620 9.428) 11.497 14.468 ( 2.029 -0.951 4.289) 4.839 14.587 ( -3.085 5.921 2.118) 7.005 15.220 ( -8.595 -0.472 12.863) 15.477 18.985 ( -3.152 10.217 -4.025) 11.425 19.463 ( -9.715 -3.407 -3.520) 10.881 20.394 ( 9.785 1.062 4.505) 10.824 20.702 ( -0.326 -0.981 -0.597) 1.193 21.088 ( -2.304 -8.479 1.408) 8.898 21.523 ( -11.230 -13.767 0.343) 17.769 27.911 ( 0.329 1.890 -0.117) 1.922 27.993 ( 0.752 0.920 1.445) 1.871 37.664 ( -0.784 7.786 -8.471) 11.533 38.576 ( 6.408 0.174 13.368) 14.826 39.799 ( -3.380 1.784 -25.898) 26.178 40.480 ( 22.819 10.384 4.396) 25.453 ======================= Grid point 390 (138/231) ======================= q-point: (-0.31 0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.711 ( -38.285 -17.869 0.875) 42.259 7.829 ( 31.713 6.012 2.856) 32.404 8.347 ( 11.396 16.746 11.133) 23.114 8.458 ( -24.372 -10.718 4.089) 26.937 9.590 ( 2.993 -7.376 -4.551) 9.169 9.876 ( -6.475 5.285 -10.803) 13.659 10.142 ( 16.549 -12.088 -15.260) 25.551 10.934 ( -12.528 13.195 -4.505) 18.745 11.369 ( 2.635 4.969 -1.489) 5.819 11.648 ( 24.712 8.181 -14.876) 29.982 12.462 ( 8.257 -2.200 16.078) 18.208 12.804 ( -9.317 -0.531 -7.139) 11.750 13.011 ( -48.645 -13.922 6.707) 51.040 13.641 ( 5.326 -11.349 -1.659) 12.646 14.231 ( 10.781 -20.251 4.696) 23.418 14.668 ( -1.312 11.922 -0.252) 11.996 14.838 ( 13.304 11.448 16.315) 23.963 15.179 ( -4.015 6.301 15.659) 17.351 19.083 ( 3.372 9.974 -6.278) 12.258 19.287 ( -5.653 1.942 -0.428) 5.992 20.494 ( -6.144 -5.552 -1.205) 8.368 20.637 ( 5.491 2.176 2.537) 6.428 21.131 ( 7.218 -6.665 -0.520) 9.838 21.254 ( -4.709 -6.544 0.635) 8.087 27.917 ( -0.224 0.046 -0.448) 0.503 28.025 ( -0.038 1.483 2.242) 2.689 37.651 ( -3.255 5.831 -7.938) 10.373 38.705 ( 0.359 -1.200 13.228) 13.288 39.549 ( -9.766 -1.305 -21.472) 23.625 40.980 ( 22.112 7.218 2.644) 23.410 ======================= Grid point 391 (139/231) ======================= q-point: (-0.23 0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.863 ( -41.592 -18.884 8.217) 46.412 7.484 ( -45.506 -26.573 9.533) 53.552 8.335 ( 26.124 -5.293 -5.883) 27.297 9.040 ( 11.458 29.052 -0.302) 31.231 9.592 ( 8.670 -3.725 7.760) 12.217 9.817 ( -5.001 7.269 -6.812) 11.147 10.137 ( 3.360 -3.725 -23.357) 23.889 10.835 ( -1.650 -0.907 -4.241) 4.641 11.606 ( 5.642 -0.996 -6.790) 8.884 11.946 ( -39.364 -1.595 2.320) 39.464 12.106 ( 21.863 15.272 -12.891) 29.621 12.526 ( -4.611 -10.679 15.608) 19.466 12.719 ( -7.851 3.376 3.997) 9.435 13.629 ( 7.351 -8.798 -4.139) 12.189 14.240 ( 5.943 -15.289 5.417) 17.275 14.676 ( -4.194 7.425 0.432) 8.539 15.153 ( 2.835 3.814 10.938) 11.926 15.453 ( 15.820 5.119 19.346) 25.510 19.115 ( 1.899 -0.499 -2.328) 3.045 19.402 ( 5.361 15.752 -4.566) 17.254 20.324 ( -6.556 -0.314 2.188) 6.919 20.764 ( 4.413 -1.693 1.008) 4.833 21.088 ( 1.373 -1.325 2.301) 2.990 21.293 ( 8.671 -6.684 -3.347) 11.448 27.906 ( 0.263 -1.906 -0.080) 1.926 28.035 ( -2.249 2.107 1.762) 3.550 37.582 ( -5.541 3.945 -6.728) 9.567 38.710 ( -5.944 -2.195 11.606) 13.223 39.210 ( -13.944 -3.823 -16.773) 22.144 41.401 ( 19.416 4.907 -1.956) 20.122 ======================= Grid point 392 (140/231) ======================= q-point: (-0.15 0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.015 ( -43.186 -18.978 17.498) 50.313 6.445 ( -52.712 -25.472 13.935) 60.179 8.624 ( 21.144 -8.243 -8.527) 24.243 9.192 ( -27.778 -3.431 -9.879) 29.681 9.432 ( -21.429 15.780 -3.842) 26.888 10.002 ( 10.085 1.393 -6.368) 12.008 10.113 ( 9.198 7.286 8.072) 14.242 10.496 ( -13.896 -19.684 -6.768) 25.028 11.299 ( -0.383 12.094 -10.756) 16.190 12.164 ( 20.973 -0.666 1.074) 21.011 12.376 ( -6.276 -10.043 11.383) 16.426 12.531 ( 9.082 10.493 -3.677) 14.356 12.673 ( 0.187 14.893 -0.293) 14.897 13.682 ( 8.915 -2.816 -5.193) 10.694 14.160 ( -7.548 -3.029 6.365) 10.328 14.715 ( -2.442 5.677 -0.595) 6.209 15.194 ( 1.509 -3.715 3.110) 5.074 15.945 ( 28.299 -7.751 20.997) 36.080 19.207 ( 8.054 3.715 -0.171) 8.871 19.578 ( 2.144 10.349 -6.702) 12.514 20.352 ( 2.076 8.366 7.697) 11.557 20.791 ( 2.128 -2.402 1.331) 3.474 21.209 ( 7.649 2.368 4.265) 9.072 21.309 ( 6.102 -8.796 -6.414) 12.480 27.877 ( -1.102 -3.728 0.502) 3.920 28.015 ( -3.109 2.664 0.506) 4.125 37.471 ( -7.114 2.831 -5.065) 9.180 38.589 ( -11.255 -3.359 7.832) 14.118 38.817 ( -17.395 -4.403 -11.270) 21.189 41.706 ( 15.171 2.255 -10.308) 18.480 ======================= Grid point 398 (141/231) ======================= q-point: ( 0.31 0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.066 ( -0.000 46.062 37.250) 59.239 4.625 ( -0.000 51.711 43.244) 67.410 6.306 ( -0.000 51.374 62.636) 81.010 7.840 ( 0.000 0.297 -35.196) 35.197 9.286 ( 0.000 22.998 -37.464) 43.960 9.760 ( -0.000 -11.483 7.760) 13.859 10.368 ( -0.000 5.575 20.236) 20.990 11.395 ( -0.000 -29.304 -4.115) 29.592 11.530 ( -0.000 -14.652 2.861) 14.929 12.213 ( 0.000 -4.872 -19.615) 20.211 12.495 ( -0.000 -3.328 11.939) 12.394 13.220 ( -0.000 -2.012 8.252) 8.493 13.441 ( 0.000 -14.735 -18.322) 23.512 13.690 ( -0.000 5.839 14.083) 15.246 14.263 ( 0.000 9.031 -4.528) 10.102 14.446 ( -0.000 -15.098 7.015) 16.648 15.336 ( 0.000 -9.041 -6.668) 11.234 16.218 ( 0.000 36.099 -23.162) 42.891 19.889 ( -0.000 -11.371 5.489) 12.626 20.094 ( -0.000 -9.884 -3.955) 10.646 20.275 ( -0.000 -4.568 -0.040) 4.569 20.916 ( 0.000 -0.503 -3.450) 3.487 22.217 ( -0.000 -12.982 20.364) 24.150 23.173 ( -0.000 -60.774 19.312) 63.768 27.569 ( 0.000 7.199 2.280) 7.552 27.962 ( 0.000 -0.287 -2.855) 2.869 37.111 ( 0.000 0.564 -0.430) 0.709 37.619 ( 0.000 12.609 -4.395) 13.353 37.970 ( 0.000 18.475 2.834) 18.691 39.580 ( 0.000 59.030 -39.913) 71.257 ======================= Grid point 399 (142/231) ======================= q-point: ( 0.38 0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.814 ( 10.287 45.836 33.827) 57.888 5.265 ( -8.957 47.639 42.857) 64.703 7.491 ( 35.474 47.451 43.677) 73.605 7.786 ( 12.585 8.148 -26.866) 30.766 9.281 ( 7.884 4.614 -36.421) 37.549 9.640 ( -4.661 -11.619 4.279) 13.230 10.458 ( -9.347 2.368 15.465) 18.225 11.055 ( -3.908 -14.700 -4.875) 15.973 11.516 ( 5.694 -13.479 3.317) 15.003 12.029 ( -3.025 -3.498 -20.336) 20.855 12.422 ( -8.216 -0.995 9.999) 12.980 13.202 ( -2.872 -2.774 9.555) 10.356 13.276 ( 4.093 -14.415 -12.017) 19.208 13.873 ( 8.882 -2.206 6.496) 11.222 14.346 ( 1.190 -1.114 -0.754) 1.796 14.411 ( 5.292 1.264 9.258) 10.738 15.147 ( -5.821 -9.796 -8.712) 14.344 16.260 ( -16.336 23.028 -17.529) 33.232 19.740 ( -5.827 -8.624 3.687) 11.042 19.890 ( 0.209 -23.854 -4.201) 24.222 20.286 ( -4.659 8.727 1.619) 10.024 20.804 ( -8.435 -0.947 -3.431) 9.155 22.122 ( -6.794 -15.318 16.863) 23.773 22.632 ( -8.115 -47.656 14.851) 50.572 27.672 ( 1.791 7.186 1.879) 7.641 27.950 ( 0.485 0.379 -2.490) 2.565 37.259 ( 13.588 1.139 1.011) 13.673 37.717 ( -0.103 13.780 -5.202) 14.729 38.322 ( 15.428 18.627 4.306) 24.567 39.907 ( 3.038 41.865 -36.740) 55.783 ======================= Grid point 400 (143/231) ======================= q-point: ( 0.46 0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.675 ( 17.303 38.391 33.217) 53.634 5.825 ( -3.140 47.213 33.560) 58.010 7.940 ( 20.856 7.121 -24.936) 33.279 8.893 ( 37.118 36.092 34.189) 62.042 9.268 ( 15.275 -8.180 -28.245) 33.136 9.390 ( -11.906 -10.148 -1.907) 15.760 10.277 ( -4.729 -14.862 2.468) 15.790 10.938 ( -5.373 2.061 -0.170) 5.757 11.370 ( -9.286 -10.620 1.243) 14.162 11.864 ( -1.939 2.302 -18.168) 18.416 12.450 ( 5.478 0.267 8.436) 10.062 13.010 ( -12.851 -4.433 -2.089) 13.754 13.290 ( 7.712 -9.239 10.104) 15.714 13.936 ( 6.754 -14.756 -1.283) 16.278 14.348 ( -4.462 10.499 -1.970) 11.576 14.626 ( 6.228 -4.540 7.245) 10.578 14.906 ( -2.874 -4.475 -4.603) 7.034 15.951 ( -28.472 10.243 -7.046) 31.068 19.557 ( -9.568 -8.952 0.370) 13.107 19.683 ( 2.939 -11.627 -3.386) 12.461 20.268 ( -7.326 6.018 3.490) 10.103 20.633 ( -6.769 -0.652 -3.372) 7.590 21.879 ( -12.520 -15.686 11.587) 23.174 22.161 ( -6.442 -35.155 8.422) 36.720 27.778 ( 2.058 5.120 1.565) 5.736 27.961 ( 0.806 1.934 -1.899) 2.828 37.526 ( 10.088 6.015 1.772) 11.878 37.863 ( 8.471 8.754 -4.619) 13.028 38.859 ( 22.627 15.825 5.304) 28.117 40.083 ( 0.078 27.017 -31.360) 41.393 ======================= Grid point 401 (144/231) ======================= q-point: ( 0.54 0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.365 ( 7.770 27.864 33.460) 44.231 6.630 ( 19.085 48.056 19.126) 55.132 8.257 ( 16.381 5.552 -16.637) 23.999 8.895 ( -21.027 -11.260 5.802) 24.547 9.313 ( 24.058 -16.031 -30.914) 42.326 9.833 ( 18.562 6.170 12.241) 23.075 10.139 ( 3.714 -14.180 -5.380) 15.615 10.747 ( -13.689 -9.853 1.157) 16.906 11.271 ( 3.027 11.178 5.257) 12.718 11.794 ( -1.569 7.015 -11.266) 13.364 12.450 ( -18.691 5.780 -4.293) 20.030 12.909 ( 13.958 -10.537 7.316) 18.957 13.408 ( 1.346 1.888 15.977) 16.145 13.823 ( 2.488 -22.750 0.742) 22.897 14.352 ( -8.975 16.175 -9.075) 20.604 14.494 ( 0.404 -8.690 -6.420) 10.812 14.982 ( -1.965 -0.389 11.861) 12.029 15.526 ( -22.539 3.918 1.499) 22.926 19.308 ( -10.126 -3.968 0.577) 10.891 19.658 ( 1.141 0.574 -7.613) 7.719 20.223 ( -3.493 0.226 6.214) 7.133 20.554 ( 0.585 -0.373 -2.497) 2.591 21.522 ( -16.111 -15.332 6.110) 23.065 21.801 ( -4.650 -26.012 3.748) 26.689 27.863 ( 2.090 3.185 1.585) 4.127 27.985 ( 0.084 2.578 -1.339) 2.906 37.700 ( -0.076 12.805 -2.397) 13.028 38.135 ( 17.182 0.878 1.441) 17.264 39.425 ( 22.738 11.859 2.853) 25.803 40.120 ( -1.663 16.515 -23.015) 28.376 ======================= Grid point 402 (145/231) ======================= q-point: ( 0.62 0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.950 ( 13.084 22.308 20.285) 32.868 7.519 ( 19.779 39.021 16.268) 46.675 8.021 ( -27.250 -7.961 -3.977) 28.666 8.800 ( 10.399 -10.406 0.424) 14.718 9.442 ( 19.991 -5.549 -18.407) 27.736 9.803 ( -6.462 -25.018 -11.097) 28.121 10.142 ( 7.724 -0.603 -2.107) 8.029 10.453 ( 3.045 -10.807 -8.104) 13.847 11.486 ( -6.540 17.244 -2.744) 18.645 11.900 ( 5.751 -0.909 0.901) 5.892 12.100 ( -17.608 11.401 2.783) 21.161 13.062 ( 4.372 -7.532 1.907) 8.915 13.503 ( -1.099 -2.755 6.563) 7.202 13.652 ( 6.649 -23.932 4.974) 25.331 14.370 ( 8.609 -1.468 7.212) 11.326 14.451 ( -15.242 15.895 -5.108) 22.607 14.831 ( -13.354 5.551 5.578) 15.500 15.363 ( -4.579 -1.592 6.622) 8.207 19.175 ( -6.670 6.780 -0.063) 9.511 19.577 ( -7.827 2.725 -8.100) 11.589 20.263 ( 6.103 -3.199 6.002) 9.138 20.610 ( 7.014 -1.375 -1.296) 7.265 21.137 ( -13.593 -12.580 2.113) 18.641 21.506 ( -5.416 -19.300 1.139) 20.078 27.930 ( 0.939 2.901 0.993) 3.207 27.997 ( 0.090 1.254 -0.087) 1.261 37.773 ( -3.822 13.077 -4.645) 14.394 38.436 ( 15.224 -1.726 5.175) 16.172 39.763 ( 2.118 9.292 -12.000) 15.324 40.235 ( 14.932 8.291 -3.764) 17.490 ======================= Grid point 403 (146/231) ======================= q-point: (-0.31 0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.188 ( -29.026 -8.649 3.084) 30.443 7.564 ( 8.365 9.992 8.240) 15.418 8.359 ( 17.011 24.694 12.746) 32.583 8.652 ( -8.084 -15.132 1.846) 17.255 9.419 ( -0.335 -21.882 -9.641) 23.915 9.656 ( 13.904 3.687 -12.187) 18.853 10.020 ( -7.058 0.761 -8.237) 10.874 10.828 ( 37.986 4.738 -11.543) 39.983 11.422 ( -11.456 12.415 -8.603) 18.957 11.623 ( -18.754 3.260 -0.206) 19.036 12.323 ( 12.243 -3.546 11.951) 17.473 12.933 ( -9.711 -0.032 -8.021) 12.596 13.423 ( -0.651 -12.937 1.838) 13.083 13.545 ( -3.020 -20.578 8.738) 22.560 14.050 ( -21.402 -9.148 6.712) 24.223 14.730 ( 10.693 9.971 9.941) 17.680 14.899 ( 1.608 16.803 2.649) 17.087 15.329 ( -1.733 -0.560 7.904) 8.111 19.197 ( -4.019 14.275 -4.273) 15.434 19.404 ( -7.615 1.362 -2.362) 8.088 20.395 ( 8.718 -4.085 2.209) 9.878 20.665 ( -1.124 -2.200 0.404) 2.503 20.921 ( 2.914 -8.107 -0.310) 8.620 21.251 ( -4.994 -13.872 0.286) 14.746 27.939 ( -1.953 1.353 -0.782) 2.502 28.036 ( 1.812 1.160 2.141) 3.035 37.781 ( -6.051 11.036 -4.722) 13.443 38.658 ( 9.403 -2.934 5.496) 11.279 39.653 ( -11.351 6.190 -13.265) 18.524 40.650 ( 23.122 3.970 0.460) 23.465 ======================= Grid point 404 (147/231) ======================= q-point: (-0.23 0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.462 ( -40.455 -12.869 10.015) 43.618 7.867 ( -0.473 -4.019 -1.594) 4.350 8.017 ( -15.147 -16.370 7.653) 23.579 9.132 ( 12.782 28.806 7.604) 32.419 9.287 ( 16.442 -16.553 -4.517) 23.765 9.799 ( 6.763 4.842 -16.789) 18.736 9.968 ( 1.770 7.612 -10.326) 12.950 11.077 ( -17.921 5.920 -1.527) 18.935 11.490 ( -0.657 0.103 -3.134) 3.204 11.670 ( 35.994 16.941 -12.380) 41.663 12.399 ( -3.226 -9.972 0.693) 10.503 12.671 ( -17.655 -0.577 -3.990) 18.110 13.053 ( -26.640 -4.250 16.745) 31.751 13.405 ( 3.847 -11.341 -0.691) 11.996 13.887 ( 11.626 -20.169 10.358) 25.480 14.831 ( -4.849 4.788 -0.298) 6.821 15.208 ( 7.132 9.175 10.341) 15.556 15.400 ( 3.619 -0.169 9.559) 10.222 19.139 ( -6.474 4.170 -5.371) 9.389 19.470 ( 3.665 14.138 -0.778) 14.626 20.431 ( -2.250 0.103 1.750) 2.852 20.657 ( 4.072 -1.995 0.940) 4.630 20.975 ( 10.208 -8.934 -2.396) 13.776 21.094 ( 0.116 -8.477 1.110) 8.550 27.906 ( -1.764 -0.336 -0.427) 1.846 28.081 ( 0.292 1.275 1.792) 2.218 37.734 ( -7.977 8.708 -3.589) 12.342 38.750 ( 2.578 -4.421 2.402) 5.653 39.406 ( -16.291 4.680 -7.111) 18.381 41.059 ( 21.783 1.274 -3.576) 22.111 ======================= Grid point 405 (148/231) ======================= q-point: (-0.15 0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.700 ( -42.651 -12.226 18.396) 48.031 7.132 ( -44.452 -19.147 10.251) 49.474 8.210 ( 17.284 -0.228 -2.269) 17.434 9.239 ( 6.549 -6.182 -11.479) 14.590 9.777 ( 16.316 13.835 3.021) 21.604 9.849 ( -0.600 14.393 -14.543) 20.470 10.065 ( 6.350 7.676 -1.826) 10.128 10.648 ( -31.864 -9.124 -5.633) 33.620 11.420 ( -2.503 -2.012 -9.436) 9.967 12.122 ( -13.089 8.589 5.571) 16.617 12.308 ( 17.804 8.467 -2.907) 19.928 12.460 ( -0.541 -7.030 8.113) 10.749 12.856 ( -7.596 6.518 4.002) 10.780 13.424 ( 11.441 -6.438 -4.033) 13.734 14.056 ( 17.618 -11.087 8.877) 22.630 14.788 ( -2.877 3.316 0.057) 4.390 15.255 ( -9.042 -2.974 4.548) 10.550 15.577 ( 14.037 -10.511 12.912) 21.777 19.116 ( 3.186 3.461 -2.862) 5.506 19.655 ( 1.003 13.086 -2.934) 13.448 20.457 ( -0.298 7.841 4.490) 9.040 20.705 ( 4.141 -4.393 -0.256) 6.043 21.019 ( 10.660 -12.896 -4.244) 17.261 21.125 ( 6.287 0.184 3.885) 7.393 27.871 ( -1.329 -1.331 0.143) 1.886 28.085 ( -1.914 0.917 0.736) 2.246 37.646 ( -9.374 7.126 -1.771) 11.908 38.672 ( -4.644 -7.306 -4.323) 9.677 39.133 ( -19.361 6.571 1.428) 20.496 41.365 ( 17.890 -1.276 -10.690) 20.880 ======================= Grid point 412 (149/231) ======================= q-point: ( 0.38 0.38 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.360 ( -0.000 42.687 35.400) 55.455 6.119 ( -0.000 51.607 39.023) 64.699 7.511 ( 0.000 9.746 -28.282) 29.914 7.988 ( -0.000 50.679 39.831) 64.458 8.974 ( 0.000 -9.123 -37.430) 38.526 9.559 ( -0.000 -15.870 4.108) 16.393 10.766 ( -0.000 10.061 14.854) 17.941 10.824 ( -0.000 -20.882 -6.596) 21.899 11.388 ( -0.000 -7.164 4.000) 8.205 11.919 ( 0.000 2.130 -19.976) 20.089 12.635 ( -0.000 4.166 11.352) 12.092 12.803 ( 0.000 -24.195 -10.634) 26.429 13.444 ( -0.000 8.368 5.697) 10.123 13.675 ( -0.000 -22.897 9.760) 24.890 14.411 ( -0.000 3.480 11.207) 11.735 14.414 ( 0.000 10.717 -4.959) 11.809 15.057 ( 0.000 -9.602 -8.314) 12.701 16.508 ( 0.000 17.331 -18.893) 25.638 19.615 ( -0.000 -23.612 -5.382) 24.217 19.694 ( -0.000 -13.715 5.115) 14.638 20.430 ( 0.000 11.369 -1.107) 11.423 20.847 ( 0.000 -1.960 -4.080) 4.527 22.107 ( -0.000 -17.684 15.064) 23.231 22.296 ( -0.000 -46.680 13.741) 48.660 27.747 ( 0.000 8.132 1.556) 8.279 27.931 ( 0.000 0.100 -2.218) 2.220 37.148 ( 0.000 2.993 -0.148) 2.996 37.874 ( 0.000 16.020 -1.304) 16.073 38.405 ( 0.000 21.083 3.544) 21.379 40.081 ( 0.000 34.294 -31.934) 46.860 ======================= Grid point 413 (150/231) ======================= q-point: ( 0.46 0.38 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.034 ( 7.820 38.601 34.044) 52.060 6.689 ( -13.660 50.174 35.415) 62.914 7.575 ( 13.991 11.549 -26.950) 32.488 8.695 ( 8.363 -13.660 -29.429) 33.505 8.945 ( 24.455 36.559 26.231) 51.212 9.403 ( -0.862 -15.348 3.569) 15.781 10.365 ( -19.806 -12.571 -2.457) 23.587 10.979 ( 2.373 -3.294 3.473) 5.343 11.326 ( 0.625 -10.719 0.637) 10.756 11.890 ( -0.796 13.016 -15.459) 20.225 12.416 ( -3.434 -9.911 -0.182) 10.491 12.929 ( 10.417 -2.273 2.435) 10.937 13.356 ( -7.543 -5.700 11.627) 14.985 13.628 ( 5.217 -16.059 5.288) 17.694 14.475 ( -0.504 11.176 -6.427) 12.902 14.592 ( 4.334 2.729 10.257) 11.464 14.883 ( -3.470 -4.166 -7.460) 9.222 16.388 ( -16.862 7.836 -14.107) 23.340 19.382 ( 2.604 -21.657 -4.086) 22.193 19.590 ( 0.546 -9.856 2.790) 10.258 20.488 ( -5.384 10.265 -1.087) 11.642 20.732 ( -7.421 -1.690 -3.702) 8.464 21.902 ( -3.309 -33.801 9.570) 35.285 21.956 ( -5.806 -22.125 11.426) 25.569 27.826 ( -0.349 5.859 1.193) 5.990 27.945 ( 2.031 1.860 -1.759) 3.268 37.309 ( 14.132 2.591 0.666) 14.383 37.982 ( -4.591 16.337 -1.345) 17.023 38.758 ( 13.198 19.145 5.096) 23.805 40.198 ( -1.564 24.777 -27.105) 36.756 ======================= Grid point 414 (151/231) ======================= q-point: ( 0.54 0.38 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.722 ( 8.269 29.991 33.478) 45.701 7.153 ( -7.347 50.595 25.392) 57.084 7.903 ( 22.260 12.865 -16.943) 30.791 8.572 ( 18.592 -17.182 -31.655) 40.533 9.122 ( -10.102 -14.525 3.455) 18.027 9.633 ( 1.004 -11.567 3.896) 12.247 10.097 ( 1.484 12.062 6.704) 13.879 10.818 ( -8.582 -15.335 -2.154) 17.704 11.259 ( 3.993 -1.967 1.005) 4.563 11.933 ( -4.278 17.226 -11.806) 21.317 12.467 ( 16.250 -7.297 3.063) 18.075 12.872 ( -13.214 -2.904 3.706) 14.028 13.472 ( 8.025 5.587 15.173) 18.051 13.518 ( 1.718 -20.652 3.780) 21.066 14.385 ( -8.297 -10.992 -6.433) 15.200 14.636 ( -3.432 20.781 -10.194) 23.400 14.970 ( 8.048 -0.280 9.629) 12.553 15.987 ( -25.708 1.237 -7.213) 26.729 19.244 ( 4.181 -15.382 0.557) 15.950 19.574 ( 4.617 -2.702 -3.134) 6.200 20.432 ( -10.864 7.555 0.244) 13.235 20.573 ( -6.017 -0.880 -3.119) 6.834 21.582 ( -1.936 -30.009 5.412) 30.554 21.662 ( -11.866 -16.047 6.920) 21.123 27.873 ( 0.850 2.436 1.363) 2.917 27.999 ( 1.141 3.868 -1.592) 4.336 37.641 ( 18.978 2.497 2.339) 19.284 38.046 ( -3.745 14.498 -3.360) 15.347 39.237 ( 18.088 14.550 6.513) 24.110 40.215 ( -4.253 16.706 -21.366) 27.453 ======================= Grid point 415 (152/231) ======================= q-point: ( 0.62 0.38 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.230 ( 0.636 24.586 26.239) 35.963 7.766 ( 8.140 42.478 18.590) 47.076 8.179 ( 3.505 -0.421 -9.838) 10.452 8.674 ( 1.616 -17.582 -7.313) 19.110 8.849 ( 16.560 4.651 -9.440) 19.622 9.381 ( 6.237 -25.771 -13.479) 29.745 10.156 ( -7.667 -0.427 1.103) 7.758 10.446 ( -12.259 -14.333 -5.421) 19.624 11.532 ( 17.263 3.987 6.707) 18.944 11.920 ( -8.492 14.479 -10.075) 19.577 12.591 ( -20.951 3.156 5.437) 21.874 12.744 ( 20.395 -9.991 2.117) 22.809 13.343 ( 1.415 -22.363 7.381) 23.592 13.626 ( -8.630 -0.986 3.605) 9.404 14.250 ( 8.734 2.281 4.173) 9.945 14.751 ( -3.558 21.903 -11.213) 24.862 15.070 ( -2.022 -4.111 11.041) 11.954 15.538 ( -19.641 -1.478 -3.651) 20.032 19.228 ( 3.867 -4.993 4.543) 7.779 19.624 ( 3.232 3.473 -9.776) 10.867 20.299 ( -9.926 1.944 4.231) 10.963 20.501 ( 1.094 -1.183 -3.340) 3.708 21.258 ( -11.104 -18.041 5.078) 21.784 21.373 ( -4.248 -17.601 0.862) 18.127 27.929 ( 2.441 1.352 1.869) 3.359 28.026 ( -1.141 3.132 -1.624) 3.708 37.952 ( 3.791 10.394 2.720) 11.393 38.148 ( 10.717 3.619 -3.828) 11.941 39.702 ( 15.892 10.863 5.108) 19.916 40.166 ( -3.367 9.547 -14.550) 17.725 ======================= Grid point 416 (153/231) ======================= q-point: ( 0.69 0.38 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.524 ( -7.025 14.168 11.717) 19.681 7.860 ( -24.204 -0.122 6.159) 24.976 8.345 ( 6.623 -2.268 3.416) 7.789 8.528 ( 12.718 2.319 4.864) 13.813 9.064 ( 5.627 -14.260 -7.435) 17.038 9.504 ( 18.701 12.085 -13.072) 25.819 10.081 ( -2.579 2.966 -9.020) 9.839 10.200 ( 15.768 -5.359 -5.583) 17.565 11.709 ( -10.100 7.911 -2.182) 13.014 11.882 ( 0.706 -0.243 -1.526) 1.698 12.315 ( -15.331 1.397 8.036) 17.366 12.905 ( 9.960 -11.155 -4.545) 15.630 13.237 ( 4.528 -20.075 10.692) 23.191 13.372 ( -8.237 -7.548 -2.992) 11.566 14.528 ( -13.825 3.741 6.255) 15.628 14.695 ( 1.925 6.650 5.331) 8.738 15.077 ( -2.503 13.256 1.562) 13.581 15.333 ( -0.550 -3.896 -0.074) 3.935 19.322 ( 3.596 5.465 4.335) 7.848 19.574 ( -8.964 6.834 -11.124) 15.837 20.247 ( 2.650 -4.123 6.511) 8.149 20.533 ( 6.620 -3.397 -3.490) 8.218 20.958 ( -10.349 -7.833 2.668) 13.250 21.155 ( -2.054 -15.697 -0.579) 15.841 27.991 ( -0.402 2.167 0.391) 2.239 28.016 ( 0.657 0.453 0.255) 0.837 38.011 ( -7.889 13.080 -0.501) 15.283 38.407 ( 16.566 -2.930 -1.037) 16.855 39.889 ( -9.560 11.768 -3.280) 15.512 40.292 ( 19.517 1.002 -2.718) 19.731 ======================= Grid point 417 (154/231) ======================= q-point: (-0.23 0.38 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.101 ( -37.890 -6.310 10.893) 39.927 7.845 ( 0.027 9.560 4.890) 10.738 8.163 ( -9.838 -17.579 1.732) 20.219 8.728 ( 18.106 -23.206 -10.700) 31.318 9.257 ( 9.555 19.718 15.362) 26.759 9.654 ( 4.590 6.117 -13.007) 15.089 10.032 ( -2.522 17.612 -14.216) 22.774 10.884 ( 46.018 11.539 -8.221) 48.150 11.492 ( -16.226 3.440 -6.667) 17.877 11.756 ( -14.758 5.313 6.326) 16.912 12.227 ( 3.997 -13.363 5.894) 15.143 12.839 ( -3.696 -0.236 -11.407) 11.993 13.187 ( 6.227 -19.777 7.084) 21.910 13.245 ( 0.492 -8.706 3.913) 9.557 14.039 ( -32.573 -4.403 11.817) 34.929 14.878 ( 2.856 -1.738 -0.214) 3.350 15.230 ( 4.459 9.911 4.854) 11.902 15.377 ( 3.744 -0.468 3.346) 5.043 19.352 ( -13.992 7.707 -7.273) 17.552 19.523 ( 5.298 9.212 3.243) 11.110 20.351 ( 8.572 -2.878 4.512) 10.105 20.593 ( 7.295 -5.472 -3.108) 9.634 20.776 ( -5.330 -4.400 -1.597) 7.093 21.013 ( 1.052 -9.133 1.190) 9.270 27.953 ( -3.449 1.141 -0.683) 3.697 28.069 ( 2.577 -0.255 1.472) 2.979 37.974 ( -9.554 10.436 -0.004) 14.148 38.588 ( 9.660 -4.899 -3.080) 11.261 39.748 ( -16.183 10.373 0.021) 19.222 40.652 ( 22.541 -1.521 -4.165) 22.973 ======================= Grid point 418 (155/231) ======================= q-point: (-0.15 0.38 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.436 ( -41.150 -5.545 17.906) 45.218 7.678 ( -29.912 -10.739 6.448) 32.429 8.020 ( 8.550 4.395 4.222) 10.500 8.768 ( 19.715 -19.199 -14.840) 31.265 9.649 ( 10.468 5.497 1.949) 11.983 9.816 ( 13.810 7.158 2.657) 15.780 10.143 ( -3.290 31.918 -21.903) 38.850 11.121 ( -25.270 -0.297 -4.899) 25.742 11.354 ( 1.011 -0.722 -6.516) 6.633 11.992 ( 27.160 15.884 -0.303) 31.465 12.202 ( 6.275 -13.310 7.187) 16.376 12.686 ( -13.608 8.709 -5.858) 17.185 13.123 ( -5.823 -3.746 1.684) 7.125 13.138 ( 1.518 -14.364 6.530) 15.852 13.731 ( 1.341 -10.768 17.248) 20.377 14.846 ( -0.813 -2.405 -2.509) 3.569 15.368 ( 0.484 -9.552 3.733) 10.266 15.393 ( 0.118 1.124 3.765) 3.931 19.180 ( -7.923 4.956 -3.316) 9.916 19.735 ( 4.164 11.140 1.677) 12.011 20.480 ( 4.762 -6.169 0.966) 7.853 20.646 ( -2.969 3.391 -0.759) 4.570 20.678 ( 12.664 -8.202 -3.604) 15.513 21.037 ( 5.758 -1.576 3.067) 6.711 27.904 ( -2.897 0.441 0.103) 2.933 28.098 ( 0.704 -0.994 0.490) 1.313 37.898 ( -10.469 8.382 1.621) 13.509 38.594 ( 1.207 -7.396 -6.695) 10.049 39.572 ( -18.333 11.738 5.222) 22.386 40.956 ( 19.843 -3.594 -10.020) 22.518 ======================= Grid point 426 (156/231) ======================= q-point: ( 0.46 0.46 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.531 ( -0.000 35.947 32.795) 48.659 7.430 ( 0.000 14.995 -25.529) 29.607 7.504 ( -0.000 43.763 34.317) 55.613 8.303 ( 0.000 -14.472 -29.087) 32.489 9.116 ( -0.000 -3.360 3.354) 4.747 9.343 ( -0.000 16.168 19.322) 25.194 10.499 ( 0.000 -3.606 -2.590) 4.440 10.876 ( -0.000 -12.458 4.062) 13.104 11.201 ( -0.000 -7.658 -2.389) 8.022 11.849 ( 0.000 -10.072 -10.963) 14.887 12.393 ( 0.000 9.597 -11.784) 15.198 12.912 ( -0.000 8.378 11.925) 14.574 13.213 ( -0.000 -29.094 10.940) 31.082 13.680 ( -0.000 4.879 9.537) 10.713 14.516 ( 0.000 2.935 -5.817) 6.515 14.644 ( -0.000 5.919 7.127) 9.264 14.857 ( 0.000 2.981 -8.990) 9.471 16.494 ( 0.000 1.573 -16.237) 16.313 19.117 ( -0.000 -19.797 -4.948) 20.406 19.484 ( -0.000 -12.002 3.994) 12.649 20.618 ( 0.000 7.692 -1.127) 7.775 20.759 ( 0.000 -1.498 -4.785) 5.014 21.638 ( -0.000 -31.183 8.047) 32.204 21.877 ( -0.000 -18.928 9.687) 21.263 27.913 ( 0.000 7.113 0.585) 7.137 27.915 ( 0.000 0.216 -1.351) 1.368 37.215 ( 0.000 3.561 0.200) 3.567 38.204 ( 0.000 14.827 4.338) 15.448 38.854 ( 0.000 19.766 2.416) 19.913 40.299 ( 0.000 20.125 -22.362) 30.084 ======================= Grid point 427 (157/231) ======================= q-point: ( 0.54 0.46 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.080 ( 4.898 29.085 29.359) 41.616 7.608 ( 16.300 17.982 -18.764) 30.678 7.896 ( -1.850 12.834 9.024) 15.798 8.140 ( -5.440 15.702 -3.420) 16.966 8.955 ( 2.414 -21.154 -4.045) 21.672 9.674 ( -2.779 0.746 10.066) 10.469 10.358 ( -11.381 13.854 5.502) 18.754 10.726 ( -1.592 -16.133 -3.078) 16.501 11.160 ( 1.456 -5.702 -4.397) 7.346 11.758 ( 17.587 -17.581 -7.626) 26.010 12.445 ( -7.003 21.127 -6.719) 23.250 12.889 ( -0.303 -25.363 10.815) 27.574 13.319 ( 12.482 11.422 10.851) 20.100 13.663 ( -9.367 0.437 8.741) 12.820 14.416 ( -7.629 -5.770 -4.795) 10.700 14.775 ( 3.798 8.838 -2.365) 9.906 14.888 ( 2.529 7.488 -3.965) 8.842 16.266 ( -13.968 -3.851 -13.334) 19.691 18.975 ( 6.727 -14.947 -2.121) 16.528 19.431 ( 3.978 -8.295 1.862) 9.386 20.597 ( -5.843 0.358 -1.636) 6.078 20.709 ( -4.202 4.392 -3.160) 6.851 21.371 ( -3.618 -23.276 4.590) 23.999 21.693 ( -5.704 -17.467 7.031) 19.674 27.896 ( -0.838 0.945 0.070) 1.265 28.006 ( 2.066 5.036 -0.839) 5.507 37.369 ( 13.194 2.728 0.579) 13.485 38.307 ( -6.602 13.776 4.476) 15.918 39.154 ( 11.474 14.989 2.635) 19.060 40.340 ( -3.350 15.915 -16.434) 23.121 ======================= Grid point 428 (158/231) ======================= q-point: ( 0.62 0.46 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.556 ( 4.838 18.697 21.506) 28.905 7.920 ( 10.381 -9.422 -12.811) 18.991 8.114 ( 27.486 19.116 -10.855) 35.195 8.347 ( -9.239 34.571 17.191) 39.699 8.780 ( 2.627 -17.986 -1.592) 18.246 9.314 ( -23.884 -12.168 1.127) 26.829 10.308 ( -10.126 1.536 -2.765) 10.608 10.485 ( -10.602 -11.242 -4.392) 16.065 11.259 ( 16.865 0.180 0.989) 16.895 11.948 ( 17.802 -7.462 -5.885) 20.180 12.475 ( -3.406 7.150 -2.273) 8.239 12.724 ( 0.489 -17.770 10.386) 20.588 13.415 ( -14.578 0.939 5.932) 15.766 13.759 ( 1.477 6.231 7.617) 9.951 14.193 ( -1.438 -0.389 -1.178) 1.899 14.892 ( 2.341 7.859 -7.639) 11.207 15.006 ( 5.075 4.695 -0.683) 6.948 15.851 ( -20.403 -4.676 -9.214) 22.870 19.031 ( 12.006 -8.036 3.219) 14.801 19.472 ( 7.536 -3.569 -2.538) 8.716 20.486 ( -4.760 0.086 -2.422) 5.341 20.615 ( -12.051 6.595 -1.490) 13.818 21.124 ( -2.022 -19.965 2.977) 20.287 21.424 ( -10.509 -13.573 3.889) 17.601 27.909 ( 1.377 0.243 0.975) 1.705 28.064 ( 0.060 3.853 -1.518) 4.142 37.688 ( 20.041 1.154 0.432) 20.079 38.326 ( -8.486 12.632 2.889) 15.490 39.527 ( 16.339 7.739 2.604) 18.266 40.319 ( -7.274 13.192 -9.663) 17.898 ======================= Grid point 429 (159/231) ======================= q-point: ( 0.69 0.46 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.837 ( 0.325 11.056 10.025) 14.928 7.945 ( 11.427 -10.437 -11.984) 19.573 8.374 ( -4.083 -8.710 -1.499) 9.735 8.446 ( -23.029 -1.854 9.753) 25.078 9.025 ( 37.411 15.759 -5.507) 40.966 9.031 ( 0.082 9.423 11.496) 14.865 10.101 ( -10.141 -5.149 -5.091) 12.460 10.210 ( -8.124 9.455 -7.765) 14.686 11.559 ( 16.565 -6.392 3.678) 18.133 12.030 ( -3.620 4.338 -8.017) 9.808 12.461 ( 9.797 -17.582 2.024) 20.229 12.639 ( -7.541 -3.570 8.149) 11.662 13.209 ( -9.525 -3.335 6.122) 11.803 13.525 ( -17.264 -3.922 -5.404) 18.510 14.481 ( 15.945 4.318 6.353) 17.699 14.873 ( -5.148 -2.347 -3.056) 6.431 15.162 ( 4.795 10.221 -2.122) 11.488 15.437 ( -16.666 -0.880 -5.643) 17.617 19.225 ( 12.262 -2.634 6.870) 14.300 19.571 ( 6.946 2.315 -7.734) 10.650 20.395 ( -10.786 3.152 2.074) 11.427 20.453 ( -5.276 1.394 -3.375) 6.416 20.947 ( 0.145 -15.984 3.671) 16.400 21.140 ( -10.521 -7.967 -0.065) 13.197 27.955 ( 3.111 -0.525 1.349) 3.431 28.067 ( -2.273 2.666 -1.562) 3.836 38.042 ( 19.836 -0.714 -0.819) 19.865 38.304 ( -9.071 10.588 2.305) 14.131 39.886 ( 19.084 1.429 0.396) 19.141 40.249 ( -11.016 11.929 -2.903) 16.495 ======================= Grid point 430 (160/231) ======================= q-point: (-0.23 0.46 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.739 ( -30.488 0.935 10.656) 32.310 7.942 ( 11.602 -22.151 -11.891) 27.689 8.090 ( -13.146 7.110 6.492) 16.295 8.207 ( 8.130 -16.493 -7.207) 19.750 9.324 ( 8.629 6.099 19.603) 22.270 9.622 ( 2.465 10.870 -14.833) 18.554 10.177 ( 33.663 8.398 4.385) 34.971 10.302 ( -0.473 33.263 -10.414) 34.858 11.706 ( 7.678 -12.884 6.946) 16.529 11.834 ( -15.128 2.555 -8.452) 17.517 12.413 ( -19.050 1.501 8.526) 20.925 12.520 ( 14.877 -18.090 -3.501) 23.682 13.119 ( -0.259 -6.259 5.562) 8.378 13.221 ( -9.540 -2.594 -5.892) 11.509 14.587 ( -24.932 -1.969 5.405) 25.587 14.671 ( 10.524 -13.782 -3.994) 17.795 15.314 ( 0.734 7.778 0.219) 7.816 15.318 ( 2.675 4.042 -0.123) 4.848 19.457 ( 11.500 0.171 6.894) 13.409 19.598 ( -6.377 8.201 -9.779) 14.267 20.281 ( -2.556 -1.186 8.732) 9.175 20.415 ( 1.752 -1.335 -7.162) 7.493 20.865 ( 0.657 -6.954 3.796) 7.950 20.920 ( -6.378 -3.827 -2.715) 7.918 28.012 ( 3.561 -1.403 1.011) 3.959 28.029 ( -3.696 1.775 -0.941) 4.207 38.250 ( -9.897 8.765 3.281) 13.622 38.312 ( 14.623 -3.855 -3.660) 15.559 40.146 ( -14.446 13.638 3.838) 20.234 40.220 ( 21.196 -4.100 -4.348) 22.023 ======================= Grid point 431 (161/231) ======================= q-point: (-0.15 0.46 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.190 ( -38.256 -0.138 15.841) 41.406 7.837 ( 9.680 -19.894 -5.447) 22.784 8.039 ( -7.430 3.305 4.637) 9.361 8.226 ( 10.950 -7.284 -8.339) 15.572 9.572 ( 3.010 4.736 -2.460) 6.127 9.641 ( 10.387 0.924 3.134) 10.889 10.520 ( -7.709 41.835 -12.055) 44.215 11.044 ( 33.567 8.839 -3.435) 34.881 11.464 ( -17.931 2.200 -5.078) 18.766 11.778 ( 10.957 -13.997 8.068) 19.520 12.173 ( -12.663 4.693 7.066) 15.242 12.589 ( 14.404 -13.449 -7.708) 21.161 13.026 ( -7.203 -0.033 -2.011) 7.479 13.146 ( 4.161 -5.893 4.651) 8.583 14.132 ( -29.867 -1.141 15.498) 33.667 14.642 ( 10.016 -16.796 -8.429) 21.295 15.341 ( -2.757 -0.735 1.469) 3.209 15.400 ( 1.866 -1.431 0.576) 2.421 19.424 ( -14.875 6.581 -4.426) 16.857 19.688 ( 11.298 -1.515 5.887) 12.829 20.342 ( 0.047 -2.577 -3.292) 4.181 20.425 ( 10.108 -0.807 0.107) 10.141 20.778 ( -6.145 5.089 -1.085) 8.052 20.922 ( 6.721 -2.869 2.031) 7.584 27.974 ( -3.911 1.309 0.056) 4.125 28.052 ( 2.675 -2.365 0.154) 3.574 38.172 ( -10.349 6.590 4.388) 13.030 38.417 ( 6.767 -6.630 -6.186) 11.315 40.040 ( -16.794 14.377 7.127) 23.227 40.508 ( 20.891 -5.371 -8.721) 23.267 ======================= Grid point 440 (162/231) ======================= q-point: ( 0.54 0.54 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.393 ( -0.000 14.646 11.455) 18.594 7.589 ( 0.000 24.309 -5.683) 24.965 7.728 ( 0.000 -7.508 -12.160) 14.291 8.706 ( -0.000 30.146 23.785) 38.400 8.710 ( -0.000 -16.780 -1.824) 16.879 9.783 ( -0.000 1.259 8.116) 8.214 10.573 ( -0.000 -10.813 -1.148) 10.874 10.708 ( 0.000 18.109 5.221) 18.846 11.055 ( 0.000 -6.122 -8.943) 10.838 11.246 ( -0.000 -27.060 -9.665) 28.734 12.657 ( -0.000 -30.329 13.098) 33.036 12.727 ( 0.000 23.626 -8.027) 24.952 13.404 ( -0.000 17.004 11.077) 20.294 13.786 ( -0.000 -4.080 6.862) 7.984 14.433 ( 0.000 -2.616 -3.046) 4.015 14.723 ( 0.000 -2.114 -1.720) 2.726 14.975 ( 0.000 16.078 -10.064) 18.968 16.241 ( 0.000 -7.654 -15.275) 17.086 18.764 ( -0.000 -10.898 -1.561) 11.009 19.327 ( -0.000 -7.780 3.271) 8.439 20.657 ( -0.000 -5.371 2.471) 5.913 20.698 ( 0.000 1.169 -4.806) 4.946 21.287 ( -0.000 -8.650 1.003) 8.708 21.599 ( -0.000 -17.133 5.581) 18.019 27.908 ( 0.000 0.164 -0.584) 0.607 28.032 ( 0.000 4.746 -0.574) 4.780 37.288 ( -0.000 2.959 1.239) 3.208 38.529 ( -0.000 9.255 9.829) 13.500 39.187 ( 0.000 12.620 -3.092) 12.994 40.452 ( 0.000 15.352 -9.773) 18.198 ======================= Grid point 441 (163/231) ======================= q-point: ( 0.62 0.54 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.553 ( 7.756 -3.988 -5.399) 10.258 7.676 ( 3.781 0.844 -2.312) 4.512 7.920 ( 15.516 19.753 -3.973) 25.431 8.649 ( 0.035 -1.568 11.065) 11.176 8.923 ( -10.484 13.821 15.610) 23.337 9.626 ( -19.134 -7.498 4.456) 21.028 10.521 ( -3.877 -1.292 -1.670) 4.414 10.550 ( -16.567 1.579 -4.765) 17.311 11.016 ( 9.603 0.774 -3.611) 10.289 11.385 ( 26.079 -9.873 -2.642) 28.011 12.472 ( 2.512 -25.726 14.183) 29.484 12.793 ( -9.087 16.931 -6.809) 20.386 13.664 ( -8.998 -2.795 4.136) 10.290 13.750 ( 11.561 7.985 6.623) 15.533 14.297 ( -10.666 -1.842 -1.713) 10.959 14.726 ( 6.551 -5.834 -4.645) 9.927 15.084 ( 0.395 17.070 -9.929) 19.751 15.990 ( -9.969 -6.678 -13.834) 18.313 18.775 ( 9.882 -4.691 2.287) 11.175 19.317 ( 4.613 -5.206 1.706) 7.162 20.550 ( -4.180 -3.651 0.384) 5.563 20.717 ( 1.169 -1.130 -1.724) 2.369 21.139 ( -10.545 -2.590 -0.756) 10.885 21.436 ( -4.068 -13.932 3.653) 14.966 27.904 ( -0.126 0.051 0.126) 0.185 28.080 ( 1.053 3.201 -1.367) 3.636 37.427 ( 11.669 1.860 1.477) 11.908 38.598 ( -6.753 7.243 9.114) 13.458 39.352 ( 10.252 5.156 -4.379) 12.282 40.531 ( -4.465 15.349 -2.769) 16.223 ======================= Grid point 442 (164/231) ======================= q-point: (-0.31 -0.46 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.507 ( 9.718 -21.397 -14.141) 27.427 7.769 ( 7.572 0.705 -3.203) 8.252 8.535 ( 21.782 24.315 1.625) 32.686 8.584 ( -7.087 -4.254 3.175) 8.854 8.940 ( -12.362 1.903 20.285) 23.831 9.225 ( -12.762 -2.162 6.742) 14.594 10.197 ( -11.392 -7.174 -10.391) 17.007 10.551 ( -10.476 28.825 2.746) 30.792 11.242 ( 14.808 -4.435 2.017) 15.589 11.681 ( 21.520 -10.768 -3.872) 24.374 12.395 ( 1.820 -13.322 11.058) 17.409 12.724 ( -7.882 5.676 -2.815) 10.113 13.432 ( -13.164 -4.789 2.711) 14.268 13.784 ( -15.223 -4.375 -3.929) 16.319 14.224 ( 9.770 -6.595 -2.425) 12.034 14.794 ( 6.885 -0.434 -0.762) 6.941 15.212 ( 1.740 14.766 -8.369) 17.061 15.661 ( -14.162 -1.755 -10.087) 17.476 18.989 ( 14.170 -2.022 5.999) 15.520 19.404 ( 8.952 -0.438 -1.385) 9.069 20.472 ( -2.916 1.214 -2.040) 3.760 20.679 ( -4.245 -0.341 -0.462) 4.283 20.903 ( -12.273 -3.496 1.036) 12.803 21.227 ( -7.959 -8.901 1.376) 12.020 27.913 ( 1.399 -0.668 0.676) 1.691 28.105 ( -0.284 2.073 -1.706) 2.700 37.704 ( 17.576 0.011 0.416) 17.581 38.572 ( -8.615 6.034 6.779) 12.513 39.565 ( 15.384 -2.424 -3.998) 16.078 40.569 ( -9.044 15.331 2.982) 18.048 ======================= Grid point 443 (165/231) ======================= q-point: (-0.23 -0.46 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.344 ( 13.195 -31.498 -17.440) 38.346 7.915 ( 9.500 1.738 -3.084) 10.138 8.194 ( -15.921 -10.663 -2.191) 19.286 8.547 ( -29.971 1.126 9.856) 31.570 9.344 ( 9.189 7.450 14.366) 18.610 9.436 ( 30.417 21.510 4.786) 37.560 9.936 ( -4.139 -1.959 -3.535) 5.785 10.774 ( -7.559 39.781 4.825) 40.780 11.396 ( 11.548 -13.336 4.386) 18.178 11.871 ( 13.984 -7.493 -7.048) 17.361 12.290 ( -10.382 -2.387 -1.324) 10.735 12.665 ( -1.202 -3.215 8.806) 9.452 13.176 ( -11.941 -5.318 2.728) 13.353 13.399 ( -17.025 -1.871 -8.841) 19.275 14.234 ( 12.067 -21.918 -10.879) 27.283 14.850 ( -4.593 -0.922 2.391) 5.259 15.321 ( 0.550 9.285 -5.264) 10.688 15.430 ( -6.690 2.622 -2.712) 7.681 19.233 ( 13.626 -5.017 6.458) 15.891 19.589 ( 8.929 7.140 -4.425) 12.259 20.435 ( -3.754 5.352 -5.302) 8.417 20.527 ( -15.936 3.119 4.391) 16.821 20.740 ( 1.323 -8.846 2.850) 9.388 21.035 ( -7.607 -1.813 -1.309) 7.929 27.943 ( 2.778 -1.728 0.577) 3.323 28.092 ( -2.173 1.450 -1.226) 2.886 37.991 ( 16.552 -2.623 -1.817) 16.857 38.507 ( -8.995 4.360 5.801) 11.558 39.792 ( 19.118 -6.416 -4.379) 20.636 40.557 ( -12.845 15.077 6.532) 20.856 ======================= Grid point 454 (166/231) ======================= q-point: (-0.38 -0.38 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.339 ( 0.000 -20.402 -11.202) 23.275 7.694 ( -0.000 8.971 4.224) 9.915 7.900 ( 0.000 16.273 -5.458) 17.164 8.842 ( -0.000 14.163 24.154) 28.000 9.048 ( -0.000 -12.864 0.735) 12.885 9.801 ( -0.000 -4.782 6.191) 7.823 10.403 ( 0.000 -18.264 -14.020) 23.024 10.812 ( -0.000 16.735 7.010) 18.144 10.971 ( 0.000 -1.710 -4.008) 4.357 11.097 ( 0.000 16.468 1.646) 16.550 12.266 ( -0.000 -26.200 16.755) 31.099 12.995 ( 0.000 11.816 -9.507) 15.165 13.656 ( -0.000 -6.623 -1.913) 6.894 13.707 ( -0.000 -7.724 3.473) 8.469 14.396 ( -0.000 0.449 0.425) 0.618 14.602 ( 0.000 0.821 -5.833) 5.891 15.182 ( 0.000 14.586 -9.605) 17.465 15.931 ( 0.000 -3.604 -16.539) 16.928 18.689 ( -0.000 2.047 4.519) 4.961 19.238 ( -0.000 -4.727 2.231) 5.228 20.514 ( -0.000 -10.016 3.277) 10.538 20.710 ( 0.000 4.752 -3.497) 5.900 21.252 ( 0.000 2.939 -1.733) 3.412 21.343 ( -0.000 -12.397 2.071) 12.569 27.909 ( 0.000 0.287 -0.060) 0.293 28.085 ( 0.000 1.689 -1.565) 2.302 37.356 ( -0.000 1.402 2.846) 3.173 38.770 ( -0.000 1.364 13.697) 13.765 39.251 ( 0.000 1.645 -10.106) 10.239 40.730 ( 0.000 16.406 2.848) 16.652 ======================= Grid point 455 (167/231) ======================= q-point: (-0.31 -0.38 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.034 ( 4.549 -31.238 -16.847) 35.781 7.777 ( -3.407 10.801 3.550) 11.869 8.308 ( 22.693 18.043 6.787) 29.776 8.707 ( -10.615 -21.572 -7.566) 25.205 9.168 ( 2.374 10.726 25.760) 28.004 9.562 ( -20.974 -3.193 4.285) 21.644 10.181 ( -1.931 -6.509 -14.476) 15.989 10.960 ( 8.909 -3.515 -4.215) 10.464 11.093 ( -5.988 29.449 14.260) 33.263 11.352 ( 9.270 7.688 -0.437) 12.051 12.185 ( 8.422 -21.462 16.218) 28.188 12.922 ( -9.160 3.823 -8.634) 13.155 13.548 ( 2.456 -18.930 -8.929) 21.074 13.592 ( -1.169 -11.179 -1.567) 11.349 14.289 ( -12.673 1.893 -0.502) 12.824 14.687 ( 7.114 4.409 -1.466) 8.497 15.269 ( 1.288 10.998 -8.444) 13.925 15.770 ( -6.993 3.281 -16.383) 18.113 18.841 ( 7.512 5.135 7.103) 11.543 19.262 ( 6.230 -1.381 0.805) 6.432 20.453 ( 1.473 -6.111 1.102) 6.381 20.719 ( -2.827 3.877 -1.962) 5.184 21.145 ( -10.509 1.538 -1.221) 10.691 21.250 ( -3.739 -6.028 0.773) 7.135 27.905 ( -0.480 -0.070 0.253) 0.547 28.098 ( 1.261 0.503 -1.849) 2.294 37.472 ( 10.012 0.048 2.895) 10.422 38.779 ( -6.302 -0.655 10.857) 12.570 39.277 ( 9.909 -4.602 -7.831) 13.442 40.878 ( -5.098 16.346 6.675) 18.378 ======================= Grid point 456 (168/231) ======================= q-point: (-0.23 -0.38 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.710 ( 9.074 -36.676 -18.947) 42.267 7.848 ( 0.607 3.187 0.495) 3.282 8.161 ( -8.594 -26.403 -9.207) 29.254 9.058 ( 8.602 7.570 10.345) 15.438 9.187 ( -4.131 20.028 11.769) 23.594 9.485 ( 2.555 9.924 18.741) 21.360 10.012 ( -6.317 2.703 -12.084) 13.901 11.076 ( 12.717 -11.542 -1.138) 17.211 11.279 ( -6.338 11.549 17.566) 21.957 11.625 ( 8.131 22.634 -3.481) 24.301 12.292 ( 11.010 -10.100 8.895) 17.388 12.714 ( -9.828 -3.244 -4.540) 11.302 13.301 ( -2.457 -16.407 -8.405) 18.598 13.412 ( -3.674 -13.241 -5.611) 14.843 14.037 ( -15.006 1.054 -7.391) 16.760 14.824 ( 5.336 -0.885 0.417) 5.425 15.350 ( 2.674 6.102 -6.111) 9.040 15.580 ( -10.999 5.073 -11.272) 16.546 19.040 ( 7.884 -0.655 6.056) 9.963 19.462 ( 12.124 7.500 0.313) 14.260 20.465 ( 3.657 0.159 -2.229) 4.286 20.668 ( -4.900 1.547 -0.400) 5.154 20.934 ( -17.422 2.276 2.375) 17.730 21.116 ( -5.130 -1.879 -1.513) 5.669 27.900 ( 0.547 -1.226 0.281) 1.371 28.109 ( 0.469 0.188 -1.491) 1.574 37.694 ( 14.388 -2.050 1.200) 14.582 38.698 ( -7.164 -1.470 7.211) 10.270 39.393 ( 15.339 -9.082 -4.383) 18.357 40.951 ( -9.879 15.642 8.772) 20.475 ======================= Grid point 468 (169/231) ======================= q-point: (-0.31 -0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.555 ( 0.000 -36.912 -18.767) 41.409 8.015 ( -0.000 -4.983 8.650) 9.983 8.254 ( 0.000 17.297 6.382) 18.437 8.488 ( 0.000 -16.359 -7.664) 18.066 9.413 ( -0.000 12.404 22.978) 26.112 9.754 ( -0.000 -9.083 9.535) 13.168 10.047 ( 0.000 3.782 -17.970) 18.363 10.813 ( 0.000 -0.420 -5.218) 5.235 11.432 ( 0.000 12.877 2.555) 13.128 11.530 ( -0.000 27.287 15.690) 31.477 11.932 ( -0.000 -25.705 13.876) 29.211 12.948 ( 0.000 -4.821 -10.604) 11.648 13.108 ( 0.000 -26.249 -16.781) 31.154 13.638 ( -0.000 -2.045 3.317) 3.897 14.464 ( 0.000 5.056 1.843) 5.382 14.606 ( 0.000 -2.430 -4.091) 4.758 15.294 ( 0.000 5.709 -7.564) 9.477 15.811 ( 0.000 14.111 -20.466) 24.859 18.924 ( -0.000 12.452 9.291) 15.536 19.184 ( -0.000 -1.925 0.224) 1.938 20.377 ( -0.000 -5.368 -0.053) 5.368 20.787 ( 0.000 4.662 -1.404) 4.869 21.178 ( 0.000 -3.641 -1.879) 4.098 21.306 ( 0.000 2.734 0.459) 2.772 27.919 ( 0.000 0.676 0.216) 0.710 28.066 ( 0.000 -1.476 -1.980) 2.470 37.403 ( -0.000 -0.870 4.540) 4.622 38.882 ( -0.000 -6.789 15.639) 17.049 39.066 ( 0.000 -6.554 -12.375) 14.003 41.130 ( -0.000 16.208 9.070) 18.573 ======================= Grid point 469 (170/231) ======================= q-point: (-0.23 -0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.099 ( 4.546 -40.842 -19.462) 45.470 7.657 ( -2.464 -45.132 -10.559) 46.417 8.235 ( -13.101 12.887 5.218) 19.103 8.899 ( 23.441 18.490 13.819) 32.899 9.597 ( -6.629 -0.812 5.516) 8.662 9.653 ( -2.982 8.219 22.897) 24.509 10.038 ( -0.058 9.203 -16.914) 19.255 10.795 ( 0.860 -9.422 0.176) 9.463 11.428 ( -0.849 -12.826 13.377) 18.551 11.913 ( 3.241 32.477 8.819) 33.809 11.954 ( 12.199 -5.669 1.289) 13.514 12.760 ( -5.548 -9.597 -8.523) 13.982 12.866 ( 6.917 -18.634 -15.135) 24.982 13.563 ( -9.418 0.686 3.463) 10.057 14.321 ( -13.810 0.993 -3.993) 14.410 14.686 ( 8.528 -1.402 -1.053) 8.706 15.297 ( 1.419 -0.190 -6.098) 6.264 15.785 ( -9.880 17.177 -19.098) 27.521 19.048 ( -1.871 5.714 5.670) 8.264 19.336 ( 12.446 8.177 3.124) 15.216 20.366 ( 3.843 -1.309 -2.783) 4.922 20.779 ( -4.134 2.335 -0.617) 4.787 21.137 ( -2.284 2.917 -3.503) 5.099 21.242 ( -10.396 0.929 2.690) 10.778 27.905 ( -1.779 -0.353 0.106) 1.817 28.064 ( 2.619 -1.702 -1.604) 3.511 37.490 ( 8.197 -2.380 4.229) 9.525 38.799 ( -5.307 -7.385 5.704) 10.735 39.046 ( 10.455 -11.577 -2.205) 15.754 41.294 ( -5.571 15.428 10.247) 19.341 ======================= Grid point 482 (171/231) ======================= q-point: (-0.23 -0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.530 ( 0.000 -44.256 -19.017) 48.168 7.082 ( -0.000 -56.247 -15.559) 58.359 8.691 ( -0.000 13.087 16.535) 21.087 8.831 ( -0.000 19.927 8.394) 21.623 9.491 ( -0.000 -25.593 4.290) 25.950 9.882 ( -0.000 3.028 24.750) 24.935 10.057 ( 0.000 17.480 -24.340) 29.967 10.929 ( -0.000 13.444 8.774) 16.054 11.025 ( -0.000 -48.390 6.003) 48.761 12.089 ( 0.000 31.299 -5.190) 31.726 12.160 ( -0.000 20.352 10.972) 23.121 12.613 ( 0.000 -9.510 -6.318) 11.418 12.630 ( 0.000 -14.027 -9.488) 16.934 13.689 ( -0.000 1.713 5.306) 5.575 14.342 ( 0.000 -14.172 -8.634) 16.595 14.610 ( 0.000 5.946 1.442) 6.118 15.253 ( 0.000 -1.249 -4.538) 4.706 15.998 ( 0.000 26.327 -21.997) 34.307 19.183 ( 0.000 3.094 -1.727) 3.544 19.317 ( -0.000 14.002 10.444) 17.468 20.304 ( 0.000 1.132 -5.337) 5.456 20.823 ( 0.000 0.428 -0.995) 1.083 21.176 ( 0.000 6.468 -4.551) 7.909 21.368 ( -0.000 0.775 4.603) 4.668 27.941 ( 0.000 1.192 0.309) 1.231 27.986 ( -0.000 -4.424 -1.744) 4.755 37.420 ( -0.000 -3.344 5.937) 6.814 38.744 ( 0.000 -11.595 -11.962) 16.660 38.851 ( -0.000 -13.933 15.701) 20.991 41.552 ( -0.000 14.811 10.738) 18.294 ======================= Grid point 553 (172/231) ======================= q-point: ( 0.23 0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.810 ( -0.000 0.000 54.639) 54.639 2.810 ( -0.000 0.000 54.639) 54.639 4.732 ( -0.000 0.000 89.771) 89.771 8.380 ( 0.000 -0.000 -34.539) 34.539 8.380 ( 0.000 -0.000 -34.539) 34.539 10.086 ( -0.000 0.000 16.529) 16.529 10.086 ( -0.000 0.000 16.529) 16.529 12.069 ( 0.000 -0.000 -3.385) 3.385 12.069 ( 0.000 -0.000 -3.385) 3.385 12.346 ( 0.000 -0.000 -25.078) 25.078 13.265 ( -0.000 0.000 8.782) 8.782 13.265 ( -0.000 0.000 8.782) 8.782 13.302 ( -0.000 0.000 0.360) 0.360 14.005 ( 0.000 -0.000 -21.415) 21.415 14.153 ( -0.000 0.000 0.617) 0.617 14.153 ( 0.000 0.000 0.617) 0.617 15.096 ( 0.000 -0.000 -0.555) 0.555 15.566 ( 0.000 -0.000 -4.543) 4.543 20.063 ( -0.000 0.000 4.220) 4.220 20.063 ( -0.000 0.000 4.220) 4.220 20.862 ( 0.000 -0.000 -5.106) 5.106 20.862 ( 0.000 -0.000 -5.106) 5.106 22.366 ( -0.000 0.000 25.803) 25.803 25.190 ( 0.000 -0.000 -13.467) 13.467 27.419 ( -0.000 0.000 3.730) 3.730 27.990 ( 0.000 -0.000 -3.471) 3.471 37.288 ( -0.000 0.000 0.908) 0.908 37.288 ( -0.000 0.000 0.908) 0.908 37.442 ( 0.000 -0.000 -0.938) 0.938 37.442 ( 0.000 -0.000 -0.938) 0.938 ======================= Grid point 554 (173/231) ======================= q-point: ( 0.31 0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.119 ( 14.103 8.142 47.801) 50.499 3.670 ( 27.476 15.863 52.591) 61.420 5.608 ( 34.618 19.987 79.313) 88.817 8.000 ( -0.641 -0.370 -36.781) 36.788 8.615 ( 22.139 12.782 -34.534) 42.967 9.979 ( -10.465 -6.042 14.462) 18.846 10.300 ( 2.981 1.721 19.060) 19.368 11.829 ( -13.888 -8.018 -14.912) 21.898 11.988 ( -6.115 -3.531 0.212) 7.065 12.249 ( 2.000 1.155 -25.186) 25.291 12.722 ( -27.296 -15.759 13.517) 34.294 13.172 ( -5.289 -3.054 3.554) 7.066 13.524 ( 9.362 5.405 12.101) 16.227 13.864 ( -1.306 -0.754 -15.219) 15.294 14.312 ( 6.802 3.927 1.851) 8.069 14.574 ( 16.472 9.510 -4.435) 19.530 15.169 ( 8.903 5.140 -11.000) 15.056 15.486 ( -4.388 -2.533 -5.493) 7.473 19.954 ( -8.894 -5.135 3.582) 10.877 20.145 ( 1.614 0.932 5.899) 6.186 20.728 ( -5.045 -2.913 -6.328) 8.601 20.765 ( -9.629 -5.559 -3.126) 11.549 22.428 ( -7.310 -4.220 25.049) 26.433 24.434 ( -48.956 -28.265 2.996) 56.609 27.465 ( 2.733 1.578 3.686) 4.852 27.966 ( -0.261 -0.150 -3.573) 3.585 37.323 ( -0.986 -0.569 -3.540) 3.719 37.452 ( 7.596 4.386 4.081) 9.674 37.749 ( 19.387 11.193 1.011) 22.409 37.954 ( 51.092 29.498 -25.303) 64.193 ======================= Grid point 555 (174/231) ======================= q-point: ( 0.38 0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.894 ( 31.041 17.922 36.041) 50.830 4.530 ( 22.638 13.070 51.494) 57.749 7.077 ( 55.228 31.886 60.615) 87.982 7.923 ( 10.859 6.270 -34.755) 36.948 8.997 ( 27.580 15.923 -33.543) 46.253 9.759 ( -15.511 -8.956 11.711) 21.400 10.429 ( -0.384 -0.222 17.757) 17.763 11.365 ( -16.281 -9.400 -21.139) 28.289 11.744 ( -16.539 -9.549 5.596) 19.901 12.131 ( 0.514 0.297 -26.325) 26.331 12.472 ( -2.743 -1.584 14.305) 14.652 13.041 ( -7.235 -4.177 -0.872) 8.400 13.644 ( 1.219 0.704 -12.950) 13.026 13.882 ( -0.055 -0.032 16.207) 16.207 14.513 ( 10.415 6.013 5.807) 13.355 14.654 ( -5.839 -3.371 4.188) 7.938 15.303 ( 7.152 4.129 -21.340) 22.882 15.319 ( -6.767 -3.907 -6.895) 10.421 19.711 ( -13.455 -7.769 2.451) 15.729 20.174 ( -3.369 -1.945 9.015) 9.818 20.447 ( -14.516 -8.381 -1.827) 16.861 20.581 ( -4.162 -2.403 -6.106) 7.771 22.308 ( -14.256 -8.231 20.542) 26.324 23.410 ( -40.455 -23.357 9.993) 47.771 27.580 ( 5.209 3.008 2.817) 6.642 27.942 ( -0.071 -0.041 -3.131) 3.132 37.319 ( 2.655 1.533 -5.367) 6.181 37.700 ( 10.937 6.315 7.733) 14.809 38.290 ( 26.139 15.092 3.060) 30.338 38.884 ( 42.812 24.718 -42.195) 64.995 ======================= Grid point 556 (175/231) ======================= q-point: ( 0.46 0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.874 ( 38.210 22.060 25.832) 51.126 5.322 ( 23.434 13.530 44.827) 52.361 8.081 ( 17.889 10.328 -29.069) 35.661 8.642 ( 51.819 29.918 44.873) 74.792 9.379 ( -22.632 -13.067 8.287) 27.416 9.482 ( 30.305 17.496 -31.666) 47.193 10.517 ( 1.171 0.676 14.304) 14.368 10.910 ( -11.693 -6.751 -22.428) 26.178 11.341 ( -21.626 -12.486 10.890) 27.243 11.979 ( -0.857 -0.495 -26.898) 26.916 12.544 ( -2.731 -1.577 -4.842) 5.778 12.895 ( -1.363 -0.787 13.052) 13.147 13.596 ( 0.976 0.564 -10.783) 10.841 13.829 ( -11.078 -6.396 13.292) 18.447 14.469 ( -11.220 -6.478 5.149) 13.941 14.844 ( 10.398 6.003 10.575) 16.000 15.128 ( -5.150 -2.973 -4.382) 7.386 15.206 ( -5.756 -3.323 -14.888) 16.304 19.384 ( -15.202 -8.777 0.430) 17.559 20.019 ( -11.905 -6.873 2.128) 13.910 20.243 ( -3.614 -2.087 5.227) 6.688 20.500 ( 0.084 0.048 -3.797) 3.798 22.020 ( -18.759 -10.830 13.751) 25.657 22.698 ( -26.863 -15.509 5.947) 31.584 27.714 ( 5.049 2.915 1.848) 6.116 27.933 ( 0.589 0.340 -2.050) 2.160 37.374 ( 4.833 2.790 -6.852) 8.837 38.021 ( 12.023 6.942 11.073) 17.758 38.947 ( 28.582 16.502 4.768) 33.346 39.417 ( 25.166 14.530 -41.936) 51.021 ======================= Grid point 557 (176/231) ======================= q-point: ( 0.54 0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.895 ( 39.622 22.876 17.552) 49.003 6.118 ( 26.758 15.449 34.345) 46.197 8.321 ( 8.468 4.889 -22.134) 24.198 8.900 ( -15.165 -8.755 4.849) 18.170 9.664 ( 16.774 9.684 10.933) 22.241 10.085 ( 35.846 20.696 -17.632) 44.990 10.576 ( -10.942 -6.318 11.977) 17.410 10.595 ( -5.622 -3.246 -20.315) 21.327 11.045 ( -2.547 -1.471 21.654) 21.853 11.780 ( -3.917 -2.262 -25.498) 25.896 12.181 ( -16.432 -9.487 -13.783) 23.452 13.221 ( 15.956 9.212 21.173) 28.067 13.451 ( -15.034 -8.680 8.141) 19.173 13.723 ( 3.840 2.217 -6.935) 8.232 14.247 ( -9.549 -5.513 4.418) 11.879 14.771 ( -12.491 -7.212 -3.533) 14.850 14.945 ( -10.363 -5.983 -6.390) 13.565 15.257 ( 5.931 3.424 14.986) 16.476 19.058 ( -11.896 -6.868 -1.815) 13.856 19.767 ( -9.385 -5.419 -4.414) 11.702 20.255 ( 1.004 0.580 8.966) 9.041 20.551 ( 5.215 3.011 -0.819) 6.077 21.631 ( -19.461 -11.236 6.857) 23.495 22.190 ( -20.277 -11.707 1.687) 23.475 27.820 ( 3.418 1.973 0.966) 4.063 27.947 ( 1.286 0.743 -0.511) 1.571 37.450 ( 5.148 2.972 -7.783) 9.793 38.353 ( 10.400 6.004 13.649) 18.179 39.613 ( 12.105 6.989 -36.536) 39.119 39.624 ( 27.592 15.930 5.264) 32.293 ======================= Grid point 558 (177/231) ======================= q-point: ( 0.62 0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.853 ( 36.185 20.891 9.838) 42.925 6.930 ( 30.136 17.399 22.240) 41.298 7.905 ( -28.388 -16.390 -4.420) 33.076 9.064 ( 20.767 11.990 -8.668) 25.498 9.648 ( -17.902 -10.335 -6.065) 21.542 10.217 ( -15.305 -8.837 12.527) 21.663 10.403 ( -2.089 -1.206 -18.688) 18.843 10.759 ( 26.809 15.478 -13.208) 33.657 11.071 ( -13.189 -7.614 6.028) 16.378 11.518 ( -7.155 -4.131 -20.078) 21.712 12.093 ( 13.665 7.890 10.638) 19.030 13.126 ( -14.711 -8.493 3.845) 17.417 13.709 ( 12.777 7.377 11.875) 18.939 13.793 ( -0.006 -0.003 -5.994) 5.994 14.153 ( 2.485 1.435 8.020) 8.518 14.436 ( -11.987 -6.921 0.942) 13.874 14.714 ( -7.033 -4.061 -0.318) 8.127 15.359 ( -5.063 -2.923 16.693) 17.687 18.864 ( -3.030 -1.749 -3.837) 5.192 19.532 ( -8.903 -5.140 -4.459) 11.206 20.381 ( 5.730 3.308 6.935) 9.585 20.684 ( 4.358 2.516 -0.022) 5.032 21.260 ( -13.088 -7.556 2.561) 15.328 21.764 ( -17.339 -10.011 -0.659) 20.032 27.882 ( 1.702 0.983 0.302) 1.989 27.982 ( 1.493 0.862 1.024) 2.005 37.511 ( 3.910 2.258 -8.096) 9.270 38.630 ( 6.447 3.722 15.083) 16.820 39.595 ( 3.277 1.892 -30.481) 30.715 40.253 ( 24.732 14.279 4.166) 28.861 ======================= Grid point 559 (178/231) ======================= q-point: (-0.31 0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.083 ( -31.163 -17.992 1.644) 36.022 7.728 ( 31.074 17.940 8.499) 36.874 7.754 ( 28.346 16.365 2.990) 32.867 8.971 ( -36.114 -20.850 3.050) 41.812 9.474 ( 17.214 9.939 -11.600) 23.015 9.932 ( -15.252 -8.806 5.720) 18.517 10.270 ( -0.501 -0.289 -21.342) 21.350 10.756 ( -7.169 -4.139 5.908) 10.170 11.305 ( -1.426 -0.823 -8.865) 9.016 11.329 ( 25.844 14.921 -16.947) 34.318 12.521 ( 11.368 6.563 17.699) 22.036 12.825 ( -11.633 -6.716 -10.043) 16.771 13.382 ( -32.947 -19.022 7.930) 38.861 13.780 ( -2.921 -1.687 -1.578) 3.724 14.417 ( 6.007 3.468 1.501) 7.097 14.456 ( 8.859 5.115 1.538) 10.344 14.753 ( 11.382 6.571 14.264) 19.396 15.276 ( -8.068 -4.658 20.511) 22.528 18.883 ( 6.732 3.886 -5.981) 9.808 19.321 ( -7.486 -4.322 -2.271) 8.937 20.573 ( 7.791 4.498 4.198) 9.927 20.611 ( -9.334 -5.389 -2.288) 11.018 21.185 ( 4.278 2.470 1.985) 5.324 21.396 ( -13.933 -8.044 -0.942) 16.116 27.908 ( 0.759 0.438 -0.074) 0.879 28.019 ( 0.765 0.442 2.047) 2.229 37.532 ( 1.704 0.984 -7.821) 8.064 38.803 ( 1.037 0.598 15.178) 15.225 39.439 ( -3.077 -1.777 -24.902) 25.154 40.796 ( 21.259 12.274 1.449) 24.590 ======================= Grid point 560 (179/231) ======================= q-point: (-0.23 0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.313 ( -36.775 -21.232 9.550) 43.525 8.051 ( -37.755 -21.798 4.626) 43.840 8.360 ( 22.867 13.202 -6.261) 27.137 8.437 ( 19.029 10.986 0.281) 21.974 9.662 ( 4.547 2.625 -9.132) 10.534 9.748 ( -1.426 -0.823 14.603) 14.696 10.083 ( -4.405 -2.543 -26.816) 27.294 10.760 ( 4.220 2.436 1.522) 5.105 11.462 ( 16.267 9.392 -0.802) 18.801 11.786 ( 21.591 12.466 -14.526) 28.854 12.201 ( -39.161 -22.610 -16.182) 48.028 12.731 ( -1.560 -0.901 15.044) 15.152 12.813 ( -16.902 -9.758 16.615) 25.631 13.706 ( -1.008 -0.582 -4.773) 4.913 14.497 ( 4.491 2.593 -2.033) 5.570 14.539 ( -5.600 -3.233 3.697) 7.448 15.125 ( 9.096 5.251 12.389) 16.242 15.429 ( 12.517 7.227 24.150) 28.145 19.074 ( 12.603 7.277 -8.322) 16.765 19.186 ( -3.315 -1.914 0.087) 3.829 20.382 ( -7.941 -4.585 -0.538) 9.185 20.757 ( 5.750 3.320 2.035) 6.944 21.152 ( -6.059 -3.498 1.151) 7.090 21.317 ( 4.993 2.883 -0.876) 5.832 27.923 ( 0.683 0.394 -0.218) 0.818 28.030 ( -1.110 -0.641 2.253) 2.593 37.501 ( -0.791 -0.457 -7.056) 7.115 38.843 ( -4.787 -2.764 14.029) 15.079 39.184 ( -8.091 -4.671 -19.984) 22.060 41.238 ( 17.554 10.135 -3.160) 20.515 ======================= Grid point 567 (180/231) ======================= q-point: ( 0.31 0.31 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.520 ( -0.000 25.949 46.816) 53.526 3.979 ( -0.000 38.494 50.628) 63.601 5.973 ( -0.000 24.193 81.128) 84.658 7.708 ( 0.000 -8.277 -38.146) 39.034 8.478 ( 0.000 31.183 -37.974) 49.137 10.068 ( -0.000 -12.385 15.382) 19.748 10.417 ( -0.000 4.210 20.576) 21.002 11.800 ( 0.000 -13.211 -13.041) 18.563 11.836 ( 0.000 -16.500 -12.210) 20.527 12.124 ( 0.000 1.955 -21.944) 22.031 12.838 ( -0.000 -25.054 11.865) 27.722 13.247 ( -0.000 -2.454 6.125) 6.599 13.587 ( -0.000 10.792 13.731) 17.465 13.681 ( 0.000 -12.247 -13.842) 18.482 14.097 ( 0.000 3.487 -4.381) 5.599 14.644 ( 0.000 8.292 2.382) 8.627 15.298 ( 0.000 32.764 -13.456) 35.419 15.452 ( 0.000 -5.687 -5.847) 8.157 20.085 ( -0.000 0.653 3.534) 3.594 20.094 ( -0.000 -5.314 5.999) 8.014 20.580 ( -0.000 -16.466 -5.618) 17.398 20.872 ( 0.000 2.497 -5.101) 5.680 22.574 ( -0.000 -9.056 25.749) 27.295 24.428 ( -0.000 -52.560 -1.395) 52.578 27.485 ( -0.000 2.790 4.004) 4.880 27.946 ( 0.000 -0.068 -3.849) 3.850 37.149 ( -0.000 -4.772 0.299) 4.781 37.417 ( 0.000 4.931 -3.046) 5.796 37.648 ( 0.000 14.731 0.729) 14.749 38.119 ( 0.000 62.480 -16.099) 64.520 ======================= Grid point 568 (181/231) ======================= q-point: ( 0.38 0.31 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.114 ( 5.609 38.244 39.603) 55.340 4.753 ( 9.549 32.301 50.301) 60.537 6.989 ( 33.626 33.269 67.732) 82.615 7.538 ( 10.995 -0.502 -36.900) 38.506 8.676 ( 12.411 27.921 -39.291) 49.774 9.944 ( -8.576 -12.849 13.831) 20.735 10.546 ( -2.023 0.113 19.834) 19.937 11.354 ( -13.138 -17.155 -17.131) 27.575 11.773 ( 6.910 -12.287 -9.559) 17.032 11.969 ( -3.772 -2.235 -21.831) 22.266 12.582 ( -10.154 -9.727 12.279) 18.668 13.179 ( -8.692 0.355 3.288) 9.299 13.547 ( 4.509 -8.361 -11.381) 14.824 13.851 ( 7.872 2.267 13.459) 15.756 14.272 ( 15.678 2.675 0.361) 15.909 14.652 ( -0.223 -8.954 6.091) 10.832 15.271 ( -7.708 -4.884 -9.107) 12.892 15.538 ( -5.281 33.013 -17.168) 37.584 19.899 ( -12.379 -5.228 3.830) 13.973 20.201 ( 4.305 -2.400 4.868) 6.928 20.349 ( -3.355 -18.775 -3.680) 19.425 20.767 ( -10.227 2.352 -4.767) 11.526 22.524 ( -8.562 -13.406 22.404) 27.477 23.669 ( -23.657 -47.240 5.408) 53.109 27.567 ( 2.645 4.537 3.449) 6.283 27.926 ( 0.041 0.320 -3.614) 3.628 37.267 ( 9.135 -0.821 0.178) 9.174 37.491 ( 9.063 4.575 -3.424) 10.714 37.991 ( 18.937 16.144 2.122) 24.975 38.717 ( 11.025 55.856 -26.408) 62.760 ======================= Grid point 569 (182/231) ======================= q-point: ( 0.46 0.31 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.904 ( 15.600 42.369 30.883) 54.701 5.466 ( 10.198 23.329 48.239) 54.546 7.647 ( 21.001 6.100 -32.049) 38.800 8.397 ( 45.434 35.245 51.837) 77.418 8.983 ( 22.541 16.487 -39.094) 48.044 9.666 ( -17.751 -13.100 11.342) 24.806 10.559 ( -2.721 -8.094 13.137) 15.668 10.918 ( -10.356 -6.133 -15.659) 19.750 11.602 ( -13.452 -10.859 2.230) 17.431 11.769 ( 2.825 -3.206 -28.072) 28.396 12.515 ( 0.377 -3.016 5.166) 5.994 13.029 ( -8.751 -0.363 4.524) 9.858 13.513 ( 4.274 -3.480 -6.885) 8.820 13.954 ( -1.823 -2.839 7.040) 7.807 14.511 ( 0.866 -13.693 3.028) 14.050 14.692 ( 14.744 3.416 13.870) 20.529 15.001 ( -7.047 -8.900 -11.288) 16.009 15.547 ( -16.073 23.252 -13.177) 31.188 19.622 ( -16.290 -3.527 1.504) 16.735 20.049 ( -4.700 -20.668 -2.328) 21.323 20.257 ( -0.416 -0.985 7.371) 7.449 20.589 ( -8.733 3.143 -4.226) 10.198 22.274 ( -15.681 -15.807 16.072) 27.460 22.901 ( -20.956 -33.851 5.308) 40.165 27.688 ( 3.676 4.638 2.562) 6.449 27.918 ( 0.492 1.141 -2.797) 3.061 37.362 ( 0.361 8.372 -3.067) 8.923 37.791 ( 21.674 -1.366 1.687) 21.783 38.572 ( 27.359 14.947 2.693) 31.292 39.224 ( 10.003 40.316 -29.890) 51.174 ======================= Grid point 570 (183/231) ======================= q-point: ( 0.54 0.31 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.792 ( 20.938 40.201 23.444) 51.031 6.139 ( 15.323 20.297 39.197) 46.725 7.968 ( 23.191 10.453 -25.345) 35.909 9.177 ( -19.698 -13.638 2.534) 24.092 9.321 ( 23.861 0.422 -29.014) 37.568 9.654 ( 31.356 20.938 33.320) 50.317 10.445 ( 2.997 -15.118 -9.373) 18.039 10.774 ( -6.403 8.022 5.320) 11.561 11.240 ( -13.674 -9.340 4.230) 17.091 11.657 ( 1.993 1.011 -19.973) 20.097 12.347 ( -17.681 -0.917 -11.033) 20.862 13.093 ( 12.463 -2.586 13.173) 18.318 13.532 ( 0.457 -2.721 4.497) 5.276 13.877 ( -8.574 8.325 -2.382) 12.186 14.292 ( -8.146 -15.479 2.680) 17.696 14.745 ( 1.171 -14.404 -9.982) 17.564 15.028 ( -0.143 2.691 10.735) 11.068 15.388 ( -11.001 11.084 0.755) 15.634 19.299 ( -18.538 0.075 -1.098) 18.570 19.786 ( -4.490 -12.834 -2.814) 13.885 20.281 ( 0.383 -1.831 8.077) 8.291 20.521 ( -0.034 2.614 -1.977) 3.277 21.876 ( -19.472 -16.090 8.750) 26.733 22.330 ( -15.266 -24.330 2.077) 28.798 27.800 ( 2.980 3.619 1.726) 4.996 27.935 ( 1.056 1.782 -1.496) 2.555 37.436 ( -0.123 10.461 -4.948) 11.573 38.170 ( 21.000 -1.802 5.781) 21.856 39.182 ( 24.439 12.602 -4.155) 27.809 39.552 ( 8.910 26.931 -20.325) 34.897 ======================= Grid point 571 (184/231) ======================= q-point: ( 0.62 0.31 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.617 ( 21.231 25.845 19.804) 38.870 6.874 ( 22.179 29.018 22.875) 43.096 8.124 ( -9.235 -3.100 -13.215) 16.418 8.843 ( 3.102 -0.452 0.267) 3.146 9.525 ( 17.444 -10.657 -23.597) 31.220 10.166 ( 1.808 -6.884 1.815) 7.345 10.266 ( 8.433 -12.972 -6.263) 16.692 10.635 ( -10.830 -6.341 3.967) 13.162 11.168 ( -3.307 4.792 -3.362) 6.723 11.775 ( -5.991 20.254 0.862) 21.139 11.945 ( -1.439 -2.916 -5.795) 6.645 13.267 ( -3.493 -11.517 1.086) 12.084 13.549 ( 6.977 2.502 12.023) 14.124 13.913 ( -2.139 14.211 -5.976) 15.565 14.087 ( 1.864 -7.180 4.822) 8.847 14.590 ( -0.453 -11.221 -2.837) 11.583 14.825 ( -19.857 0.174 4.020) 20.260 15.462 ( 0.708 -1.361 14.046) 14.130 19.022 ( -14.117 4.995 -2.605) 15.199 19.588 ( -6.087 -5.798 -4.659) 9.611 20.344 ( 4.101 -1.442 7.464) 8.638 20.607 ( 6.783 1.712 0.266) 7.001 21.425 ( -17.572 -14.621 2.815) 23.032 21.888 ( -12.976 -18.042 -0.273) 22.226 27.877 ( 1.345 2.691 0.820) 3.118 27.971 ( 1.624 1.551 0.191) 2.254 37.504 ( -0.651 10.205 -5.779) 11.745 38.517 ( 16.752 -2.536 7.993) 18.734 39.455 ( 2.884 12.878 -21.283) 25.042 39.992 ( 22.882 14.492 0.755) 27.096 ======================= Grid point 572 (185/231) ======================= q-point: ( 0.69 0.31 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.233 ( 14.401 7.929 9.020) 18.751 7.559 ( -11.602 1.578 5.760) 13.049 7.741 ( 11.190 24.875 7.001) 28.160 9.039 ( 7.287 -11.301 -6.320) 14.858 9.394 ( -5.639 1.850 -10.419) 11.991 9.921 ( 5.598 -24.073 -13.854) 28.334 10.154 ( -13.298 -11.090 9.965) 19.978 10.755 ( 29.222 -3.292 -12.904) 32.113 11.083 ( -11.725 14.931 -4.468) 19.503 11.477 ( -18.248 9.811 -8.395) 22.355 12.390 ( 19.708 4.118 15.188) 25.220 12.946 ( -15.293 -6.442 -9.552) 19.148 13.689 ( 3.994 -10.782 2.350) 11.736 13.798 ( -18.296 -1.288 3.480) 18.668 14.256 ( 7.278 -5.440 2.721) 9.485 14.527 ( -2.246 9.675 4.126) 10.756 14.709 ( 6.810 5.188 10.882) 13.846 15.461 ( -5.011 -5.330 15.495) 17.135 18.911 ( -5.211 10.273 -4.679) 12.433 19.403 ( -7.497 -2.622 -3.360) 8.624 20.470 ( 7.518 -1.546 4.370) 8.833 20.694 ( -1.643 -0.582 -0.226) 1.758 21.110 ( -1.867 -9.856 1.144) 10.097 21.517 ( -11.658 -12.796 -1.057) 17.343 27.908 ( -0.037 1.324 -0.145) 1.333 28.021 ( 1.606 1.455 1.842) 2.844 37.544 ( -2.084 8.917 -5.837) 10.859 38.767 ( 10.633 -4.199 7.822) 13.852 39.416 ( -5.869 9.055 -17.790) 20.807 40.522 ( 23.366 9.278 0.714) 25.151 ======================= Grid point 573 (186/231) ======================= q-point: (-0.23 0.31 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.804 ( -34.972 -15.459 9.976) 39.516 7.827 ( 21.584 2.420 -2.069) 21.817 8.419 ( 11.130 34.182 -4.601) 36.241 8.557 ( -23.217 -23.654 9.587) 34.503 9.509 ( 9.302 5.356 -10.248) 14.840 9.699 ( 4.801 -17.499 -12.886) 22.256 9.983 ( -2.775 -4.745 3.953) 6.771 10.914 ( -11.461 8.932 1.207) 14.580 11.303 ( 23.236 11.865 -7.654) 27.190 11.414 ( 9.626 6.631 -10.349) 15.612 12.479 ( -20.941 -7.251 -17.685) 28.353 12.743 ( 6.787 -1.851 11.758) 13.702 13.294 ( -33.478 -8.368 17.979) 38.911 13.616 ( 0.991 -10.113 -1.581) 10.284 14.277 ( 9.006 -14.025 1.279) 16.716 14.669 ( -0.304 10.878 0.602) 10.899 15.088 ( 12.040 9.054 13.020) 19.911 15.471 ( 2.239 -0.229 18.347) 18.485 18.966 ( 2.352 9.694 -7.417) 12.430 19.276 ( -4.725 3.303 -0.829) 5.825 20.473 ( -6.600 -4.111 -1.260) 7.877 20.681 ( 5.419 1.095 2.532) 6.081 21.131 ( 6.637 -7.846 0.473) 10.288 21.258 ( -4.345 -6.330 -0.148) 7.679 27.910 ( 0.002 -0.221 -0.335) 0.401 28.063 ( -0.086 1.457 2.248) 2.680 37.540 ( -4.103 7.286 -5.273) 9.885 38.874 ( 3.778 -6.419 3.918) 8.416 39.258 ( -11.457 5.706 -9.917) 16.192 40.969 ( 20.529 5.971 -3.533) 21.669 ======================= Grid point 581 (187/231) ======================= q-point: ( 0.38 0.38 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.700 ( -0.000 41.496 38.286) 56.460 5.374 ( -0.000 46.362 45.481) 64.946 7.206 ( 0.000 3.756 -29.516) 29.754 7.419 ( -0.000 33.517 57.884) 66.888 8.603 ( 0.000 22.020 -43.086) 48.387 9.939 ( -0.000 -16.975 13.247) 21.532 10.712 ( -0.000 4.275 19.703) 20.161 11.243 ( 0.000 -24.925 -12.699) 27.973 11.467 ( 0.000 -2.374 -13.251) 13.462 11.843 ( 0.000 -5.702 -21.571) 22.312 12.705 ( -0.000 -5.272 12.393) 13.467 13.147 ( 0.000 -14.330 -15.661) 21.228 13.403 ( -0.000 -2.495 12.584) 12.829 13.913 ( -0.000 3.917 12.185) 12.799 14.181 ( 0.000 9.592 -4.965) 10.801 14.580 ( -0.000 -12.376 8.593) 15.067 15.218 ( 0.000 -10.092 -7.311) 12.462 15.845 ( 0.000 35.748 -21.324) 41.625 19.990 ( -0.000 -11.934 6.509) 13.593 20.031 ( -0.000 -17.385 -3.634) 17.761 20.273 ( 0.000 0.798 0.124) 0.807 20.841 ( 0.000 0.211 -5.397) 5.401 22.566 ( -0.000 -17.926 20.715) 27.395 23.375 ( -0.000 -53.475 5.374) 53.744 27.616 ( -0.000 5.936 3.262) 6.773 27.908 ( 0.000 0.547 -3.533) 3.575 37.114 ( -0.000 0.183 0.657) 0.682 37.569 ( 0.000 13.168 -1.286) 13.231 38.009 ( 0.000 19.815 1.721) 19.890 39.043 ( 0.000 51.699 -25.055) 57.450 ======================= Grid point 582 (188/231) ======================= q-point: ( 0.46 0.38 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.373 ( 5.443 44.841 33.270) 56.100 6.015 ( -5.989 39.862 45.543) 60.820 7.201 ( 15.224 8.290 -33.677) 37.876 8.385 ( 29.609 35.668 52.029) 69.685 8.598 ( 10.344 8.186 -42.513) 44.513 9.787 ( -5.410 -17.750 11.934) 22.063 10.652 ( -16.099 -14.052 2.261) 21.488 10.974 ( -2.150 2.440 0.616) 3.310 11.498 ( 7.284 -1.776 -9.538) 12.132 11.628 ( -3.591 -6.474 -22.987) 24.150 12.589 ( -7.558 -4.699 8.939) 12.614 13.060 ( 7.473 -10.068 -11.944) 17.316 13.405 ( -4.434 -0.551 13.771) 14.478 13.975 ( 1.319 -3.198 3.504) 4.924 14.315 ( 5.353 -3.311 0.019) 6.294 14.615 ( 8.717 0.798 13.252) 15.882 14.996 ( -7.770 -10.217 -9.047) 15.704 15.950 ( -10.728 25.939 -19.093) 33.948 19.789 ( -3.736 -14.171 0.087) 14.656 19.836 ( -3.769 -18.536 -0.105) 18.916 20.323 ( -0.928 4.983 2.680) 5.734 20.732 ( -7.842 -0.282 -5.032) 9.322 22.401 ( -8.859 -20.166 15.974) 27.209 22.802 ( -10.104 -45.046 5.489) 46.490 27.710 ( 1.637 6.103 2.617) 6.840 27.904 ( 0.732 1.278 -2.996) 3.338 37.280 ( 15.672 0.695 1.343) 15.744 37.651 ( -4.072 15.105 -2.318) 15.815 38.394 ( 17.254 19.826 4.352) 26.640 39.389 ( 2.144 40.889 -25.322) 48.142 ======================= Grid point 583 (189/231) ======================= q-point: ( 0.54 0.38 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.141 ( 10.943 47.073 26.259) 55.001 6.501 ( -5.166 29.693 42.447) 52.059 7.505 ( 25.940 13.546 -26.495) 39.476 8.625 ( 19.814 -5.625 -40.256) 45.220 9.416 ( 2.490 -2.040 19.732) 19.993 9.634 ( 12.419 11.093 30.215) 34.500 10.203 ( -7.177 -19.920 -10.415) 23.596 11.001 ( -5.932 4.333 8.297) 11.082 11.319 ( -9.029 -7.479 -12.970) 17.484 11.539 ( 2.883 7.105 -16.139) 17.868 12.570 ( -1.617 1.592 6.434) 6.823 12.935 ( -1.859 -7.752 -6.450) 10.254 13.496 ( 5.626 0.178 13.820) 14.922 13.943 ( 1.466 -9.601 0.656) 9.734 14.295 ( -2.220 -0.664 -2.748) 3.595 14.600 ( -10.105 -13.072 -8.403) 18.536 15.010 ( 12.699 3.584 14.252) 19.423 15.787 ( -19.867 13.961 -12.193) 27.171 19.565 ( -11.035 -8.659 0.546) 14.038 19.631 ( 1.683 -12.751 -2.655) 13.133 20.340 ( -3.434 2.172 4.722) 6.230 20.571 ( -5.976 -0.211 -3.968) 7.177 22.061 ( -15.648 -19.391 9.748) 26.756 22.259 ( -9.371 -34.437 3.218) 35.834 27.809 ( 1.965 4.583 2.074) 5.400 27.926 ( 1.277 2.473 -2.217) 3.558 37.562 ( 5.100 9.594 2.661) 11.187 37.785 ( 13.498 5.674 -4.883) 15.435 38.959 ( 21.537 17.180 6.898) 28.400 39.630 ( 1.231 29.452 -22.590) 37.138 ======================= Grid point 584 (190/231) ======================= q-point: ( 0.62 0.38 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.896 ( -1.481 36.256 27.577) 45.576 6.985 ( 16.065 32.202 24.922) 43.774 7.959 ( 19.728 13.387 -18.747) 30.329 8.740 ( 27.656 -9.480 -32.213) 43.501 9.050 ( -19.259 -13.472 7.952) 24.812 9.844 ( 6.467 -26.271 -12.237) 29.694 10.218 ( -0.061 1.161 16.740) 16.780 10.762 ( -13.847 -18.191 -1.020) 22.885 11.317 ( 1.754 20.619 -1.501) 20.748 11.641 ( 12.430 6.579 -5.061) 14.947 12.401 ( -25.804 12.948 -0.606) 28.877 12.992 ( 17.563 -12.484 2.353) 21.676 13.645 ( -2.286 1.110 10.483) 10.786 13.851 ( 1.864 -18.817 2.293) 19.047 14.200 ( -5.887 14.770 -7.468) 17.566 14.385 ( 3.979 -7.506 -5.825) 10.301 15.203 ( -8.273 0.157 12.541) 15.025 15.521 ( -8.872 1.523 -1.006) 9.057 19.315 ( -12.893 0.829 0.045) 12.920 19.551 ( 0.707 -5.153 -4.810) 7.084 20.327 ( -1.039 -1.534 6.007) 6.286 20.515 ( 2.493 -1.132 -2.122) 3.464 21.609 ( -19.327 -16.939 4.022) 26.013 21.839 ( -6.668 -25.634 0.800) 26.499 27.892 ( 1.684 3.412 1.763) 4.194 27.962 ( 1.087 2.343 -1.343) 2.912 37.671 ( -5.258 16.003 -0.971) 16.872 38.134 ( 23.732 -2.410 -1.862) 23.926 39.465 ( 10.727 16.047 1.953) 19.400 39.815 ( 9.132 17.060 -12.597) 23.089 ======================= Grid point 585 (191/231) ======================= q-point: ( 0.69 0.38 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.281 ( 2.123 17.977 19.475) 26.589 7.764 ( 13.597 36.248 11.860) 40.490 7.963 ( -13.829 0.642 -3.419) 14.260 8.785 ( 1.999 -11.914 -2.168) 12.274 9.105 ( 29.429 3.291 -20.928) 36.262 9.584 ( 1.611 -27.167 -13.811) 30.519 10.196 ( 2.113 -8.873 7.238) 11.644 10.357 ( -6.387 -15.042 -3.417) 16.695 11.395 ( -10.508 18.162 -6.637) 22.007 11.880 ( -7.573 2.252 -1.684) 8.078 12.233 ( 1.926 11.707 10.349) 15.744 13.035 ( -4.209 -8.838 -5.228) 11.097 13.537 ( -0.710 -9.652 -0.283) 9.683 13.756 ( 7.499 -19.794 5.388) 21.842 14.339 ( -6.338 17.352 -7.490) 19.934 14.515 ( 14.477 6.492 10.271) 18.900 14.948 ( -18.867 4.258 6.513) 20.409 15.492 ( 1.234 -8.722 9.057) 12.635 19.159 ( -11.046 10.652 -2.237) 15.508 19.469 ( -3.862 -1.023 -4.174) 5.778 20.359 ( 4.225 -3.811 5.233) 7.730 20.595 ( 8.809 -3.161 -0.457) 9.370 21.162 ( -15.634 -12.277 0.732) 19.892 21.509 ( -6.277 -19.015 -0.813) 20.041 27.937 ( -0.921 2.737 -0.276) 2.901 28.008 ( 2.572 1.236 1.301) 3.136 37.715 ( -6.398 15.090 -2.221) 16.540 38.469 ( 19.254 -4.166 -1.526) 19.758 39.599 ( -7.512 15.214 -6.130) 18.041 40.204 ( 22.379 6.787 -0.750) 23.397 ======================= Grid point 586 (192/231) ======================= q-point: (-0.23 0.38 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.299 ( -27.737 -6.468 9.891) 30.150 7.685 ( 1.248 8.152 6.239) 10.341 8.512 ( 13.985 23.479 5.124) 27.804 8.638 ( -3.251 -6.005 -2.988) 7.454 9.244 ( 7.665 -26.893 -12.952) 30.818 9.405 ( 4.669 9.153 -15.499) 18.596 10.026 ( -4.844 -10.542 7.731) 13.941 10.650 ( 37.684 5.618 -8.782) 39.099 11.306 ( -12.592 11.613 -5.451) 17.976 11.633 ( -19.454 9.434 1.678) 21.686 12.475 ( 7.967 -8.269 4.215) 12.231 12.759 ( -10.041 0.706 -9.096) 13.567 13.452 ( 1.520 -12.791 0.546) 12.893 13.687 ( -0.114 -19.367 7.467) 20.757 14.157 ( -17.586 -2.041 5.401) 18.509 14.786 ( 0.179 10.233 0.303) 10.239 15.045 ( 11.524 11.647 11.113) 19.798 15.484 ( 2.498 -7.012 10.283) 12.694 19.100 ( -8.108 12.999 -6.726) 16.732 19.388 ( -3.859 4.196 0.270) 5.707 20.435 ( 5.314 -3.797 2.385) 6.953 20.671 ( 1.135 -2.697 0.409) 2.954 20.915 ( 1.867 -9.626 -0.434) 9.815 21.246 ( -4.564 -13.105 -0.790) 13.899 27.926 ( -1.730 1.084 -0.774) 2.184 28.073 ( 2.011 1.013 2.126) 3.097 37.724 ( -7.555 13.214 -2.126) 15.369 38.673 ( 11.374 -5.554 -3.694) 13.185 39.529 ( -12.558 11.294 -1.458) 16.952 40.625 ( 21.797 2.447 -3.016) 22.140 ======================= Grid point 595 (193/231) ======================= q-point: ( 0.46 0.46 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.938 ( -0.000 41.408 33.431) 53.219 6.796 ( -0.000 47.046 41.216) 62.547 6.980 ( 0.000 13.225 -32.589) 35.170 8.298 ( 0.000 -1.855 -42.133) 42.173 8.739 ( -0.000 33.072 45.795) 56.488 9.672 ( -0.000 -22.512 8.801) 24.171 10.691 ( 0.000 -16.341 -7.705) 18.066 11.043 ( -0.000 2.225 16.974) 17.119 11.376 ( 0.000 -9.058 -5.416) 10.554 11.510 ( 0.000 16.854 -28.431) 33.052 12.576 ( 0.000 -23.214 -14.373) 27.303 12.835 ( -0.000 3.977 12.073) 12.711 13.609 ( -0.000 6.705 10.426) 12.395 13.833 ( -0.000 -23.002 8.827) 24.637 14.336 ( 0.000 9.394 -2.903) 9.832 14.590 ( -0.000 2.605 9.836) 10.175 14.919 ( 0.000 -10.101 -7.883) 12.813 16.166 ( 0.000 20.505 -21.317) 29.578 19.532 ( -0.000 -23.799 -4.375) 24.198 19.784 ( -0.000 -14.967 5.441) 15.925 20.416 ( 0.000 9.668 -0.606) 9.687 20.762 ( 0.000 -1.478 -5.988) 6.168 22.350 ( -0.000 -22.244 13.484) 26.012 22.459 ( -0.000 -44.772 5.634) 45.125 27.777 ( 0.000 6.903 2.042) 7.199 27.891 ( 0.000 1.134 -2.609) 2.845 37.152 ( 0.000 2.659 0.653) 2.738 37.904 ( 0.000 17.677 5.236) 18.436 38.446 ( 0.000 21.784 1.191) 21.816 39.621 ( 0.000 35.004 -22.876) 41.816 ======================= Grid point 596 (194/231) ======================= q-point: ( 0.54 0.46 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.571 ( 6.166 38.996 30.003) 49.587 7.116 ( 17.285 18.066 -27.116) 36.884 7.319 ( -15.345 42.195 38.873) 59.389 8.098 ( 8.267 -7.218 -37.580) 39.150 9.348 ( 9.340 -7.969 12.350) 17.415 9.615 ( 12.579 5.044 24.239) 27.770 10.315 ( -20.491 -7.236 -0.461) 21.736 11.043 ( -2.695 -14.915 -0.486) 15.164 11.258 ( 1.810 -6.703 -6.509) 9.517 11.629 ( -2.238 27.007 -13.884) 30.449 12.344 ( 9.661 -17.999 -7.569) 21.785 12.999 ( 0.527 7.540 6.153) 9.746 13.559 ( -3.548 -7.584 11.437) 14.174 13.751 ( 1.804 -13.615 7.544) 15.669 14.358 ( -2.704 8.502 -6.372) 10.964 14.655 ( -9.189 -7.185 -4.050) 12.348 14.868 ( 12.636 1.972 7.019) 14.589 16.110 ( -11.659 11.336 -18.342) 24.513 19.324 ( 4.837 -21.018 -2.651) 21.729 19.641 ( -2.807 -11.211 3.128) 11.973 20.474 ( -3.766 8.210 -0.576) 9.051 20.656 ( -6.152 -0.928 -5.304) 8.175 22.024 ( -4.764 -36.626 4.626) 37.223 22.129 ( -7.854 -22.350 9.079) 25.371 27.848 ( -0.027 4.571 1.301) 4.753 27.913 ( 1.966 3.003 -1.903) 4.063 37.321 ( 14.914 2.296 0.697) 15.106 38.008 ( -9.926 18.473 4.313) 21.410 38.835 ( 16.809 18.655 4.056) 25.436 39.805 ( -1.296 27.839 -19.474) 33.999 ======================= Grid point 597 (195/231) ======================= q-point: ( 0.62 0.46 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.226 ( 9.422 30.445 26.163) 41.233 7.590 ( 17.240 27.586 -7.216) 33.321 7.640 ( -5.057 35.695 19.490) 40.982 8.029 ( 16.954 -9.277 -32.352) 37.685 9.209 ( -1.226 -22.928 5.196) 23.541 9.598 ( -18.650 -16.748 -4.657) 25.495 10.328 ( 1.520 4.271 18.181) 18.738 10.747 ( -8.965 -17.579 -7.572) 21.136 11.257 ( 12.454 -0.102 -0.282) 12.457 11.746 ( -6.081 23.063 -9.719) 25.756 12.479 ( 22.902 -11.665 -1.587) 25.751 12.935 ( -17.468 6.635 3.889) 19.087 13.610 ( 4.361 -19.412 6.968) 21.080 13.712 ( 3.804 3.369 12.144) 13.164 14.264 ( -7.981 -8.043 -7.225) 13.438 14.456 ( -5.264 17.943 -10.225) 21.313 15.147 ( 12.575 -5.627 10.389) 17.255 15.816 ( -19.531 3.331 -12.524) 23.440 19.266 ( 8.451 -13.900 1.917) 16.380 19.527 ( -2.356 -3.200 -2.275) 4.579 20.443 ( -6.380 4.072 0.719) 7.603 20.514 ( -6.143 0.368 -3.655) 7.158 21.645 ( -3.007 -29.582 2.095) 29.808 21.765 ( -14.988 -18.137 5.073) 24.069 27.897 ( 1.697 1.891 1.412) 2.907 27.970 ( 0.831 4.252 -1.755) 4.674 37.667 ( 21.567 1.109 0.606) 21.604 38.028 ( -9.967 17.928 1.319) 20.555 39.349 ( 19.977 12.655 6.804) 24.608 39.908 ( -3.729 21.381 -14.840) 26.292 ======================= Grid point 598 (196/231) ======================= q-point: ( 0.69 0.46 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.642 ( -4.238 16.277 22.456) 28.057 7.969 ( 8.065 1.363 -15.884) 17.866 8.068 ( 2.737 42.154 17.327) 45.658 8.371 ( 34.758 8.509 -19.478) 40.742 8.933 ( -14.127 -8.408 10.938) 19.746 9.149 ( 1.328 -23.505 -13.893) 27.336 10.222 ( -9.093 -11.698 6.339) 16.116 10.341 ( -11.456 -16.037 -7.053) 20.933 11.637 ( 18.316 2.415 6.343) 19.533 11.761 ( -7.769 15.829 -8.557) 19.599 12.684 ( -21.602 7.956 5.104) 23.579 12.747 ( 19.604 -12.652 -1.956) 23.414 13.481 ( 1.949 -20.179 8.438) 21.959 13.604 ( -15.860 -6.807 -5.311) 18.058 14.370 ( 17.105 8.679 9.636) 21.465 14.554 ( -1.926 21.887 -11.761) 24.921 15.263 ( 0.822 -9.016 11.349) 14.518 15.434 ( -14.292 -2.811 -8.491) 16.860 19.326 ( 3.985 -3.001 7.108) 8.684 19.464 ( -1.496 3.017 -9.054) 9.660 20.372 ( -5.534 0.793 4.311) 7.060 20.441 ( 1.794 -2.361 -3.842) 4.853 21.330 ( -12.600 -16.610 3.380) 21.120 21.370 ( -6.076 -18.814 -1.284) 19.812 27.962 ( 2.836 1.079 2.013) 3.641 27.996 ( -0.870 3.132 -1.917) 3.774 38.007 ( -1.492 12.718 3.891) 13.384 38.079 ( 13.490 3.213 -4.393) 14.546 39.805 ( 11.996 10.225 7.377) 17.403 39.955 ( 0.991 12.627 -10.575) 16.500 ======================= Grid point 599 (197/231) ======================= q-point: ( 0.77 0.46 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.727 ( -14.872 7.628 12.726) 21.007 7.927 ( -9.135 4.607 -0.035) 10.231 8.350 ( -0.147 -15.260 0.269) 15.263 8.562 ( 12.909 -8.470 -2.802) 15.692 8.992 ( 2.721 20.075 -1.196) 20.294 9.268 ( 17.899 13.484 -14.956) 26.942 10.029 ( -5.336 -9.514 2.229) 11.134 10.143 ( 15.315 -2.700 -0.256) 15.554 11.633 ( -15.228 11.657 -5.150) 19.857 11.920 ( 5.990 -2.369 4.875) 8.078 12.430 ( -15.678 1.189 5.027) 16.507 12.789 ( 2.493 -9.870 -8.700) 13.391 13.304 ( -3.139 -9.660 -4.956) 11.302 13.403 ( 5.630 -18.440 8.808) 21.197 14.560 ( -15.087 9.442 -2.422) 17.963 14.786 ( 11.001 3.587 6.094) 13.078 15.131 ( -5.436 8.880 2.984) 10.831 15.353 ( 7.162 -9.657 3.201) 12.441 19.350 ( -8.455 10.958 -5.812) 15.012 19.462 ( 1.999 2.544 2.821) 4.293 20.350 ( 1.072 -2.038 5.510) 5.971 20.472 ( 8.579 -6.716 -3.547) 11.458 20.981 ( -13.379 -6.708 -0.199) 14.968 21.143 ( -0.971 -15.839 -0.569) 15.879 27.978 ( -2.653 2.449 -1.290) 3.834 28.038 ( 3.497 -0.248 1.778) 3.930 38.020 ( -10.105 15.172 1.310) 18.276 38.362 ( 16.605 -3.284 -3.800) 17.348 39.874 ( -12.192 15.111 0.856) 19.435 40.248 ( 21.204 -0.481 -2.044) 21.308 ======================= Grid point 609 (198/231) ======================= q-point: ( 0.54 0.54 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.003 ( 0.000 24.521 -21.909) 32.883 7.052 ( -0.000 30.894 26.042) 40.406 7.755 ( 0.000 -5.280 -28.206) 28.696 8.139 ( -0.000 41.322 33.506) 53.199 9.119 ( -0.000 -23.790 -0.867) 23.805 9.726 ( -0.000 11.577 21.504) 24.422 10.537 ( -0.000 2.773 9.326) 9.729 10.866 ( 0.000 -18.055 -8.150) 19.809 11.127 ( 0.000 -5.823 -4.874) 7.593 11.711 ( -0.000 -13.439 -4.216) 14.084 12.136 ( 0.000 19.150 -18.090) 26.344 13.111 ( -0.000 7.092 11.591) 13.589 13.397 ( -0.000 -25.676 10.679) 27.808 13.830 ( -0.000 4.860 5.637) 7.443 14.416 ( 0.000 1.536 -5.313) 5.530 14.732 ( -0.000 1.325 3.237) 3.498 14.735 ( 0.000 1.325 -4.665) 4.850 16.184 ( 0.000 5.026 -19.953) 20.576 19.055 ( -0.000 -19.227 -2.484) 19.387 19.553 ( -0.000 -12.857 4.196) 13.524 20.594 ( 0.000 8.737 -1.652) 8.891 20.664 ( 0.000 -0.834 -6.461) 6.515 21.741 ( -0.000 -32.467 4.016) 32.714 22.024 ( -0.000 -21.794 7.685) 23.109 27.891 ( 0.000 1.114 -1.504) 1.871 27.922 ( 0.000 5.994 0.520) 6.016 37.228 ( 0.000 3.667 1.435) 3.938 38.346 ( -0.000 15.555 12.627) 20.035 38.854 ( 0.000 18.756 -2.745) 18.956 39.985 ( 0.000 24.900 -14.752) 28.942 ======================= Grid point 610 (199/231) ======================= q-point: ( 0.62 0.54 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.278 ( 18.933 22.918 -19.279) 35.431 7.525 ( 4.040 22.953 21.610) 31.783 7.636 ( 6.630 0.225 -21.049) 22.070 8.518 ( -17.680 35.300 29.634) 49.365 8.917 ( 3.132 -21.299 -0.819) 21.543 9.819 ( -11.646 -7.056 8.058) 15.822 10.501 ( -10.652 0.707 6.698) 12.603 10.670 ( -2.015 -8.307 -0.793) 8.584 11.042 ( 4.930 -7.147 -8.013) 11.815 11.682 ( 20.610 -18.039 -0.961) 27.406 12.281 ( -3.410 26.249 -12.432) 29.244 13.070 ( -1.900 -21.409 10.220) 23.799 13.493 ( 8.910 10.060 9.761) 16.609 13.797 ( -6.594 -1.056 5.878) 8.896 14.324 ( -7.728 -1.734 -6.249) 10.088 14.652 ( -5.220 11.612 -7.823) 14.942 14.893 ( 11.837 -5.476 0.888) 13.073 16.005 ( -10.062 -1.164 -17.017) 19.804 18.961 ( 9.271 -13.334 0.357) 16.244 19.469 ( 0.942 -8.818 2.629) 9.249 20.549 ( -5.959 0.802 -4.080) 7.267 20.657 ( -3.259 6.442 -2.717) 7.714 21.433 ( -3.994 -25.459 2.492) 25.890 21.796 ( -6.684 -19.390 5.102) 21.134 27.895 ( 0.421 0.933 -0.177) 1.039 27.991 ( 1.143 4.803 -0.914) 5.021 37.386 ( 12.576 2.968 1.555) 13.015 38.429 ( -12.022 15.049 9.226) 21.357 39.169 ( 16.166 11.607 -0.254) 19.902 40.126 ( -3.194 22.312 -8.956) 24.253 ======================= Grid point 611 (200/231) ======================= q-point: ( 0.69 0.54 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.614 ( 14.641 -1.203 -20.144) 24.932 7.816 ( 8.245 2.636 8.793) 12.339 7.971 ( 23.757 28.369 -6.809) 37.625 8.671 ( -16.532 14.295 16.241) 27.229 8.817 ( 2.358 3.753 7.845) 9.010 9.388 ( -26.341 -9.463 8.262) 29.183 10.285 ( -9.494 -4.933 -0.847) 10.733 10.379 ( -13.385 -14.007 -7.135) 20.646 11.298 ( 20.989 0.423 4.237) 21.417 11.880 ( 13.037 -6.374 -2.016) 14.651 12.390 ( 1.939 9.563 -7.616) 12.378 12.901 ( -1.727 -15.732 9.951) 18.694 13.503 ( -12.365 -1.507 3.880) 13.047 13.813 ( -12.655 -1.335 -0.885) 12.756 14.225 ( 11.009 5.181 5.119) 13.200 14.707 ( -0.334 17.088 -12.022) 20.896 15.012 ( 11.572 -9.873 -0.976) 15.242 15.669 ( -15.462 -3.398 -11.500) 19.567 19.099 ( 15.336 -6.484 4.391) 17.219 19.442 ( 2.086 -3.217 -0.613) 3.883 20.435 ( -5.001 0.527 -3.745) 6.270 20.596 ( -10.008 6.620 -0.663) 12.017 21.159 ( -1.862 -20.338 1.106) 20.453 21.479 ( -12.294 -14.742 2.602) 19.371 27.926 ( 2.238 0.062 0.901) 2.413 28.035 ( -0.216 3.760 -1.783) 4.167 37.694 ( 18.821 1.228 0.540) 18.869 38.402 ( -12.178 14.363 5.340) 19.573 39.550 ( 18.679 2.975 0.923) 18.937 40.216 ( -7.143 20.256 -2.825) 21.664 ======================= Grid point 623 (201/231) ======================= q-point: ( 0.62 0.62 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.261 ( 0.000 23.711 -13.620) 27.344 7.508 ( 0.000 7.536 -13.802) 15.725 7.730 ( -0.000 2.789 9.341) 9.749 8.764 ( -0.000 -1.691 7.334) 7.526 9.117 ( -0.000 14.874 23.861) 28.117 9.925 ( -0.000 -2.900 9.402) 9.839 10.531 ( 0.000 -2.252 -3.768) 4.390 10.824 ( 0.000 -15.450 -15.706) 22.031 10.879 ( -0.000 10.148 14.703) 17.865 11.162 ( -0.000 -21.582 -1.990) 21.674 12.548 ( 0.000 26.696 -12.930) 29.662 12.881 ( -0.000 -27.080 13.024) 30.049 13.573 ( -0.000 12.900 8.895) 15.669 13.870 ( -0.000 -5.212 2.339) 5.712 14.380 ( 0.000 2.407 -3.761) 4.465 14.649 ( 0.000 -7.453 -6.821) 10.103 14.816 ( 0.000 11.870 -7.958) 14.291 15.954 ( 0.000 -5.376 -18.171) 18.950 18.764 ( -0.000 -8.303 1.413) 8.422 19.387 ( -0.000 -8.554 3.891) 9.397 20.607 ( 0.000 2.605 -6.010) 6.550 20.683 ( -0.000 -0.771 0.679) 1.027 21.299 ( -0.000 -13.226 0.282) 13.229 21.681 ( -0.000 -19.066 4.146) 19.512 27.898 ( 0.000 0.767 -0.591) 0.968 28.019 ( 0.000 3.908 -0.994) 4.032 37.324 ( -0.000 3.321 3.143) 4.572 38.763 ( -0.000 8.414 17.883) 19.764 39.076 ( 0.000 10.104 -9.781) 14.063 40.343 ( 0.000 22.421 -3.742) 22.732 ======================= Grid point 624 (202/231) ======================= q-point: (-0.31 -0.38 -0.77) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.392 ( 3.313 2.483 -10.208) 11.015 7.639 ( 5.747 -5.726 -3.650) 8.896 7.843 ( 16.958 21.750 -5.102) 28.048 8.880 ( -6.543 7.887 12.895) 16.471 9.179 ( -3.980 0.806 14.645) 15.198 9.731 ( -20.917 -9.293 8.483) 24.410 10.365 ( -7.972 -17.660 -13.262) 23.480 10.582 ( -14.362 19.035 6.669) 24.760 11.018 ( 13.857 0.255 3.090) 14.199 11.381 ( 23.551 -9.613 2.593) 25.569 12.611 ( -8.858 13.921 -9.004) 18.797 12.741 ( 3.421 -17.879 11.635) 21.604 13.706 ( -10.213 -4.024 0.630) 10.995 13.821 ( 10.704 -2.294 1.523) 11.053 14.278 ( -10.977 0.241 -0.737) 11.004 14.624 ( 8.677 -3.917 -6.817) 11.708 14.903 ( 1.093 15.965 -11.437) 19.669 15.731 ( -6.605 -6.084 -16.268) 18.582 18.833 ( 11.233 -1.865 4.319) 12.178 19.353 ( 2.544 -6.231 2.588) 7.211 20.531 ( -5.976 1.555 -2.573) 6.690 20.697 ( 1.730 -2.214 -0.609) 2.875 21.126 ( -9.107 -5.124 -0.842) 10.484 21.487 ( -4.516 -15.604 2.433) 16.426 27.906 ( 0.555 0.260 0.150) 0.631 28.053 ( 0.719 2.814 -1.813) 3.424 37.467 ( 10.381 2.190 3.357) 11.128 38.764 ( -12.189 7.817 8.167) 16.624 39.279 ( 15.050 1.488 -1.492) 15.197 40.518 ( -4.216 21.706 0.465) 22.117 ======================= Grid point 637 (203/231) ======================= q-point: (-0.31 -0.31 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.168 ( -0.000 -30.397 -8.179) 31.478 7.764 ( 0.000 23.038 2.683) 23.194 7.817 ( 0.000 24.802 -4.389) 25.188 9.024 ( -0.000 -29.515 -2.929) 29.660 9.222 ( -0.000 19.291 19.200) 27.217 9.964 ( -0.000 -5.166 14.005) 14.927 10.133 ( 0.000 -19.822 -16.014) 25.483 10.840 ( 0.000 -5.131 -3.968) 6.486 11.061 ( -0.000 26.587 13.938) 30.019 11.170 ( -0.000 8.502 6.669) 10.806 12.562 ( -0.000 -22.917 17.940) 29.104 12.793 ( 0.000 12.811 -14.338) 19.228 13.560 ( 0.000 -22.328 -9.410) 24.229 13.753 ( -0.000 -6.816 1.977) 7.097 14.411 ( -0.000 1.941 1.118) 2.240 14.508 ( 0.000 6.543 -4.687) 8.049 14.991 ( 0.000 16.497 -13.065) 21.044 15.619 ( 0.000 -5.129 -19.904) 20.555 18.780 ( -0.000 5.439 6.028) 8.119 19.279 ( -0.000 -6.528 2.561) 7.013 20.567 ( -0.000 -10.883 2.921) 11.268 20.645 ( 0.000 6.863 -4.182) 8.036 21.220 ( 0.000 3.753 -2.046) 4.275 21.374 ( -0.000 -14.725 1.574) 14.809 27.908 ( 0.000 0.598 -0.020) 0.599 28.054 ( 0.000 1.345 -2.015) 2.423 37.423 ( -0.000 1.680 5.201) 5.466 39.048 ( 0.000 1.069 -13.639) 13.681 39.057 ( -0.000 -0.628 20.197) 20.207 40.783 ( 0.000 21.820 2.594) 21.974 ======================= Grid point 736 (204/231) ======================= q-point: ( 0.31 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.719 ( -0.000 0.000 53.408) 53.408 3.719 ( -0.000 0.000 53.408) 53.408 6.205 ( -0.000 0.000 85.197) 85.197 7.751 ( 0.000 -0.000 -39.958) 39.958 7.751 ( 0.000 -0.000 -39.958) 39.958 10.394 ( -0.000 0.000 19.871) 19.871 10.394 ( -0.000 0.000 19.871) 19.871 11.801 ( 0.000 -0.000 -39.904) 39.904 11.954 ( 0.000 -0.000 -10.071) 10.071 11.954 ( 0.000 -0.000 -10.071) 10.071 13.307 ( -0.000 0.000 0.222) 0.222 13.439 ( -0.000 0.000 11.519) 11.519 13.439 ( -0.000 0.000 11.519) 11.519 13.690 ( 0.000 -0.000 -15.470) 15.470 14.145 ( 0.000 -0.000 -1.742) 1.742 14.145 ( 0.000 -0.000 -1.742) 1.742 15.097 ( -0.000 0.000 0.857) 0.857 15.479 ( 0.000 -0.000 -5.734) 5.734 20.147 ( -0.000 0.000 5.788) 5.788 20.147 ( -0.000 0.000 5.788) 5.788 20.765 ( 0.000 -0.000 -6.456) 6.456 20.765 ( 0.000 -0.000 -6.456) 6.456 22.825 ( -0.000 0.000 28.311) 28.311 24.929 ( 0.000 -0.000 -17.598) 17.598 27.489 ( -0.000 0.000 4.606) 4.606 27.923 ( 0.000 -0.000 -4.381) 4.381 37.305 ( -0.000 0.000 1.177) 1.177 37.305 ( 0.000 0.000 1.177) 1.177 37.423 ( 0.000 -0.000 -1.202) 1.202 37.423 ( 0.000 -0.000 -1.202) 1.202 ======================= Grid point 737 (205/231) ======================= q-point: ( 0.38 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.933 ( 7.060 4.076 48.670) 49.348 4.547 ( 27.069 15.628 51.692) 60.407 6.933 ( 23.831 13.759 77.668) 82.399 7.349 ( 0.641 0.370 -40.473) 40.480 7.980 ( 23.760 13.718 -40.526) 48.939 10.254 ( -13.046 -7.532 17.995) 23.468 10.640 ( 2.487 1.436 21.023) 21.218 11.446 ( -11.562 -6.675 -33.391) 35.961 11.797 ( -1.470 -0.849 -25.241) 25.298 11.932 ( -1.305 -0.753 -6.968) 7.129 12.891 ( -21.513 -12.421 7.352) 25.907 13.279 ( -9.512 -5.492 9.031) 14.220 13.515 ( -2.122 -1.225 -10.699) 10.976 13.868 ( 14.345 8.282 13.048) 21.087 14.324 ( 8.755 5.055 -0.532) 10.124 14.464 ( 21.001 12.125 -8.790) 25.794 15.063 ( -2.997 -1.731 -2.309) 4.161 15.385 ( -5.064 -2.924 -6.441) 8.699 20.027 ( -9.912 -5.723 5.064) 12.515 20.254 ( 2.574 1.486 7.063) 7.663 20.616 ( -5.076 -2.931 -6.982) 9.116 20.693 ( -7.451 -4.302 -5.305) 10.108 22.864 ( -10.238 -5.911 26.319) 28.852 24.374 ( -35.224 -20.336 -9.098) 41.678 27.535 ( 2.097 1.211 4.600) 5.198 27.899 ( 0.097 0.056 -4.384) 4.385 37.271 ( -2.378 -1.373 -2.657) 3.821 37.519 ( 10.228 5.905 3.899) 12.437 37.642 ( 30.376 17.538 -13.307) 37.515 37.761 ( 20.891 12.061 0.510) 24.128 ======================= Grid point 738 (206/231) ======================= q-point: ( 0.46 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.533 ( 22.406 12.936 39.478) 47.201 5.389 ( 20.625 11.908 50.627) 55.949 7.317 ( 14.947 8.630 -37.084) 40.903 8.118 ( 42.752 24.683 62.341) 79.520 8.373 ( 29.904 17.265 -39.960) 52.812 9.989 ( -18.781 -10.843 15.210) 26.488 10.740 ( -2.826 -1.632 18.813) 19.094 10.951 ( -14.686 -8.479 -28.929) 33.533 11.627 ( 0.787 0.454 -32.227) 32.240 11.787 ( -9.796 -5.655 -1.330) 11.389 12.609 ( -7.677 -4.433 3.154) 9.409 13.128 ( -6.986 -4.033 11.055) 13.685 13.423 ( 0.281 0.162 -12.040) 12.045 14.140 ( -0.605 -0.349 12.079) 12.099 14.627 ( 17.127 9.888 8.607) 21.568 14.716 ( -0.106 -0.061 2.035) 2.039 14.980 ( 2.536 1.464 -16.386) 16.645 15.197 ( -7.038 -4.063 -7.461) 11.032 19.762 ( -15.070 -8.701 3.523) 17.754 20.322 ( -2.080 -1.201 8.463) 8.797 20.401 ( -13.152 -7.593 -3.477) 15.579 20.481 ( -2.866 -1.655 -5.649) 6.547 22.653 ( -19.175 -11.071 20.111) 29.911 23.481 ( -36.684 -21.180 -0.992) 42.371 27.635 ( 4.212 2.432 3.703) 6.112 27.884 ( 0.740 0.427 -3.738) 3.834 37.240 ( 1.267 0.731 -3.981) 4.242 37.827 ( 13.590 7.846 7.258) 17.289 38.303 ( 33.609 19.404 -27.731) 47.698 38.337 ( 27.769 16.032 2.794) 32.186 ======================= Grid point 739 (207/231) ======================= q-point: ( 0.54 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.345 ( 30.455 17.583 29.874) 46.142 6.077 ( 16.746 9.668 44.873) 48.862 7.576 ( 23.036 13.300 -30.852) 40.736 8.876 ( 32.351 18.678 -38.398) 53.571 9.427 ( 40.207 23.214 46.966) 66.040 9.542 ( -26.197 -15.125 10.268) 31.945 10.527 ( -8.688 -5.016 -23.076) 25.163 10.776 ( -1.073 -0.620 15.705) 15.754 11.470 ( 1.338 0.772 -32.769) 32.805 11.502 ( -14.632 -8.448 6.981) 18.281 12.371 ( -13.711 -7.916 -10.951) 19.251 13.195 ( 6.178 3.567 19.007) 20.302 13.406 ( 4.009 2.315 -11.137) 12.060 14.002 ( -14.401 -8.314 6.256) 17.767 14.553 ( -12.016 -6.937 4.808) 14.684 14.928 ( -3.951 -2.281 -2.258) 5.091 14.952 ( 0.506 0.292 -15.450) 15.461 15.178 ( 13.334 7.698 12.324) 19.721 19.398 ( -17.113 -9.880 1.218) 19.798 20.010 ( -15.071 -8.701 -2.417) 17.570 20.367 ( -1.078 -0.623 8.575) 8.665 20.448 ( 2.198 1.269 -2.399) 3.492 22.238 ( -24.046 -13.883 11.828) 30.180 22.744 ( -27.508 -15.882 -0.378) 31.765 27.751 ( 4.096 2.365 2.499) 5.349 27.896 ( 1.795 1.036 -2.328) 3.117 37.274 ( 3.644 2.104 -4.935) 6.486 38.202 ( 14.350 8.285 10.192) 19.453 38.799 ( 23.931 13.816 -31.574) 41.958 39.023 ( 29.395 16.971 4.693) 34.266 ======================= Grid point 740 (208/231) ======================= q-point: ( 0.62 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.222 ( 32.771 18.921 21.095) 43.324 6.684 ( 17.533 10.123 33.040) 38.750 7.932 ( 17.450 10.075 -24.028) 31.358 8.997 ( -21.128 -12.198 6.045) 25.135 9.361 ( 25.248 14.577 -34.078) 44.847 10.226 ( 11.025 6.365 22.644) 25.977 10.280 ( -3.963 -2.288 -16.950) 17.557 10.809 ( -10.143 -5.856 13.837) 18.128 11.316 ( 0.367 0.212 -28.966) 28.969 11.413 ( 1.194 0.689 21.763) 21.807 11.950 ( -8.179 -4.722 -12.885) 15.976 13.449 ( -1.122 -0.648 -6.840) 6.962 13.554 ( 14.040 8.106 17.933) 24.175 13.652 ( -10.398 -6.003 -3.156) 12.414 14.313 ( -9.459 -5.461 3.389) 11.436 14.744 ( -9.665 -5.580 0.173) 11.161 14.828 ( -4.735 -2.734 -7.308) 9.127 15.530 ( 6.659 3.844 17.478) 19.095 19.034 ( -13.656 -7.884 -0.909) 15.795 19.694 ( -10.808 -6.240 -4.220) 13.174 20.405 ( 0.546 0.315 8.686) 8.708 20.549 ( 6.492 3.748 0.562) 7.517 21.728 ( -23.371 -13.493 4.363) 27.337 22.188 ( -21.110 -12.188 -1.797) 24.442 27.840 ( 2.652 1.531 1.372) 3.356 27.939 ( 2.565 1.481 -0.493) 3.003 37.339 ( 4.247 2.452 -5.455) 7.335 38.575 ( 12.121 6.998 12.430) 18.719 39.056 ( 13.890 8.019 -29.408) 33.498 39.703 ( 27.140 15.669 4.587) 31.672 ======================= Grid point 741 (209/231) ======================= q-point: ( 0.69 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.040 ( 28.880 16.674 12.303) 35.545 7.255 ( 20.009 11.552 16.729) 28.525 7.837 ( -17.487 -10.096 -4.374) 20.660 8.913 ( 13.589 7.845 -9.328) 18.254 9.467 ( -6.081 -3.511 -16.357) 17.800 10.121 ( -2.851 -1.646 -14.323) 14.696 10.428 ( -6.317 -3.647 10.419) 12.719 10.637 ( 5.286 3.052 2.104) 6.457 11.138 ( -19.414 -11.209 1.885) 22.496 11.177 ( 0.183 0.105 -19.812) 19.813 12.311 ( 22.678 13.093 14.430) 29.899 13.073 ( -19.064 -11.006 -8.791) 23.703 13.699 ( 5.765 3.328 -6.092) 9.023 13.850 ( 0.542 0.313 4.824) 4.865 14.288 ( 6.892 3.979 7.270) 10.779 14.516 ( -10.195 -5.886 7.701) 14.068 14.728 ( 0.219 0.127 2.537) 2.549 15.649 ( -4.297 -2.481 17.793) 18.472 18.804 ( -4.900 -2.829 -3.116) 6.459 19.457 ( -8.003 -4.620 -4.358) 10.217 20.498 ( 3.795 2.191 6.810) 8.098 20.686 ( 2.493 1.439 0.120) 2.881 21.292 ( -13.292 -7.674 1.160) 15.392 21.737 ( -17.379 -10.034 -2.490) 20.222 27.889 ( 1.204 0.695 0.520) 1.485 28.001 ( 2.461 1.421 1.134) 3.060 37.397 ( 3.337 1.927 -5.530) 6.740 38.875 ( 7.293 4.211 13.668) 16.054 39.125 ( 5.855 3.380 -25.027) 25.924 40.301 ( 23.211 13.401 2.027) 26.878 ======================= Grid point 750 (210/231) ======================= q-point: ( 0.38 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.316 ( -0.000 17.432 47.622) 50.713 4.831 ( -0.000 34.511 50.484) 61.152 7.036 ( 0.000 -6.986 -41.317) 41.904 7.311 ( -0.000 16.426 77.075) 78.806 7.795 ( 0.000 30.588 -42.892) 52.681 10.359 ( -0.000 -15.650 18.934) 24.565 10.761 ( -0.000 3.242 18.530) 18.811 11.310 ( 0.000 1.818 -40.331) 40.372 11.591 ( 0.000 -17.120 -16.576) 23.830 11.859 ( 0.000 -2.915 -12.477) 12.813 13.001 ( -0.000 -17.862 7.964) 19.557 13.289 ( -0.000 -10.412 -3.818) 11.090 13.581 ( -0.000 -4.438 4.360) 6.221 13.812 ( -0.000 11.263 12.772) 17.029 14.013 ( 0.000 1.981 -5.774) 6.104 14.656 ( 0.000 22.614 -1.814) 22.686 15.130 ( 0.000 10.936 -6.067) 12.507 15.348 ( 0.000 -6.332 -6.491) 9.068 20.158 ( -0.000 -1.820 5.036) 5.355 20.206 ( -0.000 -5.138 7.215) 8.857 20.476 ( 0.000 -15.055 -6.562) 16.423 20.773 ( 0.000 3.207 -6.636) 7.371 23.014 ( -0.000 -12.656 26.203) 29.100 24.310 ( -0.000 -37.740 -11.727) 39.520 27.560 ( -0.000 2.058 4.811) 5.233 27.875 ( 0.000 0.393 -4.591) 4.608 37.162 ( -0.000 -4.827 1.179) 4.969 37.374 ( 0.000 4.623 -2.006) 5.040 37.656 ( 0.000 15.981 0.241) 15.983 37.927 ( 0.000 45.538 -7.928) 46.223 ======================= Grid point 751 (211/231) ======================= q-point: ( 0.46 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.800 ( 1.994 29.850 41.656) 51.286 5.592 ( 11.446 29.970 49.427) 58.926 6.890 ( 13.533 2.169 -39.483) 41.794 7.975 ( 14.447 26.402 -43.689) 53.052 8.132 ( 24.881 23.208 66.720) 74.895 10.210 ( -9.895 -15.789 17.320) 25.440 10.840 ( -0.473 -0.646 5.206) 5.267 10.960 ( -16.055 -6.790 -23.203) 29.022 11.403 ( 4.229 -5.067 -23.909) 24.803 11.755 ( 0.988 -8.117 -9.885) 12.829 12.758 ( -12.013 -7.894 8.947) 16.932 13.163 ( -0.335 -8.510 -6.321) 10.606 13.508 ( -7.494 1.581 7.174) 10.494 13.975 ( 9.333 -4.962 -0.277) 10.574 14.343 ( 21.816 6.894 9.519) 24.780 14.757 ( -0.060 -1.787 5.717) 5.990 15.100 ( -11.370 2.685 -10.767) 15.887 15.290 ( -2.360 16.860 -12.424) 21.075 19.971 ( -13.689 -5.984 4.744) 15.675 20.232 ( 1.686 -18.171 -3.274) 18.541 20.339 ( 2.478 -3.625 4.646) 6.392 20.676 ( -9.367 2.874 -6.075) 11.529 22.896 ( -11.327 -18.094 21.426) 30.246 23.662 ( -20.192 -38.620 -5.566) 43.934 27.632 ( 2.136 3.488 4.240) 5.891 27.859 ( 0.426 1.031 -4.216) 4.361 37.276 ( 4.692 2.618 1.085) 5.482 37.428 ( 12.083 2.014 -4.022) 12.893 38.033 ( 19.302 18.654 3.046) 27.015 38.385 ( 6.380 45.252 -14.266) 47.875 ======================= Grid point 752 (212/231) ======================= q-point: ( 0.54 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.449 ( 10.524 35.382 33.684) 49.972 6.272 ( 7.254 20.093 47.478) 52.062 7.094 ( 25.232 10.913 -33.453) 43.299 8.289 ( 25.719 15.159 -42.910) 52.274 9.275 ( 36.638 24.710 51.517) 67.874 9.890 ( -21.129 -14.216 14.913) 29.511 10.490 ( -10.347 -9.894 -21.375) 25.726 10.839 ( -0.699 0.872 1.003) 1.501 11.287 ( -0.858 -0.044 -22.512) 22.529 11.594 ( -4.005 -10.028 -4.609) 11.741 12.558 ( -14.375 -0.199 2.140) 14.535 13.076 ( 5.894 -8.754 -1.628) 10.678 13.494 ( -3.412 8.749 5.975) 11.130 14.014 ( 3.034 -10.418 -0.438) 10.859 14.583 ( 0.866 -15.248 5.775) 16.328 14.784 ( -9.939 -9.103 -11.356) 17.624 14.970 ( 14.825 9.108 15.472) 23.284 15.326 ( -8.693 22.319 -12.757) 27.138 19.654 ( -18.392 -5.451 2.244) 19.313 20.000 ( -2.433 -20.046 -3.257) 20.454 20.387 ( 0.404 -2.246 7.589) 7.925 20.518 ( -6.778 3.521 -4.105) 8.671 22.527 ( -19.980 -20.249 13.618) 31.538 22.925 ( -20.894 -30.835 -2.301) 37.318 27.737 ( 2.974 3.779 3.166) 5.758 27.868 ( 1.377 1.928 -3.154) 3.945 37.322 ( -3.811 11.156 -1.663) 11.906 37.784 ( 28.608 -5.369 -2.700) 29.232 38.614 ( 18.827 22.911 1.581) 29.697 38.858 ( 13.373 33.475 -12.931) 38.296 ======================= Grid point 753 (213/231) ======================= q-point: ( 0.62 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.207 ( 16.017 35.846 25.744) 46.949 6.798 ( 6.657 14.420 38.976) 42.087 7.529 ( 26.745 15.833 -26.753) 41.009 8.657 ( 33.712 1.256 -39.215) 51.729 9.350 ( -26.973 -13.190 8.003) 31.074 10.196 ( 0.570 -11.262 -10.610) 15.483 10.249 ( 13.124 9.243 29.729) 33.786 10.910 ( 4.949 9.222 -2.746) 10.820 11.080 ( -7.181 -10.856 -11.299) 17.236 11.515 ( 8.637 4.293 0.181) 9.647 12.199 ( -27.234 3.606 -4.764) 27.882 13.198 ( 15.334 -6.696 -1.022) 16.764 13.640 ( 2.478 11.615 8.963) 14.879 13.841 ( -12.660 -4.398 -3.107) 13.757 14.325 ( -7.621 -16.668 0.944) 18.352 14.599 ( 5.010 -12.926 -6.370) 15.257 15.111 ( -15.970 12.284 -2.158) 20.263 15.501 ( 11.569 4.331 13.735) 18.473 19.287 ( -19.559 -1.888 -0.235) 19.651 19.740 ( -6.113 -12.772 -2.715) 14.417 20.411 ( 1.425 -2.661 6.779) 7.420 20.501 ( 2.501 2.013 -0.044) 3.211 21.999 ( -23.616 -19.305 5.543) 31.002 22.328 ( -16.332 -22.980 -2.241) 28.281 27.832 ( 2.160 3.173 1.992) 4.324 27.909 ( 2.405 2.318 -1.492) 3.658 37.370 ( -2.682 12.008 -2.897) 12.640 38.207 ( 27.708 -6.081 -2.167) 28.450 39.019 ( 3.218 26.997 -10.525) 29.155 39.431 ( 25.484 17.469 2.208) 30.976 ======================= Grid point 754 (214/231) ======================= q-point: ( 0.69 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.947 ( 15.418 28.776 19.672) 38.115 7.258 ( 10.637 16.416 22.470) 29.792 7.866 ( 6.749 7.363 -17.560) 20.202 8.853 ( -4.924 -4.241 -1.245) 6.617 9.070 ( 24.410 -5.620 -27.105) 36.907 9.988 ( -0.534 -16.192 -12.664) 20.563 10.403 ( 0.007 -7.023 12.336) 14.195 10.735 ( -10.727 -19.398 2.399) 22.296 11.011 ( -2.502 12.135 -8.798) 15.196 11.723 ( -30.123 10.032 -5.176) 32.169 12.049 ( 27.654 12.542 13.775) 33.344 13.216 ( -11.123 -11.858 -6.596) 17.545 13.622 ( 4.032 5.154 -3.763) 7.549 13.849 ( 0.595 4.365 -1.569) 4.676 14.201 ( 5.515 -5.277 7.979) 11.042 14.573 ( 6.870 -7.205 1.344) 10.046 14.882 ( -18.146 5.749 2.256) 19.169 15.718 ( 3.416 -5.337 16.427) 17.607 18.982 ( -15.322 3.764 -1.959) 15.899 19.520 ( -6.927 -5.454 -3.498) 9.484 20.461 ( 3.611 -3.208 6.275) 7.919 20.622 ( 7.572 1.177 1.487) 7.806 21.451 ( -19.513 -16.036 0.283) 25.259 21.862 ( -13.708 -16.967 -2.756) 21.986 27.889 ( 0.612 2.004 0.560) 2.169 27.978 ( 2.994 2.282 0.636) 3.818 37.427 ( -2.396 11.370 -3.393) 12.105 38.561 ( 22.064 -6.697 -3.900) 23.386 39.203 ( -2.875 21.094 -7.107) 22.444 40.027 ( 24.391 11.416 3.442) 27.149 ======================= Grid point 764 (215/231) ======================= q-point: ( 0.46 0.46 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.353 ( -0.000 34.949 39.205) 52.521 6.146 ( -0.000 42.203 46.087) 62.491 6.573 ( 0.000 6.602 -39.265) 39.817 7.850 ( 0.000 21.291 -46.171) 50.843 8.498 ( -0.000 21.774 63.212) 66.857 10.191 ( -0.000 -21.913 16.098) 27.190 10.836 ( 0.000 14.934 -25.342) 29.415 11.004 ( 0.000 -20.328 -14.640) 25.051 11.193 ( -0.000 3.211 3.468) 4.726 11.571 ( 0.000 -10.648 -12.788) 16.640 12.901 ( -0.000 -4.231 10.901) 11.693 12.919 ( 0.000 -17.678 -11.419) 21.045 13.589 ( -0.000 -1.080 6.552) 6.640 14.094 ( -0.000 1.481 9.206) 9.324 14.135 ( 0.000 10.996 1.857) 11.152 14.728 ( -0.000 -9.345 8.865) 12.880 15.094 ( 0.000 -10.879 -7.299) 13.101 15.498 ( 0.000 32.398 -19.958) 38.051 19.968 ( -0.000 -21.269 -3.905) 21.624 20.104 ( -0.000 -12.839 6.929) 14.590 20.286 ( -0.000 2.904 1.512) 3.274 20.737 ( 0.000 0.699 -6.963) 6.998 22.901 ( -0.000 -23.540 18.808) 30.131 23.374 ( -0.000 -44.519 -4.987) 44.797 27.677 ( -0.000 4.552 3.951) 6.028 27.844 ( 0.000 1.517 -4.037) 4.313 37.130 ( -0.000 -0.218 1.131) 1.151 37.586 ( 0.000 16.045 3.577) 16.439 38.025 ( 0.000 20.483 0.118) 20.483 38.707 ( 0.000 43.906 -15.538) 46.575 ======================= Grid point 765 (216/231) ======================= q-point: ( 0.54 0.46 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.938 ( 1.970 39.611 33.876) 52.159 6.613 ( 16.414 15.068 -31.184) 38.326 6.794 ( -1.807 34.194 42.139) 54.298 7.849 ( 11.441 9.922 -45.486) 47.941 9.259 ( 23.822 21.068 49.609) 58.927 10.017 ( -2.455 -22.614 13.874) 26.644 10.526 ( -20.784 -13.970 -10.925) 27.322 10.884 ( -0.221 24.353 -31.249) 39.618 11.254 ( -2.149 -4.272 6.261) 7.879 11.436 ( 3.835 -10.573 -9.410) 14.664 12.682 ( 2.616 -14.995 0.221) 15.223 12.931 ( -2.974 -0.063 -1.260) 3.230 13.622 ( -0.237 -0.567 9.958) 9.977 13.957 ( -6.144 3.446 -3.999) 8.101 14.394 ( 6.028 -12.940 8.880) 16.811 14.835 ( -0.744 -8.036 3.389) 8.753 14.853 ( 5.209 0.469 1.350) 5.402 15.624 ( -6.734 25.545 -19.523) 32.849 19.746 ( 2.483 -22.127 -3.157) 22.489 19.883 ( -12.149 -10.304 3.619) 16.336 20.375 ( 2.774 1.385 3.500) 4.676 20.636 ( -6.580 0.175 -6.347) 9.144 22.648 ( -11.111 -25.258 13.050) 30.524 22.824 ( -10.179 -39.685 -2.656) 41.056 27.759 ( 1.447 4.794 3.114) 5.897 27.850 ( 1.036 2.307 -3.331) 4.182 37.298 ( 17.028 0.109 0.650) 17.040 37.648 ( -11.183 18.684 2.104) 21.876 38.472 ( 21.711 20.202 5.039) 30.081 39.041 ( 1.413 37.801 -16.434) 41.243 ======================= Grid point 766 (217/231) ======================= q-point: ( 0.62 0.46 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.589 ( 6.022 42.673 26.947) 50.827 7.036 ( 27.928 20.567 -22.912) 41.568 7.233 ( -5.584 23.138 38.186) 44.997 7.933 ( 21.925 -0.588 -41.753) 47.163 9.680 ( -12.951 -16.616 15.206) 25.982 9.935 ( -5.715 -22.742 -13.339) 26.977 10.286 ( 15.968 14.803 35.906) 41.992 10.888 ( -2.226 10.526 -33.178) 34.879 11.179 ( -6.197 3.790 11.487) 13.591 11.360 ( 3.950 -3.019 -9.584) 10.797 12.684 ( -8.239 3.260 7.259) 11.455 12.812 ( 5.953 -7.658 -7.765) 12.425 13.726 ( 4.102 1.944 12.676) 13.464 13.898 ( -1.115 0.956 -6.927) 7.081 14.309 ( -1.299 -14.236 5.101) 15.178 14.441 ( -13.275 -11.790 -9.482) 20.128 15.278 ( 16.531 0.967 16.623) 23.463 15.551 ( -12.824 15.165 -15.451) 25.162 19.576 ( -11.730 -7.934 0.849) 14.186 19.596 ( 0.257 -13.598 -1.560) 13.689 20.421 ( -0.270 -0.992 4.836) 4.944 20.500 ( -3.940 -0.184 -4.505) 5.988 22.199 ( -18.910 -22.715 6.380) 30.236 22.270 ( -10.527 -31.681 -1.907) 33.439 27.847 ( 1.850 3.879 2.363) 4.904 27.887 ( 1.839 3.022 -2.396) 4.272 37.620 ( 0.188 12.945 4.179) 13.604 37.699 ( 14.333 5.095 -5.120) 16.050 39.101 ( 21.766 17.676 10.264) 29.858 39.314 ( 3.054 28.920 -15.348) 32.882 ======================= Grid point 767 (218/231) ======================= q-point: ( 0.69 0.46 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.274 ( 7.146 43.845 20.118) 48.767 7.481 ( -4.073 14.717 29.610) 33.316 7.629 ( 20.432 19.687 -19.157) 34.235 8.178 ( 36.877 -3.323 -33.561) 49.973 9.198 ( -26.959 -10.735 7.197) 29.897 9.630 ( 5.634 -28.731 -9.846) 30.890 10.505 ( -10.178 -8.880 12.359) 18.308 10.653 ( -4.608 -15.189 -9.771) 18.639 11.270 ( -7.553 21.708 -2.080) 23.079 11.632 ( 25.801 4.988 3.369) 26.494 12.430 ( -26.323 16.287 3.315) 31.132 12.991 ( 18.477 -12.085 -2.188) 22.186 13.709 ( -13.935 -5.132 -2.847) 15.120 13.854 ( 0.790 -3.860 -3.888) 5.535 14.164 ( -1.227 3.574 3.567) 5.197 14.339 ( 12.187 -4.016 2.000) 12.987 15.286 ( -19.298 7.670 -4.324) 21.212 15.597 ( 11.359 -9.419 11.583) 18.760 19.300 ( -15.921 3.777 -1.820) 16.464 19.507 ( 0.808 -8.167 -0.349) 8.214 20.418 ( 0.115 -2.607 4.438) 5.149 20.485 ( 5.592 -2.935 -1.000) 6.394 21.653 ( -22.061 -17.697 1.114) 28.304 21.827 ( -7.870 -24.290 -2.241) 25.631 27.913 ( 0.073 3.354 0.129) 3.357 27.948 ( 3.371 2.219 0.305) 4.047 37.667 ( -8.958 18.459 0.255) 20.520 38.079 ( 24.635 -2.378 -3.958) 25.064 39.453 ( -3.616 23.739 -4.480) 24.427 39.737 ( 23.924 9.813 4.138) 26.187 ======================= Grid point 778 (219/231) ======================= q-point: ( 0.54 0.54 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.388 ( 0.000 24.412 -18.013) 30.338 6.532 ( -0.000 32.802 17.770) 37.307 7.497 ( -0.000 43.360 41.580) 60.075 7.574 ( 0.000 4.707 -43.422) 43.677 9.447 ( -0.000 6.286 34.649) 35.214 9.828 ( -0.000 -20.526 9.583) 22.653 10.641 ( -0.000 -7.356 5.108) 8.956 10.921 ( 0.000 17.902 -38.698) 42.638 11.224 ( 0.000 -5.091 -6.805) 8.499 11.353 ( -0.000 6.205 11.163) 12.772 12.362 ( -0.000 -25.544 -10.284) 27.537 13.034 ( -0.000 4.389 11.474) 12.285 13.675 ( 0.000 8.147 -4.484) 9.299 13.964 ( -0.000 -21.444 6.507) 22.409 14.388 ( -0.000 4.041 10.001) 10.786 14.738 ( -0.000 -0.259 7.715) 7.719 14.796 ( 0.000 -8.944 -6.544) 11.082 15.803 ( 0.000 21.002 -21.482) 30.042 19.469 ( -0.000 -23.180 -3.140) 23.391 19.874 ( -0.000 -16.256 5.120) 17.043 20.411 ( 0.000 7.604 0.020) 7.604 20.648 ( 0.000 -1.116 -7.507) 7.589 22.489 ( -0.000 -39.989 -1.834) 40.031 22.552 ( -0.000 -26.539 10.311) 28.471 27.815 ( -0.000 5.348 2.361) 5.846 27.845 ( 0.000 2.301 -2.842) 3.657 37.170 ( -0.000 2.688 1.544) 3.100 38.057 ( -0.000 20.560 13.129) 24.394 38.436 ( 0.000 21.212 -2.644) 21.376 39.307 ( 0.000 34.487 -14.550) 37.431 ======================= Grid point 779 (220/231) ======================= q-point: ( 0.62 0.54 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.651 ( 20.688 25.168 -26.703) 42.124 7.065 ( 2.936 35.786 27.470) 45.210 7.455 ( 8.928 2.511 -38.308) 39.415 7.988 ( -15.909 36.018 40.050) 56.164 9.434 ( 4.877 -29.625 -0.594) 30.030 9.967 ( 0.878 -1.630 14.141) 14.262 10.498 ( -9.053 5.744 22.221) 24.672 10.796 ( -1.327 -1.668 -24.453) 24.546 11.177 ( 1.675 -8.723 -7.268) 11.477 11.505 ( -5.331 25.700 -0.272) 26.249 12.215 ( 18.575 -22.906 -5.911) 30.077 13.116 ( -7.463 10.114 6.979) 14.377 13.713 ( 1.863 -2.239 5.297) 6.045 13.807 ( 2.431 -10.925 -1.297) 11.267 14.310 ( -8.133 -3.530 1.106) 8.935 14.574 ( -12.774 -5.060 -3.234) 14.116 15.011 ( 19.005 -2.490 8.250) 20.868 15.790 ( -7.793 12.925 -19.055) 24.308 19.294 ( 6.607 -19.682 -1.042) 20.787 19.693 ( -5.756 -11.865 2.913) 13.506 20.467 ( -2.042 5.150 -0.594) 5.572 20.558 ( -4.190 0.202 -6.006) 7.326 22.055 ( -5.215 -34.525 -0.883) 34.928 22.258 ( -9.840 -24.192 6.045) 26.807 27.860 ( 1.008 2.399 -0.637) 2.679 27.891 ( 1.211 4.795 0.037) 4.946 37.336 ( 13.910 2.677 1.289) 14.224 38.114 ( -16.589 20.888 7.357) 27.670 38.901 ( 22.787 16.465 4.407) 28.457 39.546 ( -1.260 30.156 -11.178) 32.185 ======================= Grid point 792 (221/231) ======================= q-point: (-0.38 -0.38 -0.69) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.598 ( 0.000 29.885 -23.448) 37.986 7.231 ( 0.000 7.629 -32.089) 32.984 7.512 ( -0.000 27.896 26.083) 38.190 8.752 ( -0.000 36.099 37.146) 51.797 9.083 ( -0.000 -27.130 -3.765) 27.390 10.020 ( -0.000 -0.305 14.796) 14.799 10.607 ( 0.000 -6.708 -20.692) 21.752 10.843 ( -0.000 5.338 25.517) 26.070 11.013 ( 0.000 -10.861 -9.747) 14.593 11.709 ( -0.000 -30.478 -3.012) 30.626 11.835 ( 0.000 33.516 -10.588) 35.149 13.297 ( -0.000 5.098 10.348) 11.536 13.559 ( -0.000 -20.965 8.032) 22.451 13.797 ( 0.000 11.502 -9.630) 15.001 14.358 ( -0.000 -7.513 -2.167) 7.820 14.725 ( -0.000 -0.026 3.673) 3.673 14.754 ( -0.000 -4.746 -0.232) 4.751 15.845 ( 0.000 6.849 -19.795) 20.946 19.030 ( -0.000 -17.719 -0.506) 17.726 19.624 ( -0.000 -13.107 4.201) 13.764 20.544 ( 0.000 -0.093 -7.798) 7.799 20.567 ( 0.000 8.497 -1.444) 8.619 21.770 ( -0.000 -30.621 -0.523) 30.625 22.131 ( -0.000 -23.740 4.968) 24.254 27.865 ( 0.000 2.091 -1.536) 2.595 27.931 ( 0.000 4.535 0.491) 4.561 37.266 ( -0.000 4.128 3.212) 5.231 38.630 ( -0.000 16.210 21.173) 26.666 38.756 ( 0.000 16.388 -8.705) 18.556 39.800 ( 0.000 28.940 -7.702) 29.948 ======================= Grid point 920 (222/231) ======================= q-point: ( 0.38 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.604 ( -0.000 0.000 51.800) 51.800 4.604 ( -0.000 0.000 51.800) 51.800 7.044 ( 0.000 -0.000 -44.031) 44.031 7.044 ( 0.000 -0.000 -44.031) 44.031 7.591 ( -0.000 0.000 79.437) 79.437 10.744 ( -0.000 0.000 21.479) 21.479 10.744 ( -0.000 0.000 21.479) 21.479 11.012 ( 0.000 -0.000 -53.443) 53.443 11.738 ( 0.000 -0.000 -15.356) 15.356 11.738 ( 0.000 -0.000 -15.356) 15.356 13.312 ( -0.000 0.000 0.495) 0.495 13.487 ( 0.000 -0.000 -8.929) 8.929 13.638 ( -0.000 0.000 11.846) 11.846 13.638 ( -0.000 0.000 11.846) 11.846 14.091 ( 0.000 -0.000 -4.817) 4.817 14.091 ( 0.000 -0.000 -4.817) 4.817 15.127 ( -0.000 0.000 2.743) 2.743 15.378 ( 0.000 -0.000 -6.161) 6.161 20.256 ( -0.000 0.000 7.086) 7.086 20.256 ( -0.000 0.000 7.086) 7.086 20.647 ( 0.000 -0.000 -7.456) 7.456 20.647 ( 0.000 -0.000 -7.456) 7.456 23.305 ( -0.000 0.000 28.538) 28.538 24.600 ( 0.000 -0.000 -21.382) 21.382 27.572 ( -0.000 0.000 5.208) 5.208 27.844 ( 0.000 -0.000 -5.057) 5.057 37.327 ( -0.000 0.000 1.386) 1.386 37.327 ( 0.000 0.000 1.386) 1.386 37.401 ( 0.000 0.000 -1.401) 1.401 37.401 ( 0.000 -0.000 -1.401) 1.401 ======================= Grid point 921 (223/231) ======================= q-point: ( 0.46 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.748 ( 2.204 1.272 48.064) 48.131 5.407 ( 26.447 15.269 50.499) 59.015 6.643 ( 2.803 1.619 -43.369) 43.489 7.262 ( 24.871 14.359 -44.584) 53.032 8.203 ( 16.396 9.466 72.978) 75.394 10.543 ( -12.941 -7.472 4.085) 15.492 10.738 ( -3.757 -2.169 -36.729) 36.984 10.995 ( 1.413 0.816 20.830) 20.894 11.420 ( -10.332 -5.965 -21.047) 24.194 11.758 ( 2.378 1.373 -13.462) 13.739 12.993 ( -18.500 -10.681 5.264) 22.001 13.347 ( -4.121 -2.379 -8.586) 9.816 13.457 ( -10.260 -5.924 11.515) 16.521 14.099 ( 15.841 9.146 12.223) 22.000 14.283 ( 18.615 10.747 -12.340) 24.785 14.299 ( 13.546 7.821 -1.590) 15.723 15.071 ( -6.292 -3.633 2.714) 7.756 15.274 ( -5.771 -3.332 -6.595) 9.375 20.123 ( -11.065 -6.388 6.219) 14.210 20.380 ( 3.023 1.745 7.885) 8.623 20.496 ( -4.512 -2.605 -7.209) 8.894 20.590 ( -5.927 -3.422 -6.818) 9.661 23.301 ( -13.780 -7.956 25.379) 29.955 24.154 ( -26.051 -15.040 -16.459) 34.289 27.617 ( 1.613 0.931 5.126) 5.454 27.820 ( 0.491 0.283 -4.969) 5.001 37.235 ( -3.634 -2.098 -1.692) 4.525 37.473 ( 17.937 10.356 -7.416) 22.000 37.581 ( 12.564 7.254 3.385) 14.897 37.768 ( 22.597 13.046 0.495) 26.098 ======================= Grid point 922 (224/231) ======================= q-point: ( 0.54 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.210 ( 15.447 8.918 40.650) 44.391 6.232 ( 19.300 11.143 49.532) 54.315 6.680 ( 19.621 11.328 -38.612) 44.768 7.669 ( 31.719 18.313 -43.505) 56.869 9.149 ( 32.382 18.696 59.584) 70.345 10.249 ( -19.766 -11.412 12.914) 26.224 10.355 ( -7.093 -4.095 -40.974) 41.784 11.048 ( -5.108 -2.949 17.466) 18.435 11.116 ( -3.873 -2.236 -26.312) 26.689 11.685 ( -3.206 -1.851 -10.577) 11.206 12.658 ( -14.833 -8.564 4.092) 17.610 13.239 ( -0.476 -0.275 -10.086) 10.101 13.353 ( -3.428 -1.979 14.030) 14.578 14.253 ( -2.223 -1.283 1.506) 2.976 14.583 ( 13.364 7.716 -16.785) 22.801 14.817 ( 20.557 11.868 12.466) 26.811 14.882 ( -11.223 -6.480 3.674) 13.470 15.080 ( -4.659 -2.690 -5.120) 7.427 19.827 ( -16.896 -9.755 4.184) 19.954 20.320 ( -13.668 -7.891 -5.349) 16.665 20.393 ( -0.853 -0.493 -4.692) 4.795 20.470 ( 0.647 0.373 8.475) 8.508 22.971 ( -24.796 -14.316 17.347) 33.477 23.393 ( -31.316 -18.080 -9.106) 37.289 27.702 ( 3.205 1.851 4.198) 5.597 27.818 ( 1.699 0.981 -4.135) 4.577 37.185 ( 0.263 0.152 -2.552) 2.570 37.927 ( 25.049 14.462 -17.600) 33.858 37.937 ( 15.937 9.201 5.568) 19.227 38.395 ( 29.723 17.161 4.472) 34.611 ======================= Grid point 923 (225/231) ======================= q-point: ( 0.62 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.868 ( 23.352 13.482 31.988) 41.837 6.829 ( 10.301 5.947 44.542) 46.103 7.048 ( 28.024 16.180 -31.871) 45.419 8.200 ( 34.736 20.055 -41.323) 57.588 9.682 ( -28.789 -16.622 3.857) 33.466 10.128 ( -0.173 -0.100 -24.384) 24.385 10.210 ( 28.359 16.373 45.162) 55.784 10.934 ( 0.902 0.521 -28.112) 28.131 11.028 ( -2.239 -1.293 13.946) 14.184 11.525 ( -3.845 -2.220 -5.353) 6.955 12.265 ( -21.136 -12.203 -0.070) 24.406 13.222 ( 4.224 2.439 -10.933) 11.972 13.492 ( 7.588 4.381 15.443) 17.755 14.037 ( -16.496 -9.524 -1.651) 19.119 14.584 ( -9.344 -5.395 -6.560) 12.627 14.737 ( 1.620 0.935 -4.208) 4.605 14.851 ( -3.684 -2.127 -5.821) 7.210 15.457 ( 17.558 10.137 19.275) 27.974 19.426 ( -18.849 -10.882 2.087) 21.865 19.953 ( -14.964 -8.640 -4.160) 17.773 20.419 ( 4.473 2.583 -1.041) 5.269 20.513 ( -0.833 -0.481 8.516) 8.570 22.406 ( -29.469 -17.014 7.776) 34.905 22.690 ( -25.950 -14.982 -5.871) 30.535 27.797 ( 3.054 1.763 2.830) 4.522 27.855 ( 3.182 1.837 -2.449) 4.416 37.208 ( 2.788 1.610 -3.025) 4.417 38.351 ( 20.938 12.089 -21.896) 32.619 38.352 ( 16.643 9.609 7.271) 20.548 39.123 ( 29.661 17.125 7.823) 35.131 ======================= Grid point 934 (226/231) ======================= q-point: ( 0.46 0.46 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.114 ( -0.000 11.218 47.052) 48.371 5.672 ( -0.000 31.852 49.364) 58.748 6.312 ( 0.000 -4.618 -44.408) 44.647 7.043 ( 0.000 30.173 -46.307) 55.270 8.565 ( -0.000 10.251 71.483) 72.214 10.405 ( 0.000 4.957 -55.226) 55.448 10.694 ( -0.000 -17.825 20.611) 27.250 11.168 ( -0.000 6.980 18.769) 20.025 11.288 ( 0.000 -16.955 -19.056) 25.507 11.627 ( 0.000 -1.791 -15.446) 15.549 13.118 ( -0.000 -11.934 6.290) 13.490 13.183 ( 0.000 -15.572 -6.706) 16.955 13.714 ( -0.000 -5.751 5.425) 7.906 13.930 ( 0.000 7.877 -0.972) 7.937 14.008 ( -0.000 10.526 10.334) 14.751 14.564 ( 0.000 32.589 -8.872) 33.775 15.100 ( -0.000 -4.612 1.999) 5.026 15.239 ( 0.000 -6.903 -6.326) 9.363 20.250 ( -0.000 -5.489 5.443) 7.730 20.333 ( -0.000 -5.279 7.837) 9.450 20.365 ( 0.000 -12.213 -6.195) 13.695 20.652 ( 0.000 3.631 -7.696) 8.509 23.444 ( -0.000 -17.060 24.640) 29.969 24.054 ( 0.000 -27.942 -18.258) 33.378 27.645 ( -0.000 1.510 5.226) 5.439 27.793 ( 0.000 0.882 -5.087) 5.162 37.186 ( -0.000 -4.935 1.555) 5.174 37.355 ( 0.000 6.755 0.050) 6.755 37.653 ( 0.000 16.478 -0.666) 16.492 37.829 ( 0.000 35.566 -4.052) 35.796 ======================= Grid point 935 (227/231) ======================= q-point: ( 0.54 0.46 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.506 ( -0.822 22.912 42.011) 47.860 6.203 ( 16.278 6.185 -39.127) 42.827 6.421 ( 13.011 28.009 46.197) 55.570 7.215 ( 16.204 25.543 -46.479) 55.456 9.216 ( 18.149 14.309 61.538) 65.735 10.172 ( -1.992 12.314 -50.014) 51.546 10.544 ( -11.209 -16.894 17.761) 26.953 10.864 ( -8.097 -19.579 -17.235) 27.312 11.310 ( -4.575 3.225 12.592) 13.780 11.553 ( 4.242 -6.096 -13.963) 15.815 12.897 ( -13.549 -5.437 7.937) 16.617 13.031 ( 3.121 -13.001 -8.146) 15.656 13.689 ( -12.725 6.102 12.190) 18.649 13.879 ( 12.125 -7.662 -9.504) 17.206 14.553 ( 23.919 7.270 13.819) 28.565 14.762 ( -3.674 20.496 -8.475) 22.482 14.998 ( -6.563 -5.488 2.362) 8.875 15.111 ( -2.786 0.940 -9.070) 9.535 20.057 ( -14.800 -7.336 5.396) 17.377 20.150 ( 0.411 -18.255 -5.487) 19.067 20.446 ( 5.884 -3.619 7.058) 9.876 20.565 ( -7.962 3.259 -6.954) 11.063 23.233 ( -14.580 -23.515 18.321) 33.184 23.501 ( -16.508 -30.913 -13.156) 37.433 27.707 ( 1.631 2.529 4.608) 5.504 27.785 ( 0.870 1.823 -4.575) 5.001 37.306 ( 0.217 6.357 2.552) 6.854 37.361 ( 10.133 1.996 -3.794) 11.003 38.098 ( 22.171 20.818 4.883) 30.803 38.204 ( 6.122 36.027 -8.008) 37.411 ======================= Grid point 936 (228/231) ======================= q-point: ( 0.62 0.46 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.026 ( 6.078 28.877 34.532) 45.423 6.517 ( 29.886 15.542 -33.520) 47.522 7.072 ( 4.680 17.600 46.345) 49.794 7.550 ( 28.759 14.728 -44.729) 55.179 9.974 ( -12.209 2.807 -16.251) 20.520 10.050 ( 8.319 6.083 5.844) 11.848 10.221 ( 2.361 8.848 30.411) 31.760 10.577 ( 7.154 -17.683 -18.761) 26.755 11.259 ( -9.248 1.148 10.227) 13.836 11.451 ( 0.208 -7.930 -11.715) 14.148 12.619 ( -22.001 0.433 4.982) 22.562 12.995 ( 10.887 -9.503 -6.163) 15.711 13.640 ( -6.665 10.341 7.636) 14.480 13.958 ( 9.836 -12.636 -4.516) 16.638 14.578 ( -14.033 -5.564 -12.194) 19.405 14.702 ( -1.438 -15.217 7.968) 17.237 15.064 ( -8.040 19.584 -11.476) 24.080 15.307 ( 22.225 8.416 16.835) 29.123 19.696 ( -20.050 -7.354 2.769) 21.535 19.943 ( -1.760 -18.170 -3.484) 18.585 20.438 ( -4.621 3.468 -3.548) 6.780 20.523 ( 2.709 -3.763 6.720) 8.164 22.721 ( -24.662 -24.762 9.009) 36.090 22.832 ( -18.950 -26.655 -8.374) 33.760 27.793 ( 2.173 2.870 3.334) 4.907 27.814 ( 2.431 2.808 -3.204) 4.905 37.305 ( -7.087 13.588 -0.489) 15.333 37.713 ( 27.842 -4.253 -4.939) 28.595 38.566 ( 3.578 34.250 -5.978) 34.952 38.832 ( 29.824 18.767 7.807) 36.092 ======================= Grid point 948 (229/231) ======================= q-point: ( 0.54 0.54 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.879 ( 0.000 12.497 -31.438) 33.831 6.037 ( -0.000 27.621 30.356) 41.042 6.914 ( -0.000 38.473 42.623) 57.419 7.059 ( 0.000 21.978 -45.353) 50.398 9.507 ( -0.000 9.878 56.007) 56.871 10.099 ( 0.000 27.053 -52.518) 59.076 10.403 ( -0.000 -29.415 3.204) 29.589 10.840 ( -0.000 -10.236 1.423) 10.334 11.309 ( 0.000 -7.250 -11.069) 13.232 11.465 ( -0.000 -1.479 12.264) 12.353 12.759 ( -0.000 -19.222 -7.806) 20.747 13.074 ( -0.000 -2.268 9.825) 10.084 13.558 ( 0.000 -1.696 -9.012) 9.170 14.217 ( -0.000 -0.864 5.163) 5.235 14.294 ( -0.000 13.070 15.554) 20.316 14.865 ( -0.000 -3.823 6.491) 7.534 14.976 ( 0.000 -11.665 -6.597) 13.401 15.182 ( 0.000 25.095 -16.530) 30.050 19.899 ( -0.000 -21.301 -4.270) 21.725 20.219 ( -0.000 -14.112 6.552) 15.559 20.326 ( -0.000 1.607 3.245) 3.621 20.610 ( 0.000 0.890 -8.014) 8.064 23.188 ( -0.000 -29.693 14.933) 33.236 23.224 ( -0.000 -36.075 -12.371) 38.137 27.747 ( -0.000 3.205 4.234) 5.311 27.774 ( 0.000 2.579 -4.288) 5.004 37.152 ( -0.000 -0.283 1.543) 1.569 37.698 ( -0.000 21.305 9.921) 23.502 38.007 ( 0.000 20.101 -2.552) 20.262 38.504 ( 0.000 38.018 -8.939) 39.055 ======================= Grid point 1105 (230/231) ======================= q-point: ( 0.46 0.46 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.459 ( -0.000 0.000 49.765) 49.765 5.459 ( -0.000 0.000 49.765) 49.765 6.275 ( 0.000 -0.000 -47.220) 47.220 6.275 ( 0.000 -0.000 -47.220) 47.220 8.870 ( -0.000 0.000 72.461) 72.461 10.020 ( 0.000 -0.000 -64.022) 64.022 11.106 ( -0.000 0.000 21.189) 21.189 11.106 ( -0.000 0.000 21.189) 21.189 11.447 ( 0.000 -0.000 -19.086) 19.086 11.447 ( 0.000 -0.000 -19.086) 19.086 13.329 ( -0.000 0.000 1.734) 1.734 13.378 ( 0.000 -0.000 -4.403) 4.403 13.828 ( -0.000 0.000 10.429) 10.429 13.828 ( -0.000 0.000 10.429) 10.429 13.983 ( 0.000 -0.000 -7.912) 7.912 13.983 ( 0.000 -0.000 -7.912) 7.912 15.189 ( -0.000 0.000 4.530) 4.530 15.277 ( 0.000 -0.000 -5.747) 5.747 20.383 ( -0.000 0.000 7.852) 7.852 20.383 ( -0.000 0.000 7.852) 7.852 20.516 ( 0.000 -0.000 -7.964) 7.964 20.516 ( 0.000 -0.000 -7.964) 7.964 23.776 ( -0.000 0.000 27.152) 27.152 24.212 ( 0.000 -0.000 -24.649) 24.649 27.663 ( -0.000 0.000 5.493) 5.493 27.755 ( 0.000 -0.000 -5.440) 5.440 37.351 ( -0.000 0.000 1.502) 1.502 37.351 ( -0.000 0.000 1.502) 1.502 37.377 ( 0.000 0.000 -1.507) 1.507 37.377 ( 0.000 -0.000 -1.507) 1.507 ======================= Grid point 1106 (231/231) ======================= q-point: ( 0.54 0.46 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.545 ( -1.442 -0.833 46.399) 46.429 5.895 ( 5.875 3.392 -45.400) 45.904 6.242 ( 26.022 15.024 48.554) 57.100 6.488 ( 26.101 15.070 -47.221) 56.019 9.375 ( 10.443 6.029 66.023) 67.115 9.703 ( 3.899 2.251 -63.375) 63.534 10.921 ( -18.606 -10.742 14.359) 25.841 11.081 ( -10.735 -6.198 -15.339) 19.721 11.327 ( -0.571 -0.330 17.598) 17.610 11.495 ( 4.947 2.856 -16.577) 17.533 13.081 ( -16.025 -9.252 5.484) 19.299 13.223 ( -6.566 -3.791 -6.502) 9.988 13.644 ( -9.552 -5.515 9.885) 14.811 14.065 ( 14.332 8.275 -12.889) 20.976 14.149 ( 7.762 4.481 -5.689) 10.616 14.386 ( 26.839 15.496 11.148) 32.936 15.140 ( -6.405 -3.698 5.206) 9.044 15.170 ( -6.255 -3.611 -5.585) 9.130 20.231 ( -12.500 -7.217 6.428) 15.800 20.378 ( -3.181 -1.837 -6.519) 7.482 20.464 ( -4.898 -2.828 -7.177) 9.138 20.519 ( 3.095 1.787 7.607) 8.405 23.708 ( -18.243 -10.533 22.658) 30.938 23.833 ( -19.603 -11.318 -21.402) 31.151 27.705 ( 1.186 0.685 5.279) 5.454 27.734 ( 0.894 0.516 -5.266) 5.366 37.210 ( -4.377 -2.527 -1.351) 5.232 37.383 ( 10.442 6.029 -3.400) 12.528 37.629 ( 13.999 8.083 2.232) 16.318 37.784 ( 25.536 14.743 1.577) 29.529 =================== 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 3/65910 10.0 3115.884 3115.884 22314.211 0.000 -0.000 0.000 3/65910 20.0 9737.387 9737.387 12648.846 0.000 -0.000 0.000 3/65910 30.0 8022.827 8022.827 7735.891 0.000 -0.000 0.000 3/65910 40.0 5153.436 5153.436 4877.194 0.000 -0.000 0.000 3/65910 50.0 2884.773 2884.773 2691.913 0.000 -0.000 0.000 3/65910 60.0 1596.551 1596.551 1465.734 0.000 -0.000 0.000 3/65910 70.0 949.398 949.398 862.564 0.000 -0.000 0.000 3/65910 80.0 617.642 617.642 558.053 0.000 -0.000 0.000 3/65910 90.0 434.886 434.886 391.994 0.000 -0.000 0.000 3/65910 100.0 325.920 325.920 293.634 0.000 -0.000 0.000 3/65910 110.0 256.158 256.158 230.907 0.000 -0.000 0.000 3/65910 120.0 208.754 208.754 188.359 0.000 -0.000 0.000 3/65910 130.0 174.941 174.941 158.018 0.000 -0.000 0.000 3/65910 140.0 149.860 149.860 135.497 0.000 -0.000 0.000 3/65910 150.0 130.654 130.654 118.231 0.000 -0.000 0.000 3/65910 160.0 115.557 115.557 104.640 0.000 -0.000 0.000 3/65910 170.0 103.430 103.430 93.708 0.000 -0.000 0.000 3/65910 180.0 93.507 93.507 84.752 0.000 -0.000 0.000 3/65910 190.0 85.262 85.262 77.300 0.000 -0.000 0.000 3/65910 200.0 78.316 78.316 71.017 0.000 -0.000 0.000 3/65910 210.0 72.396 72.396 65.657 0.000 -0.000 0.000 3/65910 220.0 67.297 67.297 61.037 0.000 -0.000 0.000 3/65910 230.0 62.865 62.865 57.019 0.000 -0.000 0.000 3/65910 240.0 58.981 58.981 53.496 0.000 -0.000 0.000 3/65910 250.0 55.552 55.552 50.385 0.000 -0.000 0.000 3/65910 260.0 52.504 52.504 47.619 0.000 -0.000 0.000 3/65910 270.0 49.779 49.779 45.145 0.000 -0.000 0.000 3/65910 280.0 47.328 47.328 42.920 0.000 -0.000 0.000 3/65910 290.0 45.113 45.113 40.909 0.000 -0.000 0.000 3/65910 300.0 43.102 43.102 39.083 0.000 -0.000 0.000 3/65910 310.0 41.269 41.269 37.418 0.000 -0.000 0.000 3/65910 320.0 39.590 39.590 35.895 0.000 -0.000 0.000 3/65910 330.0 38.048 38.048 34.495 0.000 -0.000 0.000 3/65910 340.0 36.626 36.626 33.205 0.000 -0.000 0.000 3/65910 350.0 35.312 35.312 32.012 0.000 -0.000 0.000 3/65910 360.0 34.092 34.092 30.906 0.000 -0.000 0.000 3/65910 370.0 32.958 32.958 29.878 0.000 -0.000 0.000 3/65910 380.0 31.901 31.901 28.919 0.000 -0.000 0.000 3/65910 390.0 30.912 30.912 28.023 0.000 -0.000 0.000 3/65910 400.0 29.986 29.986 27.184 0.000 -0.000 0.000 3/65910 410.0 29.117 29.117 26.397 0.000 -0.000 0.000 3/65910 420.0 28.299 28.299 25.657 0.000 -0.000 0.000 3/65910 430.0 27.529 27.529 24.959 0.000 -0.000 0.000 3/65910 440.0 26.801 26.801 24.301 0.000 -0.000 0.000 3/65910 450.0 26.113 26.113 23.678 0.000 -0.000 0.000 3/65910 460.0 25.462 25.462 23.089 0.000 -0.000 0.000 3/65910 470.0 24.844 24.844 22.530 0.000 -0.000 0.000 3/65910 480.0 24.256 24.256 21.999 0.000 -0.000 0.000 3/65910 490.0 23.698 23.698 21.494 0.000 -0.000 0.000 3/65910 500.0 23.166 23.166 21.014 0.000 -0.000 0.000 3/65910 510.0 22.658 22.658 20.555 0.000 -0.000 0.000 3/65910 520.0 22.174 22.174 20.118 0.000 -0.000 0.000 3/65910 530.0 21.711 21.711 19.699 0.000 -0.000 0.000 3/65910 540.0 21.268 21.268 19.299 0.000 -0.000 0.000 3/65910 550.0 20.844 20.844 18.916 0.000 -0.000 0.000 3/65910 560.0 20.437 20.437 18.549 0.000 -0.000 0.000 3/65910 570.0 20.046 20.046 18.196 0.000 -0.000 0.000 3/65910 580.0 19.671 19.671 17.857 0.000 -0.000 0.000 3/65910 590.0 19.311 19.311 17.532 0.000 -0.000 0.000 3/65910 600.0 18.964 18.964 17.219 0.000 -0.000 0.000 3/65910 610.0 18.630 18.630 16.917 0.000 -0.000 0.000 3/65910 620.0 18.308 18.308 16.627 0.000 -0.000 0.000 3/65910 630.0 17.998 17.998 16.347 0.000 -0.000 0.000 3/65910 640.0 17.698 17.698 16.076 0.000 -0.000 0.000 3/65910 650.0 17.409 17.409 15.815 0.000 -0.000 0.000 3/65910 660.0 17.129 17.129 15.563 0.000 -0.000 0.000 3/65910 670.0 16.859 16.859 15.319 0.000 -0.000 0.000 3/65910 680.0 16.598 16.598 15.083 0.000 -0.000 0.000 3/65910 690.0 16.345 16.345 14.855 0.000 -0.000 0.000 3/65910 700.0 16.100 16.100 14.633 0.000 -0.000 0.000 3/65910 710.0 15.862 15.862 14.419 0.000 -0.000 0.000 3/65910 720.0 15.632 15.632 14.211 0.000 -0.000 0.000 3/65910 730.0 15.408 15.408 14.009 0.000 -0.000 0.000 3/65910 740.0 15.191 15.191 13.813 0.000 -0.000 0.000 3/65910 750.0 14.981 14.981 13.623 0.000 -0.000 0.000 3/65910 760.0 14.776 14.776 13.438 0.000 -0.000 0.000 3/65910 770.0 14.577 14.577 13.259 0.000 -0.000 0.000 3/65910 780.0 14.384 14.384 13.084 0.000 -0.000 0.000 3/65910 790.0 14.196 14.196 12.914 0.000 -0.000 0.000 3/65910 800.0 14.013 14.013 12.749 0.000 -0.000 0.000 3/65910 810.0 13.835 13.835 12.588 0.000 -0.000 0.000 3/65910 820.0 13.661 13.661 12.431 0.000 -0.000 0.000 3/65910 830.0 13.492 13.492 12.278 0.000 -0.000 0.000 3/65910 840.0 13.327 13.327 12.129 0.000 -0.000 0.000 3/65910 850.0 13.167 13.167 11.984 0.000 -0.000 0.000 3/65910 860.0 13.010 13.010 11.842 0.000 -0.000 0.000 3/65910 870.0 12.857 12.857 11.704 0.000 -0.000 0.000 3/65910 880.0 12.708 12.708 11.569 0.000 -0.000 0.000 3/65910 890.0 12.562 12.562 11.437 0.000 -0.000 0.000 3/65910 900.0 12.420 12.420 11.308 0.000 -0.000 0.000 3/65910 910.0 12.281 12.281 11.183 0.000 -0.000 0.000 3/65910 920.0 12.145 12.145 11.060 0.000 -0.000 0.000 3/65910 930.0 12.012 12.012 10.940 0.000 -0.000 0.000 3/65910 940.0 11.883 11.883 10.822 0.000 -0.000 0.000 3/65910 950.0 11.756 11.756 10.707 0.000 -0.000 0.000 3/65910 960.0 11.632 11.632 10.595 0.000 -0.000 0.000 3/65910 970.0 11.510 11.510 10.485 0.000 -0.000 0.000 3/65910 980.0 11.391 11.391 10.377 0.000 -0.000 0.000 3/65910 990.0 11.275 11.275 10.272 0.000 -0.000 0.000 3/65910 1000.0 11.161 11.161 10.169 0.000 -0.000 0.000 3/65910 Thermal conductivity related properties were written into "kappa-m131313.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:43:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|