----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:44:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 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 2.337859864990721 1.349764022380012 4.944402339999995 b -2.337859864990716 1.349764022380012 4.944402339999995 c 0.000000000000003 -2.699528044760029 4.944402339999995 Atomic positions (fractional): *1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 2 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 *3 N 0.75000000000000 0.75000000000000 0.75000000000000 14.007 4 N 0.25000000000000 0.25000000000000 0.25000000000000 14.007 *5 O 0.75000000000000 0.01940730323410 0.48059269676590 15.999 6 O 0.01940730323410 0.48059269676590 0.75000000000000 15.999 7 O 0.48059269676590 0.75000000000000 0.01940730323410 15.999 8 O 0.25000000000000 0.98059269676590 0.51940730323410 15.999 9 O 0.98059269676590 0.51940730323410 0.25000000000000 15.999 10 O 0.51940730323410 0.25000000000000 0.98059269676590 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.675719729981437 0.000000000000000 0.000000000000000 b -2.337859864990719 4.049292067140041 0.000000000000000 c 0.000000000000000 0.000000000000000 14.833207020000000 Atomic positions (fractional): *1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 1 2 Li 0.66666666666667 0.33333333333333 0.83333333333333 6.941 > 2 3 Li 0.66666666666667 0.33333333333333 0.33333333333333 6.941 > 1 4 Li 0.33333333333333 0.66666666666667 0.16666666666667 6.941 > 2 5 Li 0.33333333333333 0.66666666666667 0.66666666666667 6.941 > 1 6 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 2 *7 N 0.00000000000000 0.00000000000000 0.75000000000000 14.007 > 3 8 N 0.33333333333333 0.66666666666667 0.91666666666667 14.007 > 4 9 N 0.66666666666667 0.33333333333333 0.08333333333333 14.007 > 3 10 N 0.00000000000000 0.00000000000000 0.25000000000000 14.007 > 4 11 N 0.33333333333333 0.66666666666667 0.41666666666667 14.007 > 3 12 N 0.66666666666667 0.33333333333333 0.58333333333333 14.007 > 4 *13 O 0.00000000000000 0.26940730323410 0.75000000000000 15.999 > 5 14 O 0.26940730323410 0.00000000000000 0.75000000000000 15.999 > 6 15 O 0.73059269676590 0.73059269676590 0.75000000000000 15.999 > 7 16 O 0.33333333333333 0.39725936343257 0.91666666666667 15.999 > 8 17 O 0.06392603009923 0.66666666666667 0.91666666666667 15.999 > 9 18 O 0.60274063656743 0.93607396990077 0.91666666666667 15.999 > 10 19 O 0.66666666666667 0.60274063656743 0.08333333333333 15.999 > 5 20 O 0.93607396990077 0.33333333333333 0.08333333333333 15.999 > 6 21 O 0.39725936343257 0.06392603009923 0.08333333333333 15.999 > 7 22 O 0.00000000000000 0.73059269676590 0.25000000000000 15.999 > 8 23 O 0.73059269676590 0.00000000000000 0.25000000000000 15.999 > 9 24 O 0.26940730323410 0.26940730323410 0.25000000000000 15.999 > 10 25 O 0.33333333333333 0.93607396990077 0.41666666666667 15.999 > 5 26 O 0.60274063656743 0.66666666666667 0.41666666666667 15.999 > 6 27 O 0.06392603009923 0.39725936343257 0.41666666666667 15.999 > 7 28 O 0.66666666666667 0.06392603009923 0.58333333333333 15.999 > 8 29 O 0.39725936343257 0.33333333333333 0.58333333333333 15.999 > 9 30 O 0.93607396990077 0.60274063656743 0.58333333333333 15.999 > 10 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.351439459962874 0.000000000000000 0.000000000000000 b -4.675719729981438 8.098584134280083 0.000000000000000 c 0.000000000000000 0.000000000000000 14.833207020000000 Atomic positions (fractional): *1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 1 2 Li 0.50000000000000 0.00000000000000 0.00000000000000 6.941 > 1 3 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 > 1 4 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 > 1 5 Li 0.33333333333333 0.16666666666667 0.83333333333333 6.941 > 2 6 Li 0.83333333333333 0.16666666666667 0.83333333333333 6.941 > 2 7 Li 0.33333333333333 0.66666666666667 0.83333333333333 6.941 > 2 8 Li 0.83333333333333 0.66666666666667 0.83333333333333 6.941 > 2 9 Li 0.33333333333333 0.16666666666667 0.33333333333333 6.941 > 1 10 Li 0.83333333333333 0.16666666666667 0.33333333333333 6.941 > 1 11 Li 0.33333333333333 0.66666666666667 0.33333333333333 6.941 > 1 12 Li 0.83333333333333 0.66666666666667 0.33333333333333 6.941 > 1 13 Li 0.16666666666667 0.33333333333333 0.16666666666667 6.941 > 2 14 Li 0.66666666666667 0.33333333333333 0.16666666666667 6.941 > 2 15 Li 0.16666666666667 0.83333333333333 0.16666666666667 6.941 > 2 16 Li 0.66666666666667 0.83333333333333 0.16666666666667 6.941 > 2 17 Li 0.16666666666667 0.33333333333333 0.66666666666667 6.941 > 1 18 Li 0.66666666666667 0.33333333333333 0.66666666666667 6.941 > 1 19 Li 0.16666666666667 0.83333333333333 0.66666666666667 6.941 > 1 20 Li 0.66666666666667 0.83333333333333 0.66666666666667 6.941 > 1 21 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 2 22 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 > 2 23 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 > 2 24 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 2 *25 N 0.00000000000000 0.00000000000000 0.75000000000000 14.007 > 3 26 N 0.50000000000000 0.00000000000000 0.75000000000000 14.007 > 3 27 N 0.00000000000000 0.50000000000000 0.75000000000000 14.007 > 3 28 N 0.50000000000000 0.50000000000000 0.75000000000000 14.007 > 3 29 N 0.16666666666667 0.33333333333333 0.91666666666667 14.007 > 4 30 N 0.66666666666667 0.33333333333333 0.91666666666667 14.007 > 4 31 N 0.16666666666667 0.83333333333333 0.91666666666667 14.007 > 4 32 N 0.66666666666667 0.83333333333333 0.91666666666667 14.007 > 4 33 N 0.33333333333333 0.16666666666667 0.08333333333333 14.007 > 3 34 N 0.83333333333333 0.16666666666667 0.08333333333333 14.007 > 3 35 N 0.33333333333333 0.66666666666667 0.08333333333333 14.007 > 3 36 N 0.83333333333333 0.66666666666667 0.08333333333333 14.007 > 3 37 N 0.00000000000000 0.00000000000000 0.25000000000000 14.007 > 4 38 N 0.50000000000000 0.00000000000000 0.25000000000000 14.007 > 4 39 N 0.00000000000000 0.50000000000000 0.25000000000000 14.007 > 4 40 N 0.50000000000000 0.50000000000000 0.25000000000000 14.007 > 4 41 N 0.16666666666667 0.33333333333333 0.41666666666667 14.007 > 3 42 N 0.66666666666667 0.33333333333333 0.41666666666667 14.007 > 3 43 N 0.16666666666667 0.83333333333333 0.41666666666667 14.007 > 3 44 N 0.66666666666667 0.83333333333333 0.41666666666667 14.007 > 3 45 N 0.33333333333333 0.16666666666667 0.58333333333333 14.007 > 4 46 N 0.83333333333333 0.16666666666667 0.58333333333333 14.007 > 4 47 N 0.33333333333333 0.66666666666667 0.58333333333333 14.007 > 4 48 N 0.83333333333333 0.66666666666667 0.58333333333333 14.007 > 4 *49 O 0.00000000000000 0.13470365161705 0.75000000000000 15.999 > 5 50 O 0.50000000000000 0.13470365161705 0.75000000000000 15.999 > 5 51 O 0.00000000000000 0.63470365161705 0.75000000000000 15.999 > 5 52 O 0.50000000000000 0.63470365161705 0.75000000000000 15.999 > 5 53 O 0.13470365161705 0.00000000000000 0.75000000000000 15.999 > 6 54 O 0.63470365161705 0.00000000000000 0.75000000000000 15.999 > 6 55 O 0.13470365161705 0.50000000000000 0.75000000000000 15.999 > 6 56 O 0.63470365161705 0.50000000000000 0.75000000000000 15.999 > 6 57 O 0.36529634838295 0.36529634838295 0.75000000000000 15.999 > 7 58 O 0.86529634838295 0.36529634838295 0.75000000000000 15.999 > 7 59 O 0.36529634838295 0.86529634838295 0.75000000000000 15.999 > 7 60 O 0.86529634838295 0.86529634838295 0.75000000000000 15.999 > 7 61 O 0.16666666666667 0.19862968171628 0.91666666666667 15.999 > 8 62 O 0.66666666666667 0.19862968171628 0.91666666666667 15.999 > 8 63 O 0.16666666666667 0.69862968171628 0.91666666666667 15.999 > 8 64 O 0.66666666666667 0.69862968171628 0.91666666666667 15.999 > 8 65 O 0.03196301504962 0.33333333333333 0.91666666666667 15.999 > 9 66 O 0.53196301504962 0.33333333333333 0.91666666666667 15.999 > 9 67 O 0.03196301504962 0.83333333333333 0.91666666666667 15.999 > 9 68 O 0.53196301504962 0.83333333333333 0.91666666666667 15.999 > 9 69 O 0.30137031828372 0.46803698495038 0.91666666666667 15.999 > 10 70 O 0.80137031828372 0.46803698495038 0.91666666666667 15.999 > 10 71 O 0.30137031828372 0.96803698495038 0.91666666666667 15.999 > 10 72 O 0.80137031828372 0.96803698495038 0.91666666666667 15.999 > 10 73 O 0.33333333333333 0.30137031828372 0.08333333333333 15.999 > 5 74 O 0.83333333333333 0.30137031828372 0.08333333333333 15.999 > 5 75 O 0.33333333333333 0.80137031828372 0.08333333333333 15.999 > 5 76 O 0.83333333333333 0.80137031828372 0.08333333333333 15.999 > 5 77 O 0.46803698495038 0.16666666666667 0.08333333333333 15.999 > 6 78 O 0.96803698495038 0.16666666666667 0.08333333333333 15.999 > 6 79 O 0.46803698495038 0.66666666666667 0.08333333333333 15.999 > 6 80 O 0.96803698495038 0.66666666666667 0.08333333333333 15.999 > 6 81 O 0.19862968171628 0.03196301504962 0.08333333333333 15.999 > 7 82 O 0.69862968171628 0.03196301504962 0.08333333333333 15.999 > 7 83 O 0.19862968171628 0.53196301504962 0.08333333333333 15.999 > 7 84 O 0.69862968171628 0.53196301504962 0.08333333333333 15.999 > 7 85 O 0.00000000000000 0.36529634838295 0.25000000000000 15.999 > 8 86 O 0.50000000000000 0.36529634838295 0.25000000000000 15.999 > 8 87 O 0.00000000000000 0.86529634838295 0.25000000000000 15.999 > 8 88 O 0.50000000000000 0.86529634838295 0.25000000000000 15.999 > 8 89 O 0.36529634838295 0.00000000000000 0.25000000000000 15.999 > 9 90 O 0.86529634838295 0.00000000000000 0.25000000000000 15.999 > 9 91 O 0.36529634838295 0.50000000000000 0.25000000000000 15.999 > 9 92 O 0.86529634838295 0.50000000000000 0.25000000000000 15.999 > 9 93 O 0.13470365161705 0.13470365161705 0.25000000000000 15.999 > 10 94 O 0.63470365161705 0.13470365161705 0.25000000000000 15.999 > 10 95 O 0.13470365161705 0.63470365161705 0.25000000000000 15.999 > 10 96 O 0.63470365161705 0.63470365161705 0.25000000000000 15.999 > 10 97 O 0.16666666666667 0.46803698495038 0.41666666666667 15.999 > 5 98 O 0.66666666666667 0.46803698495038 0.41666666666667 15.999 > 5 99 O 0.16666666666667 0.96803698495038 0.41666666666667 15.999 > 5 100 O 0.66666666666667 0.96803698495038 0.41666666666667 15.999 > 5 101 O 0.30137031828372 0.33333333333333 0.41666666666667 15.999 > 6 102 O 0.80137031828372 0.33333333333333 0.41666666666667 15.999 > 6 103 O 0.30137031828372 0.83333333333333 0.41666666666667 15.999 > 6 104 O 0.80137031828372 0.83333333333333 0.41666666666667 15.999 > 6 105 O 0.03196301504962 0.19862968171628 0.41666666666667 15.999 > 7 106 O 0.53196301504962 0.19862968171628 0.41666666666667 15.999 > 7 107 O 0.03196301504962 0.69862968171628 0.41666666666667 15.999 > 7 108 O 0.53196301504962 0.69862968171628 0.41666666666667 15.999 > 7 109 O 0.33333333333333 0.03196301504962 0.58333333333333 15.999 > 8 110 O 0.83333333333333 0.03196301504962 0.58333333333333 15.999 > 8 111 O 0.33333333333333 0.53196301504962 0.58333333333333 15.999 > 8 112 O 0.83333333333333 0.53196301504962 0.58333333333333 15.999 > 8 113 O 0.19862968171628 0.16666666666667 0.58333333333333 15.999 > 9 114 O 0.69862968171628 0.16666666666667 0.58333333333333 15.999 > 9 115 O 0.19862968171628 0.66666666666667 0.58333333333333 15.999 > 9 116 O 0.69862968171628 0.66666666666667 0.58333333333333 15.999 > 9 117 O 0.46803698495038 0.30137031828372 0.58333333333333 15.999 > 10 118 O 0.96803698495038 0.30137031828372 0.58333333333333 15.999 > 10 119 O 0.46803698495038 0.80137031828372 0.58333333333333 15.999 > 10 120 O 0.96803698495038 0.80137031828372 0.58333333333333 15.999 > 10 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0281634 -0.0000000 0.0000000 0.0000000 3.0281634 0.0000000 0.0000000 0.0000000 2.1212781 -------------------------- Born effective charges -------------------------- 1 Li 1.2979998 -0.2552267 -0.0000000 0.2552267 1.2979998 0.0000000 0.0000000 -0.0000000 1.0777317 2 Li 1.2979998 0.2552267 -0.0000000 -0.2552267 1.2979998 0.0000000 0.0000000 -0.0000000 1.0777317 3 N 2.8566415 -0.0000000 -0.0000000 0.0000000 2.8566415 0.0000000 0.0000000 -0.0000000 0.1652243 4 N 2.8566415 -0.0000000 -0.0000000 0.0000000 2.8566415 0.0000000 0.0000000 -0.0000000 0.1652243 5 O -1.0856703 0.5182473 0.0950811 0.5182473 -1.6840907 0.0548951 0.0545389 0.0314880 -0.4143187 6 O -1.9833009 -0.0000000 -0.0000000 0.0000000 -0.7864601 -0.1097902 0.0000000 -0.0629761 -0.4143187 7 O -1.0856703 -0.5182473 -0.0950811 -0.5182473 -1.6840907 0.0548951 -0.0545389 0.0314880 -0.4143187 8 O -1.0856703 0.5182473 0.0950811 0.5182473 -1.6840907 0.0548951 0.0545389 0.0314880 -0.4143187 9 O -1.9833009 -0.0000000 -0.0000000 0.0000000 -0.7864601 -0.1097902 0.0000000 -0.0629761 -0.4143187 10 O -1.0856703 -0.5182473 -0.0950811 -0.5182473 -1.6840907 0.0548951 -0.0545389 0.0314880 -0.4143187 ---------------------------------------------------------------------------- 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: 272 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: 0.438 Solver_block: 160 / 160 - Time: 0.299 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.753 --------------------------------- 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: 272 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 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 22:44:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:44:58]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 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 2.337859864990721 1.349764022380012 4.944402339999995 b -2.337859864990716 1.349764022380012 4.944402339999995 c 0.000000000000003 -2.699528044760029 4.944402339999995 Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 2 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 3 N 0.75000000000000 0.75000000000000 0.75000000000000 14.007 4 N 0.25000000000000 0.25000000000000 0.25000000000000 14.007 5 O 0.75000000000000 0.01940730323410 0.48059269676590 15.999 6 O 0.01940730323410 0.48059269676590 0.75000000000000 15.999 7 O 0.48059269676590 0.75000000000000 0.01940730323410 15.999 8 O 0.25000000000000 0.98059269676590 0.51940730323410 15.999 9 O 0.98059269676590 0.51940730323410 0.25000000000000 15.999 10 O 0.51940730323410 0.25000000000000 0.98059269676590 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.351439459962874 0.000000000000000 0.000000000000000 b -4.675719729981438 8.098584134280083 0.000000000000000 c 0.000000000000000 0.000000000000000 14.833207020000000 Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 1 2 Li 0.50000000000000 0.00000000000000 0.00000000000000 6.941 > 1 3 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 > 1 4 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 > 1 5 Li 0.33333333333333 0.16666666666667 0.83333333333333 6.941 > 5 6 Li 0.83333333333333 0.16666666666667 0.83333333333333 6.941 > 5 7 Li 0.33333333333333 0.66666666666667 0.83333333333333 6.941 > 5 8 Li 0.83333333333333 0.66666666666667 0.83333333333333 6.941 > 5 9 Li 0.33333333333333 0.16666666666667 0.33333333333333 6.941 > 1 10 Li 0.83333333333333 0.16666666666667 0.33333333333333 6.941 > 1 11 Li 0.33333333333333 0.66666666666667 0.33333333333333 6.941 > 1 12 Li 0.83333333333333 0.66666666666667 0.33333333333333 6.941 > 1 13 Li 0.16666666666667 0.33333333333333 0.16666666666667 6.941 > 5 14 Li 0.66666666666667 0.33333333333333 0.16666666666667 6.941 > 5 15 Li 0.16666666666667 0.83333333333333 0.16666666666667 6.941 > 5 16 Li 0.66666666666667 0.83333333333333 0.16666666666667 6.941 > 5 17 Li 0.16666666666667 0.33333333333333 0.66666666666667 6.941 > 1 18 Li 0.66666666666667 0.33333333333333 0.66666666666667 6.941 > 1 19 Li 0.16666666666667 0.83333333333333 0.66666666666667 6.941 > 1 20 Li 0.66666666666667 0.83333333333333 0.66666666666667 6.941 > 1 21 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 5 22 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 > 5 23 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 > 5 24 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 5 25 N 0.00000000000000 0.00000000000000 0.75000000000000 14.007 > 25 26 N 0.50000000000000 0.00000000000000 0.75000000000000 14.007 > 25 27 N 0.00000000000000 0.50000000000000 0.75000000000000 14.007 > 25 28 N 0.50000000000000 0.50000000000000 0.75000000000000 14.007 > 25 29 N 0.16666666666667 0.33333333333333 0.91666666666667 14.007 > 29 30 N 0.66666666666667 0.33333333333333 0.91666666666667 14.007 > 29 31 N 0.16666666666667 0.83333333333333 0.91666666666667 14.007 > 29 32 N 0.66666666666667 0.83333333333333 0.91666666666667 14.007 > 29 33 N 0.33333333333333 0.16666666666667 0.08333333333333 14.007 > 25 34 N 0.83333333333333 0.16666666666667 0.08333333333333 14.007 > 25 35 N 0.33333333333333 0.66666666666667 0.08333333333333 14.007 > 25 36 N 0.83333333333333 0.66666666666667 0.08333333333333 14.007 > 25 37 N 0.00000000000000 0.00000000000000 0.25000000000000 14.007 > 29 38 N 0.50000000000000 0.00000000000000 0.25000000000000 14.007 > 29 39 N 0.00000000000000 0.50000000000000 0.25000000000000 14.007 > 29 40 N 0.50000000000000 0.50000000000000 0.25000000000000 14.007 > 29 41 N 0.16666666666667 0.33333333333333 0.41666666666667 14.007 > 25 42 N 0.66666666666667 0.33333333333333 0.41666666666667 14.007 > 25 43 N 0.16666666666667 0.83333333333333 0.41666666666667 14.007 > 25 44 N 0.66666666666667 0.83333333333333 0.41666666666667 14.007 > 25 45 N 0.33333333333333 0.16666666666667 0.58333333333333 14.007 > 29 46 N 0.83333333333333 0.16666666666667 0.58333333333333 14.007 > 29 47 N 0.33333333333333 0.66666666666667 0.58333333333333 14.007 > 29 48 N 0.83333333333333 0.66666666666667 0.58333333333333 14.007 > 29 49 O 0.00000000000000 0.13470365161705 0.75000000000000 15.999 > 49 50 O 0.50000000000000 0.13470365161705 0.75000000000000 15.999 > 49 51 O 0.00000000000000 0.63470365161705 0.75000000000000 15.999 > 49 52 O 0.50000000000000 0.63470365161705 0.75000000000000 15.999 > 49 53 O 0.13470365161705 0.00000000000000 0.75000000000000 15.999 > 53 54 O 0.63470365161705 0.00000000000000 0.75000000000000 15.999 > 53 55 O 0.13470365161705 0.50000000000000 0.75000000000000 15.999 > 53 56 O 0.63470365161705 0.50000000000000 0.75000000000000 15.999 > 53 57 O 0.36529634838295 0.36529634838295 0.75000000000000 15.999 > 57 58 O 0.86529634838295 0.36529634838295 0.75000000000000 15.999 > 57 59 O 0.36529634838295 0.86529634838295 0.75000000000000 15.999 > 57 60 O 0.86529634838295 0.86529634838295 0.75000000000000 15.999 > 57 61 O 0.16666666666667 0.19862968171628 0.91666666666667 15.999 > 61 62 O 0.66666666666667 0.19862968171628 0.91666666666667 15.999 > 61 63 O 0.16666666666667 0.69862968171628 0.91666666666667 15.999 > 61 64 O 0.66666666666667 0.69862968171628 0.91666666666667 15.999 > 61 65 O 0.03196301504962 0.33333333333333 0.91666666666667 15.999 > 65 66 O 0.53196301504962 0.33333333333333 0.91666666666667 15.999 > 65 67 O 0.03196301504962 0.83333333333333 0.91666666666667 15.999 > 65 68 O 0.53196301504962 0.83333333333333 0.91666666666667 15.999 > 65 69 O 0.30137031828372 0.46803698495038 0.91666666666667 15.999 > 69 70 O 0.80137031828372 0.46803698495038 0.91666666666667 15.999 > 69 71 O 0.30137031828372 0.96803698495038 0.91666666666667 15.999 > 69 72 O 0.80137031828372 0.96803698495038 0.91666666666667 15.999 > 69 73 O 0.33333333333333 0.30137031828372 0.08333333333333 15.999 > 49 74 O 0.83333333333333 0.30137031828372 0.08333333333333 15.999 > 49 75 O 0.33333333333333 0.80137031828372 0.08333333333333 15.999 > 49 76 O 0.83333333333333 0.80137031828372 0.08333333333333 15.999 > 49 77 O 0.46803698495038 0.16666666666667 0.08333333333333 15.999 > 53 78 O 0.96803698495038 0.16666666666667 0.08333333333333 15.999 > 53 79 O 0.46803698495038 0.66666666666667 0.08333333333333 15.999 > 53 80 O 0.96803698495038 0.66666666666667 0.08333333333333 15.999 > 53 81 O 0.19862968171628 0.03196301504962 0.08333333333333 15.999 > 57 82 O 0.69862968171628 0.03196301504962 0.08333333333333 15.999 > 57 83 O 0.19862968171628 0.53196301504962 0.08333333333333 15.999 > 57 84 O 0.69862968171628 0.53196301504962 0.08333333333333 15.999 > 57 85 O 0.00000000000000 0.36529634838295 0.25000000000000 15.999 > 61 86 O 0.50000000000000 0.36529634838295 0.25000000000000 15.999 > 61 87 O 0.00000000000000 0.86529634838295 0.25000000000000 15.999 > 61 88 O 0.50000000000000 0.86529634838295 0.25000000000000 15.999 > 61 89 O 0.36529634838295 0.00000000000000 0.25000000000000 15.999 > 65 90 O 0.86529634838295 0.00000000000000 0.25000000000000 15.999 > 65 91 O 0.36529634838295 0.50000000000000 0.25000000000000 15.999 > 65 92 O 0.86529634838295 0.50000000000000 0.25000000000000 15.999 > 65 93 O 0.13470365161705 0.13470365161705 0.25000000000000 15.999 > 69 94 O 0.63470365161705 0.13470365161705 0.25000000000000 15.999 > 69 95 O 0.13470365161705 0.63470365161705 0.25000000000000 15.999 > 69 96 O 0.63470365161705 0.63470365161705 0.25000000000000 15.999 > 69 97 O 0.16666666666667 0.46803698495038 0.41666666666667 15.999 > 49 98 O 0.66666666666667 0.46803698495038 0.41666666666667 15.999 > 49 99 O 0.16666666666667 0.96803698495038 0.41666666666667 15.999 > 49 100 O 0.66666666666667 0.96803698495038 0.41666666666667 15.999 > 49 101 O 0.30137031828372 0.33333333333333 0.41666666666667 15.999 > 53 102 O 0.80137031828372 0.33333333333333 0.41666666666667 15.999 > 53 103 O 0.30137031828372 0.83333333333333 0.41666666666667 15.999 > 53 104 O 0.80137031828372 0.83333333333333 0.41666666666667 15.999 > 53 105 O 0.03196301504962 0.19862968171628 0.41666666666667 15.999 > 57 106 O 0.53196301504962 0.19862968171628 0.41666666666667 15.999 > 57 107 O 0.03196301504962 0.69862968171628 0.41666666666667 15.999 > 57 108 O 0.53196301504962 0.69862968171628 0.41666666666667 15.999 > 57 109 O 0.33333333333333 0.03196301504962 0.58333333333333 15.999 > 61 110 O 0.83333333333333 0.03196301504962 0.58333333333333 15.999 > 61 111 O 0.33333333333333 0.53196301504962 0.58333333333333 15.999 > 61 112 O 0.83333333333333 0.53196301504962 0.58333333333333 15.999 > 61 113 O 0.19862968171628 0.16666666666667 0.58333333333333 15.999 > 65 114 O 0.69862968171628 0.16666666666667 0.58333333333333 15.999 > 65 115 O 0.19862968171628 0.66666666666667 0.58333333333333 15.999 > 65 116 O 0.69862968171628 0.66666666666667 0.58333333333333 15.999 > 65 117 O 0.46803698495038 0.30137031828372 0.58333333333333 15.999 > 69 118 O 0.96803698495038 0.30137031828372 0.58333333333333 15.999 > 69 119 O 0.46803698495038 0.80137031828372 0.58333333333333 15.999 > 69 120 O 0.96803698495038 0.80137031828372 0.58333333333333 15.999 > 69 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0281634 -0.0000000 0.0000000 0.0000000 3.0281634 0.0000000 0.0000000 0.0000000 2.1212781 -------------------------- Born effective charges -------------------------- 1 Li 1.2979998 -0.2552267 -0.0000000 0.2552267 1.2979998 0.0000000 0.0000000 -0.0000000 1.0777317 2 Li 1.2979998 0.2552267 -0.0000000 -0.2552267 1.2979998 0.0000000 0.0000000 -0.0000000 1.0777317 3 N 2.8566415 -0.0000000 -0.0000000 0.0000000 2.8566415 0.0000000 0.0000000 -0.0000000 0.1652243 4 N 2.8566415 -0.0000000 -0.0000000 0.0000000 2.8566415 0.0000000 0.0000000 -0.0000000 0.1652243 5 O -1.0856703 0.5182473 0.0950811 0.5182473 -1.6840907 0.0548951 0.0545389 0.0314880 -0.4143187 6 O -1.9833009 -0.0000000 -0.0000000 0.0000000 -0.7864601 -0.1097902 0.0000000 -0.0629761 -0.4143187 7 O -1.0856703 -0.5182473 -0.0950811 -0.5182473 -1.6840907 0.0548951 -0.0545389 0.0314880 -0.4143187 8 O -1.0856703 0.5182473 0.0950811 0.5182473 -1.6840907 0.0548951 0.0545389 0.0314880 -0.4143187 9 O -1.9833009 -0.0000000 -0.0000000 0.0000000 -0.7864601 -0.1097902 0.0000000 -0.0629761 -0.4143187 10 O -1.0856703 -0.5182473 -0.0950811 -0.5182473 -1.6840907 0.0548951 -0.0545389 0.0314880 -0.4143187 ---------------------------------------------------------------------------- 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[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000008 (yxy) -0.00000008 (yxy) -0.00000008 (yyx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (yx) 0.00000001 (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 22:45:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:45:06]------------------------- 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 2.337859864990721 1.349764022380012 4.944402339999995 b -2.337859864990716 1.349764022380012 4.944402339999995 c 0.000000000000003 -2.699528044760029 4.944402339999995 Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 2 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 3 N 0.75000000000000 0.75000000000000 0.75000000000000 14.007 4 N 0.25000000000000 0.25000000000000 0.25000000000000 14.007 5 O 0.75000000000000 0.01940730323410 0.48059269676590 15.999 6 O 0.01940730323410 0.48059269676590 0.75000000000000 15.999 7 O 0.48059269676590 0.75000000000000 0.01940730323410 15.999 8 O 0.25000000000000 0.98059269676590 0.51940730323410 15.999 9 O 0.98059269676590 0.51940730323410 0.25000000000000 15.999 10 O 0.51940730323410 0.25000000000000 0.98059269676590 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.351439459962874 0.000000000000000 0.000000000000000 b -4.675719729981438 8.098584134280083 0.000000000000000 c 0.000000000000000 0.000000000000000 14.833207020000000 Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 1 2 Li 0.50000000000000 0.00000000000000 0.00000000000000 6.941 > 1 3 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 > 1 4 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 > 1 5 Li 0.33333333333333 0.16666666666667 0.83333333333333 6.941 > 5 6 Li 0.83333333333333 0.16666666666667 0.83333333333333 6.941 > 5 7 Li 0.33333333333333 0.66666666666667 0.83333333333333 6.941 > 5 8 Li 0.83333333333333 0.66666666666667 0.83333333333333 6.941 > 5 9 Li 0.33333333333333 0.16666666666667 0.33333333333333 6.941 > 1 10 Li 0.83333333333333 0.16666666666667 0.33333333333333 6.941 > 1 11 Li 0.33333333333333 0.66666666666667 0.33333333333333 6.941 > 1 12 Li 0.83333333333333 0.66666666666667 0.33333333333333 6.941 > 1 13 Li 0.16666666666667 0.33333333333333 0.16666666666667 6.941 > 5 14 Li 0.66666666666667 0.33333333333333 0.16666666666667 6.941 > 5 15 Li 0.16666666666667 0.83333333333333 0.16666666666667 6.941 > 5 16 Li 0.66666666666667 0.83333333333333 0.16666666666667 6.941 > 5 17 Li 0.16666666666667 0.33333333333333 0.66666666666667 6.941 > 1 18 Li 0.66666666666667 0.33333333333333 0.66666666666667 6.941 > 1 19 Li 0.16666666666667 0.83333333333333 0.66666666666667 6.941 > 1 20 Li 0.66666666666667 0.83333333333333 0.66666666666667 6.941 > 1 21 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 5 22 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 > 5 23 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 > 5 24 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 5 25 N 0.00000000000000 0.00000000000000 0.75000000000000 14.007 > 25 26 N 0.50000000000000 0.00000000000000 0.75000000000000 14.007 > 25 27 N 0.00000000000000 0.50000000000000 0.75000000000000 14.007 > 25 28 N 0.50000000000000 0.50000000000000 0.75000000000000 14.007 > 25 29 N 0.16666666666667 0.33333333333333 0.91666666666667 14.007 > 29 30 N 0.66666666666667 0.33333333333333 0.91666666666667 14.007 > 29 31 N 0.16666666666667 0.83333333333333 0.91666666666667 14.007 > 29 32 N 0.66666666666667 0.83333333333333 0.91666666666667 14.007 > 29 33 N 0.33333333333333 0.16666666666667 0.08333333333333 14.007 > 25 34 N 0.83333333333333 0.16666666666667 0.08333333333333 14.007 > 25 35 N 0.33333333333333 0.66666666666667 0.08333333333333 14.007 > 25 36 N 0.83333333333333 0.66666666666667 0.08333333333333 14.007 > 25 37 N 0.00000000000000 0.00000000000000 0.25000000000000 14.007 > 29 38 N 0.50000000000000 0.00000000000000 0.25000000000000 14.007 > 29 39 N 0.00000000000000 0.50000000000000 0.25000000000000 14.007 > 29 40 N 0.50000000000000 0.50000000000000 0.25000000000000 14.007 > 29 41 N 0.16666666666667 0.33333333333333 0.41666666666667 14.007 > 25 42 N 0.66666666666667 0.33333333333333 0.41666666666667 14.007 > 25 43 N 0.16666666666667 0.83333333333333 0.41666666666667 14.007 > 25 44 N 0.66666666666667 0.83333333333333 0.41666666666667 14.007 > 25 45 N 0.33333333333333 0.16666666666667 0.58333333333333 14.007 > 29 46 N 0.83333333333333 0.16666666666667 0.58333333333333 14.007 > 29 47 N 0.33333333333333 0.66666666666667 0.58333333333333 14.007 > 29 48 N 0.83333333333333 0.66666666666667 0.58333333333333 14.007 > 29 49 O 0.00000000000000 0.13470365161705 0.75000000000000 15.999 > 49 50 O 0.50000000000000 0.13470365161705 0.75000000000000 15.999 > 49 51 O 0.00000000000000 0.63470365161705 0.75000000000000 15.999 > 49 52 O 0.50000000000000 0.63470365161705 0.75000000000000 15.999 > 49 53 O 0.13470365161705 0.00000000000000 0.75000000000000 15.999 > 53 54 O 0.63470365161705 0.00000000000000 0.75000000000000 15.999 > 53 55 O 0.13470365161705 0.50000000000000 0.75000000000000 15.999 > 53 56 O 0.63470365161705 0.50000000000000 0.75000000000000 15.999 > 53 57 O 0.36529634838295 0.36529634838295 0.75000000000000 15.999 > 57 58 O 0.86529634838295 0.36529634838295 0.75000000000000 15.999 > 57 59 O 0.36529634838295 0.86529634838295 0.75000000000000 15.999 > 57 60 O 0.86529634838295 0.86529634838295 0.75000000000000 15.999 > 57 61 O 0.16666666666667 0.19862968171628 0.91666666666667 15.999 > 61 62 O 0.66666666666667 0.19862968171628 0.91666666666667 15.999 > 61 63 O 0.16666666666667 0.69862968171628 0.91666666666667 15.999 > 61 64 O 0.66666666666667 0.69862968171628 0.91666666666667 15.999 > 61 65 O 0.03196301504962 0.33333333333333 0.91666666666667 15.999 > 65 66 O 0.53196301504962 0.33333333333333 0.91666666666667 15.999 > 65 67 O 0.03196301504962 0.83333333333333 0.91666666666667 15.999 > 65 68 O 0.53196301504962 0.83333333333333 0.91666666666667 15.999 > 65 69 O 0.30137031828372 0.46803698495038 0.91666666666667 15.999 > 69 70 O 0.80137031828372 0.46803698495038 0.91666666666667 15.999 > 69 71 O 0.30137031828372 0.96803698495038 0.91666666666667 15.999 > 69 72 O 0.80137031828372 0.96803698495038 0.91666666666667 15.999 > 69 73 O 0.33333333333333 0.30137031828372 0.08333333333333 15.999 > 49 74 O 0.83333333333333 0.30137031828372 0.08333333333333 15.999 > 49 75 O 0.33333333333333 0.80137031828372 0.08333333333333 15.999 > 49 76 O 0.83333333333333 0.80137031828372 0.08333333333333 15.999 > 49 77 O 0.46803698495038 0.16666666666667 0.08333333333333 15.999 > 53 78 O 0.96803698495038 0.16666666666667 0.08333333333333 15.999 > 53 79 O 0.46803698495038 0.66666666666667 0.08333333333333 15.999 > 53 80 O 0.96803698495038 0.66666666666667 0.08333333333333 15.999 > 53 81 O 0.19862968171628 0.03196301504962 0.08333333333333 15.999 > 57 82 O 0.69862968171628 0.03196301504962 0.08333333333333 15.999 > 57 83 O 0.19862968171628 0.53196301504962 0.08333333333333 15.999 > 57 84 O 0.69862968171628 0.53196301504962 0.08333333333333 15.999 > 57 85 O 0.00000000000000 0.36529634838295 0.25000000000000 15.999 > 61 86 O 0.50000000000000 0.36529634838295 0.25000000000000 15.999 > 61 87 O 0.00000000000000 0.86529634838295 0.25000000000000 15.999 > 61 88 O 0.50000000000000 0.86529634838295 0.25000000000000 15.999 > 61 89 O 0.36529634838295 0.00000000000000 0.25000000000000 15.999 > 65 90 O 0.86529634838295 0.00000000000000 0.25000000000000 15.999 > 65 91 O 0.36529634838295 0.50000000000000 0.25000000000000 15.999 > 65 92 O 0.86529634838295 0.50000000000000 0.25000000000000 15.999 > 65 93 O 0.13470365161705 0.13470365161705 0.25000000000000 15.999 > 69 94 O 0.63470365161705 0.13470365161705 0.25000000000000 15.999 > 69 95 O 0.13470365161705 0.63470365161705 0.25000000000000 15.999 > 69 96 O 0.63470365161705 0.63470365161705 0.25000000000000 15.999 > 69 97 O 0.16666666666667 0.46803698495038 0.41666666666667 15.999 > 49 98 O 0.66666666666667 0.46803698495038 0.41666666666667 15.999 > 49 99 O 0.16666666666667 0.96803698495038 0.41666666666667 15.999 > 49 100 O 0.66666666666667 0.96803698495038 0.41666666666667 15.999 > 49 101 O 0.30137031828372 0.33333333333333 0.41666666666667 15.999 > 53 102 O 0.80137031828372 0.33333333333333 0.41666666666667 15.999 > 53 103 O 0.30137031828372 0.83333333333333 0.41666666666667 15.999 > 53 104 O 0.80137031828372 0.83333333333333 0.41666666666667 15.999 > 53 105 O 0.03196301504962 0.19862968171628 0.41666666666667 15.999 > 57 106 O 0.53196301504962 0.19862968171628 0.41666666666667 15.999 > 57 107 O 0.03196301504962 0.69862968171628 0.41666666666667 15.999 > 57 108 O 0.53196301504962 0.69862968171628 0.41666666666667 15.999 > 57 109 O 0.33333333333333 0.03196301504962 0.58333333333333 15.999 > 61 110 O 0.83333333333333 0.03196301504962 0.58333333333333 15.999 > 61 111 O 0.33333333333333 0.53196301504962 0.58333333333333 15.999 > 61 112 O 0.83333333333333 0.53196301504962 0.58333333333333 15.999 > 61 113 O 0.19862968171628 0.16666666666667 0.58333333333333 15.999 > 65 114 O 0.69862968171628 0.16666666666667 0.58333333333333 15.999 > 65 115 O 0.19862968171628 0.66666666666667 0.58333333333333 15.999 > 65 116 O 0.69862968171628 0.66666666666667 0.58333333333333 15.999 > 65 117 O 0.46803698495038 0.30137031828372 0.58333333333333 15.999 > 69 118 O 0.96803698495038 0.30137031828372 0.58333333333333 15.999 > 69 119 O 0.46803698495038 0.80137031828372 0.58333333333333 15.999 > 69 120 O 0.96803698495038 0.80137031828372 0.58333333333333 15.999 > 69 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.0281634 -0.0000000 0.0000000 0.0000000 3.0281634 0.0000000 0.0000000 0.0000000 2.1212781 -------------------------- Born effective charges -------------------------- 1 Li 1.2979998 -0.2552267 -0.0000000 0.2552267 1.2979998 0.0000000 0.0000000 -0.0000000 1.0777317 2 Li 1.2979998 0.2552267 -0.0000000 -0.2552267 1.2979998 0.0000000 0.0000000 -0.0000000 1.0777317 3 N 2.8566415 -0.0000000 -0.0000000 0.0000000 2.8566415 0.0000000 0.0000000 -0.0000000 0.1652243 4 N 2.8566415 -0.0000000 -0.0000000 0.0000000 2.8566415 0.0000000 0.0000000 -0.0000000 0.1652243 5 O -1.0856703 0.5182473 0.0950811 0.5182473 -1.6840907 0.0548951 0.0545389 0.0314880 -0.4143187 6 O -1.9833009 -0.0000000 -0.0000000 0.0000000 -0.7864601 -0.1097902 0.0000000 -0.0629761 -0.4143187 7 O -1.0856703 -0.5182473 -0.0950811 -0.5182473 -1.6840907 0.0548951 -0.0545389 0.0314880 -0.4143187 8 O -1.0856703 0.5182473 0.0950811 0.5182473 -1.6840907 0.0548951 0.0545389 0.0314880 -0.4143187 9 O -1.9833009 -0.0000000 -0.0000000 0.0000000 -0.7864601 -0.1097902 0.0000000 -0.0629761 -0.4143187 10 O -1.0856703 -0.5182473 -0.0950811 -0.5182473 -1.6840907 0.0548951 -0.0545389 0.0314880 -0.4143187 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000008 (yxy) -0.00000008 (yxy) -0.00000008 (yyx) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 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: 0.91, Number of G-points: 297, Lambda: 0.16 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: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 4.134 ( 0.000 0.000 0.000) 0.000 4.134 ( 0.000 0.000 0.000) 0.000 4.818 ( 0.000 0.000 0.000) 0.000 4.818 ( 0.000 0.000 0.000) 0.000 5.066 ( 0.000 0.000 0.000) 0.000 6.544 ( 0.000 0.000 0.000) 0.000 7.175 ( 0.000 0.000 0.000) 0.000 7.319 ( 0.000 0.000 0.000) 0.000 7.319 ( 0.000 0.000 0.000) 0.000 7.965 ( 0.000 0.000 0.000) 0.000 9.178 ( 0.000 0.000 0.000) 0.000 9.178 ( 0.000 0.000 0.000) 0.000 9.420 ( 0.000 0.000 0.000) 0.000 9.420 ( 0.000 0.000 0.000) 0.000 10.332 ( 0.000 0.000 0.000) 0.000 21.565 ( 0.000 0.000 0.000) 0.000 21.565 ( 0.000 0.000 0.000) 0.000 21.601 ( 0.000 0.000 0.000) 0.000 21.601 ( 0.000 0.000 0.000) 0.000 24.106 ( 0.000 0.000 0.000) 0.000 24.154 ( 0.000 0.000 0.000) 0.000 32.625 ( 0.000 0.000 0.000) 0.000 32.674 ( 0.000 0.000 0.000) 0.000 41.390 ( 0.000 0.000 0.000) 0.000 41.390 ( 0.000 0.000 0.000) 0.000 42.292 ( 0.000 0.000 0.000) 0.000 42.292 ( 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: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.605 ( 23.834 13.761 15.136) 31.409 0.628 ( 29.980 17.309 -3.915) 34.838 1.368 ( 57.858 33.404 13.194) 68.099 4.157 ( 1.598 0.922 1.702) 2.510 4.217 ( 7.934 4.581 -4.031) 10.009 4.819 ( 0.431 0.249 -1.097) 1.204 4.936 ( 5.337 3.081 -1.898) 6.448 5.142 ( 0.427 0.247 14.481) 14.490 6.508 ( -3.032 -1.751 -0.701) 3.571 7.168 ( -0.025 -0.014 -2.107) 2.108 7.286 ( -3.152 -1.820 1.430) 3.910 7.290 ( -1.730 -0.999 -3.735) 4.236 8.031 ( -1.819 -1.050 17.532) 17.658 9.182 ( -0.117 -0.068 1.802) 1.807 9.244 ( -2.882 -1.664 -0.667) 3.394 9.439 ( 1.274 0.735 1.239) 1.923 10.205 ( -11.428 -6.598 1.262) 13.256 13.076 ( -5.059 -2.921 -22.696) 23.435 21.542 ( -1.937 -1.119 -0.351) 2.264 21.575 ( 0.619 0.358 0.367) 0.804 21.585 ( -1.274 -0.736 -0.607) 1.592 21.635 ( -0.258 -0.149 -0.176) 0.346 24.117 ( -0.388 -0.224 2.824) 2.859 24.156 ( 0.175 0.101 0.089) 0.221 32.619 ( -0.563 -0.325 0.033) 0.651 32.673 ( -0.052 -0.030 -0.399) 0.403 41.440 ( 3.646 2.105 3.403) 5.414 42.310 ( 2.683 1.549 -4.497) 5.461 42.369 ( 6.090 3.516 3.521) 7.865 44.712 ( 12.817 7.400 -63.063) 64.777 ======================= Grid point 2 (3/231) ======================= q-point: ( 0.15 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( 23.105 13.340 15.496) 30.853 1.276 ( 30.733 17.744 -3.443) 35.654 2.644 ( 51.688 29.842 12.569) 60.994 4.214 ( 2.451 1.415 2.443) 3.739 4.389 ( 8.585 4.956 -6.777) 12.008 4.840 ( 3.232 1.866 -3.517) 5.128 5.079 ( 8.177 4.721 -1.617) 9.580 5.276 ( 5.288 3.053 13.696) 14.995 6.409 ( -5.379 -3.106 -0.701) 6.251 7.147 ( -1.089 -0.629 -5.013) 5.168 7.208 ( -4.895 -2.826 3.473) 6.634 7.218 ( -1.463 -0.845 -6.014) 6.247 8.086 ( -0.733 -0.423 12.598) 12.626 9.154 ( -4.603 -2.657 -1.310) 5.474 9.177 ( -1.986 -1.146 2.042) 3.070 9.468 ( -0.393 -0.227 1.049) 1.142 9.897 ( -15.806 -9.126 6.095) 19.242 12.750 ( -14.091 -8.135 -20.074) 25.840 21.484 ( -2.936 -1.695 -0.639) 3.450 21.542 ( -2.159 -1.246 -0.960) 2.671 21.581 ( -0.734 -0.424 0.745) 1.129 21.634 ( 0.339 0.195 0.233) 0.455 24.125 ( 0.205 0.118 1.287) 1.308 24.162 ( 0.303 0.175 0.122) 0.371 32.603 ( -0.809 -0.467 0.027) 0.934 32.668 ( -0.157 -0.091 -0.723) 0.746 41.579 ( 6.445 3.721 6.662) 9.988 42.359 ( 4.734 2.733 -8.600) 10.190 42.583 ( 10.473 6.046 6.969) 13.957 44.645 ( 4.039 2.332 -33.689) 34.010 ======================= Grid point 3 (4/231) ======================= q-point: ( 0.23 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( 21.984 12.692 15.915) 29.961 1.931 ( 30.170 17.419 -3.116) 34.977 3.725 ( 38.714 22.352 13.552) 46.713 4.294 ( 5.409 3.123 0.311) 6.253 4.449 ( -0.245 -0.141 -7.025) 7.031 4.956 ( 9.678 5.588 -8.066) 13.782 5.265 ( 9.946 5.742 -4.001) 12.161 5.507 ( 8.014 4.627 16.845) 19.220 6.282 ( -5.735 -3.311 0.617) 6.650 7.032 ( -4.983 -2.877 -10.632) 12.090 7.118 ( -5.318 -3.071 6.004) 8.589 7.206 ( 2.121 1.224 -4.935) 5.509 8.113 ( -2.581 -1.490 10.836) 11.239 9.025 ( -14.322 -8.269 -2.755) 16.765 9.044 ( -4.342 -2.507 -1.672) 5.286 9.388 ( -5.331 -3.078 5.000) 7.931 9.743 ( -2.149 -1.241 12.533) 12.776 12.274 ( -18.642 -10.763 -22.392) 31.061 21.415 ( -2.821 -1.628 -0.712) 3.334 21.488 ( -2.087 -1.205 -1.031) 2.621 21.551 ( -2.236 -1.291 1.024) 2.778 21.644 ( 0.152 0.088 -0.026) 0.178 24.138 ( 0.465 0.269 0.763) 0.933 24.170 ( 0.347 0.201 0.079) 0.409 32.587 ( -0.650 -0.375 -0.003) 0.750 32.658 ( -0.332 -0.192 -0.910) 0.987 41.780 ( 7.728 4.462 9.645) 13.140 42.422 ( 5.673 3.275 -11.978) 13.652 42.882 ( 12.356 7.134 10.165) 17.518 44.542 ( 0.444 0.256 -24.788) 24.793 ======================= Grid point 4 (5/231) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.326 ( 20.424 11.792 16.197) 28.610 2.553 ( 27.632 15.953 -3.153) 32.062 4.199 ( 1.244 0.718 8.136) 8.262 4.336 ( -5.794 -3.345 -8.076) 10.487 4.709 ( 28.789 16.621 4.739) 33.579 5.131 ( 9.763 5.637 -9.836) 14.961 5.467 ( 10.611 6.126 -5.717) 13.520 5.774 ( 7.523 4.343 17.009) 19.099 6.184 ( -3.686 -2.128 2.451) 4.911 6.837 ( -6.842 -3.950 -13.643) 15.766 7.049 ( -4.112 -2.374 8.749) 9.954 7.235 ( 2.737 1.580 -5.912) 6.703 8.081 ( -4.879 -2.817 9.042) 10.653 8.604 ( -19.680 -11.362 -2.203) 22.831 8.962 ( -1.887 -1.089 -1.940) 2.917 9.337 ( -3.706 -2.139 7.222) 8.394 9.837 ( 3.259 1.881 15.221) 15.679 11.728 ( -19.395 -11.198 -24.991) 33.557 21.360 ( -1.787 -1.031 -0.587) 2.145 21.448 ( -0.998 -0.576 -0.833) 1.422 21.499 ( -2.907 -1.679 1.018) 3.508 21.632 ( -1.147 -0.662 -0.405) 1.385 24.153 ( 0.538 0.311 0.520) 0.810 24.177 ( 0.293 0.169 -0.018) 0.339 32.577 ( -0.225 -0.130 0.002) 0.260 32.644 ( -0.543 -0.313 -0.924) 1.116 42.004 ( 7.225 4.171 12.229) 14.804 42.475 ( 5.287 3.052 -14.411) 15.651 43.213 ( 12.003 6.930 12.879) 18.920 44.409 ( -1.771 -1.022 -20.929) 21.029 ======================= Grid point 5 (6/231) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.834 ( 18.053 10.423 16.086) 26.331 3.091 ( 22.536 13.011 -3.763) 26.292 4.132 ( -8.198 -4.733 -9.535) 13.436 4.176 ( -4.987 -2.880 3.595) 6.789 5.267 ( 16.633 9.603 9.653) 21.496 5.281 ( 8.460 4.884 -7.697) 12.436 5.669 ( 11.154 6.440 -7.877) 15.097 5.984 ( 3.935 2.272 15.015) 15.687 6.134 ( -2.789 -1.610 2.631) 4.158 6.596 ( -8.179 -4.722 -14.737) 17.504 7.045 ( -0.592 -0.342 10.796) 10.818 7.250 ( 1.525 0.880 -7.421) 7.627 8.007 ( -5.196 -3.000 7.029) 9.241 8.216 ( -13.869 -8.007 -1.395) 16.075 8.951 ( 1.980 1.143 -2.427) 3.334 9.267 ( -5.944 -3.432 5.945) 9.080 10.036 ( 6.656 3.843 19.370) 20.839 11.188 ( -17.198 -9.929 -26.339) 32.987 21.334 ( -0.276 -0.160 -0.440) 0.544 21.438 ( -2.981 -1.721 0.835) 3.542 21.440 ( 0.658 0.380 -0.397) 0.857 21.590 ( -2.358 -1.361 -0.639) 2.796 24.166 ( 0.462 0.267 0.395) 0.664 24.182 ( 0.147 0.085 -0.132) 0.214 32.577 ( 0.249 0.144 0.096) 0.303 32.625 ( -0.715 -0.413 -0.780) 1.136 42.211 ( 5.158 2.978 14.275) 15.468 42.496 ( 3.639 2.101 -15.808) 16.357 43.531 ( 10.249 5.918 14.975) 19.087 44.247 ( -3.644 -2.104 -18.956) 19.417 ======================= Grid point 6 (7/231) ======================= q-point: ( 0.46 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.266 ( 13.033 7.524 14.956) 21.217 3.434 ( 7.719 4.457 -8.258) 12.151 3.935 ( -2.247 -1.297 -7.065) 7.526 4.033 ( -8.791 -5.075 2.300) 10.408 5.427 ( 7.364 4.252 -5.161) 9.947 5.494 ( 0.325 0.187 7.019) 7.029 5.882 ( 10.756 6.210 -4.533) 13.221 6.055 ( -6.005 -3.467 1.671) 7.133 6.136 ( 4.329 2.499 13.934) 14.804 6.343 ( -7.656 -4.420 -14.046) 16.596 7.125 ( 2.107 1.217 10.482) 10.761 7.215 ( -0.963 -0.556 -8.938) 9.007 7.952 ( -1.988 -1.148 4.911) 5.421 7.999 ( -5.013 -2.895 -2.703) 6.389 9.022 ( 5.592 3.229 -3.276) 7.241 9.146 ( -7.112 -4.106 4.461) 9.345 10.329 ( 9.960 5.751 23.177) 25.874 10.714 ( -13.582 -7.842 -25.699) 30.107 21.343 ( 1.242 0.717 -0.441) 1.501 21.381 ( -2.405 -1.388 0.602) 2.841 21.471 ( 2.135 1.233 0.146) 2.469 21.529 ( -2.778 -1.604 -0.553) 3.255 24.176 ( 0.285 0.164 0.313) 0.454 24.182 ( -0.062 -0.036 -0.232) 0.243 32.588 ( 0.604 0.348 0.287) 0.754 32.605 ( -0.757 -0.437 -0.540) 1.028 42.370 ( 2.154 1.243 15.640) 15.836 42.465 ( 1.004 0.579 -16.189) 16.231 43.813 ( 7.946 4.588 16.501) 18.880 44.050 ( -5.665 -3.271 -17.692) 18.863 ======================= Grid point 14 (8/231) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.695 ( 0.000 25.560 20.162) 32.555 0.831 ( 0.000 32.758 19.769) 38.261 1.352 ( -0.000 61.552 13.379) 62.989 4.100 ( -0.000 0.031 -5.267) 5.267 4.240 ( -0.000 11.276 -1.201) 11.339 4.862 ( -0.000 2.425 -4.646) 5.241 4.885 ( 0.000 2.819 7.451) 7.966 5.238 ( 0.000 -3.117 17.335) 17.613 6.501 ( 0.000 -3.678 -1.645) 4.029 7.153 ( -0.000 0.153 -4.099) 4.102 7.246 ( -0.000 -5.290 -4.271) 6.799 7.319 ( -0.000 0.030 0.003) 0.030 8.091 ( 0.000 -13.939 23.171) 27.040 9.159 ( -0.000 -1.312 -1.229) 1.797 9.261 ( 0.000 -2.575 1.545) 3.003 9.417 ( -0.000 0.518 -1.579) 1.662 10.208 ( 0.000 -13.771 1.667) 13.871 13.033 ( -0.000 9.532 -25.111) 26.860 21.548 ( 0.000 -1.915 0.401) 1.956 21.567 ( -0.000 0.425 -0.668) 0.791 21.594 ( 0.000 -1.066 0.513) 1.184 21.617 ( -0.000 -0.626 -2.079) 2.171 24.136 ( 0.000 -2.201 4.413) 4.932 24.157 ( 0.000 0.199 0.183) 0.271 32.619 ( 0.000 -0.647 0.075) 0.652 32.670 ( -0.000 -0.082 -0.645) 0.650 41.400 ( -0.000 1.915 -1.683) 2.550 42.303 ( -0.000 3.835 -4.942) 6.255 42.366 ( -0.000 6.197 2.650) 6.740 44.335 ( -0.000 51.079 -90.171) 103.634 ======================= Grid point 15 (9/231) ======================= q-point: ( 0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( 12.620 24.409 15.803) 31.699 1.240 ( 5.436 31.522 15.256) 35.439 2.343 ( 36.339 47.570 13.478) 61.360 4.105 ( 4.193 -1.083 -4.285) 6.092 4.398 ( 3.482 14.720 -2.672) 15.360 4.835 ( -1.589 1.524 -1.588) 2.714 5.013 ( 5.046 4.968 3.385) 7.849 5.325 ( 2.291 3.536 13.576) 14.215 6.426 ( -2.431 -5.424 -2.135) 6.316 7.117 ( -1.492 -3.078 -6.076) 6.973 7.163 ( 0.625 -3.319 -5.925) 6.820 7.292 ( -3.363 0.312 0.341) 3.395 8.094 ( 1.931 -8.958 14.248) 16.941 9.160 ( 0.927 -2.570 -0.978) 2.902 9.212 ( -2.847 -2.417 1.807) 4.149 9.451 ( 3.286 0.395 -1.383) 3.587 9.990 ( -7.836 -18.381 4.231) 20.425 12.844 ( -14.828 -0.196 -16.496) 22.181 21.529 ( -2.982 -0.617 -0.514) 3.088 21.545 ( -0.352 -1.608 -0.357) 1.684 21.572 ( 0.277 -1.360 0.002) 1.388 21.614 ( 0.788 -1.449 -0.592) 1.752 24.135 ( -0.275 -0.568 2.187) 2.276 24.161 ( 0.142 0.270 0.223) 0.377 32.609 ( -0.458 -0.755 0.076) 0.886 32.664 ( -0.084 -0.089 -0.935) 0.943 41.499 ( 8.684 1.350 1.477) 8.912 42.317 ( 0.613 5.524 -7.914) 9.671 42.523 ( 7.683 8.047 4.843) 12.134 44.420 ( 6.184 21.355 -49.027) 53.832 ======================= Grid point 16 (10/231) ======================= q-point: ( 0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( 17.085 19.702 16.857) 31.052 1.763 ( 15.343 28.633 8.193) 33.502 3.431 ( 37.801 35.563 12.076) 53.286 4.158 ( 5.821 -3.036 -1.627) 6.764 4.536 ( -2.221 11.916 -3.755) 12.689 4.848 ( 3.648 3.357 -4.695) 6.828 5.174 ( 6.710 7.456 -1.225) 10.106 5.524 ( 6.628 5.838 15.443) 17.790 6.308 ( -3.350 -6.391 -1.483) 7.367 6.977 ( -2.817 -8.252 -9.204) 12.678 7.155 ( 1.979 1.533 -6.411) 6.883 7.228 ( -5.256 0.419 1.996) 5.638 8.112 ( 2.255 -9.425 11.313) 14.896 9.083 ( -5.254 -4.030 -0.062) 6.622 9.134 ( -6.654 -4.362 -2.133) 8.237 9.459 ( -1.686 -1.556 -0.351) 2.321 9.776 ( -0.713 -11.904 11.574) 16.618 12.413 ( -22.509 -5.707 -16.772) 28.644 21.460 ( -3.869 -0.458 -0.797) 3.977 21.502 ( -1.976 -1.605 -0.847) 2.683 21.567 ( -0.508 -1.722 0.727) 1.937 21.613 ( 1.699 -2.126 -0.341) 2.743 24.140 ( 0.147 0.059 1.146) 1.157 24.168 ( 0.217 0.297 0.181) 0.410 32.593 ( -0.604 -0.568 0.037) 0.830 32.656 ( -0.203 -0.099 -1.109) 1.132 41.699 ( 11.181 1.618 5.565) 12.594 42.347 ( 1.961 6.334 -10.970) 12.818 42.799 ( 11.799 8.549 7.644) 16.454 44.413 ( 1.173 9.530 -31.638) 33.063 ======================= Grid point 17 (11/231) ======================= q-point: ( 0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( 17.020 15.474 19.500) 30.156 2.350 ( 19.771 26.431 2.419) 33.096 4.196 ( 2.918 -4.762 -0.213) 5.589 4.304 ( 19.556 18.240 10.178) 28.614 4.555 ( 3.755 13.867 -3.227) 14.724 4.966 ( 8.744 4.944 -8.741) 13.316 5.358 ( 7.761 8.364 -3.924) 12.066 5.784 ( 7.553 5.352 16.374) 18.809 6.197 ( -1.982 -6.151 0.007) 6.463 6.783 ( -3.695 -9.487 -12.124) 15.832 7.158 ( -5.157 0.050 4.688) 6.970 7.177 ( 2.296 2.422 -7.182) 7.919 8.096 ( 0.592 -10.351 9.314) 13.937 8.781 ( -17.228 -13.328 -2.500) 21.925 9.009 ( -4.326 0.789 -1.609) 4.682 9.442 ( -1.942 1.483 4.471) 5.095 9.834 ( 5.950 -4.084 14.616) 16.301 11.855 ( -24.616 -8.837 -19.144) 32.412 21.394 ( -3.181 -0.107 -0.654) 3.250 21.454 ( -1.465 -1.245 -0.789) 2.078 21.530 ( -2.170 -1.834 0.821) 2.957 21.614 ( 1.084 -2.625 -0.515) 2.886 24.151 ( 0.392 0.262 0.678) 0.826 24.175 ( 0.210 0.273 0.074) 0.352 32.581 ( -0.402 -0.186 0.011) 0.443 32.644 ( -0.394 -0.113 -1.106) 1.179 41.941 ( 11.372 1.721 8.758) 14.456 42.382 ( 2.546 6.109 -13.152) 14.723 43.133 ( 13.169 7.785 10.124) 18.345 44.327 ( -1.819 4.420 -24.312) 24.777 ======================= Grid point 18 (12/231) ======================= q-point: ( 0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.748 ( 16.411 12.514 18.824) 27.934 2.911 ( 18.233 22.677 0.791) 29.108 4.131 ( -4.087 -5.694 -2.574) 7.466 4.347 ( -9.296 5.603 -0.009) 10.854 5.101 ( 21.077 13.830 6.682) 26.080 5.119 ( 11.439 5.262 -7.115) 14.462 5.535 ( 7.852 7.023 -6.087) 12.167 6.012 ( 4.993 2.371 15.039) 16.023 6.129 ( -0.084 -5.512 0.132) 5.514 6.557 ( -4.445 -9.500 -13.285) 16.926 7.120 ( -2.810 -0.225 7.841) 8.333 7.191 ( 1.775 1.603 -8.623) 8.949 8.036 ( -1.186 -9.448 7.122) 11.890 8.368 ( -15.870 -10.973 -1.562) 19.357 8.974 ( -1.845 4.704 -1.747) 5.346 9.425 ( -6.437 3.546 4.043) 8.388 10.018 ( 9.148 -1.891 19.131) 21.290 11.267 ( -22.238 -10.214 -21.245) 32.407 21.351 ( -1.815 0.504 -0.412) 1.929 21.430 ( 0.106 -0.557 -0.493) 0.751 21.474 ( -2.841 -1.752 0.715) 3.413 21.590 ( -0.441 -2.948 -0.714) 3.065 24.164 ( 0.446 0.291 0.455) 0.701 24.180 ( 0.117 0.196 -0.054) 0.235 32.578 ( -0.008 0.234 0.058) 0.241 32.629 ( -0.615 -0.123 -0.941) 1.131 42.182 ( 9.719 1.254 10.637) 14.463 42.403 ( 1.979 4.916 -13.733) 14.720 43.471 ( 12.552 6.273 11.891) 18.393 44.191 ( -3.681 1.374 -20.739) 21.107 ======================= Grid point 19 (13/231) ======================= q-point: ( 0.46 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.198 ( 14.209 8.842 15.947) 23.117 3.342 ( 9.885 14.056 0.070) 17.184 3.970 ( -6.250 -0.521 -4.868) 7.939 4.219 ( -12.315 3.692 1.107) 12.905 5.283 ( 10.568 3.216 -6.445) 12.789 5.494 ( 6.261 3.087 8.161) 10.739 5.709 ( 11.842 6.305 -7.481) 15.360 6.057 ( -0.999 -6.485 -3.178) 7.290 6.157 ( 3.392 -0.789 11.920) 12.418 6.338 ( -5.082 -6.929 -7.943) 11.701 7.150 ( 1.229 -0.316 7.818) 7.921 7.166 ( 0.064 -0.461 -8.554) 8.567 7.969 ( -1.018 -6.214 4.361) 7.659 8.067 ( -9.550 -5.857 -1.370) 11.286 9.022 ( 0.829 9.233 -2.696) 9.655 9.334 ( -10.896 3.792 3.396) 12.027 10.295 ( 12.287 -0.142 23.005) 26.081 10.732 ( -16.831 -10.272 -21.873) 29.448 21.341 ( -0.192 1.119 -0.336) 1.184 21.415 ( -2.794 -1.320 0.538) 3.136 21.443 ( 1.909 0.139 -0.025) 1.914 21.540 ( -1.530 -2.906 -0.676) 3.354 24.175 ( 0.342 0.230 0.340) 0.535 24.182 ( -0.045 0.076 -0.168) 0.190 32.586 ( 0.383 0.560 0.198) 0.707 32.613 ( -0.776 -0.116 -0.675) 1.035 42.359 ( 4.215 1.361 -6.554) 7.910 42.417 ( 2.737 2.023 5.058) 6.097 43.780 ( 10.825 4.572 12.382) 17.071 44.019 ( -5.265 -0.826 -18.131) 18.898 ======================= Grid point 20 (14/231) ======================= q-point: (-0.46 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.332 ( -9.319 -4.353 -9.459) 13.974 3.531 ( 2.896 2.877 15.568) 16.094 4.001 ( 0.755 10.607 -2.596) 10.946 4.055 ( -7.508 5.897 4.566) 10.582 5.421 ( 5.643 1.352 -6.593) 8.783 5.498 ( -4.315 -5.060 3.183) 7.372 5.910 ( 6.034 -1.697 -5.937) 8.633 5.941 ( 1.502 -2.816 -4.298) 5.353 6.136 ( -4.862 -5.234 -5.553) 9.048 6.329 ( 5.544 0.554 15.751) 16.707 7.082 ( -1.472 -2.270 -10.954) 11.283 7.231 ( 2.557 -0.264 8.125) 8.522 7.914 ( -1.571 -2.274 -3.802) 4.700 7.967 ( 1.884 -1.028 3.040) 3.721 9.135 ( 1.846 11.987 -4.283) 12.862 9.194 ( -11.595 3.977 3.339) 12.704 10.301 ( -10.847 -9.472 -20.467) 25.026 10.656 ( 15.465 1.830 25.057) 29.502 21.361 ( 1.090 1.408 -0.535) 1.859 21.369 ( -1.850 -0.292 0.477) 1.932 21.484 ( -1.342 -2.241 -0.385) 2.640 21.490 ( 2.854 0.221 0.426) 2.894 24.178 ( -0.248 -0.059 -0.251) 0.357 24.182 ( 0.136 0.127 0.260) 0.320 32.596 ( -0.774 -0.070 -0.390) 0.869 32.602 ( 0.629 0.715 0.397) 1.032 42.310 ( -1.234 0.214 -14.795) 14.848 42.544 ( 1.891 -0.020 15.054) 15.173 43.802 ( -6.499 -3.024 -17.857) 19.242 44.053 ( 8.218 3.573 14.136) 16.737 ======================= Grid point 21 (15/231) ======================= q-point: (-0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.972 ( -17.873 -8.278 -11.080) 22.600 3.410 ( -21.467 -4.303 6.755) 22.912 4.053 ( 4.813 2.712 4.245) 6.967 4.229 ( 2.421 13.626 3.754) 14.339 5.347 ( -7.878 -5.545 -9.445) 13.492 5.371 ( -5.400 -6.640 3.879) 9.397 5.801 ( -5.553 -5.913 2.533) 8.497 5.964 ( -4.885 -2.541 -7.754) 9.510 6.043 ( 5.289 -1.065 -4.918) 7.300 6.539 ( 9.382 -0.673 14.283) 17.102 6.991 ( -0.159 0.338 -10.986) 10.993 7.293 ( 0.316 -0.583 6.466) 6.499 7.891 ( 3.700 -1.719 -5.308) 6.695 8.088 ( 9.715 4.515 1.284) 10.790 9.064 ( -8.735 3.369 2.715) 9.748 9.264 ( 0.996 12.617 -5.470) 13.787 9.982 ( -6.005 -7.985 -17.133) 19.833 11.098 ( 18.884 4.240 24.831) 31.483 21.346 ( -0.807 0.646 0.395) 1.107 21.406 ( 2.318 1.846 -0.684) 3.042 21.445 ( -0.729 -1.416 0.181) 1.603 21.549 ( 3.412 -0.150 0.482) 3.449 24.170 ( -0.450 -0.176 -0.304) 0.571 24.184 ( -0.103 0.020 0.176) 0.205 32.583 ( -0.559 0.027 -0.156) 0.581 32.622 ( 0.695 0.683 0.579) 1.133 42.185 ( -3.946 -2.075 -13.211) 13.942 42.619 ( -2.003 -0.525 15.197) 15.337 43.551 ( -8.647 -4.628 -16.276) 19.002 44.278 ( 6.438 2.822 14.262) 15.900 ======================= Grid point 22 (16/231) ======================= q-point: (-0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.507 ( -21.493 -8.537 -10.837) 25.539 2.948 ( -30.088 -6.838 4.685) 31.209 4.149 ( 2.816 0.430 -1.956) 3.456 4.385 ( -0.173 8.754 6.284) 10.777 4.985 ( -21.161 -9.518 -6.382) 24.065 5.242 ( -6.004 -7.777 7.038) 12.086 5.632 ( -10.784 -4.961 6.183) 13.385 5.785 ( -7.885 -1.967 -13.904) 16.105 6.092 ( 5.560 -1.511 -3.988) 7.007 6.745 ( 10.433 -3.360 8.529) 13.888 7.002 ( 2.965 5.815 -5.475) 8.520 7.295 ( -2.440 -0.895 4.655) 5.331 7.928 ( 6.567 -2.918 -6.615) 9.767 8.389 ( 18.243 8.323 1.316) 20.095 9.009 ( -3.629 3.796 2.739) 5.923 9.335 ( -0.933 8.687 -7.403) 11.452 9.773 ( -2.533 -5.237 -12.502) 13.789 11.607 ( 21.560 6.566 22.186) 31.626 21.359 ( 0.594 1.867 0.583) 2.044 21.439 ( 0.731 -0.300 0.628) 1.009 21.462 ( 2.747 1.707 -0.897) 3.356 21.597 ( 2.766 -1.218 0.219) 3.030 24.157 ( -0.607 -0.239 -0.345) 0.738 24.181 ( -0.307 -0.062 0.083) 0.324 32.577 ( -0.145 0.155 -0.020) 0.213 32.642 ( 0.605 0.509 0.665) 1.033 42.010 ( -6.152 -3.711 -10.904) 13.058 42.628 ( -5.420 -0.557 14.418) 15.413 43.264 ( -10.436 -5.672 -14.426) 18.686 44.468 ( 4.783 2.461 14.225) 15.208 ======================= Grid point 23 (17/231) ======================= q-point: (-0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.000 ( -24.197 -7.645 -9.337) 27.039 2.370 ( -33.833 -7.577 4.013) 34.902 4.068 ( -19.026 0.357 -12.576) 22.809 4.289 ( -11.272 -15.275 4.882) 19.601 4.634 ( -9.553 7.704 6.383) 13.833 5.077 ( -8.044 -9.139 4.858) 13.108 5.431 ( -12.310 -3.401 4.914) 13.684 5.541 ( -9.724 -1.734 -13.871) 17.028 6.179 ( 7.740 0.412 -2.134) 8.039 6.911 ( 10.303 -2.804 2.094) 10.881 7.108 ( 3.201 6.459 0.714) 7.244 7.257 ( -3.004 -1.030 3.145) 4.469 7.966 ( 6.097 -4.119 -7.083) 10.213 8.819 ( 20.863 7.510 2.490) 22.313 9.047 ( 1.332 5.115 3.247) 6.203 9.342 ( 1.190 3.996 -7.884) 8.918 9.656 ( -0.965 -2.779 -8.685) 9.169 12.142 ( 22.126 7.496 17.454) 29.161 21.405 ( 1.762 2.797 0.773) 3.395 21.467 ( 1.983 0.534 0.897) 2.241 21.515 ( 2.594 1.196 -1.000) 3.026 21.617 ( 1.694 -2.331 -0.235) 2.891 24.142 ( -0.682 -0.230 -0.386) 0.817 24.175 ( -0.425 -0.097 0.002) 0.436 32.581 ( 0.360 0.246 0.019) 0.436 32.658 ( 0.436 0.285 0.598) 0.793 41.809 ( -7.340 -4.129 -7.972) 11.596 42.585 ( -7.733 -0.106 12.697) 14.867 42.958 ( -11.430 -5.812 -12.156) 17.669 44.631 ( 3.542 2.196 13.814) 14.429 ======================= Grid point 24 (18/231) ======================= q-point: (-0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( -26.717 -5.375 -6.294) 27.969 1.753 ( -35.284 -5.518 3.182) 35.855 3.283 ( -52.282 -9.989 -6.785) 53.659 4.167 ( -0.064 -5.304 -0.173) 5.308 4.607 ( -10.812 5.427 5.020) 13.098 4.899 ( -4.513 -5.578 1.644) 7.361 5.214 ( -12.240 -2.084 0.605) 12.431 5.321 ( -8.536 -0.825 -6.810) 10.951 6.317 ( 8.168 1.035 -0.316) 8.240 7.057 ( 8.834 -1.070 0.233) 8.902 7.201 ( -0.186 3.259 0.183) 3.269 7.233 ( 0.980 -0.037 3.099) 3.250 7.975 ( 3.615 -3.456 -5.757) 7.626 9.089 ( 7.141 1.218 0.696) 7.278 9.159 ( 1.515 2.995 0.817) 3.455 9.471 ( 5.393 6.031 1.469) 8.223 9.624 ( 12.490 -2.323 -8.162) 15.100 12.631 ( 19.900 5.689 10.738) 23.317 21.472 ( 2.298 3.008 0.715) 3.852 21.516 ( 2.395 0.577 0.835) 2.601 21.554 ( 1.828 -0.047 -0.842) 2.013 21.612 ( 1.056 -2.157 -0.501) 2.453 24.127 ( -0.662 -0.148 -0.387) 0.781 24.166 ( -0.432 -0.074 -0.033) 0.439 32.593 ( 0.766 0.212 0.005) 0.794 32.668 ( 0.263 0.100 0.365) 0.460 41.621 ( -7.148 -2.961 -4.376) 8.889 42.511 ( -8.591 0.840 10.033) 13.235 42.665 ( -10.789 -4.702 -9.489) 15.118 44.769 ( 2.829 1.603 11.669) 12.113 ======================= Grid point 25 (19/231) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( -28.801 -0.000 0.000) 28.801 1.153 ( -35.262 -0.000 0.000) 35.262 2.238 ( -63.588 -0.000 0.000) 63.588 4.138 ( -0.170 -0.000 0.000) 0.170 4.418 ( -14.162 -0.000 0.000) 14.162 4.847 ( -1.437 -0.000 0.000) 1.437 5.026 ( -8.571 -0.000 0.000) 8.571 5.175 ( -6.421 -0.000 0.000) 6.421 6.442 ( 6.077 0.000 -0.000) 6.077 7.164 ( 2.749 0.000 -0.000) 2.749 7.212 ( 3.351 0.000 -0.000) 3.351 7.284 ( 2.047 0.000 -0.000) 2.047 7.974 ( 0.740 0.000 -0.000) 0.740 9.173 ( 0.070 0.000 -0.000) 0.070 9.193 ( 4.831 0.000 -0.000) 4.831 9.462 ( -2.807 -0.000 0.000) 2.807 9.957 ( 21.048 0.000 -0.000) 21.048 12.983 ( 14.952 0.000 -0.000) 14.952 21.533 ( 2.076 0.000 -0.000) 2.076 21.549 ( 1.194 0.000 -0.000) 1.194 21.572 ( 1.362 0.000 -0.000) 1.362 21.620 ( 1.128 0.000 -0.000) 1.128 24.115 ( -0.549 -0.000 0.000) 0.549 24.159 ( -0.336 -0.000 0.000) 0.336 32.608 ( 0.865 0.000 -0.000) 0.865 32.673 ( 0.130 0.000 -0.000) 0.130 41.487 ( -5.585 -0.000 0.000) 5.585 42.426 ( -7.830 -0.000 0.000) 7.830 42.438 ( -7.958 -0.000 0.000) 7.958 44.861 ( 2.548 0.000 -0.000) 2.548 ======================= Grid point 28 (20/231) ======================= q-point: ( 0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( 0.000 25.277 20.330) 32.438 1.650 ( 0.000 32.668 18.065) 37.331 2.566 ( -0.000 51.327 11.000) 52.493 4.069 ( -0.000 4.844 -6.885) 8.418 4.499 ( -0.000 16.319 -1.743) 16.411 4.851 ( -0.000 1.805 -5.101) 5.411 5.069 ( 0.000 5.330 12.439) 13.533 5.399 ( 0.000 4.576 10.253) 11.228 6.368 ( 0.000 -7.632 -3.327) 8.326 7.039 ( -0.000 -9.336 -8.282) 12.480 7.110 ( -0.000 1.699 -6.718) 6.930 7.324 ( 0.000 0.432 0.230) 0.489 8.052 ( 0.000 -8.830 10.879) 14.011 9.103 ( -0.000 -2.562 -2.366) 3.487 9.224 ( 0.000 -3.565 3.172) 4.772 9.407 ( -0.000 1.008 -3.180) 3.336 9.860 ( 0.000 -25.078 3.827) 25.368 12.930 ( -0.000 -1.396 -8.812) 8.922 21.507 ( 0.000 -2.883 0.867) 3.010 21.554 ( -0.000 -1.765 -0.983) 2.020 21.571 ( 0.000 -2.015 0.838) 2.182 21.583 ( -0.000 0.419 -2.502) 2.537 24.141 ( 0.000 -0.700 1.915) 2.039 24.164 ( 0.000 0.335 0.277) 0.435 32.605 ( 0.000 -0.920 0.102) 0.925 32.659 ( -0.000 -0.117 -1.056) 1.063 41.424 ( -0.000 3.141 -3.214) 4.494 42.331 ( -0.000 6.379 -8.709) 10.796 42.569 ( -0.000 10.739 4.534) 11.657 44.377 ( -0.000 24.218 -40.166) 46.903 ======================= Grid point 29 (21/231) ======================= q-point: ( 0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( 7.694 24.119 19.142) 31.739 2.022 ( -0.686 32.988 15.484) 36.447 3.298 ( 25.403 36.344 9.024) 45.251 4.112 ( 1.199 9.502 -3.970) 10.367 4.659 ( 0.537 14.101 -2.415) 14.316 4.830 ( -0.503 1.661 -4.587) 4.904 5.197 ( 1.163 8.073 7.665) 11.192 5.551 ( 5.430 6.337 11.324) 14.067 6.257 ( -1.149 -9.195 -3.467) 9.894 6.878 ( -1.945 -10.565 -10.219) 14.827 7.109 ( 1.446 2.811 -7.316) 7.970 7.308 ( -2.771 0.699 0.754) 2.955 8.033 ( 1.584 -9.520 9.096) 13.262 9.093 ( 1.742 -2.596 -2.098) 3.765 9.163 ( -5.072 -5.610 1.800) 7.774 9.408 ( 1.082 -2.594 -5.476) 6.155 9.650 ( 3.089 -21.410 9.380) 23.578 12.695 ( -19.858 -2.975 -6.619) 21.143 21.486 ( -0.796 -2.807 -0.015) 2.918 21.529 ( -2.275 -0.768 -0.436) 2.441 21.530 ( 0.989 -2.456 -0.486) 2.692 21.581 ( 0.115 -1.047 -0.707) 1.269 24.145 ( 0.017 -0.204 1.234) 1.251 24.170 ( 0.090 0.362 0.251) 0.450 32.594 ( -0.257 -0.770 0.073) 0.815 32.652 ( -0.086 -0.092 -1.162) 1.169 41.530 ( 10.379 2.023 -1.483) 10.678 42.344 ( -0.015 7.140 -10.473) 12.675 42.765 ( 7.209 11.131 5.822) 14.484 44.385 ( -1.398 15.754 -28.971) 33.007 ======================= Grid point 30 (22/231) ======================= q-point: ( 0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( 11.439 20.678 18.648) 30.103 2.451 ( 6.758 31.827 11.620) 34.550 3.957 ( 19.274 5.096 0.253) 19.938 4.345 ( 10.431 26.264 7.978) 29.364 4.675 ( -5.983 7.038 -5.285) 10.642 4.876 ( 3.885 5.104 -4.852) 8.043 5.345 ( 3.174 10.345 1.039) 10.870 5.790 ( 7.696 5.853 13.513) 16.616 6.135 ( -0.473 -9.626 -2.429) 9.939 6.672 ( -2.972 -11.742 -12.152) 17.158 7.128 ( 1.795 3.547 -7.933) 8.874 7.260 ( -4.345 0.421 2.283) 4.927 8.010 ( 1.813 -10.922 8.114) 13.726 8.889 ( -13.935 -15.310 -1.561) 20.761 9.069 ( -1.867 0.529 -1.953) 2.753 9.401 ( 5.613 -3.431 -0.995) 6.653 9.703 ( 10.320 -9.009 11.759) 18.054 12.202 ( -30.628 -3.327 -7.304) 31.662 21.433 ( -2.142 -1.581 -0.733) 2.762 21.475 ( -2.837 -0.523 -0.660) 2.959 21.532 ( 0.988 -2.633 0.324) 2.831 21.562 ( 0.247 -2.331 -0.345) 2.369 24.151 ( 0.241 0.122 0.746) 0.793 24.176 ( 0.109 0.347 0.155) 0.396 32.584 ( -0.266 -0.360 0.028) 0.448 32.643 ( -0.193 -0.030 -1.158) 1.174 41.756 ( 14.662 0.598 1.889) 14.796 42.358 ( 0.525 7.172 -12.077) 14.056 43.054 ( 11.165 9.676 7.506) 16.572 44.324 ( -4.214 9.415 -22.142) 24.426 ======================= Grid point 31 (23/231) ======================= q-point: ( 0.38 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.740 ( 12.315 16.094 18.286) 27.296 2.944 ( 10.575 29.208 8.128) 32.109 4.110 ( 2.548 -2.028 -0.019) 3.256 4.547 ( -7.373 6.976 -2.555) 10.466 4.956 ( 11.677 10.989 1.747) 16.130 4.972 ( 13.504 13.436 -1.317) 19.095 5.491 ( 3.570 8.629 -2.525) 9.673 6.007 ( 4.657 -2.423 7.796) 9.399 6.054 ( 2.434 -4.253 3.144) 5.822 6.443 ( -2.677 -11.920 -12.447) 17.441 7.140 ( 1.002 2.657 -9.195) 9.624 7.206 ( -3.887 -0.595 4.704) 6.131 7.970 ( 1.154 -10.362 6.511) 12.292 8.496 ( -14.430 -13.671 -1.558) 19.938 9.053 ( -1.866 5.440 -1.405) 5.920 9.465 ( 4.331 -1.339 -2.262) 5.066 9.889 ( 12.558 -6.884 16.328) 21.719 11.589 ( -33.898 -3.436 -8.766) 35.181 21.388 ( -1.924 -0.055 -0.497) 1.988 21.428 ( -1.432 -0.721 -0.507) 1.682 21.502 ( -1.978 -1.716 0.408) 2.650 21.546 ( 1.113 -3.614 -0.520) 3.817 24.162 ( 0.394 0.243 0.470) 0.660 24.181 ( 0.055 0.284 0.027) 0.291 32.581 ( -0.037 0.137 0.032) 0.146 32.632 ( -0.377 0.040 -1.010) 1.078 42.022 ( 14.739 -0.109 4.446) 15.395 42.369 ( 0.774 6.023 -12.236) 13.660 43.376 ( 12.550 7.324 8.580) 16.875 44.203 ( -6.097 5.221 -18.135) 19.832 ======================= Grid point 32 (24/231) ======================= q-point: ( 0.46 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.157 ( 11.376 11.547 14.335) 21.638 3.388 ( 7.206 20.694 7.943) 23.308 4.065 ( -5.250 2.326 -0.414) 5.757 4.475 ( -10.038 8.577 -0.981) 13.240 5.091 ( 10.786 2.374 -6.882) 13.013 5.430 ( 12.963 8.845 8.356) 17.779 5.592 ( 3.908 5.400 -6.025) 8.986 5.948 ( 1.243 -10.081 -6.337) 11.972 6.120 ( 1.396 -6.544 2.186) 7.039 6.301 ( 0.868 -4.255 1.850) 4.720 7.106 ( -0.374 -0.409 -9.967) 9.982 7.185 ( -0.984 -1.233 6.151) 6.350 7.925 ( 0.620 -7.401 4.151) 8.508 8.172 ( -11.226 -7.854 -0.936) 13.733 9.106 ( -0.013 10.840 -2.220) 11.065 9.471 ( -0.765 -0.556 -3.500) 3.626 10.156 ( 15.159 -5.425 20.615) 26.157 10.962 ( -31.340 -3.763 -10.118) 33.147 21.364 ( -1.319 1.067 -0.253) 1.715 21.416 ( 0.921 -0.602 -0.178) 1.114 21.450 ( -2.552 -1.313 0.307) 2.886 21.518 ( -0.027 -3.564 -0.588) 3.612 24.173 ( 0.395 0.240 0.327) 0.567 24.183 ( -0.066 0.177 -0.089) 0.209 32.587 ( 0.295 0.552 0.117) 0.637 32.620 ( -0.603 0.093 -0.756) 0.972 42.253 ( 8.970 1.242 -1.006) 9.111 42.384 ( 3.385 2.307 -3.969) 5.704 43.682 ( 11.987 4.941 7.714) 15.087 44.042 ( -7.034 2.191 -14.465) 16.233 ======================= Grid point 33 (25/231) ======================= q-point: ( 0.54 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.382 ( -2.302 1.538 -2.291) 3.594 3.608 ( 1.456 5.369 17.490) 18.353 4.116 ( 0.642 17.930 -0.312) 17.944 4.345 ( -14.979 7.945 1.963) 17.069 5.267 ( 10.630 1.845 -6.606) 12.651 5.520 ( -3.391 -4.940 1.373) 6.147 5.747 ( 8.630 0.809 -2.832) 9.118 5.827 ( 2.522 -6.070 -11.257) 13.036 6.079 ( 2.520 -7.324 -1.014) 7.811 6.346 ( 1.605 -1.469 13.279) 13.456 7.022 ( -1.198 -2.506 -10.925) 11.273 7.216 ( 2.426 -1.885 6.461) 7.154 7.901 ( 0.406 -2.514 0.044) 2.547 7.977 ( -5.264 -3.302 0.658) 6.249 9.223 ( 0.891 14.261 -4.149) 14.879 9.403 ( -5.425 1.170 -1.687) 5.800 10.402 ( -23.395 -4.973 -10.725) 26.212 10.497 ( 16.997 -3.680 21.625) 27.750 21.364 ( -0.044 1.550 -0.339) 1.588 21.401 ( -2.103 -0.625 0.257) 2.209 21.443 ( 2.502 -0.379 0.177) 2.537 21.477 ( -0.707 -2.955 -0.355) 3.059 24.181 ( -0.204 0.059 -0.150) 0.260 24.182 ( 0.224 0.164 0.226) 0.358 32.601 ( 0.545 0.761 0.234) 0.965 32.607 ( -0.742 0.131 -0.449) 0.878 42.270 ( -1.148 2.182 -12.286) 12.531 42.529 ( 7.875 -1.123 10.355) 13.058 43.802 ( -5.488 0.305 -14.438) 15.449 44.002 ( 8.190 2.668 9.118) 12.543 ======================= Grid point 34 (26/231) ======================= q-point: (-0.38 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.144 ( -16.288 -5.507 -6.370) 18.336 3.714 ( -8.554 1.577 12.612) 15.320 4.138 ( -9.864 6.503 0.513) 11.826 4.376 ( 0.519 17.953 4.795) 18.590 5.325 ( -0.497 -2.919 -10.371) 10.785 5.378 ( -3.392 -8.765 0.815) 9.434 5.746 ( 3.495 -4.316 -4.715) 7.285 5.888 ( 6.434 -2.206 -2.495) 7.245 6.022 ( -3.158 -3.284 -1.620) 4.835 6.458 ( 5.756 -3.338 12.879) 14.496 6.934 ( 0.377 -0.528 -9.941) 9.962 7.282 ( 3.404 -1.534 5.008) 6.247 7.843 ( -2.414 -1.215 -2.816) 3.903 7.994 ( 6.031 1.504 1.272) 6.345 9.259 ( -6.770 3.961 -2.705) 8.297 9.392 ( -2.235 13.926 -1.517) 14.185 9.969 ( -14.053 -7.015 -11.437) 19.430 10.900 ( 20.857 -1.303 20.444) 29.234 21.369 ( -0.903 0.535 -0.118) 1.057 21.394 ( 1.000 1.830 -0.103) 2.088 21.438 ( -0.468 -2.064 -0.092) 2.118 21.490 ( 3.260 -0.907 0.421) 3.410 24.175 ( -0.420 -0.062 -0.203) 0.471 24.187 ( 0.025 0.087 0.173) 0.195 32.594 ( -0.735 0.138 -0.222) 0.781 32.621 ( 0.673 0.751 0.374) 1.076 42.177 ( -3.935 -0.076 -10.571) 11.280 42.676 ( 3.767 -0.810 11.708) 12.326 43.582 ( -9.381 -2.041 -14.222) 17.159 44.232 ( 9.343 2.150 9.543) 13.527 ======================= Grid point 35 (27/231) ======================= q-point: (-0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.748 ( -20.819 -5.433 -5.937) 22.321 3.428 ( -28.367 -0.893 5.277) 28.868 4.129 ( 0.198 2.201 1.219) 2.524 4.547 ( -2.238 13.721 5.457) 14.934 5.114 ( -9.387 -8.152 -8.805) 15.235 5.275 ( -3.664 -6.556 3.137) 8.139 5.715 ( -2.200 -3.612 -1.121) 4.376 5.883 ( -9.151 -0.999 -2.064) 9.434 5.952 ( 5.631 -2.728 -3.442) 7.141 6.578 ( 8.143 -4.777 5.100) 10.730 6.963 ( 5.101 3.999 -3.373) 7.307 7.328 ( 0.521 -0.932 3.268) 3.438 7.803 ( 1.456 -2.097 -3.403) 4.255 8.191 ( 13.707 4.577 0.698) 14.468 9.168 ( -7.408 4.409 1.679) 8.782 9.428 ( -5.939 7.591 -5.734) 11.214 9.717 ( -3.152 -4.064 -8.021) 9.528 11.365 ( 23.976 1.216 15.815) 28.747 21.372 ( 0.234 1.437 0.188) 1.468 21.425 ( 0.606 -0.987 0.363) 1.214 21.437 ( 1.894 2.129 -0.466) 2.888 21.531 ( 3.141 -2.038 0.186) 3.748 24.164 ( -0.595 -0.120 -0.195) 0.637 24.186 ( -0.218 0.013 0.097) 0.239 32.584 ( -0.491 0.148 -0.059) 0.516 32.640 ( 0.639 0.532 0.392) 0.919 42.037 ( -6.146 -1.620 -7.671) 9.962 42.756 ( -0.916 0.012 11.731) 11.767 43.319 ( -10.886 -3.269 -12.664) 17.016 44.439 ( 8.046 1.689 8.021) 11.486 ======================= Grid point 36 (28/231) ======================= q-point: (-0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.311 ( -23.682 -3.465 -3.895) 24.250 2.908 ( -34.230 -1.926 2.444) 34.371 4.144 ( -0.178 1.052 -1.691) 2.000 4.527 ( -17.759 0.514 1.527) 17.832 4.869 ( -7.324 1.678 0.565) 7.535 5.127 ( -8.484 -7.683 1.443) 11.537 5.599 ( -7.665 -2.583 1.214) 8.179 5.671 ( -13.061 0.471 -4.477) 13.815 6.030 ( 8.001 -1.060 -1.847) 8.279 6.714 ( 10.829 -2.207 0.595) 11.068 7.091 ( 5.489 3.382 0.748) 6.490 7.313 ( -2.744 -0.553 1.559) 3.204 7.815 ( 4.445 -2.327 -2.891) 5.790 8.529 ( 21.054 4.055 0.890) 21.460 9.139 ( -3.539 5.865 4.359) 8.120 9.314 ( -3.240 -3.141 -8.163) 9.327 9.653 ( -2.264 1.034 -3.073) 3.954 11.860 ( 25.634 2.245 8.844) 27.210 21.403 ( 1.568 1.454 0.300) 2.160 21.444 ( 1.835 0.244 0.531) 1.926 21.487 ( 1.969 1.916 -0.466) 2.786 21.554 ( 2.481 -2.871 -0.163) 3.798 24.151 ( -0.723 -0.101 -0.142) 0.744 24.181 ( -0.401 -0.022 0.029) 0.403 32.580 ( -0.067 0.117 0.003) 0.135 32.655 ( 0.522 0.236 0.268) 0.632 41.874 ( -7.663 -1.708 -4.126) 8.869 42.770 ( -5.010 1.069 10.589) 11.763 43.037 ( -11.920 -3.431 -10.708) 16.387 44.610 ( 6.742 1.160 5.358) 8.690 ======================= Grid point 37 (29/231) ======================= q-point: (-0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( -25.853 -0.000 0.000) 25.853 2.324 ( -35.715 -0.000 0.000) 35.715 4.006 ( -40.506 -0.000 0.000) 40.506 4.142 ( -0.118 -0.000 0.000) 0.118 4.875 ( -13.284 -0.000 0.000) 13.284 4.885 ( -0.543 -0.000 0.000) 0.543 5.434 ( -14.212 -0.000 0.000) 14.212 5.449 ( -9.174 -0.000 0.000) 9.174 6.170 ( 9.529 0.000 -0.000) 9.529 6.887 ( 10.831 0.000 -0.000) 10.831 7.189 ( 3.907 0.000 -0.000) 3.907 7.260 ( -3.297 -0.000 0.000) 3.297 7.872 ( 4.831 0.000 -0.000) 4.831 8.903 ( 18.348 0.000 -0.000) 18.348 9.187 ( -1.025 -0.000 0.000) 1.025 9.270 ( 9.667 0.000 -0.000) 9.667 9.593 ( -4.286 -0.000 0.000) 4.286 12.314 ( 24.490 0.000 -0.000) 24.490 21.447 ( 2.580 0.000 -0.000) 2.580 21.485 ( 2.366 0.000 -0.000) 2.366 21.524 ( 1.503 0.000 -0.000) 1.503 21.571 ( 1.959 0.000 -0.000) 1.959 24.138 ( -0.770 -0.000 0.000) 0.770 24.174 ( -0.475 -0.000 0.000) 0.475 32.584 ( 0.413 0.000 -0.000) 0.413 32.664 ( 0.387 0.000 -0.000) 0.387 41.722 ( -8.056 -0.000 0.000) 8.056 42.717 ( -7.333 -0.000 0.000) 7.333 42.771 ( -12.493 -0.000 0.000) 12.493 44.732 ( 5.399 0.000 -0.000) 5.399 ======================= Grid point 42 (30/231) ======================= q-point: ( 0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( 0.000 24.284 20.500) 31.780 2.441 ( 0.000 31.703 16.089) 35.552 3.428 ( -0.000 27.210 4.975) 27.661 4.231 ( -0.000 20.568 -2.894) 20.771 4.769 ( -0.000 12.457 -1.275) 12.522 4.831 ( -0.000 2.500 -6.297) 6.775 5.334 ( 0.000 8.329 12.868) 15.328 5.610 ( 0.000 7.730 7.494) 10.766 6.145 ( 0.000 -11.205 -4.553) 12.094 6.731 ( -0.000 -11.810 -11.740) 16.652 7.093 ( -0.000 4.362 -7.301) 8.505 7.339 ( 0.000 0.603 0.558) 0.821 7.980 ( 0.000 -8.489 6.856) 10.912 9.014 ( -0.000 -3.549 -3.559) 5.026 9.204 ( 0.000 -2.724 4.960) 5.659 9.310 ( 0.000 -19.051 -3.794) 19.425 9.451 ( 0.000 -10.562 6.043) 12.169 12.816 ( 0.000 -4.363 -1.902) 4.759 21.461 ( 0.000 -2.978 1.244) 3.227 21.490 ( -0.000 -3.032 -1.487) 3.377 21.538 ( 0.000 -2.271 0.964) 2.468 21.573 ( -0.000 0.806 -2.359) 2.493 24.148 ( 0.000 -0.164 0.999) 1.012 24.174 ( 0.000 0.391 0.255) 0.467 32.589 ( 0.000 -0.749 0.078) 0.753 32.645 ( -0.000 -0.101 -1.148) 1.152 41.448 ( -0.000 3.341 -4.252) 5.407 42.359 ( -0.000 6.973 -10.444) 12.558 42.848 ( -0.000 12.665 5.315) 13.735 44.411 ( -0.000 13.578 -23.096) 26.791 ======================= Grid point 43 (31/231) ======================= q-point: ( 0.31 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.446 ( 4.891 22.416 19.943) 30.399 2.796 ( -1.302 31.962 14.272) 35.028 3.757 ( 12.699 10.069 0.407) 16.211 4.501 ( 5.540 27.312 3.169) 28.048 4.786 ( -4.383 3.876 -6.783) 8.958 4.877 ( 1.449 7.556 -1.773) 7.896 5.460 ( -1.608 10.421 7.608) 13.002 5.788 ( 6.492 6.922 8.775) 12.926 6.013 ( 0.519 -11.693 -3.958) 12.355 6.533 ( -2.061 -12.518 -13.016) 18.176 7.109 ( 0.690 5.173 -7.260) 8.941 7.327 ( -2.330 0.102 1.032) 2.551 7.933 ( 0.433 -9.296 6.200) 11.182 8.924 ( -10.293 -19.577 -1.620) 22.177 9.018 ( 3.859 -4.721 -1.014) 6.181 9.278 ( 4.271 -3.364 1.176) 5.563 9.500 ( 8.649 -5.728 6.395) 12.187 12.597 ( -20.218 -3.360 -0.571) 20.503 21.432 ( -0.912 -2.676 -0.273) 2.840 21.471 ( 1.876 -3.029 0.026) 3.563 21.508 ( -1.798 -1.464 0.225) 2.330 21.560 ( -0.900 -0.167 -1.415) 1.685 24.153 ( 0.131 0.027 0.679) 0.692 24.179 ( 0.032 0.384 0.189) 0.429 32.583 ( -0.038 -0.467 0.043) 0.471 32.638 ( -0.042 -0.048 -1.093) 1.095 41.546 ( 10.358 2.097 -3.099) 11.013 42.366 ( -0.364 6.753 -10.958) 12.877 43.047 ( 6.024 11.676 5.895) 14.400 44.383 ( -3.690 9.400 -18.211) 20.823 ======================= Grid point 44 (32/231) ======================= q-point: ( 0.38 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.843 ( 6.998 18.423 18.675) 27.151 3.183 ( 3.039 31.553 12.041) 33.909 4.003 ( 9.979 3.123 0.204) 10.458 4.666 ( -4.509 2.483 -5.377) 7.444 4.924 ( 3.121 9.709 -5.161) 11.430 4.974 ( 8.589 19.405 6.807) 22.286 5.559 ( -1.329 9.504 2.091) 9.822 5.873 ( 2.443 -11.828 -3.725) 12.639 6.033 ( 5.791 3.985 9.724) 11.999 6.300 ( -2.602 -12.930 -13.013) 18.528 7.122 ( -0.342 4.282 -8.012) 9.091 7.278 ( -3.651 -1.469 2.365) 4.592 7.888 ( 1.209 -8.977 5.507) 10.601 8.555 ( -10.908 -16.877 -0.653) 20.106 9.068 ( 4.798 0.211 -2.204) 5.285 9.329 ( 4.391 -0.466 -3.404) 5.575 9.667 ( 13.549 -8.027 12.413) 20.052 12.125 ( -32.951 -0.958 -0.562) 32.969 21.394 ( -0.615 -1.693 -0.516) 1.873 21.459 ( -2.463 -0.795 -0.206) 2.596 21.477 ( 1.820 -2.960 0.109) 3.477 21.527 ( -1.698 -1.044 -0.542) 2.066 24.160 ( 0.309 0.163 0.433) 0.556 24.184 ( -0.000 0.334 0.084) 0.344 32.581 ( 0.098 -0.047 0.018) 0.110 32.632 ( -0.110 0.052 -0.957) 0.965 41.770 ( 15.886 0.332 -0.572) 15.900 42.363 ( -0.396 6.000 -11.292) 12.794 43.309 ( 9.402 9.057 6.627) 14.640 44.283 ( -6.711 5.887 -14.642) 17.149 ======================= Grid point 45 (33/231) ======================= q-point: ( 0.46 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.200 ( 6.959 13.227 14.794) 21.030 3.579 ( 2.601 25.125 11.531) 27.767 4.147 ( 2.006 5.172 3.314) 6.462 4.634 ( -0.671 7.772 -6.371) 10.072 4.961 ( 2.302 2.734 -4.527) 5.768 5.372 ( 10.938 13.238 7.037) 18.558 5.606 ( -1.289 5.498 -3.510) 6.649 5.772 ( 2.286 -13.158 -5.189) 14.328 6.028 ( -2.770 -10.319 -7.766) 13.208 6.249 ( 5.836 -0.490 7.654) 9.637 7.080 ( -2.536 0.830 -8.912) 9.303 7.220 ( -2.387 -2.828 3.622) 5.178 7.862 ( 1.536 -6.463 3.927) 7.717 8.258 ( -9.374 -9.527 -0.554) 13.377 9.161 ( 4.605 5.666 -2.064) 7.588 9.362 ( 3.789 -1.591 -7.122) 8.223 9.919 ( 16.972 -8.080 16.714) 25.154 11.526 ( -38.465 1.072 -1.076) 38.495 21.379 ( 0.248 -0.492 -0.203) 0.587 21.415 ( -1.799 -0.293 -0.237) 1.838 21.472 ( 0.517 -2.469 -0.095) 2.525 21.481 ( -1.841 -1.710 -0.264) 2.526 24.170 ( 0.407 0.201 0.283) 0.535 24.186 ( -0.091 0.242 -0.019) 0.259 32.586 ( 0.356 0.349 0.049) 0.501 32.625 ( -0.290 0.140 -0.736) 0.804 42.045 ( 16.457 -0.394 1.517) 16.532 42.349 ( -0.228 4.098 -10.253) 11.044 43.583 ( 10.605 6.217 6.390) 13.854 44.131 ( -8.413 3.045 -11.623) 14.668 ======================= Grid point 46 (34/231) ======================= q-point: ( 0.54 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.429 ( 1.004 5.475 4.425) 7.111 3.783 ( -4.438 8.265 15.788) 18.365 4.297 ( 1.450 20.058 2.890) 20.317 4.649 ( -8.650 10.299 -0.963) 13.484 5.058 ( 10.833 0.963 -6.331) 12.584 5.555 ( -4.234 -2.325 2.320) 5.358 5.613 ( 1.275 -9.793 -8.797) 13.226 5.662 ( 7.392 3.243 -4.175) 9.088 5.922 ( 5.233 -8.956 -2.975) 10.791 6.362 ( 2.836 -1.210 10.413) 10.860 6.977 ( -2.881 -2.010 -9.341) 9.980 7.191 ( 0.482 -3.485 3.852) 5.217 7.860 ( 1.908 -2.628 1.775) 3.701 8.057 ( -7.480 -3.718 -0.169) 8.355 9.305 ( 4.928 10.049 -2.392) 11.445 9.349 ( 1.991 -2.793 -7.640) 8.375 10.239 ( 19.480 -6.585 17.366) 26.915 10.896 ( -38.118 1.585 -1.785) 38.192 21.382 ( -0.408 0.900 -0.102) 0.994 21.402 ( 1.010 -0.644 -0.058) 1.199 21.433 ( -1.972 -0.703 -0.014) 2.094 21.452 ( 0.052 -2.638 -0.235) 2.649 24.180 ( 0.367 0.168 0.196) 0.449 24.185 ( -0.224 0.125 -0.088) 0.271 32.599 ( 0.608 0.577 0.123) 0.847 32.617 ( -0.531 0.173 -0.472) 0.731 42.249 ( 2.839 2.963 -6.070) 7.327 42.378 ( 10.266 -1.573 0.954) 10.430 43.809 ( 4.371 4.299 -0.448) 6.147 43.975 ( -3.175 0.452 -3.294) 4.597 ======================= Grid point 47 (35/231) ======================= q-point: (-0.38 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.329 ( -13.101 -2.038 -2.554) 13.503 3.874 ( -1.841 4.056 14.321) 14.998 4.450 ( -14.097 11.655 -0.693) 18.304 4.601 ( -3.611 17.355 5.237) 18.485 5.194 ( 7.937 -1.246 -8.536) 11.723 5.349 ( -6.183 -11.443 -3.564) 13.486 5.593 ( 6.545 -3.908 -4.239) 8.723 5.773 ( 4.577 -0.282 -0.503) 4.613 5.954 ( 5.999 -4.393 -1.371) 7.561 6.432 ( 1.625 -2.697 10.074) 10.554 6.876 ( -0.684 -1.375 -8.274) 8.416 7.217 ( 3.934 -2.579 2.974) 5.565 7.887 ( -0.909 1.057 -0.566) 1.505 7.942 ( -1.054 -1.600 0.756) 2.060 9.304 ( -0.391 -1.572 -5.668) 5.895 9.473 ( 4.674 10.022 -2.205) 11.276 10.303 ( -33.065 0.243 -2.519) 33.162 10.611 ( 21.785 -4.078 14.338) 26.396 21.385 ( -0.561 0.818 -0.444) 1.087 21.400 ( -0.081 0.422 0.143) 0.453 21.423 ( -0.054 -1.499 -0.202) 1.513 21.438 ( 1.950 -1.087 0.416) 2.270 24.180 ( -0.378 0.024 -0.109) 0.394 24.186 ( 0.201 0.098 0.130) 0.258 32.606 ( -0.687 0.152 -0.239) 0.743 32.617 ( 0.722 0.558 0.189) 0.932 42.202 ( -3.835 1.356 -7.108) 8.189 42.584 ( 11.298 -1.526 5.510) 12.663 43.685 ( -10.993 0.459 -8.560) 13.940 44.120 ( 10.660 1.225 5.530) 12.072 ======================= Grid point 48 (36/231) ======================= q-point: (-0.31 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.020 ( -19.053 -2.322 -2.207) 19.321 3.844 ( -15.201 1.181 5.726) 16.287 4.237 ( -12.179 2.795 0.291) 12.500 4.765 ( -3.141 16.659 4.857) 17.635 5.091 ( -5.347 -10.913 -7.115) 14.082 5.249 ( 2.262 -3.844 -0.973) 4.565 5.657 ( 4.454 -1.689 -1.825) 5.101 5.832 ( 4.614 -1.454 -0.163) 4.840 5.970 ( -1.432 -0.913 -0.704) 1.839 6.472 ( 2.664 -3.065 3.935) 5.655 6.881 ( 5.164 1.168 -3.002) 6.086 7.286 ( 4.415 -1.093 1.442) 4.772 7.812 ( -4.493 -0.267 -0.781) 4.568 8.036 ( 8.914 1.359 0.303) 9.022 9.258 ( -1.485 -0.025 -2.247) 2.693 9.602 ( 0.420 7.904 -0.633) 7.940 9.804 ( -22.979 -3.026 -3.235) 23.402 11.025 ( 24.313 -1.185 8.123) 25.662 21.381 ( -0.165 0.736 -0.178) 0.775 21.406 ( 0.352 -1.090 0.115) 1.151 21.430 ( 1.423 1.970 -0.131) 2.434 21.466 ( 2.491 -1.831 0.256) 3.102 24.172 ( -0.529 -0.027 -0.079) 0.536 24.189 ( -0.035 0.033 0.062) 0.078 32.595 ( -0.684 0.088 -0.070) 0.693 32.635 ( 0.716 0.324 0.156) 0.801 42.098 ( -5.780 -0.079 -3.855) 6.948 42.751 ( 6.574 -0.495 4.773) 8.139 43.448 ( -12.715 -0.675 -5.789) 13.987 44.327 ( 10.271 0.705 3.371) 10.833 ======================= Grid point 49 (37/231) ======================= q-point: (-0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.662 ( -21.930 -0.000 0.000) 21.930 3.453 ( -30.988 -0.000 0.000) 30.988 4.157 ( -1.713 -0.000 0.000) 1.713 4.802 ( -11.226 -0.000 0.000) 11.226 4.899 ( -1.501 -0.000 0.000) 1.501 5.222 ( -4.202 -0.000 0.000) 4.202 5.667 ( -1.773 -0.000 0.000) 1.773 5.866 ( -10.208 -0.000 0.000) 10.208 5.905 ( 5.607 0.000 -0.000) 5.607 6.546 ( 7.716 0.000 -0.000) 7.716 6.998 ( 7.594 0.000 -0.000) 7.594 7.333 ( 0.910 0.000 -0.000) 0.910 7.762 ( -0.374 -0.000 0.000) 0.374 8.245 ( 15.432 0.000 -0.000) 15.432 9.233 ( -1.446 -0.000 0.000) 1.446 9.421 ( -16.252 -0.000 0.000) 16.252 9.673 ( 0.285 0.000 -0.000) 0.285 11.460 ( 26.127 0.000 -0.000) 26.127 21.389 ( 0.770 0.000 -0.000) 0.770 21.417 ( 1.484 0.000 -0.000) 1.484 21.474 ( 1.530 0.000 -0.000) 1.530 21.491 ( 2.695 0.000 -0.000) 2.695 24.162 ( -0.655 -0.000 0.000) 0.655 24.187 ( -0.260 -0.000 0.000) 0.260 32.585 ( -0.454 -0.000 0.000) 0.454 32.648 ( 0.619 0.000 -0.000) 0.619 41.979 ( -7.144 -0.000 0.000) 7.144 42.830 ( 1.383 0.000 -0.000) 1.383 43.208 ( -13.586 -0.000 0.000) 13.586 44.498 ( 8.872 0.000 -0.000) 8.872 ======================= Grid point 56 (38/231) ======================= q-point: ( 0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.723 ( 0.000 21.617 19.785) 29.305 3.177 ( 0.000 29.003 14.040) 32.223 3.752 ( -0.000 9.754 -0.433) 9.764 4.701 ( -0.000 18.107 3.395) 18.423 4.847 ( -0.000 12.003 -7.788) 14.308 4.915 ( -0.000 4.375 -1.894) 4.768 5.620 ( 0.000 7.639 9.407) 12.118 5.835 ( 0.000 8.166 4.509) 9.328 5.871 ( 0.000 -11.303 -3.916) 11.963 6.368 ( -0.000 -11.549 -13.096) 17.461 7.126 ( -0.000 6.224 -6.065) 8.690 7.349 ( 0.000 -0.553 0.658) 0.860 7.872 ( 0.000 -9.185 4.713) 10.324 8.795 ( 0.000 -24.985 -0.051) 24.985 8.911 ( 0.000 -6.779 -0.832) 6.830 9.226 ( 0.000 -0.933 5.760) 5.835 9.435 ( 0.000 0.609 0.751) 0.967 12.735 ( 0.000 -3.835 1.651) 4.175 21.417 ( -0.000 -2.935 -1.314) 3.216 21.423 ( 0.000 -2.408 1.349) 2.760 21.508 ( 0.000 -1.875 0.885) 2.074 21.561 ( -0.000 0.348 -2.170) 2.198 24.155 ( 0.000 0.043 0.520) 0.522 24.184 ( -0.000 0.383 0.166) 0.417 32.579 ( 0.000 -0.374 0.036) 0.376 32.632 ( -0.000 -0.059 -0.973) 0.975 41.460 ( -0.000 2.669 -4.365) 5.117 42.376 ( -0.000 5.815 -9.785) 11.382 43.140 ( -0.000 11.885 5.124) 12.942 44.408 ( -0.000 6.848 -14.773) 16.283 ======================= Grid point 57 (39/231) ======================= q-point: ( 0.38 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.039 ( 2.617 18.394 18.120) 25.952 3.515 ( 0.582 28.419 12.711) 31.138 3.896 ( 7.388 6.538 -0.215) 9.868 4.727 ( -4.994 0.233 -2.282) 5.496 4.957 ( 1.318 5.156 -4.771) 7.148 5.061 ( 6.220 21.261 1.357) 22.194 5.679 ( 1.353 -5.193 2.110) 5.766 5.735 ( -5.264 -0.413 -2.690) 5.926 5.999 ( 8.060 1.780 3.161) 8.839 6.187 ( -4.039 -6.177 -8.758) 11.453 7.148 ( -1.089 5.640 -5.654) 8.060 7.320 ( -2.505 -2.164 0.992) 3.456 7.813 ( 0.952 -8.692 4.079) 9.649 8.519 ( -5.550 -19.792 1.084) 20.584 8.908 ( 6.694 -4.684 -2.675) 8.597 9.294 ( 3.415 1.731 2.386) 4.512 9.485 ( 5.826 -2.624 4.858) 8.026 12.555 ( -18.823 -2.065 2.106) 19.052 21.380 ( -0.343 -2.220 -0.704) 2.354 21.423 ( 1.425 -2.285 0.730) 2.790 21.484 ( -1.448 -1.336 0.462) 2.024 21.542 ( -1.177 -0.077 -1.484) 1.896 24.159 ( 0.182 0.103 0.349) 0.407 24.188 ( -0.022 0.340 0.101) 0.355 32.578 ( 0.149 -0.135 0.014) 0.201 32.628 ( 0.035 -0.002 -0.816) 0.817 41.547 ( 9.970 1.517 -3.225) 10.588 42.373 ( -0.676 4.958 -9.051) 10.342 43.313 ( 4.775 9.857 5.127) 12.093 44.357 ( -4.177 4.281 -11.824) 13.251 ======================= Grid point 58 (40/231) ======================= q-point: ( 0.46 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.323 ( 2.921 13.031 14.026) 19.366 3.866 ( 1.048 25.757 12.701) 28.737 4.108 ( 10.290 6.377 2.443) 12.350 4.644 ( -1.653 1.541 -4.225) 4.791 4.988 ( -0.850 5.593 -4.987) 7.541 5.365 ( 8.804 11.247 2.759) 14.547 5.558 ( -0.254 -11.108 -8.119) 13.761 5.699 ( -1.398 -0.677 0.596) 1.664 5.968 ( -5.242 -6.571 -7.423) 11.214 6.197 ( 4.860 3.158 6.538) 8.737 7.116 ( -4.419 2.578 -6.045) 7.920 7.246 ( -3.087 -4.032 1.807) 5.390 7.791 ( 2.390 -5.870 3.158) 7.081 8.284 ( -5.505 -10.776 0.324) 12.105 8.996 ( 10.245 -3.753 -3.396) 11.427 9.356 ( -0.259 6.339 -3.548) 7.269 9.649 ( 14.568 -7.326 11.571) 19.995 12.132 ( -31.865 0.411 1.733) 31.914 21.361 ( 0.491 -1.229 -0.371) 1.374 21.427 ( 1.051 -2.089 0.266) 2.353 21.446 ( -1.874 -0.778 0.117) 2.032 21.507 ( -2.040 -0.401 -0.718) 2.200 24.167 ( 0.350 0.135 0.219) 0.435 24.190 ( -0.095 0.254 0.026) 0.273 32.582 ( 0.399 0.129 0.011) 0.419 32.625 ( 0.002 0.082 -0.614) 0.619 41.764 ( 16.199 0.123 -1.199) 16.244 42.354 ( -1.274 3.834 -8.137) 9.085 43.523 ( 7.695 6.802 5.075) 11.456 44.236 ( -7.404 2.231 -9.124) 11.960 ======================= Grid point 59 (41/231) ======================= q-point: ( 0.54 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.502 ( 0.389 6.197 6.524) 9.007 4.065 ( -8.149 11.215 15.239) 20.601 4.400 ( 11.053 14.205 4.254) 18.494 4.715 ( 7.422 7.990 -6.678) 12.788 4.983 ( -2.757 3.848 -2.748) 5.473 5.394 ( 3.042 -11.356 -12.540) 17.189 5.592 ( 6.027 -0.517 8.454) 10.395 5.671 ( -2.241 0.442 -1.616) 2.798 5.769 ( -5.393 -4.863 -6.887) 10.008 6.331 ( 5.241 0.017 6.223) 8.136 6.997 ( -6.225 -1.023 -5.627) 8.453 7.179 ( -1.500 -3.704 1.669) 4.331 7.807 ( 2.765 -2.543 1.706) 4.126 8.129 ( -5.396 -4.010 0.034) 6.724 9.119 ( 10.421 -3.583 -3.740) 11.637 9.391 ( -0.402 7.686 -3.944) 8.648 9.926 ( 19.363 -6.513 11.562) 23.474 11.561 ( -38.766 1.723 0.911) 38.815 21.368 ( 1.306 -0.457 -0.079) 1.386 21.410 ( -1.294 -0.175 -0.073) 1.308 21.424 ( 0.306 -1.817 0.055) 1.844 21.464 ( -2.284 -0.312 -0.299) 2.324 24.175 ( 0.421 0.117 0.133) 0.456 24.190 ( -0.202 0.145 -0.027) 0.249 32.593 ( 0.662 0.288 0.039) 0.724 32.622 ( -0.194 0.119 -0.381) 0.444 42.048 ( 17.935 -0.306 0.601) 17.947 42.318 ( -1.850 2.030 -6.336) 6.906 43.739 ( 9.007 4.271 4.161) 10.802 44.069 ( -9.225 0.393 -6.390) 11.229 ======================= Grid point 60 (42/231) ======================= q-point: ( 0.62 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.493 ( -7.768 0.574 0.306) 7.796 4.052 ( -7.923 3.980 10.120) 13.454 4.725 ( 4.771 16.307 3.791) 17.408 4.813 ( -7.137 6.459 -0.079) 9.627 4.983 ( 8.209 -1.602 -5.790) 10.173 5.294 ( 0.346 -9.861 -6.385) 11.753 5.509 ( -6.331 -2.079 -0.338) 6.672 5.718 ( 5.424 -2.346 6.361) 8.683 5.760 ( 8.083 -1.197 -7.259) 10.930 6.426 ( 2.820 -0.839 4.945) 5.754 6.867 ( -4.220 -1.161 -4.309) 6.142 7.156 ( 1.599 -2.104 1.152) 2.883 7.850 ( 3.435 -0.206 0.543) 3.484 8.015 ( -6.062 -0.995 -0.005) 6.143 9.207 ( 5.823 -2.596 -2.931) 7.017 9.466 ( 3.474 5.799 -1.920) 7.028 10.269 ( 21.795 -3.359 7.163) 23.187 10.924 ( -39.935 1.225 0.092) 39.953 21.388 ( 1.110 -0.256 -0.046) 1.140 21.398 ( -0.100 0.417 -0.144) 0.452 21.412 ( 0.179 -1.064 0.135) 1.088 21.428 ( -1.585 -0.202 -0.072) 1.600 24.183 ( 0.357 0.061 0.066) 0.368 24.186 ( -0.320 0.047 -0.037) 0.325 32.608 ( 0.781 0.241 0.045) 0.819 32.616 ( -0.435 0.088 -0.151) 0.468 42.248 ( -2.598 1.820 -3.031) 4.388 42.353 ( 15.925 -1.516 0.826) 16.018 43.846 ( -9.830 2.033 -2.761) 10.411 43.975 ( 9.049 -0.416 1.634) 9.204 ======================= Grid point 61 (43/231) ======================= q-point: (-0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.293 ( -15.477 -0.000 0.000) 15.477 4.001 ( -4.470 -0.000 0.000) 4.470 4.554 ( -20.240 -0.000 0.000) 20.240 4.938 ( 2.267 0.000 -0.000) 2.267 5.090 ( -10.411 -0.000 0.000) 10.411 5.122 ( 9.390 0.000 -0.000) 9.390 5.541 ( 7.228 0.000 -0.000) 7.228 5.769 ( 2.388 0.000 -0.000) 2.388 5.899 ( 8.413 0.000 -0.000) 8.413 6.455 ( 0.187 0.000 -0.000) 0.187 6.820 ( 0.890 0.000 -0.000) 0.890 7.204 ( 4.628 0.000 -0.000) 4.628 7.905 ( -6.459 -0.000 0.000) 6.459 7.924 ( 5.496 0.000 -0.000) 5.496 9.245 ( 1.592 0.000 -0.000) 1.592 9.568 ( 5.210 0.000 -0.000) 5.210 10.300 ( -35.713 -0.000 0.000) 35.713 10.645 ( 23.313 0.000 -0.000) 23.313 21.389 ( -0.336 -0.000 0.000) 0.336 21.401 ( -0.379 -0.000 0.000) 0.379 21.419 ( 1.067 0.000 -0.000) 1.067 21.424 ( 1.481 0.000 -0.000) 1.481 24.180 ( -0.433 -0.000 0.000) 0.433 24.188 ( 0.183 0.000 -0.000) 0.183 32.606 ( -0.664 -0.000 0.000) 0.664 32.624 ( 0.805 0.000 -0.000) 0.805 42.178 ( -4.875 -0.000 0.000) 4.875 42.596 ( 12.758 0.000 -0.000) 12.758 43.645 ( -12.784 -0.000 0.000) 12.784 44.160 ( 11.189 0.000 -0.000) 11.189 ======================= Grid point 70 (44/231) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.273 ( 0.000 15.779 15.766) 22.306 3.814 ( 0.000 23.461 11.410) 26.088 3.897 ( -0.000 6.610 -0.414) 6.623 4.810 ( 0.000 2.429 2.110) 3.218 4.901 ( -0.000 -1.826 -4.536) 4.890 5.206 ( -0.000 19.794 -3.677) 20.133 5.557 ( 0.000 -11.098 -2.275) 11.329 5.812 ( -0.000 -10.640 -11.206) 15.453 5.892 ( 0.000 5.499 5.768) 7.969 6.220 ( -0.000 6.335 0.620) 6.365 7.190 ( -0.000 5.339 -3.749) 6.524 7.327 ( 0.000 -2.089 0.565) 2.164 7.735 ( 0.000 -8.865 2.822) 9.303 8.387 ( 0.000 -17.414 1.903) 17.518 8.794 ( 0.000 -4.334 -1.826) 4.703 9.278 ( 0.000 0.298 4.657) 4.667 9.463 ( -0.000 1.372 0.560) 1.482 12.702 ( 0.000 -2.132 2.468) 3.261 21.356 ( 0.000 -2.133 -0.868) 2.303 21.399 ( 0.000 -1.488 1.059) 1.826 21.487 ( 0.000 -1.165 0.617) 1.319 21.544 ( -0.000 0.024 -1.556) 1.556 24.160 ( 0.000 0.081 0.244) 0.257 24.192 ( -0.000 0.297 0.080) 0.308 32.575 ( 0.000 -0.086 0.008) 0.086 32.623 ( -0.000 -0.021 -0.635) 0.635 41.460 ( -0.000 1.596 -3.306) 3.671 42.379 ( -0.000 3.660 -6.912) 7.821 43.388 ( 0.000 8.739 4.092) 9.649 44.369 ( -0.000 2.398 -9.225) 9.532 ======================= Grid point 71 (45/231) ======================= q-point: ( 0.46 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.478 ( 0.452 10.598 11.190) 15.419 4.011 ( 7.271 4.929 0.319) 8.790 4.112 ( 4.222 20.885 10.185) 23.616 4.722 ( -7.693 0.030 1.758) 7.892 4.963 ( 5.069 0.392 -3.413) 6.124 5.343 ( 0.109 6.532 -8.773) 10.938 5.469 ( 2.061 -2.672 1.265) 3.604 5.627 ( -0.147 -11.692 -8.568) 14.496 5.980 ( 0.918 2.131 2.695) 3.556 6.262 ( -3.426 6.126 2.465) 7.439 7.192 ( -3.122 3.530 -3.183) 5.687 7.272 ( -3.973 -3.419 0.900) 5.318 7.701 ( 3.197 -5.878 1.951) 6.970 8.245 ( -1.695 -9.945 1.066) 10.145 8.805 ( 6.394 -3.223 -1.751) 7.371 9.363 ( 5.712 2.926 1.179) 6.525 9.486 ( 2.453 -1.938 3.355) 4.585 12.552 ( -17.386 -0.765 1.909) 17.507 21.339 ( 0.421 -1.316 -0.485) 1.464 21.398 ( 0.700 -1.145 0.600) 1.471 21.468 ( -1.388 -0.714 0.308) 1.591 21.527 ( -1.144 -0.103 -0.915) 1.468 24.164 ( 0.209 0.076 0.145) 0.266 24.194 ( -0.064 0.209 0.038) 0.222 32.577 ( 0.273 0.019 0.001) 0.274 32.621 ( 0.107 0.015 -0.429) 0.442 41.540 ( 9.653 0.733 -2.019) 9.889 42.370 ( -0.902 2.538 -5.107) 5.773 43.511 ( 3.903 5.933 3.360) 7.856 44.309 ( -4.205 1.052 -6.464) 7.783 ======================= Grid point 72 (46/231) ======================= q-point: ( 0.54 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.589 ( -0.773 4.348 4.762) 6.495 4.235 ( 13.737 3.658 2.525) 14.438 4.405 ( -2.315 15.511 11.146) 19.240 4.641 ( 1.561 0.205 -2.985) 3.375 4.993 ( 3.845 -3.143 -4.954) 7.015 5.275 ( -3.354 3.051 -8.278) 9.439 5.473 ( 2.274 -12.503 2.568) 12.965 5.612 ( 5.879 3.453 -2.682) 7.326 5.940 ( -9.800 1.377 0.734) 9.923 6.286 ( 1.974 1.277 2.127) 3.170 7.097 ( -8.389 0.381 -2.243) 8.692 7.189 ( -2.414 -2.448 0.722) 3.513 7.736 ( 4.057 -2.005 0.934) 4.620 8.156 ( -2.221 -3.291 0.253) 3.978 8.910 ( 9.731 -1.809 -1.441) 10.002 9.443 ( -0.726 5.022 -2.878) 5.833 9.624 ( 15.672 -4.600 6.079) 17.428 12.157 ( -30.606 0.345 0.927) 30.622 21.342 ( 1.155 -0.464 -0.149) 1.254 21.402 ( 0.582 -0.739 0.152) 0.953 21.436 ( -1.802 -0.289 0.087) 1.827 21.497 ( -1.996 -0.109 -0.322) 2.025 24.170 ( 0.373 0.052 0.066) 0.382 24.194 ( -0.153 0.098 0.003) 0.182 32.584 ( 0.571 0.078 0.004) 0.576 32.622 ( 0.080 0.039 -0.210) 0.227 41.755 ( 16.273 0.013 -0.548) 16.282 42.344 ( -1.847 1.302 -2.972) 3.734 43.657 ( 6.907 2.731 2.181) 7.740 44.190 ( -7.696 0.239 -3.444) 8.435 ======================= Grid point 73 (47/231) ======================= q-point: (-0.38 -0.62 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.588 ( -3.160 -0.000 0.000) 3.160 4.296 ( -14.395 -0.000 0.000) 14.395 4.546 ( 18.533 0.000 -0.000) 18.533 4.803 ( 10.419 0.000 -0.000) 10.419 5.016 ( -1.457 -0.000 0.000) 1.457 5.187 ( -2.339 -0.000 0.000) 2.339 5.523 ( 10.369 0.000 -0.000) 10.369 5.687 ( -2.708 -0.000 0.000) 2.708 5.732 ( -10.049 -0.000 0.000) 10.049 6.365 ( 5.154 0.000 -0.000) 5.154 6.952 ( -7.741 -0.000 0.000) 7.741 7.147 ( -1.279 -0.000 0.000) 1.279 7.793 ( 3.542 0.000 -0.000) 3.542 8.094 ( -4.065 -0.000 0.000) 4.065 9.059 ( 9.419 0.000 -0.000) 9.419 9.454 ( 0.611 0.000 -0.000) 0.611 9.921 ( 20.247 0.000 -0.000) 20.247 11.585 ( -38.477 -0.000 0.000) 38.477 21.363 ( 1.527 0.000 -0.000) 1.527 21.405 ( 0.186 0.000 -0.000) 0.186 21.410 ( -1.148 -0.000 0.000) 1.148 21.460 ( -2.212 -0.000 0.000) 2.212 24.177 ( 0.426 0.000 -0.000) 0.426 24.191 ( -0.244 -0.000 0.000) 0.244 32.596 ( 0.778 0.000 -0.000) 0.778 32.621 ( -0.152 -0.000 0.000) 0.152 42.048 ( 18.749 0.000 -0.000) 18.749 42.303 ( -2.842 -0.000 0.000) 2.842 43.810 ( 9.331 0.000 -0.000) 9.331 44.032 ( -10.292 -0.000 0.000) 10.292 ======================= Grid point 85 (48/231) ======================= q-point: ( 0.46 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.603 ( 0.000 5.879 6.263) 8.590 3.984 ( -0.000 2.574 -0.450) 2.613 4.262 ( 0.000 11.900 6.190) 13.414 4.789 ( -0.000 -3.632 -4.047) 5.438 4.943 ( 0.000 4.678 8.891) 10.047 5.371 ( 0.000 -5.298 -1.062) 5.403 5.379 ( -0.000 3.565 -18.918) 19.251 5.504 ( 0.000 -6.104 4.005) 7.301 6.002 ( 0.000 1.525 2.198) 2.675 6.367 ( -0.000 4.543 1.260) 4.715 7.224 ( -0.000 0.715 -0.975) 1.209 7.310 ( -0.000 0.186 0.056) 0.194 7.621 ( 0.000 -4.272 0.899) 4.366 8.184 ( 0.000 -5.563 0.748) 5.613 8.721 ( 0.000 -1.738 -0.683) 1.867 9.320 ( 0.000 0.298 1.785) 1.810 9.488 ( -0.000 0.666 0.249) 0.711 12.696 ( 0.000 -0.621 1.107) 1.269 21.322 ( 0.000 -0.783 -0.301) 0.839 21.388 ( 0.000 -0.492 0.403) 0.636 21.477 ( 0.000 -0.388 0.220) 0.447 21.532 ( -0.000 -0.034 -0.568) 0.569 24.163 ( 0.000 0.036 0.070) 0.079 24.196 ( -0.000 0.115 0.022) 0.118 32.575 ( -0.000 0.004 -0.000) 0.004 32.619 ( -0.000 -0.003 -0.219) 0.219 41.456 ( -0.000 0.513 -1.236) 1.339 42.375 ( -0.000 1.223 -2.489) 2.774 43.538 ( 0.000 3.358 1.737) 3.781 44.324 ( -0.000 0.312 -3.399) 3.413 ======================= Grid point 86 (49/231) ======================= q-point: (-0.46 -0.54 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.640 ( -0.837 -0.000 0.000) 0.837 4.061 ( 8.124 0.000 -0.000) 8.124 4.420 ( 9.098 0.000 -0.000) 9.098 4.737 ( -5.271 -0.000 0.000) 5.271 4.918 ( -4.379 -0.000 0.000) 4.379 5.331 ( 2.161 0.000 -0.000) 2.161 5.376 ( -0.695 -0.000 0.000) 0.695 5.525 ( 4.580 0.000 -0.000) 4.580 6.022 ( -0.013 -0.000 0.000) 0.013 6.341 ( -5.125 -0.000 0.000) 5.125 7.211 ( -1.502 -0.000 0.000) 1.502 7.236 ( -7.737 -0.000 0.000) 7.737 7.652 ( 4.734 0.000 -0.000) 4.734 8.158 ( -0.379 -0.000 0.000) 0.379 8.763 ( 6.137 0.000 -0.000) 6.137 9.404 ( 9.220 0.000 -0.000) 9.220 9.482 ( -1.163 -0.000 0.000) 1.163 12.556 ( -16.823 -0.000 0.000) 16.823 21.323 ( 0.683 0.000 -0.000) 0.683 21.391 ( 0.445 0.000 -0.000) 0.445 21.463 ( -1.382 -0.000 0.000) 1.382 21.521 ( -1.109 -0.000 0.000) 1.109 24.165 ( 0.219 0.000 -0.000) 0.219 24.196 ( -0.080 -0.000 0.000) 0.080 32.577 ( 0.317 0.000 -0.000) 0.317 32.619 ( 0.136 0.000 -0.000) 0.136 41.536 ( 9.538 0.000 -0.000) 9.538 42.367 ( -0.983 -0.000 0.000) 0.983 43.589 ( 3.629 0.000 -0.000) 3.629 44.282 ( -4.221 -0.000 0.000) 4.221 ======================= Grid point 187 (50/231) ======================= q-point: ( 0.08 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.473 ( 0.000 -0.000 30.284) 30.284 0.473 ( 0.000 -0.000 30.284) 30.284 0.850 ( 0.000 -0.000 54.401) 54.401 4.092 ( -0.000 0.000 -5.237) 5.237 4.092 ( -0.000 0.000 -5.237) 5.237 4.871 ( 0.000 -0.000 6.583) 6.583 4.871 ( 0.000 -0.000 6.583) 6.583 5.567 ( 0.000 -0.000 1.948) 1.948 6.525 ( -0.000 0.000 -2.441) 2.441 7.124 ( -0.000 0.000 -6.510) 6.510 7.290 ( -0.000 0.000 -3.816) 3.816 7.290 ( -0.000 0.000 -3.816) 3.816 9.183 ( 0.000 0.000 0.710) 0.710 9.183 ( -0.000 -0.000 0.710) 0.710 9.418 ( 0.000 0.000 -0.217) 0.217 9.418 ( -0.000 -0.000 -0.217) 0.217 10.351 ( 0.000 -0.000 2.431) 2.431 11.772 ( -0.000 0.000 -2.825) 2.825 21.565 ( 0.000 0.000 0.020) 0.020 21.565 ( 0.000 -0.000 0.020) 0.020 21.600 ( 0.000 0.000 -0.101) 0.101 21.600 ( 0.000 -0.000 -0.101) 0.101 24.156 ( 0.000 -0.000 0.299) 0.299 24.295 ( -0.000 0.000 -0.155) 0.155 32.626 ( 0.000 -0.000 0.123) 0.123 32.673 ( -0.000 0.000 -0.119) 0.119 41.404 ( 0.000 0.000 1.713) 1.713 41.404 ( 0.000 -0.000 1.713) 1.713 42.279 ( 0.000 0.000 -1.609) 1.609 42.279 ( -0.000 -0.000 -1.609) 1.609 ======================= Grid point 188 (51/231) ======================= q-point: ( 0.15 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( 18.738 10.818 16.285) 27.080 1.020 ( 16.566 9.565 31.366) 36.739 1.717 ( 46.408 26.793 30.781) 61.798 4.122 ( 6.955 4.015 -7.975) 11.317 4.135 ( 4.471 2.581 -4.461) 6.823 4.846 ( -2.576 -1.487 4.308) 5.236 4.975 ( 2.955 1.706 7.810) 8.523 5.405 ( -4.719 -2.724 14.516) 15.505 6.479 ( -2.750 -1.588 -3.065) 4.413 7.088 ( 0.208 0.120 -8.244) 8.248 7.203 ( -3.287 -1.898 -7.378) 8.297 7.284 ( -0.907 -0.524 -2.010) 2.267 8.449 ( -21.331 -12.315 28.131) 37.391 9.214 ( 0.589 0.340 2.228) 2.330 9.241 ( -3.840 -2.217 0.168) 4.437 9.455 ( 1.882 1.086 0.839) 2.329 10.247 ( -10.163 -5.868 4.181) 12.458 12.554 ( 15.173 8.760 -35.499) 39.587 21.537 ( -2.179 -1.258 -0.296) 2.533 21.575 ( -1.582 -0.914 -0.638) 1.935 21.578 ( 0.923 0.533 0.077) 1.068 21.624 ( 0.654 0.377 -0.729) 1.049 24.159 ( 0.141 0.081 0.359) 0.394 24.183 ( -3.936 -2.272 4.125) 6.138 32.620 ( -0.588 -0.339 0.135) 0.692 32.663 ( -0.345 -0.199 -0.712) 0.816 41.506 ( 5.601 3.234 5.028) 8.193 42.228 ( 0.046 0.027 -5.976) 5.977 42.411 ( 8.967 5.177 1.797) 10.509 43.306 ( 75.919 43.832 -83.635) 121.160 ======================= Grid point 189 (52/231) ======================= q-point: ( 0.23 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( 26.389 15.235 7.637) 31.413 1.560 ( 18.419 10.634 28.297) 35.398 2.897 ( 47.281 27.298 19.857) 58.094 4.222 ( 4.423 2.553 -1.874) 5.440 4.275 ( 9.406 5.431 -8.071) 13.532 4.806 ( -1.511 -0.872 -0.564) 1.833 5.079 ( 4.446 2.567 2.995) 5.944 5.521 ( 6.114 3.530 16.104) 17.583 6.382 ( -4.363 -2.519 -2.814) 5.771 7.021 ( -3.417 -1.973 -10.770) 11.470 7.104 ( -0.074 -0.043 -9.003) 9.003 7.241 ( -2.429 -1.403 0.464) 2.843 8.326 ( -5.399 -3.117 16.826) 17.944 9.140 ( -5.073 -2.929 -0.520) 5.880 9.202 ( -3.857 -2.227 1.136) 4.596 9.484 ( -0.383 -0.221 1.208) 1.286 10.024 ( -10.803 -6.237 10.113) 16.059 12.381 ( -11.134 -6.428 -25.823) 28.846 21.475 ( -3.073 -1.774 -0.503) 3.584 21.527 ( -2.287 -1.321 -0.873) 2.782 21.591 ( -0.369 -0.213 0.533) 0.682 21.629 ( 0.516 0.298 -0.680) 0.904 24.153 ( -0.885 -0.511 2.021) 2.265 24.165 ( 0.223 0.129 0.321) 0.412 32.604 ( -0.854 -0.493 0.090) 0.991 32.652 ( -0.211 -0.122 -1.180) 1.204 41.694 ( 8.265 4.772 8.124) 12.533 42.216 ( 2.436 1.406 -9.687) 10.087 42.677 ( 13.248 7.649 5.147) 16.140 43.940 ( 24.414 14.095 -50.900) 58.185 ======================= Grid point 190 (53/231) ======================= q-point: ( 0.31 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( 27.642 15.959 4.212) 32.195 2.111 ( 18.839 10.876 25.716) 33.682 3.947 ( 38.849 22.430 14.990) 47.297 4.299 ( 3.563 2.057 -0.034) 4.114 4.368 ( 0.141 0.081 -3.622) 3.626 4.820 ( 6.158 3.555 -8.991) 11.464 5.216 ( 7.677 4.432 -1.629) 9.013 5.778 ( 8.412 4.857 17.461) 19.981 6.274 ( -4.082 -2.357 -1.738) 5.024 6.841 ( -6.349 -3.666 -13.567) 15.421 7.095 ( 2.724 1.573 -9.397) 9.909 7.192 ( -2.702 -1.560 3.217) 4.482 8.297 ( -4.887 -2.822 12.361) 13.589 8.981 ( -15.790 -9.116 -2.803) 18.447 9.026 ( -4.700 -2.714 -0.694) 5.471 9.464 ( -1.977 -1.141 4.488) 5.035 9.971 ( -0.678 -0.392 16.791) 16.810 11.905 ( -19.040 -10.993 -24.503) 32.921 21.406 ( -2.813 -1.624 -0.476) 3.283 21.473 ( -2.057 -1.188 -0.850) 2.523 21.565 ( -2.112 -1.220 0.752) 2.553 21.636 ( 0.175 0.101 -0.845) 0.869 24.153 ( 0.025 0.015 1.062) 1.062 24.172 ( 0.239 0.138 0.198) 0.339 32.587 ( -0.679 -0.392 0.039) 0.786 32.640 ( -0.254 -0.147 -1.275) 1.309 41.940 ( 9.343 5.394 10.883) 15.324 42.229 ( 3.900 2.251 -12.625) 13.404 43.025 ( 14.847 8.572 8.111) 18.966 44.063 ( 9.125 5.268 -34.915) 36.470 ======================= Grid point 191 (54/231) ======================= q-point: ( 0.38 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.546 ( 25.732 14.857 2.391) 29.809 2.646 ( 18.015 10.401 24.007) 31.766 4.251 ( -8.110 -4.682 -2.684) 9.741 4.287 ( -1.438 -0.830 3.483) 3.859 4.820 ( 30.656 17.699 8.811) 36.478 4.965 ( 10.783 6.226 -11.437) 16.907 5.387 ( 8.844 5.106 -4.165) 11.029 6.038 ( 6.535 3.773 16.865) 18.476 6.191 ( -2.769 -1.599 -2.122) 3.837 6.619 ( -7.110 -4.105 -13.695) 15.968 7.109 ( 2.924 1.688 -10.276) 10.816 7.165 ( -1.630 -0.941 5.951) 6.241 8.226 ( -6.724 -3.882 9.249) 12.076 8.568 ( -18.709 -10.802 -2.406) 21.737 8.941 ( -2.400 -1.386 -0.891) 2.911 9.434 ( -3.655 -2.110 5.166) 6.670 10.122 ( 4.765 2.751 21.292) 21.992 11.337 ( -20.186 -11.654 -24.853) 34.073 21.353 ( -1.734 -1.001 -0.306) 2.025 21.436 ( -0.810 -0.468 -0.601) 1.112 21.512 ( -2.915 -1.683 0.706) 3.439 21.621 ( -1.151 -0.665 -0.987) 1.656 24.162 ( 0.342 0.197 0.630) 0.744 24.177 ( 0.183 0.106 0.038) 0.214 32.577 ( -0.202 -0.116 0.049) 0.238 32.627 ( -0.376 -0.217 -1.133) 1.213 42.202 ( 8.555 4.939 13.182) 16.473 42.248 ( 4.129 2.384 -14.594) 15.353 43.394 ( 14.103 8.142 10.339) 19.289 44.025 ( 2.726 1.574 -27.584) 27.763 ======================= Grid point 192 (55/231) ======================= q-point: ( 0.46 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.070 ( 20.329 11.737 1.091) 23.499 3.141 ( 15.828 9.138 22.713) 29.154 4.024 ( -10.131 -5.849 -4.272) 12.453 4.223 ( -5.788 -3.342 2.704) 7.210 5.152 ( 10.891 6.288 -8.942) 15.431 5.413 ( 18.397 10.621 8.338) 22.821 5.542 ( 8.253 4.765 -7.571) 12.172 6.104 ( -3.513 -2.028 -8.270) 9.212 6.227 ( 3.231 1.865 15.984) 16.414 6.407 ( -6.736 -3.889 -7.640) 10.902 7.106 ( 1.577 0.911 -11.131) 11.279 7.190 ( 0.724 0.418 7.688) 7.733 8.112 ( -6.773 -3.911 6.396) 10.103 8.189 ( -14.044 -8.108 -2.178) 16.362 8.919 ( 1.138 0.657 -1.680) 2.133 9.347 ( -6.421 -3.707 4.348) 8.595 10.385 ( 7.971 4.602 25.239) 26.865 10.793 ( -17.249 -9.959 -24.168) 31.318 21.329 ( -0.308 -0.178 -0.243) 0.431 21.436 ( 0.963 0.556 -0.154) 1.123 21.449 ( -3.051 -1.762 0.568) 3.569 21.578 ( -2.243 -1.295 -0.944) 2.756 24.173 ( 0.368 0.213 0.426) 0.602 24.180 ( 0.056 0.032 -0.110) 0.127 32.579 ( 0.339 0.196 0.151) 0.419 32.612 ( -0.504 -0.291 -0.849) 1.029 42.251 ( 3.108 1.794 -15.542) 15.951 42.439 ( 6.114 3.530 14.877) 16.467 43.739 ( 11.998 6.927 11.683) 18.122 43.910 ( -0.885 -0.511 -23.788) 23.810 ======================= Grid point 193 (56/231) ======================= q-point: ( 0.54 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.345 ( 0.605 0.349 -2.682) 2.771 3.549 ( 9.452 5.457 20.897) 23.575 3.858 ( 1.071 0.618 -3.068) 3.308 4.073 ( -8.003 -4.620 2.955) 9.702 5.329 ( 8.077 4.663 -7.445) 11.934 5.565 ( -1.371 -0.792 1.184) 1.977 5.799 ( 12.785 7.381 -4.107) 15.323 5.952 ( -3.912 -2.258 -14.157) 14.860 6.238 ( -7.697 -4.444 0.114) 8.889 6.382 ( 4.058 2.343 16.455) 17.110 7.052 ( -1.156 -0.667 -11.879) 11.953 7.264 ( 1.924 1.111 7.366) 7.693 7.949 ( -6.260 -3.614 -3.638) 8.093 8.021 ( -3.366 -1.943 3.884) 5.495 8.971 ( 4.557 2.631 -3.231) 6.175 9.210 ( -7.566 -4.368 3.716) 9.494 10.345 ( -12.704 -7.335 -21.534) 26.056 10.727 ( 10.628 6.136 27.716) 30.312 21.336 ( 1.110 0.641 -0.403) 1.344 21.389 ( -2.470 -1.426 0.460) 2.889 21.475 ( 2.409 1.391 0.289) 2.796 21.520 ( -2.495 -1.441 -0.606) 2.944 24.178 ( -0.128 -0.074 -0.218) 0.263 24.181 ( 0.224 0.129 0.315) 0.408 32.593 ( 0.744 0.429 0.315) 0.915 32.597 ( -0.551 -0.318 -0.524) 0.824 42.218 ( 1.056 0.610 -15.521) 15.569 42.616 ( 2.653 1.532 15.823) 16.117 43.744 ( -3.604 -2.081 -21.372) 21.773 44.038 ( 9.511 5.491 12.244) 16.447 ======================= Grid point 194 (57/231) ======================= q-point: (-0.38 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.098 ( -16.258 -9.387 -6.233) 19.781 3.582 ( -14.939 -8.625 10.196) 20.038 4.000 ( 8.204 4.736 -1.996) 9.681 4.085 ( 6.595 3.808 12.262) 14.434 5.357 ( -2.482 -1.433 -10.424) 10.811 5.489 ( -5.298 -3.059 2.791) 6.724 5.838 ( -0.690 -0.398 -10.125) 10.156 5.986 ( 6.820 3.938 -5.698) 9.720 6.045 ( -10.614 -6.128 2.343) 12.478 6.586 ( 6.756 3.901 15.764) 17.589 6.941 ( -2.363 -1.364 -13.028) 13.311 7.329 ( 0.480 0.277 5.748) 5.775 7.870 ( 0.751 0.434 -5.574) 5.641 8.034 ( 3.901 2.252 1.925) 4.898 9.071 ( 6.049 3.493 -5.246) 8.736 9.074 ( -6.045 -3.490 3.450) 7.787 10.012 ( -8.531 -4.925 -17.463) 20.049 11.136 ( 13.391 7.731 28.267) 32.220 21.350 ( -1.251 -0.722 0.476) 1.521 21.371 ( 2.232 1.289 -0.703) 2.672 21.470 ( -1.753 -1.012 -0.041) 2.024 21.537 ( 2.882 1.664 0.436) 3.356 24.172 ( -0.335 -0.193 -0.281) 0.478 24.185 ( 0.000 0.000 0.230) 0.230 32.584 ( -0.444 -0.256 -0.241) 0.567 32.613 ( 0.912 0.527 0.465) 1.151 42.134 ( -1.583 -0.914 -14.639) 14.753 42.716 ( -1.029 -0.594 15.907) 15.951 43.532 ( -6.056 -3.497 -19.297) 20.525 44.285 ( 7.285 4.206 12.213) 14.830 ======================= Grid point 195 (58/231) ======================= q-point: (-0.31 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.660 ( -20.179 -11.651 -5.883) 24.032 3.180 ( -24.009 -13.861 7.321) 28.673 4.108 ( 2.821 1.629 -5.202) 6.138 4.314 ( 6.572 3.794 13.585) 15.560 5.122 ( -13.942 -8.050 -8.693) 18.296 5.392 ( -5.869 -3.388 6.639) 9.487 5.747 ( -4.579 -2.644 -8.808) 10.274 5.796 ( -12.888 -7.441 1.805) 14.991 6.060 ( 3.649 2.107 -6.283) 7.565 6.824 ( 7.348 4.242 13.863) 16.254 6.861 ( 2.056 1.187 -12.678) 12.899 7.336 ( -1.941 -1.121 3.708) 4.333 7.898 ( 4.069 2.349 -6.854) 8.310 8.236 ( 13.891 8.020 1.207) 16.086 8.996 ( -2.469 -1.425 3.351) 4.399 9.163 ( 5.021 2.899 -7.257) 9.288 9.784 ( -5.113 -2.952 -13.063) 14.336 11.603 ( 16.014 9.246 26.610) 32.404 21.343 ( 0.336 0.194 0.631) 0.741 21.423 ( 2.840 1.640 -1.024) 3.436 21.448 ( -0.317 -0.183 0.556) 0.666 21.597 ( 2.274 1.313 0.159) 2.631 24.161 ( -0.520 -0.300 -0.300) 0.671 24.184 ( -0.219 -0.126 0.145) 0.291 32.576 ( -0.159 -0.092 -0.054) 0.192 32.636 ( 0.845 0.488 0.510) 1.101 41.998 ( -4.141 -2.391 -13.021) 13.871 42.738 ( -4.246 -2.451 15.052) 15.831 43.280 ( -8.249 -4.763 -17.046) 19.527 44.487 ( 5.616 3.243 11.641) 13.326 ======================= Grid point 196 (59/231) ======================= q-point: (-0.23 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.167 ( -22.263 -12.854 -3.639) 25.964 2.638 ( -28.442 -16.421 7.662) 33.724 4.045 ( -6.507 -3.757 -10.937) 13.270 4.495 ( 3.672 2.120 11.990) 12.718 4.671 ( -23.302 -13.454 -0.740) 26.917 5.270 ( -9.455 -5.459 8.111) 13.601 5.490 ( -10.571 -6.103 -14.185) 18.714 5.577 ( -9.636 -5.563 3.131) 11.559 6.125 ( 5.668 3.272 -4.905) 8.179 6.901 ( 6.396 3.693 -9.997) 12.429 7.031 ( 5.362 3.096 10.957) 12.586 7.295 ( -2.769 -1.599 2.021) 3.783 7.952 ( 3.748 2.164 -7.393) 8.567 8.640 ( 21.056 12.157 2.622) 24.455 9.002 ( 1.394 0.805 3.217) 3.598 9.214 ( 3.695 2.133 -8.338) 9.366 9.645 ( -2.404 -1.388 -9.732) 10.120 12.102 ( 17.434 10.065 22.708) 30.346 21.371 ( 1.849 1.068 0.830) 2.291 21.462 ( 1.184 0.684 0.984) 1.684 21.481 ( 2.875 1.660 -1.243) 3.545 21.632 ( 0.977 0.564 -0.450) 1.214 24.146 ( -0.636 -0.367 -0.268) 0.782 24.178 ( -0.366 -0.211 0.072) 0.429 32.577 ( 0.247 0.143 0.030) 0.287 32.654 ( 0.622 0.359 0.386) 0.815 41.824 ( -5.841 -3.372 -10.793) 12.727 42.692 ( -6.513 -3.760 13.220) 15.210 42.999 ( -9.765 -5.638 -14.416) 18.302 44.654 ( 4.485 2.589 10.065) 11.319 ======================= Grid point 197 (60/231) ======================= q-point: (-0.15 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( -23.772 -13.725 0.635) 27.457 2.029 ( -30.687 -17.717 9.259) 36.624 3.535 ( -35.823 -20.682 -10.410) 42.655 4.289 ( -9.314 -5.377 -0.519) 10.767 4.582 ( -1.634 -0.944 9.578) 9.763 5.068 ( -11.276 -6.510 6.487) 14.548 5.204 ( -8.283 -4.782 -14.749) 17.579 5.390 ( -8.970 -5.179 4.851) 11.438 6.258 ( 7.568 4.370 -2.395) 9.061 7.013 ( 7.480 4.318 -7.301) 11.309 7.161 ( 2.071 1.195 5.224) 5.745 7.259 ( -0.832 -0.481 2.635) 2.804 7.975 ( 1.674 0.966 -6.467) 6.750 9.062 ( 10.225 5.903 1.645) 11.921 9.079 ( 3.794 2.191 2.892) 5.250 9.321 ( 12.765 7.370 -3.061) 15.054 9.577 ( 1.669 0.963 -9.087) 9.289 12.581 ( 16.411 9.475 16.478) 25.112 21.428 ( 2.778 1.604 0.909) 3.334 21.505 ( 2.083 1.202 1.125) 2.655 21.533 ( 2.392 1.381 -1.234) 3.025 21.635 ( -0.255 -0.147 -1.164) 1.201 24.131 ( -0.643 -0.371 -0.104) 0.750 24.169 ( -0.403 -0.232 0.042) 0.467 32.587 ( 0.630 0.364 0.042) 0.729 32.666 ( 0.356 0.205 0.082) 0.419 41.642 ( -6.061 -3.499 -8.077) 10.687 42.597 ( -7.501 -4.331 10.438) 13.564 42.713 ( -9.873 -5.700 -11.427) 16.141 44.784 ( 3.484 2.012 5.374) 6.713 ======================= Grid point 198 (61/231) ======================= q-point: (-0.08 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( -24.496 -14.143 8.237) 29.461 1.406 ( -30.856 -17.815 12.670) 37.815 2.515 ( -51.219 -29.571 -3.452) 59.243 4.158 ( -2.866 -1.655 -4.630) 5.691 4.479 ( -10.741 -6.201 4.132) 13.072 4.918 ( -4.876 -2.815 6.997) 8.981 4.986 ( -5.241 -3.026 -11.357) 12.868 5.248 ( -6.547 -3.780 8.022) 11.023 6.404 ( 6.170 3.562 -1.355) 7.252 7.141 ( 6.828 3.942 -5.147) 9.415 7.174 ( -0.452 -0.261 -1.356) 1.453 7.294 ( 1.261 0.728 3.541) 3.829 7.972 ( 0.625 0.361 -1.225) 1.421 9.141 ( 1.569 0.906 -2.486) 3.076 9.182 ( 3.944 2.277 2.276) 5.091 9.447 ( -0.835 -0.482 -1.853) 2.089 9.839 ( 20.138 11.626 -1.216) 23.285 12.959 ( 11.653 6.728 5.829) 14.665 21.495 ( 2.742 1.583 0.755) 3.254 21.557 ( 1.971 1.138 0.953) 2.468 21.568 ( 1.074 0.620 -0.873) 1.517 21.618 ( -0.210 -0.121 -1.826) 1.841 24.120 ( -0.426 -0.246 0.618) 0.790 24.162 ( -0.326 -0.188 0.081) 0.385 32.603 ( 0.787 0.455 0.043) 0.910 32.671 ( 0.145 0.083 -0.342) 0.380 41.488 ( -4.575 -2.642 -4.997) 7.272 42.463 ( -7.811 -4.510 -8.224) 12.206 42.480 ( -7.071 -4.083 6.839) 10.651 44.829 ( 0.094 0.054 -11.757) 11.757 ======================= Grid point 201 (62/231) ======================= q-point: ( 0.15 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( 0.000 25.035 20.532) 32.378 1.185 ( 0.000 26.880 24.657) 36.476 1.787 ( 0.000 37.233 39.099) 53.991 3.990 ( -0.000 -0.448 -8.845) 8.857 4.180 ( -0.000 13.285 -6.401) 14.747 4.870 ( 0.000 -3.901 4.727) 6.129 5.047 ( 0.000 4.637 12.983) 13.786 5.464 ( 0.000 -6.004 11.211) 12.717 6.457 ( -0.000 -3.676 -4.029) 5.454 7.042 ( -0.000 0.859 -10.046) 10.083 7.146 ( -0.000 -6.374 -8.468) 10.599 7.290 ( -0.000 2.210 -3.665) 4.280 8.526 ( 0.000 -36.096 26.913) 45.024 9.145 ( 0.000 -2.687 -0.578) 2.748 9.291 ( 0.000 -2.025 2.193) 2.985 9.390 ( -0.000 -0.673 -1.868) 1.986 10.256 ( 0.000 -13.520 4.506) 14.251 12.558 ( -0.000 35.783 -30.180) 46.811 21.554 ( 0.000 -1.551 0.454) 1.616 21.556 ( -0.000 -0.104 -0.692) 0.700 21.588 ( -0.000 -1.071 -1.431) 1.788 21.601 ( 0.000 -0.659 0.362) 0.752 24.162 ( 0.000 0.152 0.448) 0.473 24.202 ( 0.000 -4.785 3.331) 5.830 32.621 ( 0.000 -0.672 0.167) 0.692 32.659 ( -0.000 -0.589 -0.608) 0.846 41.387 ( 0.000 -0.359 0.041) 0.361 42.218 ( -0.000 1.057 -5.954) 6.047 42.390 ( -0.000 9.485 0.217) 9.488 43.050 ( -0.000 92.327 -60.561) 110.417 ======================= Grid point 202 (63/231) ======================= q-point: ( 0.23 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( 3.089 29.564 14.756) 33.186 1.630 ( 8.089 20.091 28.535) 35.824 2.653 ( 32.400 36.869 25.996) 55.542 4.005 ( 6.974 -0.204 -8.484) 10.984 4.328 ( 3.367 17.047 -6.635) 18.600 4.833 ( -2.295 -3.351 2.230) 4.633 5.133 ( -2.551 4.333 10.864) 11.971 5.536 ( 5.048 2.009 13.132) 14.211 6.376 ( -1.703 -5.262 -4.267) 6.985 6.980 ( -2.288 -3.385 -11.361) 12.074 7.035 ( 0.978 -2.424 -10.388) 10.712 7.278 ( -1.879 1.877 -2.451) 3.614 8.362 ( -0.847 -17.796 18.488) 25.675 9.148 ( 1.358 -4.202 -0.561) 4.451 9.242 ( -3.375 -1.910 2.064) 4.393 9.423 ( 4.572 -2.493 -2.151) 5.635 10.086 ( -4.347 -16.957 8.012) 19.251 12.528 ( -16.095 13.660 -22.493) 30.847 21.518 ( -3.309 -0.488 -0.818) 3.444 21.539 ( -1.156 -1.814 -0.520) 2.213 21.571 ( 1.568 -1.468 -0.098) 2.150 21.608 ( 0.799 -1.325 -0.133) 1.553 24.166 ( 0.085 0.189 0.435) 0.482 24.172 ( -1.009 -1.841 2.279) 3.099 32.610 ( -0.496 -0.792 0.134) 0.944 32.648 ( -0.234 -0.277 -1.018) 1.081 41.531 ( 14.271 -2.123 2.503) 14.644 42.189 ( -0.991 3.639 -8.469) 9.271 42.581 ( 9.754 10.169 2.539) 14.318 43.612 ( 13.987 46.403 -48.530) 68.586 ======================= Grid point 203 (64/231) ======================= q-point: ( 0.31 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( 13.483 27.850 9.822) 32.464 2.121 ( 12.211 16.751 27.964) 34.809 3.659 ( 35.760 28.876 17.272) 49.101 4.107 ( 9.487 -0.432 -5.102) 10.780 4.486 ( -1.137 13.826 -3.473) 14.301 4.771 ( -1.099 -0.016 -4.153) 4.296 5.197 ( 0.676 6.085 4.240) 7.447 5.770 ( 8.846 4.597 15.885) 18.754 6.270 ( -1.895 -5.930 -3.551) 7.167 6.797 ( -4.036 -7.937 -13.423) 16.108 7.019 ( 2.316 2.481 -11.004) 11.516 7.246 ( -2.749 1.401 -0.104) 3.087 8.309 ( 0.892 -13.461 13.347) 18.977 9.080 ( -4.130 -2.440 -1.049) 4.910 9.104 ( -10.925 -8.211 -0.973) 13.701 9.451 ( 3.982 -3.289 -0.837) 5.232 9.986 ( 2.966 -11.057 15.342) 19.142 12.127 ( -27.018 3.334 -19.424) 33.442 21.448 ( -3.648 -0.700 -0.703) 3.781 21.490 ( -2.075 -1.516 -0.764) 2.681 21.576 ( -0.142 -1.743 0.503) 1.820 21.605 ( 1.415 -1.904 -0.634) 2.456 24.160 ( -0.304 -0.490 1.308) 1.430 24.172 ( 0.116 0.204 0.316) 0.394 32.594 ( -0.644 -0.600 0.069) 0.883 32.637 ( -0.233 -0.082 -1.242) 1.267 41.790 ( 16.167 -1.828 5.915) 17.312 42.176 ( 0.313 5.363 -10.847) 12.104 42.900 ( 14.282 9.844 5.182) 18.103 43.870 ( 5.781 22.718 -35.663) 42.678 ======================= Grid point 204 (65/231) ======================= q-point: ( 0.38 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.394 ( 17.540 24.506 6.805) 30.895 2.629 ( 13.979 14.734 26.067) 33.045 4.182 ( 6.388 -5.414 -0.680) 8.401 4.434 ( -3.941 6.946 3.734) 8.816 4.579 ( 23.806 21.449 7.870) 32.995 4.814 ( 6.530 6.733 -10.592) 14.148 5.319 ( 4.530 7.682 -0.638) 8.941 6.039 ( 8.126 3.513 16.132) 18.402 6.172 ( -1.089 -5.774 -3.764) 6.978 6.576 ( -4.134 -8.647 -13.490) 16.548 7.029 ( 2.437 3.115 -11.621) 12.275 7.220 ( -2.309 0.866 2.615) 3.594 8.248 ( -0.640 -13.009 9.992) 16.416 8.739 ( -17.028 -12.682 -2.817) 21.418 8.994 ( -4.365 0.371 -0.442) 4.403 9.481 ( 1.436 -1.344 0.767) 2.111 10.110 ( 8.888 -5.336 20.559) 23.024 11.556 ( -30.076 -1.394 -19.119) 35.666 21.385 ( -2.923 -0.221 -0.414) 2.960 21.443 ( -1.391 -1.114 -0.620) 1.887 21.540 ( -2.085 -1.922 0.535) 2.886 21.603 ( 0.901 -2.410 -0.903) 2.726 24.162 ( 0.167 0.006 0.756) 0.775 24.177 ( 0.093 0.188 0.142) 0.253 32.581 ( -0.401 -0.193 0.047) 0.447 32.626 ( -0.301 0.004 -1.192) 1.229 42.063 ( 13.497 -1.158 4.222) 14.189 42.196 ( 3.198 5.769 -8.097) 10.444 43.268 ( 15.533 8.256 7.079) 18.962 43.913 ( 0.120 12.484 -27.493) 30.194 ======================= Grid point 205 (66/231) ======================= q-point: ( 0.46 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.922 ( 16.519 19.276 5.327) 25.939 3.123 ( 13.924 13.267 23.830) 30.623 4.111 ( -7.673 -5.801 0.630) 9.640 4.354 ( -7.280 3.852 0.616) 8.259 4.969 ( 11.136 5.875 -10.206) 16.208 5.220 ( 22.085 15.408 5.164) 27.420 5.463 ( 5.170 5.933 -1.735) 8.059 6.061 ( -2.106 -6.302 -9.866) 11.895 6.243 ( 4.752 -1.109 13.308) 14.174 6.394 ( -1.762 -6.030 -5.191) 8.149 7.028 ( 1.729 2.065 -12.278) 12.570 7.222 ( -0.317 0.383 4.970) 4.995 8.146 ( -2.564 -11.634 6.829) 13.732 8.339 ( -15.484 -10.310 -2.155) 18.727 8.953 ( -2.478 4.002 -1.100) 4.834 9.461 ( -3.712 0.040 0.709) 3.780 10.363 ( 11.826 -2.966 24.800) 27.636 10.953 ( -27.148 -3.705 -19.000) 33.343 21.346 ( -1.722 0.458 -0.198) 1.793 21.424 ( 0.345 -0.401 -0.257) 0.589 21.483 ( -2.811 -1.875 0.419) 3.405 21.576 ( -0.500 -2.726 -0.968) 2.936 24.171 ( 0.344 0.163 0.476) 0.609 24.180 ( 0.011 0.136 -0.027) 0.139 32.579 ( 0.057 0.258 0.111) 0.287 32.614 ( -0.441 0.032 -0.955) 1.053 42.155 ( 2.598 3.708 -13.118) 13.877 42.387 ( 11.504 0.382 10.451) 15.547 43.619 ( 14.072 5.372 5.473) 16.026 43.855 ( -2.582 7.835 -20.098) 21.725 ======================= Grid point 206 (67/231) ======================= q-point: ( 0.54 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.305 ( 7.854 8.427 3.354) 11.998 3.565 ( 10.568 9.725 22.454) 26.654 3.921 ( -7.853 0.868 -1.366) 8.018 4.246 ( -11.157 3.000 2.235) 11.767 5.167 ( 11.708 4.632 -8.443) 15.160 5.545 ( 3.267 2.698 -6.162) 7.478 5.646 ( 12.490 6.398 4.260) 14.666 5.883 ( -2.422 -6.437 -15.906) 17.329 6.248 ( -0.377 -8.243 1.408) 8.371 6.424 ( 2.490 0.639 13.916) 14.152 6.989 ( 0.122 -0.287 -12.578) 12.582 7.268 ( 2.058 -0.147 5.781) 6.138 8.004 ( -6.877 -7.716 -0.814) 10.368 8.067 ( -5.747 -5.740 2.341) 8.453 8.980 ( -0.140 8.114 -2.749) 8.568 9.370 ( -8.426 1.314 1.280) 8.623 10.422 ( -19.920 -5.128 -17.806) 27.206 10.691 ( 13.958 -1.776 27.365) 30.770 21.336 ( -0.301 1.063 -0.265) 1.136 21.422 ( -2.737 -1.435 0.330) 3.108 21.445 ( 2.155 0.264 0.191) 2.179 21.529 ( -1.375 -2.646 -0.751) 3.075 24.179 ( -0.106 0.049 -0.136) 0.179 24.180 ( 0.272 0.155 0.316) 0.445 32.589 ( 0.496 0.600 0.236) 0.813 32.602 ( -0.575 0.037 -0.637) 0.858 42.143 ( 0.577 3.351 -14.200) 14.602 42.612 ( 8.416 -0.994 12.858) 15.399 43.686 ( -3.368 2.322 -20.196) 20.606 43.974 ( 10.722 5.370 8.780) 14.862 ======================= Grid point 207 (68/231) ======================= q-point: (-0.38 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.249 ( -13.324 -6.934 -1.047) 15.056 3.789 ( -4.660 -1.082 16.389) 17.073 3.973 ( 0.348 10.277 -0.980) 10.329 4.151 ( -1.512 8.292 8.176) 11.743 5.291 ( 3.738 0.676 -10.217) 10.901 5.513 ( -2.104 -4.579 -1.569) 5.278 5.759 ( 1.946 -1.849 -11.800) 12.101 5.859 ( 8.462 2.544 -3.121) 9.371 6.139 ( -5.513 -7.003 2.347) 9.216 6.569 ( 5.910 -0.780 13.990) 15.207 6.897 ( -1.751 -1.365 -12.183) 12.383 7.332 ( 2.392 -0.781 4.732) 5.359 7.851 ( -3.235 -1.980 -4.144) 5.618 8.009 ( 1.001 -1.898 2.408) 3.225 9.061 ( 1.067 10.596 -5.128) 11.820 9.240 ( -10.424 3.120 2.567) 11.180 10.023 ( -11.767 -5.917 -15.216) 20.124 11.070 ( 16.371 -1.083 27.765) 32.251 21.352 ( 0.933 1.308 -0.560) 1.701 21.375 ( -1.828 -0.307 0.400) 1.896 21.478 ( -0.987 -2.069 -0.342) 2.318 21.497 ( 2.947 0.321 0.451) 2.998 24.175 ( -0.308 -0.058 -0.223) 0.384 24.186 ( 0.098 0.071 0.246) 0.274 32.590 ( -0.596 0.045 -0.340) 0.688 32.608 ( 0.758 0.751 0.353) 1.124 42.089 ( -1.594 2.002 -13.478) 13.718 42.769 ( 3.868 -1.842 13.421) 14.088 43.512 ( -6.521 0.305 -18.655) 19.764 44.234 ( 9.846 3.220 9.076) 13.773 ======================= Grid point 208 (69/231) ======================= q-point: (-0.31 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.874 ( -19.960 -9.422 -1.240) 22.106 3.531 ( -24.403 -5.973 8.523) 26.529 4.066 ( 2.286 4.286 -1.870) 5.205 4.364 ( 4.056 9.585 12.608) 16.349 5.181 ( -6.638 -4.545 -10.825) 13.487 5.429 ( -1.792 -6.438 2.853) 7.266 5.732 ( -0.785 -0.550 -8.104) 8.161 5.956 ( -2.680 -3.187 -1.583) 4.455 5.960 ( -2.622 -2.952 -0.331) 3.962 6.686 ( 5.596 -5.365 -1.852) 7.970 6.870 ( 3.407 5.076 1.549) 6.307 7.365 ( -0.067 -1.113 2.754) 2.971 7.809 ( 2.067 -0.704 -5.076) 5.525 8.109 ( 9.282 4.042 1.438) 10.225 9.098 ( -5.462 3.391 0.449) 6.445 9.177 ( -2.878 11.452 -4.295) 12.565 9.761 ( -5.405 -5.229 -11.411) 13.667 11.494 ( 19.062 -0.507 25.631) 31.946 21.353 ( -0.512 0.529 0.397) 0.837 21.395 ( 1.916 1.937 -0.718) 2.818 21.449 ( -0.313 -1.243 0.273) 1.311 21.555 ( 3.289 -0.229 0.189) 3.302 24.166 ( -0.498 -0.151 -0.230) 0.569 24.187 ( -0.147 -0.034 0.169) 0.226 32.581 ( -0.439 0.096 -0.118) 0.464 32.630 ( 0.799 0.686 0.356) 1.112 41.989 ( -4.025 0.603 -11.847) 12.526 42.843 ( -0.804 -2.261 12.841) 13.064 43.291 ( -8.513 -1.590 -16.284) 18.444 44.451 ( 8.142 1.991 7.810) 11.457 ======================= Grid point 209 (70/231) ======================= q-point: (-0.23 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.430 ( -22.755 -9.321 1.046) 24.613 3.045 ( -30.262 -9.079 7.561) 32.487 4.072 ( -2.922 2.199 -6.793) 7.715 4.539 ( 0.179 3.552 12.421) 12.920 4.905 ( -14.963 -6.297 -4.106) 16.745 5.321 ( -5.145 -10.446 1.875) 11.795 5.590 ( -9.860 0.122 -9.088) 13.410 5.731 ( -12.034 -5.130 5.885) 14.344 6.014 ( 6.165 0.619 -5.871) 8.536 6.728 ( 8.643 -1.024 -8.680) 12.292 7.038 ( 5.511 4.175 8.064) 10.622 7.337 ( -2.700 -1.250 0.800) 3.081 7.836 ( 5.045 -1.399 -5.035) 7.264 8.412 ( 19.056 8.357 1.772) 20.884 9.060 ( -3.436 3.860 3.664) 6.335 9.209 ( -1.669 8.159 -8.192) 11.682 9.619 ( -2.204 -1.957 -7.753) 8.294 11.946 ( 21.300 -0.341 20.855) 29.812 21.369 ( 0.832 1.767 0.684) 2.069 21.443 ( 2.054 1.188 -0.671) 2.465 21.453 ( 1.475 0.430 0.384) 1.584 21.596 ( 2.493 -1.314 -0.415) 2.849 24.153 ( -0.653 -0.198 -0.162) 0.702 24.183 ( -0.353 -0.113 0.103) 0.385 32.577 ( -0.090 0.174 0.002) 0.196 32.649 ( 0.658 0.474 0.184) 0.831 41.850 ( -6.128 -0.152 -9.505) 11.310 42.835 ( -4.833 -2.235 10.791) 12.033 43.038 ( -10.153 -2.914 -13.172) 16.884 44.621 ( 6.640 1.067 5.236) 8.523 ======================= Grid point 210 (71/231) ======================= q-point: (-0.15 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.971 ( -24.739 -8.158 5.515) 26.627 2.463 ( -32.853 -11.438 7.685) 35.626 3.889 ( -20.980 1.608 -9.697) 23.168 4.378 ( -15.049 -14.687 5.752) 21.800 4.743 ( -5.850 7.285 7.243) 11.822 5.080 ( -6.720 -13.104 -5.874) 15.855 5.368 ( -13.612 1.804 -4.549) 14.464 5.537 ( -10.497 -3.897 6.783) 13.091 6.135 ( 9.134 2.705 -3.433) 10.126 6.852 ( 10.227 1.814 -7.287) 12.688 7.174 ( 2.592 2.145 4.845) 5.899 7.280 ( -2.140 -1.385 0.199) 2.557 7.883 ( 4.841 -1.388 -3.298) 6.020 8.860 ( 21.633 5.978 2.839) 22.623 9.108 ( 0.725 6.352 4.002) 7.543 9.218 ( 3.404 4.858 -6.982) 9.162 9.547 ( -2.366 0.949 -5.685) 6.230 12.385 ( 21.702 -1.620 13.337) 25.524 21.417 ( 1.926 2.556 0.785) 3.295 21.481 ( 2.200 0.451 0.677) 2.346 21.500 ( 2.399 1.465 -0.847) 2.936 21.606 ( 1.390 -2.202 -1.090) 2.822 24.140 ( -0.711 -0.174 0.045) 0.734 24.175 ( -0.455 -0.137 0.074) 0.481 32.582 ( 0.369 0.229 0.039) 0.436 32.662 ( 0.433 0.225 -0.163) 0.515 41.696 ( -7.287 0.383 -6.531) 9.792 42.743 ( -7.276 -3.834 -5.524) 9.908 42.789 ( -11.401 -1.242 3.540) 12.002 44.737 ( 4.936 -0.207 -0.414) 4.958 ======================= Grid point 211 (72/231) ======================= q-point: (-0.08 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( -26.079 -5.480 12.326) 29.361 1.844 ( -33.148 -12.685 8.317) 36.454 3.228 ( -50.677 -2.799 0.117) 50.754 4.155 ( -3.481 -4.440 -1.573) 5.857 4.668 ( -12.640 -1.209 1.890) 12.837 4.892 ( -0.808 -5.970 -2.712) 6.607 5.146 ( -12.587 2.558 -2.117) 13.017 5.388 ( -8.734 -2.166 9.252) 12.906 6.299 ( 8.657 2.420 -1.943) 9.197 7.005 ( 9.377 2.688 -6.017) 11.461 7.188 ( -1.871 0.831 -2.810) 3.477 7.279 ( 1.946 -1.901 2.675) 3.815 7.944 ( 3.671 1.467 1.966) 4.415 9.103 ( 6.090 0.235 0.776) 6.144 9.157 ( 0.622 2.292 -0.699) 2.476 9.489 ( -3.433 2.283 -3.163) 5.196 9.545 ( 23.775 8.299 2.150) 25.273 12.733 ( 18.631 -5.874 2.044) 19.642 21.482 ( 2.429 2.248 0.500) 3.347 21.527 ( 2.326 -0.007 0.536) 2.387 21.541 ( 1.806 0.499 -0.827) 2.048 21.598 ( 0.845 -1.065 -1.235) 1.836 24.129 ( -0.524 -0.057 0.619) 0.813 24.167 ( -0.430 -0.097 0.113) 0.455 32.593 ( 0.766 0.184 0.046) 0.789 32.666 ( 0.221 0.043 -0.606) 0.646 41.564 ( -7.115 2.736 -2.905) 8.158 42.509 ( -8.333 -3.863 -10.485) 13.938 42.655 ( -10.909 0.596 8.241) 13.685 44.743 ( 0.368 -2.815 -14.365) 14.643 ======================= Grid point 215 (73/231) ======================= q-point: ( 0.23 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( 0.000 25.371 19.934) 32.265 1.954 ( 0.000 28.962 20.565) 35.520 2.865 ( 0.000 36.601 26.599) 45.245 3.941 ( -0.000 7.220 -9.533) 11.958 4.427 ( -0.000 18.916 -7.323) 20.284 4.831 ( 0.000 -3.701 2.379) 4.399 5.294 ( 0.000 5.026 15.981) 16.753 5.552 ( 0.000 2.597 9.287) 9.643 6.302 ( -0.000 -7.577 -5.136) 9.154 6.879 ( -0.000 -10.099 -12.150) 15.799 6.967 ( -0.000 3.565 -11.494) 12.034 7.301 ( -0.000 2.672 -3.180) 4.154 8.274 ( 0.000 -17.910 16.365) 24.261 9.070 ( -0.000 -3.841 -1.793) 4.239 9.279 ( 0.000 -2.376 3.787) 4.471 9.351 ( -0.000 -0.573 -3.890) 3.932 9.953 ( 0.000 -24.121 7.862) 25.370 12.719 ( -0.000 11.541 -17.225) 20.734 21.522 ( 0.000 -2.551 0.970) 2.730 21.536 ( -0.000 -2.570 -1.345) 2.900 21.548 ( -0.000 0.467 -1.763) 1.824 21.582 ( 0.000 -1.733 0.639) 1.847 24.170 ( 0.000 0.223 0.454) 0.506 24.172 ( 0.000 -1.769 1.854) 2.563 32.606 ( 0.000 -0.964 0.134) 0.974 32.642 ( -0.000 -0.309 -1.019) 1.065 41.388 ( -0.000 1.103 -1.367) 1.756 42.197 ( -0.000 4.524 -8.307) 9.459 42.619 ( -0.000 13.084 1.905) 13.222 43.749 ( -0.000 42.700 -37.130) 56.586 ======================= Grid point 216 (74/231) ======================= q-point: ( 0.31 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( 2.566 28.012 16.114) 32.418 2.335 ( 2.150 25.155 23.414) 34.432 3.499 ( 22.554 22.335 15.546) 35.344 4.040 ( 4.515 16.817 -4.257) 17.926 4.595 ( 2.280 17.027 -6.675) 18.430 4.781 ( -2.915 -2.860 -0.258) 4.092 5.348 ( -5.905 6.298 10.837) 13.856 5.734 ( 9.242 4.401 12.080) 15.833 6.192 ( -0.225 -8.969 -4.890) 10.217 6.690 ( -2.309 -10.904 -13.743) 17.695 6.963 ( 1.354 4.924 -11.239) 12.345 7.297 ( -1.627 2.582 -2.186) 3.754 8.209 ( 1.524 -15.174 12.841) 19.937 9.054 ( 2.259 -4.437 -2.645) 5.638 9.201 ( -8.608 -6.072 2.724) 10.880 9.327 ( 2.321 -3.247 -4.833) 6.268 9.824 ( 6.989 -19.869 12.870) 24.683 12.537 ( -21.719 6.984 -13.321) 26.419 21.479 ( -1.935 -2.440 -0.784) 3.211 21.515 ( -2.533 -0.042 -1.141) 2.778 21.529 ( 2.142 -2.802 0.263) 3.536 21.578 ( 0.410 -1.760 0.126) 1.811 24.165 ( -0.203 -0.853 1.261) 1.536 24.175 ( 0.032 0.237 0.368) 0.439 32.596 ( -0.290 -0.809 0.081) 0.863 32.633 ( -0.142 -0.115 -1.131) 1.146 41.517 ( 13.905 -0.385 -0.302) 13.914 42.188 ( -1.251 5.986 -9.408) 11.221 42.834 ( 8.634 12.893 3.123) 15.828 43.921 ( -0.401 28.125 -28.710) 40.193 ======================= Grid point 217 (75/231) ======================= q-point: ( 0.38 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.497 ( 7.725 28.083 12.347) 31.635 2.754 ( 6.765 20.951 24.513) 32.949 3.956 ( 15.419 1.303 -1.514) 15.548 4.480 ( 17.683 28.334 10.113) 34.897 4.629 ( -7.864 1.198 -0.157) 7.956 4.769 ( 2.673 8.895 -8.811) 12.803 5.392 ( -2.333 9.004 4.838) 10.484 5.995 ( 9.166 1.644 11.156) 14.531 6.087 ( 0.873 -7.766 -2.868) 8.325 6.466 ( -2.812 -11.379 -13.766) 18.080 6.978 ( 1.175 5.426 -11.073) 12.387 7.279 ( -2.282 1.799 -0.254) 2.917 8.153 ( 1.320 -14.558 9.996) 17.709 8.853 ( -13.912 -14.343 -3.020) 20.209 9.059 ( -2.426 -0.487 0.471) 2.519 9.354 ( 6.744 -3.694 -4.189) 8.756 9.939 ( 13.629 -11.792 17.833) 25.354 12.058 ( -34.148 5.218 -11.254) 36.331 21.422 ( -2.087 -1.400 -0.670) 2.601 21.463 ( -2.661 -0.398 -0.829) 2.816 21.536 ( 1.395 -2.894 0.222) 3.220 21.558 ( -0.259 -2.193 -0.157) 2.214 24.164 ( 0.063 -0.234 0.782) 0.819 24.179 ( 0.016 0.238 0.211) 0.318 32.585 ( -0.280 -0.380 0.039) 0.473 32.624 ( -0.179 0.085 -1.131) 1.148 41.786 ( 18.583 -2.006 1.814) 18.779 42.181 ( -0.421 6.698 -10.532) 12.489 43.149 ( 12.741 10.705 4.713) 17.295 43.969 ( -3.756 17.846 -22.279) 28.791 ======================= Grid point 218 (76/231) ======================= q-point: ( 0.46 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.953 ( 9.728 23.011 10.551) 27.119 3.200 ( 9.269 19.006 22.481) 30.863 4.128 ( 4.221 -0.530 1.972) 4.689 4.497 ( -6.360 3.035 -3.234) 7.753 4.847 ( 3.983 6.331 -7.806) 10.811 5.077 ( 18.307 19.722 6.197) 27.613 5.475 ( 0.469 7.600 0.931) 7.671 5.956 ( -0.434 -9.852 -8.852) 13.252 6.184 ( 2.604 -6.177 2.564) 7.177 6.314 ( 4.188 -4.186 1.312) 6.064 6.978 ( 0.018 4.097 -11.136) 11.866 7.260 ( -1.520 0.310 1.869) 2.429 8.078 ( 0.135 -13.023 7.219) 14.891 8.466 ( -14.240 -12.590 -2.297) 19.146 9.038 ( -2.411 4.693 -0.638) 5.314 9.399 ( 5.783 -4.418 -5.350) 9.033 10.193 ( 16.214 -9.294 22.048) 28.903 11.443 ( -38.266 4.584 -10.178) 39.861 21.382 ( -1.739 0.066 -0.283) 1.763 21.420 ( -1.189 -0.628 -0.497) 1.433 21.507 ( -1.906 -1.952 0.235) 2.738 21.538 ( 0.835 -3.340 -0.572) 3.490 24.169 ( 0.298 0.050 0.483) 0.570 24.182 ( -0.042 0.212 0.045) 0.221 32.581 ( 0.004 0.138 0.069) 0.154 32.617 ( -0.276 0.220 -0.966) 1.029 42.057 ( 11.726 0.492 -1.599) 11.845 42.217 ( 6.933 3.237 -5.725) 9.556 43.480 ( 13.032 7.703 4.672) 15.843 43.924 ( -5.641 11.389 -16.623) 20.925 ======================= Grid point 219 (77/231) ======================= q-point: ( 0.54 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.318 ( 6.218 12.431 8.721) 16.409 3.634 ( 8.570 15.693 20.545) 27.237 4.083 ( -8.462 2.420 2.779) 9.230 4.463 ( -5.926 8.009 -0.598) 9.981 4.970 ( 10.426 4.276 -8.617) 14.186 5.465 ( 8.607 10.142 -6.606) 14.852 5.574 ( 5.557 3.208 6.343) 9.022 5.763 ( -3.044 -9.929 -14.493) 17.830 6.127 ( 3.877 -11.151 0.646) 11.823 6.433 ( 4.439 -0.666 10.107) 11.059 6.935 ( -1.286 1.120 -10.832) 10.966 7.260 ( 0.716 -1.390 3.148) 3.515 7.990 ( -1.329 -9.477 4.060) 10.396 8.153 ( -10.616 -6.954 -1.475) 12.776 9.069 ( -1.200 9.786 -2.528) 10.178 9.399 ( 2.532 -3.977 -5.153) 6.984 10.511 ( 17.675 -8.656 24.612) 31.513 10.815 ( -35.829 3.673 -9.127) 37.155 21.361 ( -1.360 1.106 -0.198) 1.764 21.414 ( 1.228 -0.534 -0.008) 1.339 21.453 ( -2.445 -1.491 0.129) 2.866 21.509 ( -0.114 -3.250 -0.592) 3.306 24.178 ( 0.350 0.129 0.315) 0.488 24.182 ( -0.143 0.150 -0.078) 0.221 32.589 ( 0.383 0.556 0.160) 0.694 32.609 ( -0.449 0.281 -0.697) 0.876 42.119 ( -0.153 5.540 -10.656) 12.012 42.436 ( 15.579 -3.035 4.800) 16.582 43.693 ( 0.185 6.325 -8.034) 10.226 43.907 ( 4.764 5.565 -0.354) 7.334 ======================= Grid point 220 (78/231) ======================= q-point: ( 0.62 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.389 ( -8.546 -2.753 3.919) 9.796 3.900 ( 0.361 2.489 17.677) 17.855 4.125 ( -0.273 18.459 2.302) 18.604 4.391 ( -11.769 9.133 3.820) 15.379 5.140 ( 9.785 2.036 -9.462) 13.763 5.493 ( -3.724 -4.319 -4.393) 7.198 5.610 ( 5.224 -2.846 -13.451) 14.708 5.747 ( 6.925 1.351 1.683) 7.253 6.099 ( 2.486 -8.870 2.013) 9.429 6.532 ( 3.661 -2.722 8.036) 9.240 6.856 ( -1.572 -0.673 -8.292) 8.467 7.287 ( 2.976 -2.700 2.681) 4.831 7.892 ( -4.577 -2.426 -1.046) 5.285 7.995 ( -2.039 -3.768 1.585) 4.568 9.145 ( -0.552 12.350 -5.594) 13.569 9.369 ( -0.563 -0.443 -2.380) 2.485 10.256 ( -28.771 1.450 -8.218) 29.957 10.865 ( 19.303 -8.827 24.905) 32.723 21.358 ( -0.278 1.476 -0.399) 1.554 21.404 ( -1.860 -0.684 0.175) 1.989 21.445 ( 2.346 -0.584 0.140) 2.422 21.472 ( -0.284 -2.452 -0.166) 2.474 24.179 ( -0.291 0.067 -0.149) 0.334 24.186 ( 0.233 0.092 0.224) 0.336 32.600 ( -0.545 0.293 -0.395) 0.734 32.605 ( 0.607 0.739 0.225) 0.982 42.091 ( -2.363 4.820 -10.509) 11.800 42.662 ( 11.931 -3.603 5.757) 13.728 43.585 ( -9.112 4.473 -11.740) 15.519 44.122 ( 11.232 2.119 5.747) 12.794 ======================= Grid point 221 (79/231) ======================= q-point: (-0.31 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.115 ( -18.122 -7.115 2.640) 19.647 3.896 ( -14.524 -1.967 9.968) 17.725 4.140 ( -7.878 7.659 -0.220) 10.989 4.486 ( 1.686 14.870 9.073) 17.501 5.158 ( -1.659 -2.402 -9.984) 10.402 5.376 ( 0.514 -7.536 -0.788) 7.594 5.655 ( 5.096 0.255 -6.811) 8.510 5.844 ( 5.141 -0.811 -1.847) 5.522 6.040 ( -3.160 -5.361 2.474) 6.697 6.553 ( 2.138 -5.478 -4.291) 7.280 6.851 ( 3.630 1.813 2.619) 4.830 7.328 ( 3.474 -2.479 0.808) 4.344 7.802 ( -3.712 0.321 -2.400) 4.432 8.019 ( 5.533 0.565 1.913) 5.881 9.190 ( -2.030 6.850 -5.637) 9.100 9.374 ( -3.723 10.284 -0.671) 10.957 9.825 ( -17.388 -2.382 -7.506) 19.088 11.237 ( 21.339 -9.156 22.283) 32.183 21.365 ( -0.278 0.717 -0.365) 0.851 21.393 ( 0.341 1.616 0.060) 1.653 21.437 ( -0.095 -1.888 -0.067) 1.891 21.496 ( 3.103 -0.992 0.339) 3.275 24.172 ( -0.459 -0.008 -0.150) 0.483 24.189 ( 0.005 0.014 0.149) 0.150 32.590 ( -0.614 0.243 -0.185) 0.686 32.625 ( 0.745 0.690 0.221) 1.039 42.025 ( -4.442 3.708 -8.774) 10.510 42.810 ( 6.838 -3.374 3.904) 8.567 43.396 ( -11.318 2.443 -7.864) 13.997 44.340 ( 10.359 0.481 4.258) 11.210 ======================= Grid point 222 (80/231) ======================= q-point: (-0.23 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.737 ( -21.543 -6.312 4.474) 22.890 3.515 ( -29.328 -4.578 5.648) 30.216 4.116 ( -2.545 3.358 -2.597) 4.949 4.673 ( -0.729 10.202 10.019) 14.318 4.989 ( -7.291 -5.994 -6.614) 11.525 5.310 ( -2.602 -7.640 0.702) 8.102 5.658 ( -1.896 0.179 -4.181) 4.594 5.887 ( 0.392 -1.385 -2.362) 2.766 5.918 ( -5.660 -2.243 2.466) 6.569 6.537 ( 6.697 -1.649 -9.028) 11.361 6.998 ( 7.241 1.734 6.399) 9.818 7.346 ( 0.615 -1.555 -0.949) 1.923 7.760 ( 0.211 -0.112 -2.026) 2.040 8.208 ( 13.716 3.898 1.554) 14.344 9.180 ( -2.803 4.812 -0.889) 5.639 9.353 ( -11.086 8.707 -2.477) 14.312 9.609 ( -2.215 0.272 -6.255) 6.641 11.621 ( 23.655 -9.534 16.536) 30.396 21.374 ( 0.609 1.171 0.015) 1.320 21.429 ( 1.028 1.089 -0.147) 1.505 21.432 ( 1.435 0.345 0.159) 1.484 21.532 ( 2.838 -2.075 -0.144) 3.519 24.162 ( -0.611 -0.038 -0.076) 0.617 24.188 ( -0.237 -0.056 0.085) 0.257 32.583 ( -0.425 0.192 -0.044) 0.469 32.643 ( 0.654 0.430 0.027) 0.783 41.928 ( -6.453 3.229 -6.154) 9.484 42.855 ( 1.390 -3.101 -2.355) 4.135 43.192 ( -12.615 1.511 -0.355) 12.710 44.512 ( 8.757 -0.717 1.228) 8.872 ======================= Grid point 223 (81/231) ======================= q-point: (-0.15 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.349 ( -23.398 -3.959 8.558) 25.227 2.960 ( -33.714 -6.698 4.163) 34.624 4.080 ( -4.236 5.253 -5.185) 8.510 4.618 ( -18.849 -6.104 8.881) 21.712 4.866 ( 0.188 2.849 -1.154) 3.080 5.100 ( -11.850 -7.156 -4.630) 14.597 5.552 ( -9.229 0.707 -2.481) 9.583 5.729 ( -11.218 -1.973 7.255) 13.505 5.994 ( 8.362 2.441 -2.731) 9.129 6.652 ( 11.156 1.952 -7.686) 13.687 7.142 ( 5.389 -0.565 4.692) 7.168 7.306 ( -2.626 -1.007 -2.408) 3.703 7.793 ( 4.067 0.744 0.156) 4.137 8.544 ( 21.396 2.633 0.958) 21.579 9.185 ( -1.919 1.406 -3.575) 4.294 9.241 ( -4.852 5.139 3.895) 8.070 9.598 ( -1.944 5.545 -3.852) 7.026 11.992 ( 24.797 -10.672 7.818) 28.105 21.405 ( 1.806 0.959 -0.059) 2.045 21.452 ( 2.042 -0.285 0.488) 2.119 21.480 ( 1.729 2.595 -0.328) 3.136 21.548 ( 2.182 -2.503 -0.567) 3.368 24.151 ( -0.695 -0.001 0.102) 0.703 24.182 ( -0.404 -0.080 0.052) 0.415 32.580 ( -0.046 0.110 0.008) 0.120 32.655 ( 0.475 0.124 -0.327) 0.590 41.820 ( -7.824 4.063 -2.823) 9.257 42.757 ( -4.895 -3.325 -11.588) 13.012 43.031 ( -11.865 2.310 9.339) 15.275 44.619 ( 6.426 -2.172 -4.168) 7.961 ======================= Grid point 224 (82/231) ======================= q-point: (-0.08 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.992 ( -24.417 -0.364 14.387) 28.342 2.348 ( -34.966 -5.972 3.409) 35.636 3.971 ( -25.244 13.280 -2.303) 28.616 4.221 ( -15.792 -8.186 7.703) 19.384 4.778 ( -6.762 -10.498 -7.370) 14.499 4.916 ( -5.660 6.021 -0.230) 8.267 5.361 ( -12.480 1.219 -3.030) 12.900 5.592 ( -10.161 0.232 11.605) 15.427 6.162 ( 9.285 2.503 -1.081) 9.677 6.828 ( 11.174 3.176 -7.336) 13.739 7.205 ( 1.373 -1.326 0.341) 1.939 7.235 ( -1.462 -2.356 -1.813) 3.313 7.909 ( 5.836 4.129 4.593) 8.497 8.902 ( 19.105 -2.362 -0.226) 19.252 9.122 ( 1.147 -3.460 -4.698) 5.946 9.355 ( 5.097 6.484 6.516) 10.511 9.601 ( -2.421 6.706 1.907) 7.380 12.286 ( 22.730 -13.691 -3.549) 26.771 21.443 ( 2.551 -0.660 -0.496) 2.682 21.483 ( 2.181 -1.524 -0.356) 2.685 21.527 ( 1.628 1.299 0.275) 2.101 21.568 ( 1.913 1.062 -0.330) 2.212 24.142 ( -0.608 0.088 0.466) 0.771 24.174 ( -0.445 -0.043 0.080) 0.454 32.584 ( 0.422 -0.031 0.015) 0.424 32.658 ( 0.298 -0.082 -0.757) 0.818 41.732 ( -8.007 6.424 1.164) 10.331 42.551 ( -7.756 -2.922 -12.436) 14.944 42.918 ( -12.221 3.908 9.945) 16.233 44.617 ( 1.872 -4.153 -14.190) 14.903 ======================= Grid point 229 (83/231) ======================= q-point: ( 0.31 0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.390 ( 0.000 24.518 19.727) 31.469 2.703 ( 0.000 28.933 17.492) 33.810 3.547 ( 0.000 13.293 8.194) 15.616 4.209 ( -0.000 27.363 1.758) 27.419 4.690 ( -0.000 15.921 -8.414) 18.007 4.790 ( 0.000 -2.239 1.230) 2.555 5.551 ( 0.000 5.281 14.026) 14.988 5.724 ( 0.000 6.060 7.088) 9.326 6.070 ( -0.000 -10.865 -5.130) 12.015 6.525 ( -0.000 -12.049 -14.502) 18.854 6.956 ( -0.000 7.143 -9.944) 12.244 7.323 ( -0.000 2.638 -2.678) 3.759 8.122 ( 0.000 -13.636 10.885) 17.447 8.961 ( -0.000 -5.198 -3.139) 6.073 9.236 ( -0.000 -9.765 -4.908) 10.929 9.285 ( 0.000 -1.873 5.358) 5.676 9.593 ( 0.000 -19.753 11.277) 22.746 12.718 ( -0.000 4.395 -10.345) 11.240 21.467 ( -0.000 -3.017 -1.390) 3.322 21.482 ( 0.000 -2.826 1.355) 3.134 21.538 ( -0.000 0.593 -2.132) 2.213 21.552 ( 0.000 -2.131 0.773) 2.267 24.164 ( 0.000 -0.701 1.005) 1.225 24.179 ( 0.000 0.256 0.326) 0.415 32.590 ( 0.000 -0.785 0.065) 0.788 32.627 ( -0.000 -0.074 -1.072) 1.075 41.398 ( -0.000 1.795 -2.087) 2.753 42.214 ( -0.000 6.079 -7.958) 10.014 42.906 ( -0.000 14.374 2.244) 14.548 44.044 ( -0.000 22.736 -22.756) 32.167 ======================= Grid point 230 (84/231) ======================= q-point: ( 0.38 0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.743 ( 3.042 23.929 18.011) 30.104 3.052 ( -0.211 27.085 18.258) 32.665 3.761 ( 10.486 6.534 -0.954) 12.392 4.575 ( 8.557 27.452 6.644) 29.512 4.730 ( -4.981 -1.613 -0.793) 5.296 4.800 ( 1.521 11.832 -6.529) 13.599 5.590 ( -6.298 8.085 8.287) 13.180 5.884 ( 4.510 -5.114 -0.232) 6.823 5.985 ( 6.030 -2.358 3.548) 7.383 6.319 ( -1.971 -11.861 -14.088) 18.521 6.982 ( -0.092 7.783 -8.486) 11.515 7.321 ( -1.357 1.819 -1.974) 3.008 8.053 ( 0.651 -13.206 8.920) 15.950 8.869 ( -5.496 -13.483 -4.224) 15.161 9.032 ( -1.065 -10.292 1.241) 10.421 9.275 ( -1.001 0.643 -0.406) 1.257 9.659 ( 14.461 -11.797 13.049) 22.772 12.527 ( -20.895 3.988 -8.315) 22.840 21.422 ( -0.956 -2.582 -0.856) 2.884 21.478 ( 1.644 -2.941 0.848) 3.474 21.502 ( -2.487 -0.199 -1.026) 2.698 21.546 ( 0.082 -1.395 -0.232) 1.417 24.164 ( 0.049 -0.338 0.697) 0.776 24.183 ( -0.015 0.267 0.214) 0.343 32.583 ( -0.054 -0.489 0.033) 0.493 32.621 ( -0.052 0.082 -1.019) 1.024 41.511 ( 12.287 0.673 -1.368) 12.381 42.218 ( -1.637 6.503 -7.763) 10.258 43.115 ( 7.179 12.887 2.874) 15.030 44.096 ( -3.435 16.106 -17.937) 24.350 ======================= Grid point 231 (85/231) ======================= q-point: ( 0.46 0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.114 ( 4.906 19.892 16.187) 26.111 3.421 ( 3.151 25.799 17.850) 31.530 3.999 ( 12.350 5.561 -1.626) 13.641 4.603 ( -7.247 -0.321 -2.092) 7.550 4.841 ( 1.625 7.206 -5.767) 9.371 5.062 ( 11.694 20.942 4.889) 24.479 5.592 ( -5.192 5.188 0.853) 7.389 5.804 ( 2.201 -10.325 -4.176) 11.353 6.098 ( -3.305 -9.767 -8.802) 13.557 6.193 ( 9.632 0.386 6.333) 11.534 6.996 ( -1.843 6.292 -7.359) 9.856 7.293 ( -2.004 -0.206 -0.622) 2.108 7.986 ( 0.871 -11.945 6.900) 13.823 8.536 ( -11.295 -15.133 -1.867) 18.976 9.043 ( 5.508 -2.286 -1.072) 6.059 9.267 ( 0.415 0.710 -3.972) 4.056 9.903 ( 18.298 -11.462 17.188) 27.598 12.068 ( -34.082 5.226 -6.915) 35.167 21.386 ( -0.371 -1.587 -0.429) 1.685 21.452 ( -2.689 -0.085 -0.706) 2.781 21.480 ( 1.447 -2.988 0.317) 3.335 21.521 ( -1.251 -1.537 -0.224) 1.994 24.167 ( 0.240 -0.064 0.448) 0.512 24.185 ( -0.069 0.259 0.080) 0.280 32.581 ( 0.112 -0.056 0.037) 0.131 32.617 ( -0.074 0.260 -0.889) 0.929 41.766 ( 18.309 -0.953 0.011) 18.334 42.210 ( -1.736 6.604 -8.089) 10.586 43.390 ( 10.445 9.570 3.861) 14.683 44.058 ( -6.436 10.937 -13.755) 18.714 ======================= Grid point 232 (86/231) ======================= q-point: ( 0.54 0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.413 ( 3.239 10.886 13.440) 17.596 3.812 ( 3.946 22.757 16.813) 28.568 4.215 ( 3.012 6.098 5.193) 8.557 4.528 ( 1.012 6.376 -7.183) 9.657 4.884 ( 1.063 4.731 -5.116) 7.049 5.393 ( 7.806 8.836 -8.080) 14.293 5.546 ( 1.853 -1.266 -0.726) 2.359 5.718 ( -5.566 -2.541 -0.429) 6.134 5.942 ( 2.962 -12.760 -2.702) 13.375 6.366 ( 7.308 -0.581 4.919) 8.828 6.955 ( -4.115 2.684 -5.674) 7.506 7.253 ( -0.977 -2.562 0.422) 2.774 7.930 ( 0.677 -8.804 4.783) 10.042 8.241 ( -9.485 -8.367 -1.712) 12.763 9.129 ( 5.108 3.542 -1.856) 6.488 9.257 ( 1.569 -0.711 -6.107) 6.345 10.207 ( 20.382 -12.392 19.972) 31.110 11.473 ( -39.756 6.201 -5.939) 40.673 21.377 ( 0.481 -0.446 0.005) 0.656 21.410 ( -1.777 0.040 -0.434) 1.830 21.470 ( 0.539 -2.698 -0.067) 2.752 21.477 ( -1.949 -1.573 -0.201) 2.512 24.174 ( 0.373 0.061 0.284) 0.473 24.186 ( -0.156 0.216 -0.029) 0.268 32.587 ( 0.414 0.334 0.095) 0.540 32.614 ( -0.204 0.374 -0.674) 0.797 42.057 ( 15.287 0.119 0.011) 15.287 42.215 ( 2.306 4.120 -6.904) 8.364 43.658 ( 9.539 6.504 3.333) 12.017 43.965 ( -6.778 6.617 -9.243) 13.234 ======================= Grid point 233 (87/231) ======================= q-point: ( 0.62 0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.520 ( -4.829 0.094 8.318) 9.618 4.043 ( -3.999 4.595 15.059) 16.244 4.346 ( -0.288 21.768 3.517) 22.052 4.641 ( -1.615 10.525 -0.066) 10.648 4.944 ( 7.913 2.071 -7.642) 11.193 5.405 ( 5.189 -5.904 -13.776) 15.861 5.539 ( -7.183 -0.788 -2.723) 7.722 5.680 ( 3.939 1.758 2.589) 5.030 5.927 ( 7.642 -10.856 2.595) 13.528 6.467 ( 4.414 -1.932 0.335) 4.830 6.870 ( -4.140 -0.317 -1.958) 4.590 7.225 ( 1.359 -3.967 0.386) 4.211 7.897 ( 0.573 -4.118 2.938) 5.091 8.045 ( -7.018 -2.986 -1.390) 7.752 9.237 ( -1.390 6.732 -5.952) 9.093 9.264 ( 7.873 0.996 -3.110) 8.523 10.535 ( 21.469 -13.471 20.223) 32.425 10.844 ( -39.294 5.639 -5.028) 40.014 21.380 ( -0.783 1.016 -0.174) 1.295 21.402 ( 1.257 -0.742 -0.010) 1.459 21.432 ( -1.640 -0.759 -0.021) 1.807 21.449 ( 0.034 -2.389 -0.138) 2.393 24.182 ( 0.337 0.073 0.174) 0.386 24.184 ( -0.254 0.141 -0.077) 0.300 32.601 ( 0.655 0.525 0.140) 0.851 32.610 ( -0.403 0.392 -0.410) 0.696 42.145 ( -2.562 6.178 -5.981) 8.973 42.397 ( 16.982 -2.959 0.043) 17.238 43.747 ( -8.042 6.240 -4.464) 11.115 43.981 ( 9.148 1.156 1.417) 9.329 ======================= Grid point 234 (88/231) ======================= q-point: (-0.31 0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.355 ( -14.957 -4.676 5.753) 16.693 4.035 ( -3.720 -1.885 5.033) 6.536 4.459 ( -14.928 10.909 1.857) 18.582 4.693 ( -2.486 16.757 6.457) 18.130 5.082 ( 6.772 1.730 -4.381) 8.249 5.275 ( -1.852 -10.740 -5.428) 12.175 5.532 ( 6.169 1.277 -3.940) 7.430 5.752 ( 4.202 -0.722 -1.554) 4.539 5.979 ( 5.504 -5.876 3.590) 8.815 6.464 ( 0.534 -2.933 -7.463) 8.037 6.837 ( 0.528 -0.329 4.543) 4.586 7.233 ( 3.992 -3.157 -0.921) 5.173 7.882 ( -4.336 1.247 -0.419) 4.531 7.955 ( 1.736 -2.116 1.388) 3.069 9.231 ( -0.241 2.103 -3.714) 4.275 9.416 ( 5.422 9.498 -4.391) 11.785 10.255 ( -34.244 3.561 -3.895) 34.648 10.863 ( 22.489 -14.442 17.465) 31.927 21.378 ( -0.610 0.975 -0.425) 1.226 21.401 ( 0.064 0.212 0.058) 0.229 21.420 ( -0.065 -1.248 -0.188) 1.264 21.444 ( 1.987 -1.182 0.424) 2.351 24.179 ( -0.403 0.085 -0.077) 0.419 24.188 ( 0.193 0.010 0.102) 0.219 32.603 ( -0.610 0.316 -0.196) 0.714 32.620 ( 0.770 0.463 0.115) 0.906 42.110 ( -4.628 5.416 -4.631) 8.497 42.619 ( 12.887 -2.655 -1.358) 13.227 43.600 ( -11.986 4.079 -1.850) 12.796 44.172 ( 11.364 -0.613 1.273) 11.452 ======================= Grid point 235 (89/231) ======================= q-point: (-0.23 0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.057 ( -19.318 -3.669 6.706) 20.775 3.887 ( -14.843 -4.822 -0.381) 15.611 4.243 ( -13.421 2.536 0.756) 13.680 4.855 ( -2.325 15.278 5.339) 16.350 5.005 ( -5.902 -8.934 -2.621) 11.024 5.250 ( 3.686 -3.183 0.985) 4.969 5.627 ( 4.193 1.991 -1.849) 4.997 5.804 ( 4.445 -0.409 -2.876) 5.310 6.003 ( -1.410 -2.281 4.133) 4.927 6.403 ( 2.069 -0.220 -11.155) 11.347 6.922 ( 5.764 -0.406 6.694) 8.843 7.277 ( 4.392 -1.313 -2.503) 5.223 7.800 ( -4.637 0.953 -0.713) 4.787 8.052 ( 8.690 0.152 1.765) 8.869 9.236 ( -0.887 3.083 -0.670) 3.278 9.559 ( 3.269 9.544 -4.358) 10.990 9.764 ( -25.625 1.189 -2.011) 25.731 11.181 ( 23.860 -14.788 11.350) 30.278 21.377 ( -0.088 0.884 -0.239) 0.920 21.408 ( 0.518 -1.100 0.117) 1.221 21.428 ( 1.376 1.923 -0.160) 2.370 21.469 ( 2.300 -1.908 0.123) 2.991 24.172 ( -0.529 0.062 -0.008) 0.533 24.190 ( -0.039 -0.052 0.034) 0.073 32.594 ( -0.644 0.190 -0.051) 0.673 32.635 ( 0.694 0.190 -0.066) 0.722 42.053 ( -6.164 5.051 -2.007) 8.218 42.740 ( 6.449 -2.153 -5.952) 9.036 43.435 ( -12.464 3.183 3.957) 13.459 44.340 ( 10.262 -1.875 -1.690) 10.568 ======================= Grid point 236 (90/231) ======================= q-point: (-0.15 0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.743 ( -21.080 -0.749 10.079) 23.378 3.452 ( -29.535 -4.879 0.033) 29.935 4.136 ( -2.576 0.856 -2.009) 3.377 4.782 ( -6.389 -11.665 -2.608) 13.554 4.958 ( -5.118 10.841 6.025) 13.417 5.209 ( -7.048 -1.019 -0.746) 7.160 5.658 ( -3.172 1.759 -0.924) 3.743 5.875 ( 3.295 2.382 -0.992) 4.185 5.931 ( -5.185 -0.202 5.095) 7.272 6.460 ( 9.186 3.425 -9.914) 13.943 7.049 ( 6.410 -2.418 5.589) 8.841 7.301 ( 0.843 -0.258 -4.039) 4.134 7.775 ( 0.398 2.037 1.530) 2.578 8.250 ( 15.037 -1.217 0.625) 15.099 9.219 ( -4.344 -0.676 -1.522) 4.652 9.460 ( -12.276 4.017 3.775) 13.457 9.652 ( 0.440 6.906 -1.591) 7.100 11.479 ( 24.944 -14.917 2.215) 29.148 21.387 ( 0.693 0.206 -0.234) 0.760 21.417 ( 1.466 -0.618 0.049) 1.591 21.474 ( 1.570 0.595 -0.042) 1.680 21.489 ( 2.644 -0.188 -0.194) 2.658 24.163 ( -0.617 0.099 0.129) 0.638 24.187 ( -0.248 -0.075 -0.010) 0.259 32.585 ( -0.457 0.039 0.007) 0.459 32.644 ( 0.530 -0.129 -0.387) 0.669 41.990 ( -7.273 5.788 1.273) 9.381 42.719 ( -0.855 -2.201 -11.501) 11.741 43.305 ( -11.607 3.962 9.808) 15.704 44.447 ( 7.870 -3.138 -6.431) 10.637 ======================= Grid point 237 (91/231) ======================= q-point: (-0.08 0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.463 ( -21.891 2.862 15.032) 26.709 2.890 ( -33.409 -2.351 0.459) 33.494 4.130 ( 0.870 2.984 -2.141) 3.774 4.552 ( -9.248 -9.166 2.207) 13.207 4.875 ( -19.297 3.520 2.551) 19.780 5.068 ( -7.007 5.853 -5.577) 10.699 5.542 ( -10.093 1.543 -3.871) 10.920 5.822 ( -8.334 1.368 12.042) 14.709 6.049 ( 7.689 4.086 0.597) 8.728 6.626 ( 11.775 3.955 -9.861) 15.860 7.128 ( 4.046 -4.591 4.647) 7.684 7.257 ( -2.645 0.179 -5.622) 6.216 7.879 ( 5.984 4.748 5.114) 9.193 8.515 ( 20.162 -5.030 -1.008) 20.804 9.084 ( -4.071 -4.792 -2.680) 6.835 9.438 ( -2.430 3.315 6.132) 7.382 9.712 ( -1.228 7.064 6.175) 9.462 11.723 ( 23.827 -15.929 -8.641) 29.936 21.396 ( 1.277 -1.663 -0.517) 2.160 21.436 ( 1.583 -0.692 -0.510) 1.802 21.494 ( 2.239 -1.279 0.492) 2.625 21.553 ( 2.604 2.953 -0.259) 3.946 24.155 ( -0.610 0.176 0.351) 0.725 24.181 ( -0.356 -0.039 -0.002) 0.358 32.580 ( -0.084 -0.116 0.009) 0.144 32.647 ( 0.385 -0.311 -0.772) 0.917 41.946 ( -7.527 7.599 4.978) 11.798 42.572 ( -5.709 -2.081 -13.438) 14.748 43.219 ( -11.735 5.724 11.346) 17.297 44.458 ( 3.680 -4.455 -13.788) 14.950 ======================= Grid point 243 (92/231) ======================= q-point: ( 0.38 0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.027 ( 0.000 20.584 18.819) 27.890 3.402 ( 0.000 26.518 14.687) 30.314 3.742 ( -0.000 8.138 -1.542) 8.283 4.767 ( -0.000 14.111 -2.316) 14.299 4.806 ( 0.000 10.385 10.199) 14.556 4.819 ( -0.000 7.331 -9.753) 12.201 5.730 ( 0.000 -4.205 1.654) 4.518 5.846 ( 0.000 -1.838 2.373) 3.002 5.875 ( -0.000 1.140 -0.595) 1.285 6.185 ( -0.000 -5.570 -8.754) 10.375 7.029 ( -0.000 8.666 -5.808) 10.432 7.336 ( -0.000 1.233 -2.400) 2.698 7.968 ( 0.000 -12.730 7.320) 14.685 8.755 ( 0.000 -15.580 -3.613) 15.993 8.933 ( 0.000 -13.153 1.989) 13.302 9.315 ( 0.000 -1.171 5.597) 5.718 9.486 ( 0.000 -4.064 5.960) 7.213 12.691 ( -0.000 2.564 -7.378) 7.811 21.398 ( 0.000 -2.751 -1.091) 2.959 21.445 ( 0.000 -2.538 1.400) 2.898 21.521 ( 0.000 -1.921 0.780) 2.073 21.527 ( -0.000 0.602 -2.146) 2.228 24.163 ( 0.000 -0.262 0.542) 0.602 24.186 ( 0.000 0.284 0.158) 0.325 32.579 ( 0.000 -0.391 0.027) 0.392 32.618 ( -0.000 0.124 -0.905) 0.913 41.413 ( -0.000 1.811 -1.751) 2.519 42.259 ( -0.000 5.612 -5.014) 7.526 43.192 ( -0.000 13.122 1.593) 13.218 44.177 ( -0.000 12.189 -14.340) 18.820 ======================= Grid point 244 (93/231) ======================= q-point: ( 0.46 0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.316 ( 2.026 15.793 17.421) 23.601 3.723 ( 1.163 25.408 13.709) 28.893 3.875 ( 7.903 7.836 -2.899) 11.501 4.716 ( -6.966 0.895 -0.132) 7.025 4.858 ( 1.265 6.926 -6.583) 9.639 5.091 ( 8.105 15.366 2.075) 17.497 5.612 ( -2.441 -11.125 -6.889) 13.311 5.754 ( -2.024 -1.765 0.894) 2.831 5.976 ( 3.895 -3.528 -3.231) 6.169 6.163 ( 0.350 5.258 3.306) 6.221 7.068 ( -1.967 7.394 -4.006) 8.636 7.315 ( -1.802 -0.506 -1.808) 2.602 7.892 ( 1.067 -11.717 5.776) 13.106 8.519 ( -6.078 -17.386 -0.958) 18.442 8.886 ( 5.091 -6.126 -0.335) 7.973 9.311 ( -2.100 2.511 0.569) 3.323 9.607 ( 13.288 -7.286 10.134) 18.231 12.518 ( -18.854 3.266 -6.807) 20.310 21.368 ( -0.006 -2.091 -0.690) 2.202 21.437 ( 0.895 -2.406 0.968) 2.743 21.487 ( -2.044 -0.663 -0.248) 2.163 21.522 ( -0.374 -0.446 -0.873) 1.049 24.165 ( 0.151 -0.120 0.375) 0.422 24.189 ( -0.054 0.276 0.073) 0.290 32.578 ( 0.148 -0.146 0.029) 0.210 32.615 ( 0.044 0.244 -0.764) 0.803 41.514 ( 10.899 0.957 -0.937) 10.981 42.272 ( -1.874 5.334 -3.750) 6.784 43.365 ( 5.718 10.545 1.597) 12.101 44.177 ( -4.004 8.693 -10.858) 14.474 ======================= Grid point 245 (94/231) ======================= q-point: ( 0.54 0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.541 ( 1.015 7.339 14.438) 16.228 4.071 ( 3.515 24.120 11.308) 26.870 4.123 ( 13.602 8.680 0.037) 16.136 4.607 ( -7.166 1.791 -0.546) 7.406 4.905 ( 0.453 6.674 -5.009) 8.356 5.251 ( 4.403 -2.653 -15.314) 16.154 5.528 ( 2.651 2.937 3.374) 5.200 5.717 ( 3.131 -10.243 1.664) 10.839 5.908 ( -8.381 1.346 -0.965) 8.543 6.271 ( 5.227 1.437 2.209) 5.854 7.049 ( -5.203 3.866 -1.950) 6.769 7.252 ( -2.480 -2.968 -1.083) 4.017 7.848 ( 2.198 -8.442 4.158) 9.663 8.278 ( -6.212 -9.743 -1.123) 11.610 8.955 ( 9.086 -3.822 -1.771) 10.015 9.307 ( -2.430 5.754 -2.679) 6.797 9.848 ( 18.727 -11.567 13.768) 25.962 12.096 ( -31.864 4.635 -6.377) 32.825 21.356 ( 0.761 -1.140 -0.238) 1.391 21.432 ( 0.412 -2.075 0.324) 2.140 21.446 ( -1.867 -0.438 -0.107) 1.920 21.497 ( -1.617 -0.524 -0.554) 1.788 24.170 ( 0.325 -0.018 0.237) 0.403 24.190 ( -0.135 0.233 -0.004) 0.269 32.583 ( 0.422 0.110 0.059) 0.440 32.616 ( 0.037 0.363 -0.572) 0.678 41.754 ( 17.324 -0.219 -0.097) 17.326 42.265 ( -2.748 5.287 -3.141) 6.735 43.577 ( 8.648 6.559 1.818) 11.005 44.105 ( -7.210 6.059 -7.358) 11.951 ======================= Grid point 246 (95/231) ======================= q-point: ( 0.62 0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.626 ( -2.344 -0.637 9.800) 10.096 4.277 ( -10.150 5.788 8.294) 14.329 4.450 ( 15.172 10.249 1.925) 18.410 4.618 ( 6.431 13.801 -3.733) 15.677 4.941 ( -2.150 6.080 -2.334) 6.858 5.193 ( 5.374 -4.610 -11.810) 13.770 5.621 ( 3.005 -0.954 -3.071) 4.402 5.695 ( -3.212 -5.764 -0.169) 6.601 5.758 ( -3.331 -1.763 8.223) 9.046 6.363 ( 5.283 -0.527 -2.860) 6.030 6.961 ( -6.698 0.117 1.613) 6.890 7.183 ( -1.056 -3.526 -1.209) 3.875 7.843 ( 2.490 -4.677 2.937) 6.058 8.117 ( -5.568 -3.094 -1.628) 6.575 9.076 ( 9.510 -2.230 -1.670) 9.910 9.324 ( -1.053 8.584 -4.362) 9.686 10.132 ( 21.478 -14.270 14.341) 29.506 11.523 ( -38.617 4.949 -5.884) 39.375 21.368 ( 1.456 -0.485 0.058) 1.536 21.408 ( -1.354 -0.099 -0.125) 1.364 21.426 ( 0.080 -1.659 0.127) 1.666 21.459 ( -2.063 -0.248 -0.347) 2.106 24.177 ( 0.407 0.003 0.135) 0.429 24.189 ( -0.230 0.164 -0.042) 0.286 32.594 ( 0.697 0.239 0.093) 0.742 32.616 ( -0.142 0.396 -0.347) 0.546 42.053 ( 18.698 -0.542 -0.013) 18.706 42.251 ( -3.044 4.760 -2.217) 6.069 43.782 ( 9.315 3.248 1.319) 9.953 43.988 ( -8.838 3.712 -3.868) 10.337 ======================= Grid point 247 (96/231) ======================= q-point: (-0.31 0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.555 ( -8.914 -3.880 7.606) 12.343 4.097 ( -8.224 -4.780 -5.010) 10.751 4.778 ( 1.063 12.929 2.614) 13.234 4.822 ( 0.645 6.023 0.812) 6.112 4.950 ( 6.759 3.960 2.863) 8.340 5.204 ( 0.993 -2.285 -4.968) 5.558 5.503 ( -6.685 -1.072 -0.208) 6.774 5.651 ( 5.912 -1.407 -6.040) 8.568 5.846 ( 6.236 -3.731 9.201) 11.724 6.387 ( 1.801 -0.651 -9.011) 9.212 6.886 ( -3.652 -0.390 5.948) 6.991 7.149 ( 1.643 -2.233 -2.042) 3.443 7.873 ( 3.310 -1.983 2.289) 4.487 8.002 ( -5.956 -0.132 -1.646) 6.180 9.189 ( 5.523 0.266 0.641) 5.566 9.401 ( 3.271 9.064 -5.787) 11.240 10.421 ( 22.497 -15.559 11.661) 29.735 10.887 ( -39.426 3.758 -4.850) 39.901 21.387 ( 0.914 -0.243 0.047) 0.947 21.395 ( -0.214 0.452 -0.219) 0.546 21.415 ( 0.417 -1.050 0.247) 1.157 21.426 ( -1.473 -0.082 -0.161) 1.484 24.184 ( 0.349 -0.038 0.051) 0.355 24.186 ( -0.328 0.100 -0.028) 0.344 32.609 ( 0.740 0.163 0.064) 0.760 32.614 ( -0.348 0.313 -0.134) 0.486 42.224 ( -4.236 5.154 0.014) 6.671 42.344 ( 16.659 -1.287 -2.059) 16.836 43.832 ( -11.237 4.405 1.101) 12.119 43.977 ( 10.909 -1.406 -1.403) 11.088 ======================= Grid point 248 (97/231) ======================= q-point: (-0.23 0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.358 ( -15.341 -2.302 8.090) 17.495 3.916 ( -2.632 -6.940 -9.610) 12.142 4.567 ( -19.859 -1.068 1.750) 19.964 4.920 ( 1.805 -14.098 -2.418) 14.417 5.111 ( -8.592 13.508 1.793) 16.109 5.181 ( 8.025 4.499 7.236) 11.704 5.547 ( 6.928 2.147 0.743) 7.292 5.713 ( 4.710 2.166 -5.426) 7.504 5.968 ( 5.649 -1.757 7.252) 9.359 6.335 ( -0.245 1.032 -12.793) 12.837 6.901 ( 0.818 0.261 8.011) 8.057 7.175 ( 4.438 -0.214 -3.580) 5.705 7.897 ( -6.079 0.929 -1.027) 6.235 7.939 ( 5.429 -1.633 1.739) 5.930 9.273 ( 1.159 3.429 3.399) 4.965 9.519 ( 5.462 5.208 -5.637) 9.419 10.281 ( -34.327 2.666 -2.255) 34.504 10.693 ( 22.857 -15.380 5.590) 28.111 21.389 ( -0.407 0.500 0.024) 0.645 21.401 ( -0.252 0.048 -0.056) 0.263 21.417 ( 1.017 0.454 -0.192) 1.130 21.425 ( 1.413 -0.906 0.151) 1.685 24.180 ( -0.419 0.076 0.036) 0.427 24.188 ( 0.179 -0.093 -0.025) 0.203 32.606 ( -0.670 0.179 0.027) 0.694 32.623 ( 0.756 -0.122 -0.091) 0.771 42.196 ( -5.256 4.708 2.325) 7.430 42.549 ( 11.171 -0.818 -5.612) 12.528 43.692 ( -11.726 3.438 5.513) 13.405 44.129 ( 10.881 -2.446 -3.919) 11.821 ======================= Grid point 249 (98/231) ======================= q-point: (-0.15 0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.122 ( -17.853 1.107 10.429) 20.705 3.730 ( -9.676 -5.890 -7.834) 13.773 4.237 ( -14.603 -3.909 0.561) 15.127 4.708 ( -3.107 -17.501 -2.771) 17.990 5.162 ( -4.457 12.512 0.530) 13.293 5.320 ( -1.278 3.489 8.600) 9.368 5.676 ( 3.526 3.290 0.320) 4.833 5.810 ( 5.924 4.731 -2.405) 7.954 6.027 ( -1.840 -0.553 5.801) 6.111 6.320 ( 5.009 3.854 -13.051) 14.501 6.982 ( 3.351 -0.520 8.091) 8.773 7.233 ( 4.249 0.603 -5.317) 6.833 7.825 ( -3.235 1.693 0.857) 3.750 8.040 ( 8.673 -2.765 0.724) 9.131 9.299 ( -4.511 0.954 2.556) 5.272 9.571 ( 0.130 -2.569 -4.528) 5.208 9.872 ( -17.943 8.018 6.047) 20.562 10.937 ( 23.112 -14.244 -3.232) 27.341 21.383 ( -0.336 -0.617 0.080) 0.707 21.404 ( 0.223 1.060 -0.090) 1.087 21.432 ( 1.505 -1.901 0.070) 2.425 21.461 ( 2.541 1.718 -0.320) 3.084 24.174 ( -0.489 0.109 0.142) 0.521 24.188 ( -0.025 -0.116 -0.083) 0.145 32.596 ( -0.733 0.022 0.089) 0.739 32.631 ( 0.598 -0.432 -0.349) 0.815 42.170 ( -5.908 5.290 5.198) 9.482 42.622 ( 3.795 -1.158 -10.446) 11.174 43.583 ( -10.800 4.371 10.164) 15.461 44.237 ( 9.152 -3.493 -7.912) 12.592 ======================= Grid point 250 (99/231) ======================= q-point: (-0.08 0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.912 ( -18.683 4.658 14.551) 24.134 3.363 ( -25.225 -2.157 -2.472) 25.437 4.092 ( 0.757 -3.030 -2.688) 4.121 4.495 ( -2.106 -14.986 -1.871) 15.249 5.179 ( -5.541 9.556 -3.682) 11.643 5.292 ( -12.644 5.781 8.230) 16.156 5.679 ( -6.177 3.432 -4.661) 8.465 5.954 ( 3.815 4.094 4.025) 6.893 6.021 ( -0.729 2.520 6.624) 7.125 6.424 ( 9.998 3.787 -12.261) 16.268 7.065 ( 2.855 -2.032 7.963) 8.700 7.246 ( 0.484 0.381 -7.170) 7.196 7.861 ( 3.513 3.602 4.022) 6.442 8.182 ( 13.245 -5.259 -0.504) 14.260 9.139 ( -9.462 -4.913 -2.015) 10.850 9.490 ( -1.699 -5.535 1.449) 5.969 9.883 ( -3.742 11.010 14.050) 18.238 11.140 ( 22.347 -13.698 -12.941) 29.232 21.368 ( -0.082 -1.600 -0.265) 1.624 21.419 ( 0.322 1.001 -0.292) 1.092 21.444 ( 2.193 -1.814 0.432) 2.879 21.526 ( 3.216 1.931 -0.450) 3.778 24.168 ( -0.518 0.182 0.285) 0.618 24.185 ( -0.178 -0.082 -0.098) 0.219 32.585 ( -0.561 -0.090 0.083) 0.574 32.632 ( 0.470 -0.576 -0.658) 0.993 42.162 ( -6.058 6.681 8.143) 12.151 42.554 ( -2.388 -1.508 -13.382) 13.677 43.520 ( -10.368 6.202 12.296) 17.238 44.269 ( 5.586 -4.361 -13.486) 15.235 ======================= Grid point 257 (100/231) ======================= q-point: ( 0.46 0.46 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.515 ( 0.000 10.888 15.008) 18.541 3.868 ( -0.000 7.425 -3.235) 8.099 3.989 ( 0.000 20.383 10.948) 23.137 4.789 ( -0.000 1.032 -9.073) 9.131 4.882 ( 0.000 6.633 5.745) 8.776 5.140 ( -0.000 9.724 -5.547) 11.195 5.504 ( -0.000 -9.923 -4.771) 11.010 5.675 ( 0.000 -8.999 -3.633) 9.705 5.969 ( 0.000 3.713 3.297) 4.965 6.254 ( -0.000 7.735 3.022) 8.305 7.138 ( -0.000 6.469 -2.562) 6.958 7.321 ( -0.000 -0.206 -1.451) 1.466 7.794 ( 0.000 -11.660 4.486) 12.493 8.401 ( 0.000 -16.119 -0.072) 16.120 8.788 ( 0.000 -5.569 0.798) 5.626 9.345 ( 0.000 -1.229 3.910) 4.099 9.494 ( 0.000 -0.943 3.604) 3.725 12.664 ( -0.000 2.586 -7.382) 7.822 21.345 ( 0.000 -1.832 -0.643) 1.941 21.415 ( 0.000 -1.908 1.021) 2.163 21.497 ( 0.000 -1.411 0.630) 1.546 21.519 ( -0.000 0.717 -1.631) 1.781 24.164 ( 0.000 -0.110 0.281) 0.302 24.193 ( -0.000 0.254 0.035) 0.256 32.575 ( 0.000 -0.099 0.037) 0.106 32.613 ( -0.000 0.269 -0.611) 0.667 41.432 ( -0.000 1.423 -0.263) 1.447 42.321 ( -0.000 3.779 -0.346) 3.795 43.419 ( -0.000 9.410 -0.240) 9.413 44.234 ( -0.000 6.545 -7.719) 10.120 ======================= Grid point 258 (101/231) ======================= q-point: ( 0.54 0.46 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.654 ( -0.181 2.779 11.428) 11.763 3.981 ( 8.216 6.628 -3.942) 11.268 4.259 ( 5.783 17.039 8.162) 19.758 4.728 ( -4.234 0.860 -2.880) 5.192 4.950 ( -2.879 2.139 2.880) 4.600 5.126 ( -0.446 4.175 -15.969) 16.512 5.466 ( 6.346 -3.604 -3.556) 8.118 5.618 ( 0.238 -5.728 7.659) 9.567 6.008 ( -0.658 1.888 0.459) 2.051 6.300 ( -3.280 4.525 2.321) 6.051 7.152 ( -2.976 4.007 -1.818) 5.313 7.276 ( -3.989 -1.641 -0.208) 4.319 7.741 ( 3.142 -8.368 3.129) 9.470 8.250 ( -2.341 -9.672 -0.399) 9.960 8.794 ( 5.488 -3.221 0.341) 6.372 9.364 ( 0.430 2.473 -0.415) 2.544 9.570 ( 9.214 -6.127 6.814) 12.995 12.505 ( -17.177 3.243 -7.843) 19.160 21.332 ( 0.577 -1.049 -0.300) 1.235 21.407 ( 0.452 -1.561 0.572) 1.722 21.473 ( -1.612 -0.769 0.254) 1.805 21.513 ( -0.811 0.438 -0.913) 1.297 24.166 ( 0.197 -0.077 0.184) 0.281 24.194 ( -0.078 0.193 -0.010) 0.208 32.577 ( 0.277 -0.002 0.053) 0.282 32.615 ( 0.119 0.338 -0.423) 0.555 41.529 ( 9.846 0.798 0.673) 9.901 42.341 ( -1.756 3.144 1.548) 3.920 43.528 ( 4.560 5.876 -1.219) 7.537 44.224 ( -4.117 5.128 -4.243) 7.826 ======================= Grid point 259 (102/231) ======================= q-point: ( 0.62 0.46 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.676 ( -1.220 -4.260 6.336) 7.732 4.214 ( 14.984 4.113 -4.575) 16.197 4.545 ( -13.493 -0.854 -1.610) 13.615 4.579 ( 11.787 7.503 1.502) 14.053 4.941 ( 4.962 0.379 -1.098) 5.096 5.159 ( -2.674 13.336 -4.700) 14.390 5.465 ( 3.248 -8.552 -3.129) 9.668 5.679 ( 3.656 -0.933 9.740) 10.446 5.947 ( -9.151 0.557 0.005) 9.168 6.290 ( 0.430 0.086 -1.451) 1.516 7.094 ( -6.944 1.431 1.397) 7.227 7.185 ( -3.359 -2.121 -0.908) 4.075 7.759 ( 4.069 -4.141 2.020) 6.148 8.147 ( -2.608 -2.801 -1.388) 4.071 8.903 ( 9.189 -0.595 0.541) 9.224 9.391 ( -0.785 5.801 -3.328) 6.734 9.742 ( 16.753 -11.695 8.525) 22.138 12.102 ( -30.130 3.667 -7.898) 31.363 21.341 ( 1.250 -0.316 0.025) 1.290 21.404 ( 0.409 -0.975 0.124) 1.064 21.438 ( -1.841 -0.387 0.157) 1.888 21.491 ( -1.852 0.393 -0.437) 1.943 24.171 ( 0.360 -0.072 0.095) 0.379 24.194 ( -0.161 0.109 -0.033) 0.197 32.585 ( 0.580 0.039 0.070) 0.586 32.619 ( 0.100 0.368 -0.208) 0.435 41.757 ( 16.084 0.150 0.877) 16.108 42.344 ( -2.780 3.006 2.881) 5.006 43.656 ( 7.525 1.551 -2.240) 8.003 44.158 ( -7.578 4.313 -0.568) 8.737 ======================= Grid point 260 (103/231) ======================= q-point: (-0.31 -0.54 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.620 ( -1.520 -7.284 3.436) 8.196 4.161 ( -11.502 -7.794 -13.339) 19.261 4.554 ( 16.102 -1.705 -0.369) 16.197 4.840 ( 11.841 0.091 2.708) 12.147 5.034 ( -4.375 1.701 2.615) 5.373 5.196 ( 0.253 12.214 0.638) 12.233 5.482 ( 6.435 -0.028 -3.891) 7.520 5.700 ( -10.266 0.285 0.823) 10.303 5.816 ( -0.261 -2.432 10.200) 10.489 6.300 ( 2.773 -0.273 -7.251) 7.767 7.003 ( -6.311 0.712 5.469) 8.381 7.127 ( -1.575 0.182 -2.442) 2.911 7.804 ( 3.703 -2.048 1.427) 4.466 8.079 ( -4.058 0.878 -1.818) 4.532 9.077 ( 9.853 2.144 2.356) 10.355 9.419 ( 0.120 5.295 -3.758) 6.494 9.971 ( 20.391 -13.069 5.763) 24.896 11.529 ( -37.552 2.874 -7.106) 38.326 21.364 ( 1.502 -0.001 0.141) 1.509 21.404 ( 0.004 0.198 -0.082) 0.214 21.411 ( -0.967 -0.326 0.160) 1.032 21.459 ( -2.197 0.394 -0.142) 2.237 24.177 ( 0.415 -0.109 0.010) 0.429 24.191 ( -0.233 0.036 -0.015) 0.236 32.597 ( 0.767 -0.068 0.052) 0.771 32.621 ( -0.145 0.306 0.004) 0.339 42.043 ( 17.635 -0.110 -0.433) 17.640 42.340 ( -3.416 2.959 4.478) 6.362 43.778 ( 9.439 -2.015 -3.782) 10.366 44.058 ( -9.855 3.926 3.063) 11.041 ======================= Grid point 261 (104/231) ======================= q-point: (-0.23 -0.54 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.536 ( -3.299 -6.299 4.927) 8.651 3.843 ( -8.119 -7.442 -14.225) 17.991 4.664 ( 7.326 -17.271 -3.957) 19.173 4.830 ( -13.393 -6.622 2.105) 15.088 5.075 ( 12.702 1.827 4.859) 13.721 5.370 ( -3.445 14.497 1.181) 14.948 5.523 ( -0.078 3.111 2.529) 4.010 5.632 ( 4.026 4.778 -3.983) 7.410 5.907 ( 4.935 -1.388 11.534) 12.622 6.283 ( 0.533 1.103 -11.445) 11.511 6.976 ( -2.837 2.095 8.029) 8.769 7.114 ( 0.941 1.817 -4.190) 4.663 7.855 ( 3.795 -1.682 1.011) 4.272 8.002 ( -5.834 1.943 -1.496) 6.328 9.276 ( 7.063 4.690 5.549) 10.133 9.452 ( 2.209 1.005 -3.291) 4.089 10.212 ( 21.116 -11.695 -0.347) 24.141 10.887 ( -38.049 1.879 -4.459) 38.356 21.389 ( 1.252 0.176 0.075) 1.266 21.399 ( -0.074 -0.231 0.027) 0.244 21.412 ( -0.025 0.998 0.064) 1.000 21.428 ( -1.657 0.361 -0.023) 1.696 24.182 ( 0.347 -0.161 -0.071) 0.389 24.187 ( -0.289 0.005 0.044) 0.292 32.608 ( 0.747 -0.330 -0.043) 0.818 32.619 ( -0.499 0.169 0.164) 0.552 42.292 ( 10.101 -0.687 -0.554) 10.139 42.347 ( 0.591 3.452 3.247) 4.776 43.878 ( 6.159 -3.606 -2.052) 7.426 43.960 ( -6.277 3.489 2.926) 7.755 ======================= Grid point 262 (105/231) ======================= q-point: (-0.15 0.46 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.432 ( -10.522 -0.699 10.361) 14.783 3.636 ( 1.165 -7.592 -15.129) 16.968 4.476 ( -13.773 -11.836 2.640) 18.351 4.529 ( -3.626 -17.741 -4.061) 18.558 5.311 ( 9.672 0.583 5.842) 11.314 5.368 ( -6.203 10.012 -1.344) 11.854 5.671 ( 3.946 8.024 5.532) 10.515 5.747 ( 5.925 5.511 -3.697) 8.896 6.044 ( 4.240 0.498 9.867) 10.751 6.235 ( 0.222 2.628 -13.668) 13.920 7.020 ( -0.560 2.785 9.046) 9.481 7.143 ( 3.458 1.790 -6.525) 7.598 7.903 ( 1.033 -1.103 1.424) 2.077 7.926 ( -1.846 1.121 -1.334) 2.538 9.398 ( -2.511 2.365 5.989) 6.911 9.470 ( 4.072 -5.760 -2.655) 7.537 10.345 ( -27.939 5.184 3.535) 28.635 10.433 ( 20.443 -9.364 -8.311) 23.973 21.391 ( -0.512 -0.667 0.396) 0.929 21.397 ( -0.214 -0.627 -0.278) 0.718 21.427 ( -0.038 1.789 0.258) 1.808 21.432 ( 1.798 0.994 -0.346) 2.083 24.182 ( -0.329 0.031 0.133) 0.356 24.184 ( 0.201 -0.187 -0.141) 0.309 32.610 ( -0.768 0.027 0.259) 0.811 32.614 ( 0.590 -0.618 -0.243) 0.888 42.328 ( -3.643 2.677 8.824) 9.914 42.468 ( 7.767 -0.058 -8.787) 11.728 43.842 ( -8.990 3.277 10.887) 14.494 44.003 ( 9.241 -3.336 -9.259) 13.500 ======================= Grid point 263 (106/231) ======================= q-point: (-0.08 0.46 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.301 ( -14.008 4.430 12.812) 19.493 3.536 ( -1.085 -5.120 -8.663) 10.122 4.126 ( -14.075 -6.632 -0.864) 15.583 4.335 ( 1.354 -18.612 -0.768) 18.677 5.345 ( -6.149 8.914 -3.504) 11.383 5.458 ( 2.913 0.904 6.389) 7.079 5.785 ( -2.991 8.206 -0.604) 8.755 5.901 ( 8.047 4.745 0.031) 9.342 6.113 ( -2.725 2.897 6.852) 7.923 6.247 ( 7.164 1.204 -10.160) 12.490 7.090 ( 0.052 2.211 9.216) 9.478 7.176 ( 3.293 0.743 -8.382) 9.036 7.884 ( -0.970 2.723 2.103) 3.575 7.978 ( 6.603 -3.161 -0.749) 7.359 9.268 ( -12.301 -4.805 -1.394) 13.279 9.412 ( 1.216 -11.421 0.606) 11.502 10.189 ( -9.857 12.428 16.979) 23.236 10.614 ( 19.235 -8.395 -16.041) 26.415 21.368 ( -1.325 -0.614 -0.171) 1.470 21.396 ( 1.492 -1.750 0.253) 2.313 21.440 ( -0.779 2.235 0.135) 2.371 21.483 ( 3.205 0.864 -0.430) 3.347 24.178 ( -0.356 0.103 0.237) 0.440 24.184 ( 0.050 -0.159 -0.179) 0.245 32.597 ( -0.858 -0.018 0.247) 0.893 32.614 ( 0.499 -0.756 -0.461) 1.016 42.347 ( -4.037 4.201 10.615) 12.109 42.480 ( 1.650 -1.265 -12.387) 12.560 43.801 ( -8.848 5.623 12.868) 16.598 44.050 ( 7.521 -4.383 -13.219) 15.828 ======================= Grid point 271 (107/231) ======================= q-point: ( 0.54 0.54 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.699 ( 0.000 -3.940 5.722) 6.947 3.949 ( -0.000 5.173 -3.865) 6.457 4.327 ( -0.000 4.444 1.744) 4.773 4.735 ( -0.000 2.243 -2.449) 3.321 4.995 ( -0.000 -5.679 -8.191) 9.967 5.198 ( -0.000 16.310 1.467) 16.376 5.328 ( -0.000 -2.055 -4.332) 4.795 5.625 ( 0.000 -5.101 11.787) 12.843 6.012 ( -0.000 -0.281 -0.914) 0.956 6.390 ( 0.000 2.437 1.628) 2.931 7.190 ( -0.000 2.415 -3.101) 3.931 7.325 ( 0.000 0.402 1.552) 1.603 7.646 ( 0.000 -6.575 2.348) 6.981 8.186 ( 0.000 -5.990 -0.446) 6.007 8.727 ( 0.000 -1.896 1.422) 2.370 9.340 ( 0.000 -2.015 0.759) 2.154 9.509 ( 0.000 -1.067 2.420) 2.645 12.633 ( -0.000 3.230 -9.186) 9.737 21.319 ( 0.000 -0.411 -0.099) 0.423 21.393 ( 0.000 -1.091 0.312) 1.135 21.481 ( 0.000 -0.776 0.307) 0.834 21.522 ( -0.000 0.933 -0.702) 1.168 24.165 ( 0.000 -0.109 0.124) 0.165 24.196 ( -0.000 0.106 -0.033) 0.111 32.575 ( 0.000 -0.023 0.058) 0.063 32.615 ( -0.000 0.353 -0.242) 0.428 41.462 ( 0.000 0.734 2.055) 2.183 42.394 ( 0.000 1.352 4.815) 5.002 43.524 ( -0.000 3.364 -3.482) 4.842 44.290 ( -0.000 4.539 -0.958) 4.639 ======================= Grid point 272 (108/231) ======================= q-point: (-0.38 -0.46 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.638 ( -0.342 -9.849 -0.826) 9.890 4.032 ( 7.663 2.125 -3.552) 8.710 4.372 ( 7.557 -9.296 -5.534) 13.197 4.700 ( -7.671 0.672 -4.161) 8.753 4.920 ( 3.024 4.253 1.082) 5.329 5.331 ( -0.069 11.541 -0.263) 11.544 5.367 ( -0.166 3.469 -0.701) 3.543 5.655 ( 2.652 -5.435 14.686) 15.882 5.999 ( 0.044 -1.254 -2.694) 2.972 6.342 ( -5.593 -2.205 0.258) 6.018 7.181 ( -1.871 2.672 -3.236) 4.595 7.267 ( -6.706 -1.167 3.095) 7.477 7.662 ( 4.598 -2.103 1.264) 5.212 8.147 ( -0.545 -0.236 -1.308) 1.437 8.779 ( 6.065 0.437 2.042) 6.415 9.379 ( 5.887 0.143 -2.368) 6.347 9.517 ( 2.485 -4.863 3.770) 6.636 12.478 ( -16.470 3.655 -9.875) 19.548 21.325 ( 0.679 0.314 0.192) 0.772 21.390 ( 0.458 -0.503 -0.074) 0.684 21.464 ( -1.377 -0.330 0.097) 1.419 21.520 ( -1.110 0.875 -0.164) 1.423 24.166 ( 0.212 -0.136 0.054) 0.257 24.196 ( -0.075 0.001 -0.049) 0.090 32.578 ( 0.320 -0.036 0.062) 0.327 32.619 ( 0.143 0.366 -0.034) 0.394 41.558 ( 9.095 0.222 2.844) 9.532 42.420 ( -1.346 0.502 6.785) 6.936 43.550 ( 3.831 -0.309 -4.837) 6.178 44.300 ( -4.125 4.086 2.175) 6.200 ======================= Grid point 273 (109/231) ======================= q-point: (-0.31 -0.46 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.514 ( 1.168 -13.018 -5.877) 14.331 4.125 ( 1.259 -6.464 -9.066) 11.205 4.283 ( 7.495 -13.828 -5.137) 16.546 4.669 ( 5.151 0.712 1.135) 5.323 5.069 ( 3.493 1.810 3.793) 5.465 5.347 ( -3.688 7.229 0.410) 8.126 5.433 ( 2.272 6.414 -1.070) 6.888 5.742 ( 1.915 -2.866 11.254) 11.770 5.938 ( -5.946 0.083 1.714) 6.189 6.235 ( -1.061 -3.236 -3.644) 4.987 7.144 ( -5.397 3.227 -0.272) 6.294 7.172 ( -4.287 0.218 2.038) 4.752 7.731 ( 4.142 -0.267 0.310) 4.162 8.139 ( -2.075 3.883 -1.874) 4.785 8.947 ( 10.216 2.944 3.334) 11.142 9.448 ( -0.072 3.394 -2.617) 4.286 9.588 ( 14.501 -9.745 1.863) 17.570 12.075 ( -29.712 3.216 -9.437) 31.340 21.346 ( 1.038 0.584 0.307) 1.230 21.400 ( 0.777 0.573 -0.161) 0.979 21.436 ( -1.753 0.073 -0.022) 1.755 21.500 ( -2.136 0.710 0.159) 2.256 24.169 ( 0.363 -0.182 -0.024) 0.407 24.193 ( -0.129 -0.085 -0.037) 0.159 32.585 ( 0.562 -0.124 0.052) 0.577 32.625 ( 0.079 0.312 0.179) 0.368 41.775 ( 14.862 -0.038 2.131) 15.014 42.433 ( -2.073 0.135 8.259) 8.516 43.593 ( 6.904 -3.412 -5.823) 9.655 44.257 ( -7.474 3.422 4.871) 9.555 ======================= Grid point 274 (110/231) ======================= q-point: (-0.23 -0.46 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.388 ( 4.426 -13.856 -9.449) 17.346 3.880 ( -8.115 -11.089 -6.821) 15.341 4.331 ( 10.217 -14.896 -4.374) 18.586 4.806 ( 8.299 -5.592 5.006) 11.189 5.020 ( -4.202 -2.707 1.724) 5.287 5.440 ( 4.913 4.066 -9.566) 11.497 5.546 ( 2.720 10.499 5.485) 12.154 5.706 ( -4.832 -1.758 2.798) 5.854 5.937 ( -1.272 3.471 14.232) 14.705 6.209 ( 2.749 -0.570 -8.330) 8.790 7.094 ( -4.329 2.901 3.836) 6.471 7.140 ( -2.541 2.948 -1.093) 4.043 7.791 ( 3.242 0.118 -0.436) 3.274 8.117 ( -5.183 5.219 -1.531) 7.513 9.183 ( 10.968 3.703 3.951) 12.232 9.442 ( -0.553 -1.757 2.690) 3.260 9.789 ( 18.269 -4.962 -5.720) 19.776 11.499 ( -36.800 2.275 -6.886) 37.507 21.370 ( 1.130 0.447 0.189) 1.230 21.410 ( -1.299 0.127 -0.006) 1.305 21.424 ( 0.607 1.974 0.048) 2.066 21.468 ( -2.507 0.508 0.187) 2.565 24.173 ( 0.411 -0.238 -0.107) 0.487 24.190 ( -0.155 -0.124 0.013) 0.199 32.593 ( 0.613 -0.338 0.001) 0.700 32.628 ( -0.229 0.192 0.359) 0.467 42.038 ( 15.630 -0.143 -0.558) 15.641 42.443 ( -2.322 0.025 9.479) 9.759 43.654 ( 9.341 -4.925 -6.775) 12.546 44.178 ( -9.247 2.761 7.203) 12.042 ======================= Grid point 275 (111/231) ======================= q-point: (-0.15 -0.46 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.311 ( 8.443 -12.610 -11.866) 19.264 3.650 ( -6.112 -8.008 0.239) 10.076 4.258 ( 3.243 -17.758 -2.007) 18.163 4.672 ( -12.452 -10.812 1.935) 16.604 5.134 ( 12.098 0.501 3.490) 12.601 5.463 ( 2.487 0.581 -8.435) 8.813 5.664 ( 2.373 2.093 1.755) 3.619 5.764 ( 2.983 10.667 4.054) 11.795 6.043 ( 2.269 2.158 9.678) 10.172 6.210 ( 0.446 3.303 -6.130) 6.978 7.092 ( -0.594 2.979 -2.504) 3.936 7.134 ( -2.087 3.098 4.064) 5.520 7.839 ( 2.916 0.408 -1.038) 3.122 8.053 ( -7.415 4.890 -0.696) 8.910 9.323 ( 4.631 -7.510 -0.228) 8.826 9.472 ( 0.807 1.723 7.702) 7.933 10.009 ( 17.644 -2.232 -11.826) 21.358 10.911 ( -33.296 4.551 0.731) 33.613 21.383 ( -0.264 -0.749 0.021) 0.794 21.403 ( 0.852 0.646 0.072) 1.071 21.433 ( -2.253 0.532 -0.012) 2.315 21.457 ( 0.126 2.896 0.303) 2.915 24.177 ( 0.364 -0.273 -0.184) 0.491 24.186 ( -0.161 -0.105 0.091) 0.213 32.597 ( 0.507 -0.607 -0.106) 0.798 32.624 ( -0.627 0.074 0.458) 0.780 42.251 ( 11.667 -0.708 -4.489) 12.520 42.457 ( -2.294 0.266 9.860) 10.127 43.733 ( 10.594 -5.054 -8.415) 14.442 44.094 ( -9.035 2.920 9.766) 13.621 ======================= Grid point 285 (112/231) ======================= q-point: (-0.38 -0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.497 ( -0.000 -14.820 -7.841) 16.767 3.965 ( -0.000 -0.422 -2.360) 2.397 4.149 ( -0.000 -16.272 -8.010) 18.137 4.833 ( -0.000 5.900 0.431) 5.916 4.841 ( -0.000 -2.091 -2.829) 3.518 5.372 ( -0.000 8.458 -0.183) 8.460 5.474 ( 0.000 0.267 0.397) 0.478 5.693 ( 0.000 2.699 19.794) 19.978 5.952 ( -0.000 -3.277 -3.733) 4.967 6.353 ( 0.000 -6.425 -0.301) 6.432 7.206 ( -0.000 3.211 -3.300) 4.605 7.333 ( 0.000 -2.155 2.782) 3.519 7.620 ( -0.000 1.984 0.866) 2.165 8.163 ( -0.000 4.893 -1.878) 5.241 8.749 ( 0.000 1.780 2.961) 3.454 9.285 ( -0.000 -2.515 -2.652) 3.655 9.501 ( 0.000 -2.068 1.838) 2.767 12.600 ( -0.000 4.619 -11.135) 12.055 21.328 ( -0.000 1.166 0.494) 1.266 21.381 ( -0.000 -0.087 -0.465) 0.473 21.474 ( -0.000 -0.028 -0.151) 0.154 21.540 ( -0.000 1.032 0.379) 1.100 24.162 ( 0.000 -0.189 0.001) 0.189 24.196 ( -0.000 -0.122 -0.073) 0.142 32.575 ( 0.000 -0.042 0.049) 0.064 32.622 ( -0.000 0.383 0.161) 0.415 41.501 ( 0.000 -0.393 4.480) 4.497 42.468 ( 0.000 -1.321 9.296) 9.389 43.474 ( -0.000 -3.007 -6.321) 6.999 44.389 ( 0.000 3.599 4.536) 5.791 ======================= Grid point 286 (113/231) ======================= q-point: (-0.31 -0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.296 ( 1.263 -17.618 -12.485) 21.630 3.951 ( 2.721 -21.283 -9.247) 23.364 3.992 ( 6.569 -4.987 -2.228) 8.543 4.720 ( -5.816 2.550 1.504) 6.526 4.996 ( 7.252 0.837 -0.555) 7.322 5.395 ( -1.747 -10.112 1.468) 10.366 5.481 ( 1.302 10.547 1.873) 10.791 5.796 ( -3.142 -0.009 8.498) 9.061 5.961 ( 4.699 2.638 2.541) 5.958 6.237 ( -5.024 -6.689 0.132) 8.366 7.209 ( -1.362 3.204 -2.821) 4.481 7.281 ( -4.809 -1.159 3.442) 6.026 7.683 ( 2.814 3.468 -0.227) 4.472 8.217 ( -1.149 9.961 -2.365) 10.302 8.850 ( 6.915 3.358 4.087) 8.706 9.316 ( 8.515 -2.509 -4.265) 9.848 9.478 ( -1.138 -2.304 1.846) 3.164 12.449 ( -16.813 5.094 -11.151) 20.808 21.347 ( 0.212 1.518 0.592) 1.643 21.389 ( 1.018 0.853 -0.532) 1.431 21.463 ( -1.229 0.430 -0.316) 1.340 21.541 ( -1.410 0.873 0.746) 1.819 24.162 ( 0.208 -0.243 -0.071) 0.328 24.193 ( -0.042 -0.220 -0.078) 0.237 32.577 ( 0.277 -0.057 0.035) 0.285 32.628 ( 0.107 0.354 0.362) 0.518 41.592 ( 8.583 -0.903 4.699) 9.827 42.495 ( -0.808 -2.402 10.816) 11.109 43.428 ( 3.738 -5.522 -7.118) 9.754 44.413 ( -4.153 2.702 6.511) 8.181 ======================= Grid point 287 (114/231) ======================= q-point: (-0.23 -0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.095 ( 4.271 -18.137 -15.092) 23.978 3.703 ( 2.054 -26.932 -8.057) 28.186 4.071 ( 8.176 -4.683 -1.554) 9.549 4.724 ( 1.132 0.739 5.455) 5.620 5.032 ( -0.089 -4.549 -0.963) 4.650 5.290 ( 3.208 -11.793 -3.612) 12.744 5.626 ( 2.258 9.166 -0.034) 9.440 5.740 ( -1.914 -3.304 5.577) 6.759 6.088 ( 4.292 -4.701 -6.642) 9.200 6.137 ( -4.883 9.133 13.090) 16.691 7.194 ( -2.649 3.862 -3.840) 6.056 7.218 ( -4.106 -0.453 5.693) 7.033 7.753 ( 2.278 3.283 -1.615) 4.310 8.268 ( -4.711 11.978 -1.642) 12.975 9.059 ( 10.198 3.223 4.569) 11.630 9.410 ( 5.054 -7.885 2.240) 9.630 9.501 ( 8.374 4.920 -6.095) 11.467 12.047 ( -30.130 4.556 -8.964) 31.764 21.367 ( 0.306 1.288 0.373) 1.375 21.424 ( 1.464 2.099 -0.078) 2.560 21.442 ( -1.683 0.853 -0.282) 1.908 21.518 ( -2.521 0.628 0.665) 2.682 24.164 ( 0.354 -0.305 -0.153) 0.492 24.190 ( -0.044 -0.267 -0.047) 0.275 32.582 ( 0.386 -0.161 0.017) 0.419 32.634 ( -0.017 0.254 0.541) 0.598 41.793 ( 13.658 -0.920 2.617) 13.936 42.512 ( -1.072 -3.069 11.837) 12.276 43.422 ( 7.352 -6.747 -7.892) 12.722 44.376 ( -7.240 1.640 8.377) 11.193 ======================= Grid point 288 (115/231) ======================= q-point: (-0.15 -0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.953 ( 8.773 -16.564 -15.910) 24.586 3.470 ( 5.420 -26.889 -3.121) 27.606 4.118 ( 2.382 -3.515 -0.242) 4.253 4.723 ( -4.489 -8.735 4.899) 10.975 5.011 ( 5.282 -0.168 0.787) 5.343 5.250 ( 8.929 -11.454 -6.777) 16.026 5.641 ( 1.621 -4.660 1.441) 5.140 5.839 ( 2.154 10.243 3.316) 10.980 6.037 ( 1.898 -3.272 -7.095) 8.041 6.280 ( -0.832 10.943 11.375) 15.806 7.142 ( -4.377 3.349 -5.542) 7.816 7.212 ( -1.033 -0.014 7.072) 7.147 7.809 ( 1.968 3.844 -2.833) 5.165 8.259 ( -9.104 10.988 -0.381) 14.274 9.192 ( 3.509 -6.163 1.927) 7.349 9.462 ( 5.635 -0.900 4.582) 7.319 9.705 ( 13.232 4.862 -9.787) 17.161 11.516 ( -33.941 5.805 -1.979) 34.490 21.383 ( 0.034 0.607 0.300) 0.678 21.417 ( -1.628 0.641 0.044) 1.750 21.473 ( 0.189 2.063 0.078) 2.073 21.485 ( -1.649 1.963 0.287) 2.579 24.166 ( 0.419 -0.353 -0.230) 0.594 24.186 ( -0.017 -0.257 0.016) 0.258 32.586 ( 0.305 -0.363 -0.022) 0.475 32.636 ( -0.359 0.142 0.651) 0.757 42.016 ( 13.323 -1.076 -1.955) 13.509 42.527 ( -0.915 -3.297 12.383) 12.847 43.460 ( 10.168 -6.563 -9.284) 15.253 44.309 ( -8.014 1.369 10.752) 13.479 ======================= Grid point 299 (116/231) ======================= q-point: (-0.31 -0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.026 ( -0.000 -20.534 -15.752) 25.880 3.638 ( 0.000 -25.794 -11.189) 28.116 3.900 ( 0.000 -5.093 0.795) 5.155 4.824 ( 0.000 -2.150 3.386) 4.011 4.905 ( -0.000 3.440 -4.623) 5.763 5.277 ( 0.000 -19.718 5.951) 20.596 5.581 ( -0.000 9.971 0.601) 9.989 5.821 ( 0.000 -5.297 -2.202) 5.737 5.942 ( 0.000 -1.378 3.741) 3.987 6.271 ( 0.000 2.177 8.057) 8.346 7.226 ( -0.000 0.138 -0.652) 0.667 7.319 ( 0.000 -0.542 0.726) 0.906 7.711 ( -0.000 6.308 -0.156) 6.310 8.345 ( -0.000 17.439 -3.170) 17.725 8.846 ( 0.000 3.774 4.677) 6.010 9.202 ( -0.000 -1.580 -4.971) 5.216 9.475 ( 0.000 -2.553 2.040) 3.268 12.590 ( -0.000 7.171 -11.735) 13.752 21.371 ( -0.000 2.455 1.046) 2.668 21.382 ( -0.000 1.108 -1.025) 1.509 21.477 ( -0.000 0.850 -0.634) 1.060 21.567 ( 0.000 0.777 1.323) 1.534 24.157 ( -0.000 -0.296 -0.145) 0.330 24.190 ( 0.000 -0.327 -0.111) 0.345 32.575 ( -0.000 0.049 0.006) 0.050 32.633 ( 0.000 0.378 0.537) 0.657 41.535 ( 0.000 -2.019 6.211) 6.531 42.529 ( 0.000 -4.190 12.196) 12.895 43.295 ( -0.000 -7.736 -7.754) 10.953 44.507 ( 0.000 1.693 7.984) 8.161 ======================= Grid point 300 (117/231) ======================= q-point: (-0.23 -0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.761 ( 2.928 -21.514 -17.059) 27.612 3.332 ( 1.949 -30.262 -10.801) 32.191 3.907 ( 6.438 -5.562 1.986) 8.737 4.782 ( -1.921 -1.746 4.106) 4.857 4.925 ( 2.814 -4.246 -8.457) 9.873 5.115 ( 0.092 -20.192 7.843) 21.662 5.609 ( 0.523 -4.927 -4.840) 6.926 5.811 ( -0.696 6.687 5.643) 8.778 5.920 ( 4.042 -7.873 -5.606) 10.476 6.369 ( -2.933 10.984 12.798) 17.118 7.216 ( -0.105 -1.673 1.371) 2.166 7.297 ( -2.794 1.031 -0.576) 3.034 7.771 ( 0.107 6.002 -1.218) 6.125 8.488 ( -4.136 21.062 -2.597) 21.620 8.971 ( 6.953 3.552 5.346) 9.463 9.228 ( 6.949 -0.642 -5.469) 8.867 9.466 ( 0.886 -0.947 1.816) 2.232 12.456 ( -17.655 7.883 -10.338) 21.925 21.386 ( -0.276 2.075 -0.034) 2.094 21.418 ( 1.544 2.477 0.222) 2.928 21.475 ( -1.075 1.325 -0.681) 1.837 21.565 ( -1.765 0.458 1.406) 2.302 24.155 ( 0.199 -0.353 -0.234) 0.468 24.186 ( 0.013 -0.382 -0.112) 0.398 32.577 ( 0.161 0.105 -0.011) 0.193 32.640 ( 0.033 0.328 0.686) 0.761 41.614 ( 8.154 -2.465 5.477) 10.127 42.546 ( -0.270 -5.414 12.890) 13.983 43.208 ( 4.290 -8.932 -8.292) 12.920 44.528 ( -4.112 0.480 9.491) 10.354 ======================= Grid point 301 (118/231) ======================= q-point: (-0.15 -0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.556 ( 7.584 -20.331 -17.034) 27.586 3.042 ( 6.410 -33.168 -6.669) 34.434 4.017 ( 8.804 -2.107 2.437) 9.375 4.725 ( -0.500 -12.576 -0.876) 12.617 4.867 ( 3.598 -6.473 -4.306) 8.567 5.011 ( 2.986 -12.744 6.029) 14.411 5.540 ( 2.792 -9.216 -0.408) 9.639 5.856 ( 4.532 -6.273 -8.047) 11.164 5.952 ( 0.747 9.229 1.860) 9.444 6.497 ( -3.036 12.577 11.748) 17.476 7.207 ( -1.510 0.636 -1.424) 2.171 7.249 ( -2.514 -1.227 2.865) 4.004 7.820 ( 0.566 6.141 -3.172) 6.935 8.556 ( -9.846 18.622 -0.487) 21.071 9.115 ( 3.180 -1.941 3.887) 5.384 9.330 ( 8.446 1.303 -4.421) 9.622 9.558 ( 8.126 3.978 -0.622) 9.068 12.091 ( -29.009 8.331 -4.631) 30.535 21.401 ( -0.533 1.868 0.379) 1.979 21.458 ( -1.837 1.392 -0.258) 2.319 21.477 ( 1.792 2.887 0.119) 3.400 21.537 ( -2.510 0.687 0.727) 2.702 24.154 ( 0.354 -0.410 -0.312) 0.625 24.183 ( 0.070 -0.381 -0.071) 0.393 32.581 ( 0.103 0.031 -0.010) 0.108 32.646 ( -0.139 0.228 0.779) 0.823 41.786 ( 12.092 -2.291 1.541) 12.403 42.555 ( 0.002 -6.151 13.175) 14.540 43.184 ( 8.485 -8.548 -9.289) 15.211 44.492 ( -6.368 -0.160 11.489) 13.136 ======================= Grid point 313 (119/231) ======================= q-point: (-0.23 -0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.428 ( -0.000 -23.713 -17.302) 29.354 2.968 ( 0.000 -31.088 -12.778) 33.612 3.782 ( 0.000 -11.242 4.083) 11.960 4.676 ( 0.000 -19.908 -0.586) 19.917 4.865 ( -0.000 -0.532 -8.080) 8.098 5.009 ( 0.000 -12.925 12.885) 18.250 5.488 ( -0.000 -11.183 -7.231) 13.317 5.754 ( -0.000 -10.649 -5.634) 12.047 5.946 ( 0.000 11.381 5.553) 12.663 6.565 ( 0.000 11.614 12.018) 16.712 7.199 ( 0.000 -3.244 2.570) 4.139 7.321 ( -0.000 1.059 -2.381) 2.606 7.830 ( -0.000 6.093 -0.418) 6.107 8.752 ( -0.000 27.964 -4.194) 28.277 8.975 ( 0.000 3.836 6.204) 7.294 9.139 ( -0.000 0.928 -5.357) 5.436 9.454 ( 0.000 -2.212 3.043) 3.762 12.641 ( -0.000 10.444 -10.377) 14.723 21.403 ( -0.000 2.301 -1.221) 2.605 21.439 ( 0.000 3.112 1.412) 3.418 21.493 ( -0.000 1.754 -0.987) 2.012 21.593 ( 0.000 0.122 1.920) 1.924 24.148 ( -0.000 -0.389 -0.349) 0.523 24.181 ( 0.000 -0.444 -0.149) 0.469 32.578 ( -0.000 0.345 -0.045) 0.348 32.647 ( 0.000 0.344 0.779) 0.852 41.547 ( 0.000 -3.813 6.791) 7.788 42.555 ( 0.000 -6.955 12.992) 14.736 43.034 ( -0.000 -10.460 -8.354) 13.387 44.614 ( 0.000 -0.677 10.758) 10.780 ======================= Grid point 314 (120/231) ======================= q-point: (-0.15 -0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( 5.080 -23.789 -16.585) 29.441 2.605 ( 1.965 -34.041 -10.571) 35.699 3.781 ( 13.044 -14.505 4.098) 19.933 4.453 ( 0.357 -24.405 -3.723) 24.690 4.845 ( 3.907 -1.298 -4.998) 6.476 4.931 ( -5.044 -10.203 10.699) 15.621 5.372 ( 3.959 -12.099 -3.480) 13.198 5.654 ( 3.597 -9.609 -8.154) 13.106 6.076 ( -0.775 11.198 4.000) 11.916 6.715 ( -2.158 11.691 10.243) 15.693 7.194 ( 1.097 -2.586 2.967) 4.085 7.296 ( -2.441 0.579 -2.400) 3.472 7.870 ( -0.990 5.696 -1.652) 6.013 8.905 ( -8.475 21.764 -2.777) 23.520 9.082 ( 3.719 2.273 5.816) 7.268 9.219 ( 6.440 7.972 -5.302) 11.539 9.479 ( 4.018 -0.393 2.656) 4.832 12.546 ( -17.497 11.152 -7.012) 21.902 21.429 ( 0.406 2.853 -0.592) 2.942 21.478 ( 0.628 2.901 0.773) 3.067 21.500 ( -0.892 2.036 -0.619) 2.308 21.584 ( -1.982 -0.107 1.623) 2.564 24.144 ( 0.196 -0.433 -0.449) 0.654 24.177 ( 0.075 -0.451 -0.138) 0.478 32.582 ( -0.012 0.446 -0.046) 0.448 32.654 ( -0.038 0.285 0.813) 0.862 41.607 ( 7.471 -3.960 4.846) 9.746 42.552 ( 0.231 -7.968 12.730) 15.020 42.932 ( 5.183 -10.289 -8.743) 14.463 44.630 ( -3.662 -1.418 12.436) 13.041 ======================= Grid point 327 (121/231) ======================= q-point: (-0.15 -0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( -0.000 -26.038 -15.066) 30.083 2.209 ( 0.000 -34.105 -13.499) 36.679 3.419 ( 0.000 -36.117 3.859) 36.322 4.271 ( 0.000 -15.385 1.923) 15.505 4.721 ( -0.000 -6.352 -7.100) 9.526 4.980 ( 0.000 -6.729 12.591) 14.277 5.173 ( -0.000 -12.152 -7.860) 14.473 5.494 ( -0.000 -9.412 -7.408) 11.978 6.210 ( -0.000 10.446 3.680) 11.076 6.890 ( 0.000 10.650 8.811) 13.822 7.175 ( 0.000 -2.161 2.873) 3.594 7.308 ( -0.000 0.866 -3.211) 3.326 7.924 ( -0.000 3.876 -0.122) 3.878 9.061 ( -0.000 4.593 1.929) 4.982 9.134 ( -0.000 3.590 -4.078) 5.433 9.312 ( -0.000 27.673 -1.758) 27.729 9.459 ( 0.000 -1.149 5.784) 5.897 12.772 ( -0.000 12.961 -7.640) 15.045 21.443 ( -0.000 3.111 -1.087) 3.295 21.512 ( 0.000 2.937 1.400) 3.254 21.522 ( -0.000 2.360 -1.098) 2.603 21.609 ( 0.000 -0.617 2.104) 2.192 24.135 ( -0.000 -0.440 -0.601) 0.745 24.171 ( 0.000 -0.462 -0.156) 0.488 32.588 ( -0.000 0.727 -0.069) 0.730 32.661 ( 0.000 0.273 0.752) 0.800 41.530 ( 0.000 -5.105 6.261) 8.078 42.532 ( 0.000 -8.855 11.578) 14.576 42.742 ( -0.000 -10.730 -8.140) 13.468 44.712 ( 0.000 -2.047 13.691) 13.844 ======================= Grid point 370 (122/231) ======================= q-point: ( 0.15 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( 0.000 -0.000 29.623) 29.623 0.940 ( 0.000 -0.000 29.623) 29.623 1.689 ( 0.000 -0.000 53.221) 53.221 3.976 ( -0.000 0.000 -9.554) 9.554 3.976 ( -0.000 0.000 -9.554) 9.554 5.016 ( 0.000 -0.000 11.786) 11.786 5.016 ( 0.000 -0.000 11.786) 11.786 5.612 ( 0.000 -0.000 3.774) 3.774 6.467 ( -0.000 0.000 -5.091) 5.091 6.975 ( -0.000 0.000 -12.493) 12.493 7.202 ( -0.000 0.000 -7.471) 7.471 7.202 ( -0.000 0.000 -7.471) 7.471 9.199 ( 0.000 0.000 1.315) 1.315 9.199 ( 0.000 -0.000 1.315) 1.315 9.413 ( 0.000 0.000 -0.466) 0.466 9.413 ( 0.000 -0.000 -0.466) 0.466 10.407 ( 0.000 -0.000 4.793) 4.793 11.707 ( -0.000 0.000 -5.499) 5.499 21.566 ( 0.000 0.000 0.048) 0.048 21.566 ( 0.000 -0.000 0.048) 0.048 21.598 ( 0.000 0.000 -0.191) 0.191 21.598 ( 0.000 -0.000 -0.191) 0.191 24.163 ( 0.000 -0.000 0.587) 0.587 24.291 ( -0.000 0.000 -0.332) 0.332 32.629 ( 0.000 -0.000 0.224) 0.224 32.671 ( -0.000 0.000 -0.216) 0.216 41.443 ( 0.000 0.000 3.325) 3.325 41.443 ( 0.000 -0.000 3.325) 3.325 42.242 ( -0.000 -0.000 -3.140) 3.140 42.242 ( -0.000 0.000 -3.140) 3.140 ======================= Grid point 371 (123/231) ======================= q-point: ( 0.23 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( 8.495 4.904 24.476) 26.369 1.489 ( 18.704 10.799 28.438) 35.710 2.292 ( 30.141 17.402 41.680) 54.300 3.971 ( 6.854 3.957 -11.376) 13.858 4.027 ( 6.541 3.776 -9.267) 11.955 4.950 ( -6.240 -3.602 8.972) 11.506 5.148 ( -0.062 -0.036 13.553) 13.553 5.590 ( -0.017 -0.010 10.347) 10.347 6.412 ( -2.246 -1.296 -5.626) 6.195 6.915 ( 0.632 0.365 -13.860) 13.879 7.062 ( -4.630 -2.673 -10.747) 12.003 7.223 ( 1.579 0.912 -5.802) 6.082 8.793 ( -21.734 -12.548 16.029) 29.779 9.247 ( -4.948 -2.857 0.557) 5.740 9.251 ( 0.859 0.496 2.413) 2.609 9.464 ( 2.349 1.356 0.382) 2.739 10.334 ( -8.160 -4.711 6.995) 11.735 12.084 ( 14.994 8.657 -24.827) 30.267 21.533 ( -2.375 -1.371 -0.223) 2.752 21.565 ( -1.820 -1.051 -0.611) 2.188 21.579 ( 0.881 0.509 0.080) 1.020 21.617 ( 0.563 0.325 -0.245) 0.694 24.167 ( 0.069 0.040 0.612) 0.617 24.229 ( -3.631 -2.096 1.852) 4.583 32.623 ( -0.632 -0.365 0.209) 0.759 32.654 ( -0.910 -0.525 -0.443) 1.140 41.595 ( 7.477 4.317 6.448) 10.776 42.125 ( -1.541 -0.890 -7.423) 7.634 42.384 ( 60.316 34.824 -38.166) 79.419 42.424 ( 11.752 6.785 -0.082) 13.571 ======================= Grid point 372 (124/231) ======================= q-point: ( 0.31 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( 19.915 11.498 16.318) 28.197 2.020 ( 16.712 9.648 29.599) 35.334 3.261 ( 38.895 22.456 26.803) 52.302 4.128 ( 11.820 6.824 -11.055) 17.564 4.151 ( 8.043 4.644 -7.063) 11.668 4.833 ( -7.414 -4.280 4.264) 9.564 5.173 ( -1.197 -0.691 8.642) 8.752 5.767 ( 8.157 4.709 15.617) 18.238 6.321 ( -3.254 -1.879 -5.073) 6.313 6.820 ( -3.989 -2.303 -14.967) 15.660 6.933 ( 0.224 0.129 -12.885) 12.887 7.218 ( 0.384 0.222 -3.326) 3.355 8.574 ( -8.428 -4.866 14.378) 17.362 9.136 ( -5.363 -3.097 -0.107) 6.194 9.212 ( -6.632 -3.829 0.086) 7.658 9.505 ( 0.924 0.533 1.356) 1.725 10.210 ( -5.829 -3.365 13.658) 15.227 11.983 ( -9.332 -5.388 -24.723) 26.969 21.468 ( -3.141 -1.813 -0.320) 3.641 21.515 ( -2.353 -1.358 -0.733) 2.814 21.597 ( 0.142 0.082 0.194) 0.254 21.618 ( 0.080 0.046 -0.625) 0.631 24.172 ( 0.090 0.052 0.499) 0.509 24.182 ( -1.563 -0.903 1.626) 2.429 32.606 ( -0.916 -0.529 0.132) 1.066 32.635 ( -0.486 -0.280 -0.964) 1.115 41.830 ( 9.980 5.762 9.268) 14.788 42.061 ( 0.352 0.203 -10.044) 10.053 42.741 ( 15.952 9.210 3.060) 18.672 43.196 ( 33.330 19.243 -42.609) 57.416 ======================= Grid point 373 (125/231) ======================= q-point: ( 0.38 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( 23.674 13.668 10.969) 29.455 2.538 ( 16.796 9.697 28.197) 34.222 4.186 ( 30.599 17.666 13.441) 37.803 4.290 ( 9.714 5.608 0.900) 11.252 4.314 ( 6.392 3.691 -4.687) 8.743 4.702 ( -2.397 -1.384 -4.840) 5.576 5.226 ( 3.479 2.009 3.075) 5.059 6.046 ( 8.683 5.013 17.005) 19.741 6.221 ( -3.495 -2.018 -5.383) 6.727 6.620 ( -6.078 -3.509 -14.451) 16.065 6.912 ( 3.299 1.905 -14.089) 14.595 7.213 ( 0.201 0.116 -0.537) 0.584 8.483 ( -6.969 -4.024 11.178) 13.773 8.937 ( -16.531 -9.544 -2.955) 19.315 9.020 ( -4.840 -2.794 -0.119) 5.590 9.524 ( -0.532 -0.307 3.099) 3.159 10.265 ( 2.280 1.316 20.973) 21.137 11.527 ( -19.018 -10.980 -23.783) 32.371 21.401 ( -2.758 -1.592 -0.179) 3.190 21.462 ( -1.988 -1.148 -0.630) 2.380 21.574 ( -2.040 -1.178 0.399) 2.389 21.621 ( 0.116 0.067 -1.100) 1.108 24.169 ( -0.377 -0.218 0.989) 1.080 24.176 ( 0.083 0.048 0.295) 0.311 32.588 ( -0.706 -0.408 0.076) 0.819 32.621 ( -0.267 -0.154 -1.138) 1.179 42.034 ( 2.286 1.320 -12.349) 12.628 42.116 ( 10.836 6.256 11.678) 17.115 43.133 ( 17.139 9.895 5.741) 20.606 43.509 ( 15.611 9.013 -34.994) 39.364 ======================= Grid point 374 (126/231) ======================= q-point: ( 0.46 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.626 ( 23.107 13.341 7.755) 27.786 3.044 ( 16.288 9.404 26.335) 32.362 4.254 ( -10.064 -5.810 3.058) 12.016 4.321 ( -0.189 -0.109 1.052) 1.074 4.775 ( 11.932 6.889 -12.891) 18.868 4.954 ( 26.248 15.154 7.611) 31.250 5.357 ( 7.448 4.300 1.126) 8.674 6.091 ( -5.007 -2.891 -11.346) 12.734 6.297 ( 5.909 3.411 16.447) 17.806 6.444 ( -3.964 -2.288 -7.977) 9.197 6.915 ( 3.530 2.038 -14.631) 15.188 7.229 ( 0.999 0.577 2.153) 2.443 8.363 ( -8.634 -4.985 8.173) 12.892 8.527 ( -18.163 -10.486 -2.984) 21.184 8.933 ( -2.866 -1.655 -0.211) 3.316 9.498 ( -3.507 -2.025 3.118) 5.111 10.493 ( 6.714 3.876 26.124) 27.250 10.963 ( -20.182 -11.652 -23.121) 32.828 21.350 ( -1.717 -0.991 -0.004) 1.982 21.429 ( -0.600 -0.347 -0.305) 0.757 21.520 ( -2.896 -1.672 0.306) 3.358 21.604 ( -1.116 -0.644 -1.204) 1.764 24.172 ( 0.142 0.082 0.598) 0.620 24.178 ( 0.044 0.026 0.079) 0.094 32.578 ( -0.168 -0.097 0.107) 0.222 32.610 ( -0.236 -0.136 -1.017) 1.052 42.026 ( 3.075 1.776 -13.767) 14.217 42.411 ( 9.747 5.627 13.557) 17.620 43.532 ( 15.811 9.129 7.422) 19.708 43.577 ( 6.667 3.849 -29.191) 30.189 ======================= Grid point 375 (127/231) ======================= q-point: ( 0.54 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.126 ( 18.171 10.491 6.021) 21.829 3.517 ( 14.444 8.339 24.754) 29.849 4.000 ( -12.668 -7.314 1.249) 14.681 4.266 ( -5.719 -3.302 2.946) 7.231 5.001 ( 13.094 7.560 -10.468) 18.390 5.384 ( 12.663 7.311 -8.307) 16.817 5.578 ( 10.030 5.791 8.597) 14.424 5.891 ( -5.691 -3.286 -16.834) 18.071 6.352 ( -3.173 -1.832 -1.405) 3.924 6.476 ( 3.198 1.846 15.757) 16.184 6.906 ( 2.245 1.296 -14.424) 14.655 7.281 ( 2.199 1.269 3.918) 4.669 8.148 ( -14.322 -8.269 -3.096) 16.825 8.204 ( -8.475 -4.893 5.273) 11.117 8.897 ( 0.023 0.013 -1.247) 1.248 9.403 ( -6.381 -3.684 2.824) 7.891 10.442 ( -16.242 -9.377 -20.920) 28.096 10.811 ( 8.924 5.152 29.207) 30.971 21.326 ( -0.439 -0.254 -0.069) 0.512 21.436 ( 1.224 0.707 0.171) 1.424 21.455 ( -3.033 -1.751 0.241) 3.511 21.562 ( -2.033 -1.174 -1.050) 2.571 24.178 ( -0.045 -0.026 -0.094) 0.108 24.179 ( 0.272 0.157 0.395) 0.505 32.582 ( 0.419 0.242 0.215) 0.530 32.600 ( -0.300 -0.173 -0.743) 0.820 42.018 ( 2.627 1.517 -14.277) 14.595 42.670 ( 6.916 3.993 14.764) 16.786 43.524 ( 1.685 0.973 -25.392) 25.467 43.892 ( 13.200 7.621 7.930) 17.181 ======================= Grid point 376 (128/231) ======================= q-point: ( 0.62 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.358 ( -4.347 -2.510 4.396) 6.673 3.833 ( 1.787 1.032 -0.343) 2.091 3.896 ( 4.912 2.836 22.874) 23.567 4.127 ( -5.013 -2.894 4.125) 7.108 5.191 ( 7.486 4.322 -10.393) 13.517 5.508 ( 3.657 2.112 -7.542) 8.644 5.717 ( -1.429 -0.825 -14.410) 14.504 5.794 ( 6.396 3.693 2.768) 7.887 6.255 ( -5.975 -3.450 0.714) 6.936 6.630 ( 4.036 2.330 15.143) 15.844 6.849 ( -1.015 -0.586 -14.028) 14.077 7.352 ( 2.022 1.167 3.969) 4.605 7.887 ( -7.369 -4.255 -4.283) 9.526 8.074 ( -4.633 -2.675 2.951) 6.110 8.920 ( 3.043 1.757 -3.363) 4.864 9.262 ( -7.388 -4.265 3.001) 9.043 10.047 ( -10.842 -6.260 -16.730) 20.895 11.179 ( 10.518 6.073 29.981) 32.347 21.330 ( 0.880 0.508 -0.360) 1.078 21.395 ( -2.405 -1.389 0.295) 2.793 21.480 ( 2.518 1.454 0.456) 2.944 21.510 ( -2.120 -1.224 -0.603) 2.521 24.175 ( -0.188 -0.108 -0.198) 0.293 24.186 ( 0.167 0.096 0.285) 0.344 32.589 ( -0.353 -0.204 -0.440) 0.600 32.598 ( 0.829 0.479 0.319) 1.009 41.987 ( 1.113 0.642 -13.947) 14.006 42.858 ( 2.991 1.727 15.173) 15.561 43.398 ( -1.618 -0.934 -22.588) 22.665 44.191 ( 10.401 6.005 7.427) 14.121 ======================= Grid point 377 (129/231) ======================= q-point: (-0.31 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.075 ( -18.545 -10.707 3.053) 21.631 3.738 ( -18.498 -10.680 9.634) 23.432 3.969 ( 6.335 3.657 -1.897) 7.557 4.311 ( 8.383 4.840 16.262) 18.925 5.177 ( -2.492 -1.439 -12.330) 12.661 5.506 ( -0.714 -0.412 -0.883) 1.208 5.683 ( 1.280 0.739 -8.669) 8.794 5.905 ( 4.227 2.441 -4.025) 6.326 6.094 ( -9.380 -5.416 2.505) 11.118 6.724 ( -2.524 -1.457 -14.564) 14.853 6.815 ( 5.985 3.455 13.355) 15.037 7.393 ( -0.184 -0.106 2.449) 2.458 7.783 ( -0.128 -0.074 -5.459) 5.461 8.062 ( 3.194 1.844 1.780) 4.095 8.984 ( 4.582 2.645 -5.815) 7.861 9.129 ( -5.882 -3.396 3.603) 7.689 9.785 ( -6.583 -3.801 -11.882) 14.105 11.580 ( 12.183 7.034 28.379) 31.675 21.358 ( -1.128 -0.651 0.502) 1.395 21.360 ( 1.981 1.144 -0.750) 2.407 21.470 ( -1.313 -0.758 0.024) 1.516 21.542 ( 2.740 1.582 0.265) 3.175 24.168 ( -0.358 -0.207 -0.225) 0.471 24.189 ( -0.050 -0.029 0.208) 0.216 32.580 ( -0.296 -0.171 -0.189) 0.390 32.619 ( 0.956 0.552 0.311) 1.147 41.919 ( -1.043 -0.602 -12.884) 12.940 42.956 ( -1.200 -0.693 14.708) 14.773 43.223 ( -4.202 -2.426 -20.044) 20.623 44.427 ( 7.979 4.606 6.053) 11.024 ======================= Grid point 378 (130/231) ======================= q-point: (-0.23 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.654 ( -21.108 -12.187 4.992) 24.880 3.312 ( -24.379 -14.075 9.430) 29.688 4.019 ( -0.260 -0.150 -5.895) 5.902 4.542 ( 5.147 2.972 15.163) 16.287 4.999 ( -9.140 -5.277 -7.157) 12.751 5.487 ( -2.844 -1.642 5.511) 6.415 5.559 ( -8.910 -5.144 -11.717) 15.593 5.877 ( -11.585 -6.689 4.975) 14.272 5.951 ( 3.600 2.078 -7.407) 8.493 6.657 ( 3.953 2.282 -13.474) 14.226 7.018 ( 6.200 3.579 10.912) 13.051 7.367 ( -2.567 -1.482 0.286) 2.978 7.800 ( 3.604 2.081 -5.506) 6.902 8.259 ( 14.130 8.158 1.896) 16.426 9.046 ( 4.061 2.345 -7.537) 8.877 9.055 ( -2.534 -1.463 4.222) 5.137 9.623 ( -3.749 -2.165 -8.025) 9.118 12.003 ( 13.680 7.898 24.339) 29.015 21.354 ( 0.475 0.274 0.798) 0.968 21.406 ( 2.643 1.526 -1.126) 3.253 21.457 ( 0.046 0.027 0.636) 0.638 21.595 ( 1.934 1.117 -0.405) 2.270 24.157 ( -0.509 -0.294 -0.159) 0.609 24.186 ( -0.266 -0.154 0.145) 0.340 32.576 ( -0.078 -0.045 -0.028) 0.094 32.641 ( 0.818 0.473 0.113) 0.952 41.809 ( -3.172 -1.832 -11.192) 11.776 42.960 ( -4.958 -2.863 13.352) 14.528 43.010 ( -6.308 -3.642 -17.384) 18.848 44.605 ( 5.945 3.432 3.465) 7.689 ======================= Grid point 379 (131/231) ======================= q-point: (-0.15 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( -22.190 -12.811 9.216) 27.230 2.784 ( -28.131 -16.241 10.773) 34.223 3.885 ( -9.445 -5.453 -8.919) 14.089 4.670 ( -19.338 -11.165 0.265) 22.332 4.693 ( 1.820 1.050 12.852) 13.023 5.237 ( -10.858 -6.269 -16.033) 20.353 5.384 ( -9.874 -5.701 6.674) 13.211 5.663 ( -10.278 -5.934 5.965) 13.282 6.038 ( 7.964 4.598 -6.021) 10.992 6.741 ( 8.511 4.914 -10.665) 14.503 7.169 ( 2.763 1.595 6.340) 7.098 7.305 ( -2.215 -1.279 -0.186) 2.564 7.860 ( 3.797 2.192 -4.126) 6.021 8.688 ( 22.655 13.080 3.646) 26.412 9.062 ( 1.010 0.583 4.448) 4.599 9.086 ( 3.631 2.096 -7.876) 8.922 9.525 ( -2.132 -1.231 -6.012) 6.496 12.420 ( 13.962 8.061 17.704) 23.944 21.385 ( 1.916 1.106 1.042) 2.446 21.460 ( 2.809 1.622 -1.379) 3.524 21.478 ( 1.364 0.788 1.033) 1.884 21.618 ( 0.593 0.342 -1.316) 1.483 24.145 ( -0.566 -0.327 0.057) 0.656 24.179 ( -0.397 -0.229 0.117) 0.473 32.578 ( 0.271 0.157 0.045) 0.316 32.655 ( 0.529 0.305 -0.276) 0.670 41.670 ( -4.502 -2.599 -8.956) 10.356 42.772 ( -7.678 -4.433 -14.524) 17.016 42.882 ( -7.781 -4.492 11.133) 14.306 44.717 ( 3.583 2.068 -1.802) 4.512 ======================= Grid point 384 (132/231) ======================= q-point: ( 0.23 0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( 0.000 19.782 23.130) 30.435 1.579 ( 0.000 22.416 25.554) 33.993 2.463 ( 0.000 22.804 45.876) 51.231 3.825 ( -0.000 -0.177 -12.365) 12.366 4.046 ( -0.000 14.819 -10.629) 18.237 4.989 ( 0.000 -8.806 10.275) 13.533 5.278 ( 0.000 5.900 16.421) 17.449 5.609 ( 0.000 -2.993 8.193) 8.723 6.374 ( -0.000 -3.237 -6.726) 7.464 6.845 ( -0.000 1.894 -15.132) 15.250 6.986 ( -0.000 -7.841 -11.907) 14.257 7.206 ( -0.000 4.475 -7.126) 8.415 8.867 ( 0.000 -32.681 17.149) 36.907 9.141 ( 0.000 -4.062 0.093) 4.063 9.328 ( 0.000 -1.401 2.435) 2.809 9.359 ( -0.000 -2.003 -2.127) 2.922 10.347 ( 0.000 -12.594 7.153) 14.484 12.148 ( -0.000 35.150 -22.864) 41.932 21.546 ( -0.000 -0.970 -0.497) 1.090 21.562 ( 0.000 -1.153 0.511) 1.261 21.571 ( -0.000 -1.649 -0.907) 1.882 21.605 ( 0.000 -0.293 0.177) 0.342 24.170 ( 0.000 0.059 0.690) 0.693 24.237 ( 0.000 -3.777 1.314) 3.999 32.624 ( 0.000 -0.724 0.227) 0.758 32.652 ( 0.000 -1.134 -0.360) 1.190 41.401 ( 0.000 -2.533 1.699) 3.051 42.120 ( -0.000 -0.973 -6.489) 6.561 42.344 ( -0.000 32.879 -9.810) 34.311 42.465 ( -0.000 49.238 -15.377) 51.584 ======================= Grid point 385 (133/231) ======================= q-point: ( 0.31 0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( -0.544 24.767 19.722) 31.665 2.062 ( 11.983 18.256 26.485) 34.327 3.132 ( 23.585 26.172 34.619) 49.393 3.843 ( 8.646 1.455 -12.182) 15.009 4.191 ( 4.265 18.866 -10.802) 22.155 4.913 ( -4.945 -8.177 7.946) 12.428 5.323 ( -7.912 2.956 12.929) 15.444 5.737 ( 9.018 2.556 12.934) 15.974 6.293 ( -0.910 -4.570 -6.445) 7.953 6.768 ( -2.633 -1.673 -15.687) 15.994 6.845 ( 0.896 -3.290 -13.855) 14.269 7.213 ( -0.106 3.921 -5.869) 7.059 8.631 ( -3.876 -19.409 15.392) 25.073 9.143 ( 1.317 -5.886 -0.140) 6.033 9.274 ( -4.083 -1.384 1.916) 4.717 9.388 ( 5.426 -5.487 -2.163) 8.014 10.237 ( -0.393 -14.803 11.276) 18.613 12.176 ( -15.971 19.983 -22.280) 33.923 21.506 ( -2.914 -1.083 -0.680) 3.182 21.529 ( -1.599 -1.834 -0.638) 2.515 21.571 ( 1.704 -1.406 0.164) 2.215 21.607 ( 0.418 -1.068 0.034) 1.148 24.175 ( 0.004 0.056 0.614) 0.617 24.201 ( -1.204 -2.136 1.434) 2.841 32.613 ( -0.539 -0.857 0.162) 1.025 32.635 ( -0.489 -0.658 -0.671) 1.059 41.573 ( 18.938 -5.201 2.715) 19.826 42.057 ( -2.680 2.520 -8.313) 9.090 42.599 ( 11.851 12.640 -0.312) 17.330 43.000 ( 10.380 50.226 -29.581) 59.206 ======================= Grid point 386 (134/231) ======================= q-point: ( 0.38 0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.036 ( 9.525 24.934 15.263) 30.748 2.559 ( 12.407 15.083 27.530) 33.754 3.932 ( 25.241 5.356 6.972) 26.729 4.030 ( 17.781 19.091 5.543) 26.671 4.396 ( 3.966 18.413 -8.297) 20.582 4.761 ( -7.972 -6.872 3.548) 11.107 5.296 ( -4.792 4.183 7.946) 10.178 6.013 ( 10.692 3.383 14.967) 18.702 6.195 ( -1.363 -5.413 -6.165) 8.316 6.572 ( -4.003 -7.086 -15.031) 17.093 6.815 ( 2.372 3.837 -14.906) 15.574 7.218 ( -0.228 3.170 -3.590) 4.795 8.510 ( -1.249 -14.944 12.159) 19.306 9.047 ( -7.292 -7.424 -2.633) 10.734 9.106 ( -10.174 -4.364 0.616) 11.088 9.433 ( 7.698 -6.492 -1.385) 10.164 10.252 ( 7.382 -9.560 18.801) 22.346 11.819 ( -29.086 9.874 -20.025) 36.667 21.439 ( -3.274 -1.025 -0.420) 3.456 21.479 ( -2.027 -1.534 -0.662) 2.626 21.582 ( 0.400 -1.706 0.190) 1.762 21.596 ( 0.401 -1.617 -0.496) 1.738 24.178 ( -0.083 -0.052 0.490) 0.499 24.179 ( -0.536 -0.707 0.966) 1.312 32.595 ( -0.672 -0.646 0.086) 0.936 32.620 ( -0.365 -0.205 -0.942) 1.031 41.870 ( 18.617 -4.966 3.359) 19.559 42.020 ( 1.174 4.338 -8.323) 9.459 42.957 ( 16.466 11.168 1.981) 19.995 43.365 ( 5.500 31.121 -27.725) 42.041 ======================= Grid point 387 (135/231) ======================= q-point: ( 0.46 0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.537 ( 14.252 23.101 11.437) 29.455 3.043 ( 13.109 13.029 26.394) 32.222 4.158 ( 12.037 -2.545 -3.337) 12.748 4.475 ( -9.069 4.130 3.001) 10.407 4.640 ( 4.368 6.261 -10.365) 12.873 4.753 ( 22.902 18.146 12.461) 31.766 5.345 ( 1.124 6.501 3.888) 7.658 6.057 ( -3.471 -6.495 -11.311) 13.497 6.274 ( 8.355 0.230 12.194) 14.783 6.402 ( -0.342 -5.271 -6.766) 8.584 6.820 ( 2.111 5.053 -14.712) 15.698 7.233 ( 0.426 2.384 -1.040) 2.636 8.398 ( -2.532 -14.441 9.125) 17.269 8.692 ( -16.736 -12.293 -3.338) 21.032 8.992 ( -4.831 0.126 0.132) 4.835 9.473 ( 4.497 -5.614 -1.446) 7.337 10.464 ( 12.231 -5.475 24.649) 28.057 11.263 ( -33.382 5.221 -18.495) 38.519 21.382 ( -2.649 -0.391 -0.083) 2.679 21.435 ( -1.186 -1.071 -0.420) 1.653 21.546 ( -2.085 -1.921 0.160) 2.839 21.588 ( 0.588 -2.144 -0.925) 2.408 24.174 ( -0.026 -0.191 0.653) 0.680 24.179 ( -0.046 0.072 0.182) 0.201 32.582 ( -0.376 -0.202 0.088) 0.436 32.609 ( -0.264 0.037 -0.958) 0.995 41.959 ( 0.847 4.215 -10.986) 11.797 42.238 ( 18.979 -3.297 6.687) 20.391 43.332 ( 14.637 9.361 -1.765) 17.464 43.529 ( 2.425 19.419 -17.757) 26.425 ======================= Grid point 388 (136/231) ======================= q-point: ( 0.54 0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.033 ( 14.098 19.191 9.006) 25.459 3.506 ( 13.093 10.955 24.379) 29.762 4.157 ( -10.037 -6.276 5.213) 12.935 4.362 ( -4.021 2.493 0.271) 4.739 4.800 ( 11.580 8.273 -11.363) 18.212 5.230 ( 12.648 10.922 -2.513) 16.898 5.515 ( 8.752 6.489 7.329) 13.131 5.842 ( -5.135 -6.839 -16.370) 18.469 6.305 ( 2.354 -6.959 -1.471) 7.492 6.494 ( 5.453 0.054 11.493) 12.721 6.821 ( 1.197 4.238 -13.095) 13.816 7.270 ( 1.946 1.372 1.179) 2.657 8.241 ( -6.116 -13.263 4.601) 15.313 8.304 ( -13.606 -9.549 -1.578) 16.697 8.938 ( -3.232 2.974 -0.821) 4.469 9.453 ( -0.311 -4.107 -1.500) 4.384 10.674 ( -29.559 2.612 -16.005) 33.715 10.780 ( 13.413 -3.768 27.530) 30.855 21.345 ( -1.699 0.308 0.005) 1.726 21.422 ( 0.654 -0.315 0.062) 0.729 21.487 ( -2.766 -1.892 0.062) 3.352 21.561 ( -0.577 -2.439 -0.989) 2.694 24.178 ( 0.229 0.052 0.391) 0.456 24.179 ( -0.083 0.069 0.009) 0.108 32.581 ( 0.129 0.274 0.177) 0.350 32.601 ( -0.298 0.136 -0.778) 0.844 41.953 ( 0.401 5.024 -12.304) 13.296 42.541 ( 16.749 -4.165 8.255) 19.132 43.459 ( -1.692 11.107 -18.938) 22.019 43.778 ( 13.300 8.642 4.349) 16.447 ======================= Grid point 389 (137/231) ======================= q-point: ( 0.62 0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.395 ( 4.825 7.503 8.188) 12.108 3.913 ( 3.237 5.840 11.742) 13.507 3.939 ( -2.936 1.877 13.009) 13.468 4.288 ( -10.095 2.723 3.249) 10.949 5.019 ( 12.077 5.307 -10.503) 16.862 5.413 ( 5.926 5.875 -8.956) 12.241 5.632 ( -1.807 -5.391 -15.061) 16.099 5.741 ( 6.819 2.185 6.286) 9.529 6.260 ( -0.130 -6.527 -0.215) 6.532 6.619 ( 5.184 -2.461 6.789) 8.890 6.801 ( -0.586 2.455 -7.682) 8.086 7.329 ( 3.079 -0.121 2.089) 3.723 7.968 ( -10.577 -6.444 -3.088) 12.765 8.116 ( -4.256 -7.536 3.320) 9.270 8.936 ( -1.293 6.299 -2.896) 7.053 9.378 ( -4.864 -1.427 -0.166) 5.071 10.176 ( -21.963 0.361 -13.944) 26.018 11.135 ( 15.169 -3.720 29.260) 33.167 21.332 ( -0.470 0.902 -0.196) 1.036 21.426 ( -2.598 -1.434 0.100) 2.969 21.450 ( 2.306 0.253 0.434) 2.360 21.517 ( -1.181 -2.302 -0.719) 2.685 24.177 ( -0.201 0.020 -0.144) 0.249 24.185 ( 0.245 0.093 0.289) 0.391 32.592 ( 0.101 0.344 -0.131) 0.382 32.594 ( 0.077 0.419 -0.111) 0.440 41.936 ( -0.441 4.637 -12.251) 13.107 42.781 ( 12.505 -5.209 7.325) 15.400 43.390 ( -6.148 8.544 -15.801) 18.986 44.085 ( 12.550 4.945 5.308) 14.496 ======================= Grid point 390 (138/231) ======================= q-point: (-0.31 0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.296 ( -16.033 -8.690 6.787) 19.459 3.946 ( 1.849 8.031 0.860) 8.286 4.026 ( -16.451 -2.575 9.945) 19.395 4.324 ( 7.122 8.788 13.860) 17.890 5.115 ( 2.076 0.814 -11.616) 11.828 5.457 ( 2.189 -0.988 -4.919) 5.474 5.590 ( 5.975 0.844 -9.708) 11.430 5.848 ( 3.372 0.208 1.266) 3.608 6.164 ( -4.363 -5.820 0.240) 7.278 6.626 ( 0.875 -5.882 -10.938) 12.450 6.837 ( 2.969 2.798 9.028) 9.907 7.377 ( 2.439 -1.764 1.043) 3.186 7.788 ( -4.720 -1.058 -3.854) 6.185 8.045 ( 0.323 -2.223 2.303) 3.217 8.978 ( 0.093 8.589 -5.476) 10.187 9.276 ( -8.189 2.196 2.131) 8.742 9.824 ( -11.920 -2.507 -10.598) 16.146 11.506 ( 16.368 -4.046 27.740) 32.462 21.344 ( 0.723 1.179 -0.542) 1.485 21.381 ( -1.686 -0.277 0.315) 1.737 21.474 ( -0.609 -1.879 -0.298) 1.998 21.504 ( 2.840 0.303 0.445) 2.890 24.171 ( -0.346 -0.044 -0.186) 0.395 24.190 ( 0.067 0.020 0.209) 0.220 32.585 ( -0.439 0.137 -0.269) 0.533 32.613 ( 0.790 0.725 0.269) 1.106 41.895 ( -2.125 3.811 -11.372) 12.180 42.918 ( 7.426 -6.305 2.229) 9.994 43.272 ( -8.709 6.294 -8.459) 13.676 44.335 ( 10.469 2.661 3.911) 11.488 ======================= Grid point 391 (139/231) ======================= q-point: (-0.23 0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.929 ( -20.658 -10.024 7.788) 24.246 3.668 ( -24.927 -7.248 8.930) 27.452 4.022 ( -0.954 4.288 -3.182) 5.424 4.578 ( 5.355 6.013 13.516) 15.733 5.027 ( -4.436 -2.012 -8.240) 9.572 5.455 ( 0.948 -5.696 0.300) 5.782 5.611 ( -1.038 1.242 -7.081) 7.264 5.881 ( 1.666 -0.300 -3.794) 4.154 6.014 ( -8.576 -5.002 2.910) 10.346 6.521 ( 2.796 -3.042 -13.927) 14.527 6.998 ( 6.425 2.592 9.679) 11.903 7.378 ( -0.214 -2.177 -0.925) 2.375 7.739 ( 0.876 0.741 -3.764) 3.935 8.136 ( 8.986 3.997 2.200) 10.078 9.031 ( 0.140 8.240 -6.708) 10.626 9.186 ( -8.290 5.215 3.344) 10.349 9.618 ( -4.470 -3.307 -7.234) 9.124 11.881 ( 17.968 -4.809 23.633) 30.075 21.358 ( 0.214 0.403 0.172) 0.487 21.385 ( 1.141 2.006 -0.467) 2.354 21.453 ( 0.137 -1.079 0.313) 1.132 21.555 ( 2.886 -0.376 -0.151) 2.914 24.163 ( -0.495 -0.101 -0.132) 0.522 24.190 ( -0.173 -0.082 0.146) 0.241 32.579 ( -0.332 0.149 -0.088) 0.374 32.633 ( 0.749 0.607 0.069) 0.967 41.820 ( -4.243 3.075 -9.804) 11.117 42.913 ( 0.830 -5.605 -9.510) 11.070 43.155 ( -9.248 3.010 4.738) 10.818 44.520 ( 8.307 0.945 1.253) 8.454 ======================= Grid point 392 (140/231) ======================= q-point: (-0.15 0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.532 ( -22.151 -9.248 11.472) 26.604 3.177 ( -29.195 -11.461 9.270) 32.705 3.968 ( -6.374 2.397 -5.780) 8.932 4.744 ( -0.059 1.643 13.001) 13.105 4.847 ( -9.255 -4.377 -3.503) 10.821 5.256 ( -11.631 -11.095 -8.914) 18.381 5.547 ( -7.379 0.018 2.440) 7.772 5.821 ( -10.645 -4.236 5.501) 12.709 5.917 ( 6.220 2.776 -6.202) 9.212 6.563 ( 9.803 2.137 -11.846) 15.524 7.161 ( 4.654 1.441 6.737) 8.314 7.324 ( -2.337 -1.976 -2.189) 3.763 7.778 ( 4.466 0.733 -2.192) 5.028 8.446 ( 19.787 8.042 2.571) 21.513 9.066 ( -0.433 6.697 -5.986) 8.993 9.148 ( -4.550 5.760 3.745) 8.241 9.521 ( -1.856 -0.634 -4.968) 5.341 12.242 ( 19.221 -6.337 16.834) 26.325 21.380 ( 1.242 1.424 0.643) 1.996 21.429 ( 2.027 2.056 -0.947) 3.039 21.463 ( 1.411 -0.141 0.753) 1.606 21.584 ( 1.957 -1.363 -1.010) 2.590 24.153 ( -0.581 -0.115 0.049) 0.594 24.184 ( -0.362 -0.154 0.112) 0.409 32.577 ( -0.036 0.186 0.010) 0.189 32.648 ( 0.528 0.357 -0.327) 0.717 41.716 ( -6.136 3.072 -7.620) 10.254 42.762 ( -4.999 -3.936 -14.277) 15.630 43.060 ( -9.473 -0.254 10.248) 13.958 44.633 ( 5.665 -0.889 -3.463) 6.699 ======================= Grid point 398 (141/231) ======================= q-point: ( 0.31 0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( 0.000 24.728 19.699) 31.615 2.281 ( 0.000 25.537 21.378) 33.304 3.339 ( 0.000 19.399 30.977) 36.550 3.785 ( -0.000 13.548 -8.605) 16.050 4.279 ( -0.000 20.350 -11.564) 23.406 4.919 ( 0.000 -8.408 8.674) 12.081 5.546 ( 0.000 3.943 15.581) 16.072 5.690 ( 0.000 1.754 8.518) 8.697 6.210 ( -0.000 -6.686 -6.496) 9.322 6.666 ( -0.000 -10.764 -15.057) 18.509 6.759 ( -0.000 6.368 -14.895) 16.199 7.226 ( -0.000 4.978 -6.425) 8.128 8.529 ( 0.000 -22.279 15.779) 27.301 9.048 ( 0.000 -5.197 -0.981) 5.289 9.289 ( -0.000 -2.271 -4.013) 4.611 9.340 ( 0.000 -1.049 3.994) 4.130 10.100 ( 0.000 -22.286 10.903) 24.810 12.420 ( -0.000 19.179 -20.726) 28.238 21.514 ( -0.000 -2.335 -1.328) 2.686 21.527 ( -0.000 -0.788 -1.070) 1.329 21.537 ( 0.000 -2.190 1.045) 2.427 21.591 ( 0.000 -1.446 0.403) 1.501 24.178 ( 0.000 0.042 0.592) 0.594 24.196 ( 0.000 -2.057 1.198) 2.380 32.609 ( 0.000 -1.038 0.135) 1.047 32.629 ( -0.000 -0.680 -0.668) 0.953 41.382 ( 0.000 -0.729 0.511) 0.890 42.077 ( -0.000 3.820 -6.951) 7.931 42.628 ( -0.000 15.115 -0.711) 15.132 43.270 ( -0.000 45.469 -24.231) 51.523 ======================= Grid point 399 (142/231) ======================= q-point: ( 0.38 0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( -1.085 27.588 17.248) 32.555 2.702 ( 7.181 21.670 22.954) 32.373 3.660 ( 12.629 3.604 -0.266) 13.136 4.086 ( 10.659 28.402 14.878) 33.788 4.446 ( 4.049 18.824 -11.784) 22.574 4.840 ( -5.656 -7.240 7.526) 11.877 5.513 ( -9.632 4.625 9.813) 14.508 5.912 ( 11.699 1.840 9.534) 15.203 6.109 ( 0.325 -7.775 -5.321) 9.427 6.460 ( -2.106 -10.675 -15.332) 18.801 6.770 ( 0.998 8.338 -12.817) 15.323 7.238 ( -0.327 4.647 -5.433) 7.157 8.414 ( 0.413 -18.546 12.967) 22.634 9.016 ( 1.187 -6.739 -2.236) 7.199 9.230 ( -5.920 -8.226 -0.791) 10.165 9.272 ( -1.768 -0.760 -0.499) 1.988 10.047 ( 11.085 -18.644 15.603) 26.719 12.292 ( -21.351 13.991 -17.940) 31.200 21.466 ( -1.784 -2.345 -0.867) 3.072 21.497 ( -1.995 -0.502 -1.129) 2.347 21.537 ( 1.604 -2.545 0.691) 3.087 21.581 ( 0.114 -1.779 0.211) 1.795 24.181 ( -0.080 -0.082 0.493) 0.506 24.182 ( -0.289 -1.038 0.876) 1.388 32.597 ( -0.313 -0.862 0.069) 0.919 32.618 ( -0.232 -0.306 -0.801) 0.889 41.520 ( 15.879 -2.136 0.660) 16.035 42.057 ( -3.067 5.998 -7.334) 9.959 42.863 ( 10.292 14.367 0.624) 17.684 43.528 ( -0.594 33.154 -21.253) 39.385 ======================= Grid point 400 (143/231) ======================= q-point: ( 0.46 0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.704 ( 4.496 28.133 14.507) 31.971 3.140 ( 8.526 17.374 23.990) 30.823 3.889 ( 15.147 3.389 -7.104) 17.070 4.600 ( 4.767 13.977 -10.656) 18.211 4.649 ( 4.291 7.914 6.703) 11.224 4.711 ( 1.809 8.859 13.507) 16.254 5.481 ( -5.878 6.896 5.874) 10.799 5.960 ( -0.257 -9.346 -9.337) 13.213 6.176 ( 7.150 -0.611 4.438) 8.437 6.281 ( 2.927 -8.383 -7.157) 11.405 6.805 ( 0.098 8.930 -9.715) 13.196 7.248 ( -0.242 3.492 -3.692) 5.088 8.311 ( -0.015 -17.029 9.971) 19.734 8.800 ( -13.107 -13.497 -3.624) 19.159 9.076 ( -4.048 -1.346 1.445) 4.504 9.286 ( 6.193 -4.848 -4.380) 9.002 10.244 ( 17.777 -13.025 20.985) 30.431 11.852 ( -34.551 11.428 -15.144) 39.418 21.414 ( -1.771 -1.363 -0.363) 2.264 21.449 ( -2.254 -0.567 -0.874) 2.483 21.539 ( 1.260 -2.829 0.196) 3.103 21.557 ( -0.850 -2.024 -0.082) 2.197 24.175 ( -0.074 -0.463 0.632) 0.787 24.182 ( -0.086 0.089 0.227) 0.259 32.586 ( -0.266 -0.399 0.052) 0.482 32.609 ( -0.202 0.068 -0.853) 0.879 41.809 ( 19.919 -3.309 0.993) 20.217 42.035 ( -1.081 6.732 -8.155) 10.630 43.203 ( 13.831 11.780 2.362) 18.321 43.659 ( -3.247 22.850 -17.069) 28.706 ======================= Grid point 401 (144/231) ======================= q-point: ( 0.54 0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.127 ( 6.920 24.685 12.297) 28.434 3.559 ( 9.488 14.230 22.412) 28.192 4.145 ( 12.171 3.871 -0.909) 12.804 4.466 ( -9.708 -2.885 -0.220) 10.130 4.726 ( 2.453 9.546 -7.512) 12.393 5.149 ( 11.474 13.050 2.975) 17.630 5.518 ( 1.338 5.224 3.862) 6.633 5.780 ( -4.795 -6.728 -11.443) 14.114 6.151 ( 4.424 -9.902 -2.696) 11.176 6.402 ( 8.635 -1.185 2.071) 8.959 6.834 ( -1.406 7.057 -4.679) 8.583 7.260 ( 0.683 1.433 -1.822) 2.416 8.190 ( -1.481 -14.954 7.031) 16.591 8.424 ( -13.996 -11.734 -3.096) 18.525 9.031 ( -3.629 3.912 -0.250) 5.342 9.314 ( 6.507 -6.423 -5.301) 10.569 10.560 ( 19.719 -11.627 24.705) 33.680 11.266 ( -39.098 10.263 -12.716) 42.375 21.380 ( -1.683 0.127 -0.008) 1.688 21.413 ( -0.632 -0.748 -0.404) 1.059 21.508 ( -1.996 -1.996 -0.005) 2.822 21.529 ( 0.479 -3.031 -0.459) 3.103 24.176 ( 0.210 -0.090 0.407) 0.467 24.182 ( -0.137 0.124 0.035) 0.188 32.583 ( 0.067 0.138 0.122) 0.196 32.603 ( -0.203 0.306 -0.753) 0.838 41.971 ( -0.610 6.809 -7.203) 9.931 42.188 ( 20.238 -3.836 -0.551) 20.605 43.511 ( 6.627 10.820 -1.162) 12.742 43.723 ( 1.495 13.228 -8.057) 15.560 ======================= Grid point 402 (145/231) ======================= q-point: ( 0.62 0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.475 ( 3.306 13.291 11.651) 17.981 3.949 ( 9.363 12.291 18.567) 24.155 4.150 ( -12.254 0.028 5.581) 13.465 4.451 ( 1.134 8.074 -1.113) 8.228 4.829 ( 8.094 5.557 -8.906) 13.255 5.327 ( 5.917 5.149 -10.953) 13.472 5.562 ( -4.340 -4.541 -8.703) 10.733 5.686 ( 4.937 1.758 6.478) 8.332 6.138 ( 5.208 -9.647 0.508) 10.974 6.497 ( 5.932 -2.412 -5.401) 8.377 6.844 ( -2.283 3.224 2.242) 4.542 7.280 ( 2.295 -1.300 -0.600) 2.705 8.044 ( -5.988 -9.537 2.268) 11.487 8.132 ( -7.397 -7.365 -0.544) 10.452 9.027 ( -2.796 7.998 -2.770) 8.914 9.324 ( 4.706 -5.168 -4.131) 8.119 10.664 ( -36.654 8.655 -10.073) 38.985 10.912 ( 19.984 -12.048 25.920) 34.876 21.358 ( -1.463 1.015 -0.154) 1.787 21.416 ( 1.566 -0.603 0.225) 1.693 21.454 ( -2.334 -1.507 -0.065) 2.779 21.500 ( -0.219 -2.886 -0.494) 2.936 24.180 ( -0.201 0.124 -0.078) 0.249 24.183 ( 0.296 0.040 0.257) 0.395 32.592 ( 0.441 0.536 0.204) 0.724 32.599 ( -0.302 0.409 -0.538) 0.740 41.968 ( -2.653 7.936 -8.509) 11.934 42.473 ( 18.884 -5.387 -0.538) 19.644 43.554 ( -7.644 11.339 -6.804) 15.274 43.938 ( 12.587 4.368 2.225) 13.508 ======================= Grid point 403 (146/231) ======================= q-point: (-0.31 0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.503 ( -11.829 -5.109 10.255) 16.468 4.057 ( -4.544 6.500 2.528) 8.325 4.246 ( 0.364 7.457 11.796) 13.960 4.462 ( -7.131 11.303 5.271) 14.366 4.995 ( 9.175 3.961 -7.772) 12.660 5.403 ( 2.187 -5.915 -8.640) 10.697 5.431 ( 3.427 5.046 -6.964) 9.257 5.792 ( 4.199 -1.974 3.600) 5.873 6.123 ( 2.011 -7.216 0.753) 7.529 6.487 ( 2.245 -4.690 -11.848) 12.939 6.867 ( 0.387 0.759 7.925) 7.971 7.299 ( 3.317 -3.683 -1.150) 5.088 7.870 ( -7.346 -1.001 -1.763) 7.621 8.026 ( -0.482 -4.669 2.477) 5.307 9.057 ( -1.715 10.125 -5.512) 11.655 9.338 ( 2.358 -0.806 -1.402) 2.859 10.135 ( -29.721 5.538 -7.633) 31.181 11.256 ( 20.292 -13.450 24.818) 34.765 21.352 ( -0.487 1.346 -0.382) 1.482 21.406 ( -1.618 -0.659 0.077) 1.748 21.446 ( 1.667 -1.144 -0.035) 2.022 21.472 ( 0.546 -1.701 0.148) 1.792 24.176 ( -0.331 0.095 -0.131) 0.368 24.189 ( 0.213 0.022 0.181) 0.280 32.594 ( -0.460 0.393 -0.323) 0.686 32.609 ( 0.685 0.691 0.220) 0.998 41.947 ( -3.720 7.621 -7.936) 11.615 42.680 ( 13.251 -5.139 -3.823) 14.718 43.475 ( -9.830 8.090 -1.918) 12.874 44.180 ( 12.023 1.044 1.824) 12.205 ======================= Grid point 404 (147/231) ======================= q-point: (-0.23 0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.215 ( -18.900 -8.030 9.627) 22.680 4.004 ( -11.915 -5.196 3.449) 13.449 4.147 ( -12.905 7.304 2.110) 14.978 4.626 ( 3.554 11.081 7.131) 13.648 5.053 ( -2.422 1.416 -2.333) 3.649 5.358 ( 4.090 -6.229 -1.408) 7.583 5.544 ( 5.843 3.984 -7.014) 9.961 5.834 ( 2.371 -2.765 0.200) 3.648 6.078 ( -2.180 -3.231 1.934) 4.352 6.380 ( 0.432 -4.915 -14.330) 15.156 6.962 ( 5.016 0.423 8.472) 9.855 7.310 ( 3.490 -3.501 -2.903) 5.733 7.769 ( -4.397 1.541 -1.861) 5.017 8.055 ( 5.224 0.336 2.793) 5.933 9.098 ( -1.271 9.568 -5.927) 11.326 9.374 ( -1.336 6.378 0.726) 6.557 9.725 ( -18.997 0.673 -5.604) 19.818 11.577 ( 20.895 -15.382 20.901) 33.318 21.358 ( 0.047 0.946 -0.450) 1.048 21.395 ( 0.005 1.332 0.131) 1.338 21.436 ( 0.287 -1.726 -0.050) 1.751 21.500 ( 2.756 -1.126 0.199) 2.983 24.170 ( -0.460 0.061 -0.089) 0.473 24.191 ( -0.006 -0.054 0.113) 0.125 32.588 ( -0.513 0.324 -0.143) 0.624 32.628 ( 0.685 0.570 0.049) 0.892 41.906 ( -5.312 7.295 -6.496) 11.119 42.762 ( 5.966 -4.045 -9.059) 11.577 43.378 ( -10.076 4.912 4.673) 12.145 44.367 ( 10.230 -1.142 -0.629) 10.313 ======================= Grid point 405 (148/231) ======================= q-point: (-0.15 0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.874 ( -20.610 -6.397 12.415) 24.896 3.602 ( -27.670 -8.649 5.655) 29.537 4.074 ( -5.421 4.190 -1.937) 7.120 4.783 ( 2.572 6.110 0.313) 6.636 4.955 ( -7.949 -3.011 4.674) 9.701 5.292 ( -6.126 -7.752 -2.269) 10.138 5.621 ( 0.780 3.035 -0.500) 3.173 5.824 ( 1.852 -0.149 -4.846) 5.190 5.990 ( -7.963 -2.255 5.662) 10.028 6.353 ( 8.702 0.975 -13.612) 16.185 7.107 ( 6.631 -0.203 6.737) 9.454 7.303 ( 0.747 -2.332 -4.383) 5.020 7.742 ( 0.281 1.883 -0.217) 1.916 8.238 ( 13.323 3.067 2.139) 13.838 9.132 ( -1.802 8.115 -4.544) 9.473 9.369 ( -11.562 8.646 3.919) 14.959 9.519 ( -0.946 0.799 -5.119) 5.266 11.864 ( 21.840 -17.811 14.178) 31.547 21.372 ( 0.901 0.940 -0.212) 1.320 21.425 ( 1.109 2.429 -0.174) 2.676 21.437 ( 1.378 -0.891 0.372) 1.683 21.527 ( 2.353 -2.028 -0.454) 3.139 24.162 ( -0.557 0.058 0.048) 0.562 24.189 ( -0.233 -0.119 0.067) 0.270 32.583 ( -0.371 0.226 -0.033) 0.436 32.641 ( 0.499 0.280 -0.317) 0.655 41.847 ( -6.978 7.662 -4.345) 11.237 42.709 ( -1.030 -3.093 -12.809) 13.218 43.286 ( -10.151 2.921 9.023) 13.892 44.482 ( 7.607 -3.108 -4.749) 9.491 ======================= Grid point 412 (149/231) ======================= q-point: ( 0.38 0.38 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.682 ( 0.000 24.715 17.736) 30.421 2.980 ( 0.000 26.192 17.993) 31.777 3.600 ( -0.000 5.774 -2.572) 6.321 4.345 ( 0.000 26.351 15.945) 30.800 4.521 ( -0.000 17.167 -13.051) 21.564 4.871 ( 0.000 -5.405 9.076) 10.563 5.733 ( 0.000 2.886 7.908) 8.418 5.827 ( 0.000 3.718 5.756) 6.852 5.988 ( -0.000 -9.877 -5.398) 11.256 6.292 ( -0.000 -10.795 -14.851) 18.360 6.803 ( -0.000 11.054 -8.674) 14.051 7.256 ( -0.000 4.692 -5.841) 7.492 8.302 ( 0.000 -17.499 11.711) 21.056 8.919 ( 0.000 -7.052 -2.235) 7.398 9.164 ( -0.000 -7.176 -4.289) 8.360 9.368 ( 0.000 -1.109 5.209) 5.326 9.790 ( 0.000 -21.642 13.858) 25.698 12.503 ( -0.000 11.136 -17.030) 20.348 21.448 ( 0.000 -2.988 -1.096) 3.183 21.503 ( 0.000 -2.672 1.389) 3.012 21.507 ( -0.000 0.108 -1.801) 1.804 21.563 ( 0.000 -1.931 0.586) 2.018 24.178 ( 0.000 -0.980 0.753) 1.236 24.184 ( 0.000 0.066 0.351) 0.357 32.591 ( 0.000 -0.823 0.039) 0.824 32.613 ( -0.000 -0.206 -0.778) 0.805 41.384 ( -0.000 0.541 0.192) 0.574 42.119 ( -0.000 6.433 -4.127) 7.643 42.917 ( -0.000 15.709 -0.883) 15.733 43.727 ( -0.000 27.008 -17.613) 32.244 ======================= Grid point 413 (150/231) ======================= q-point: ( 0.46 0.38 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.008 ( 1.171 25.246 16.023) 29.925 3.342 ( 3.324 22.786 18.031) 29.246 3.711 ( 7.862 7.192 -4.975) 11.759 4.609 ( 1.304 11.232 -12.741) 17.034 4.685 ( 5.276 12.228 6.961) 15.027 4.872 ( -1.512 5.719 13.889) 15.096 5.689 ( -9.044 4.086 2.832) 10.321 5.811 ( 1.608 -9.293 -5.783) 11.063 6.058 ( 11.190 -2.568 -0.435) 11.489 6.128 ( -1.647 -4.603 -6.977) 8.520 6.871 ( -0.634 10.871 -4.655) 11.842 7.265 ( -0.391 3.673 -5.188) 6.368 8.199 ( 0.233 -16.404 9.500) 18.957 8.807 ( -4.732 -12.634 -3.697) 13.988 9.039 ( -0.371 -9.391 -0.333) 9.404 9.283 ( -6.696 0.801 1.444) 6.896 9.887 ( 19.022 -15.168 15.871) 29.048 12.342 ( -20.185 9.671 -15.346) 27.138 21.409 ( -0.567 -2.542 -0.733) 2.705 21.481 ( -2.033 0.193 -1.477) 2.521 21.494 ( 0.989 -2.837 1.052) 3.184 21.548 ( -0.161 -1.872 0.283) 1.900 24.174 ( -0.013 -0.558 0.553) 0.785 24.186 ( -0.064 0.117 0.198) 0.238 32.584 ( -0.052 -0.498 0.029) 0.502 32.607 ( -0.067 0.070 -0.772) 0.778 41.503 ( 12.944 -0.229 0.385) 12.951 42.130 ( -3.804 7.444 -3.378) 9.016 43.137 ( 8.943 13.644 -0.002) 16.314 43.843 ( -3.111 20.129 -14.145) 24.798 ======================= Grid point 414 (151/231) ======================= q-point: ( 0.54 0.38 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.359 ( 2.878 22.380 15.541) 27.398 3.700 ( 5.130 19.404 16.109) 25.736 3.944 ( 14.464 8.440 -4.231) 17.273 4.587 ( -6.452 0.247 -2.390) 6.884 4.758 ( 0.235 6.074 -2.888) 6.729 5.122 ( 7.058 9.909 1.083) 12.214 5.554 ( -2.903 -3.046 -3.257) 5.322 5.794 ( -1.729 2.088 2.665) 3.802 5.976 ( 1.104 -9.961 -6.052) 11.708 6.252 ( 8.223 1.061 -0.539) 8.309 6.928 ( -2.159 8.105 -0.387) 8.396 7.257 ( -0.587 1.298 -4.040) 4.284 8.097 ( 0.095 -14.470 7.112) 16.123 8.499 ( -11.371 -13.755 -2.829) 18.069 9.032 ( 5.838 -4.603 -0.457) 7.448 9.215 ( -3.565 2.193 -2.515) 4.883 10.188 ( 22.748 -14.907 19.167) 33.273 11.910 ( -33.137 9.741 -13.382) 37.041 21.382 ( 0.039 -1.582 -0.197) 1.594 21.438 ( -2.442 0.299 -0.946) 2.636 21.486 ( 0.856 -2.932 0.446) 3.087 21.519 ( -1.279 -1.793 -0.035) 2.203 24.174 ( 0.176 -0.216 0.374) 0.466 24.186 ( -0.132 0.171 0.045) 0.221 32.582 ( 0.150 -0.053 0.079) 0.178 32.605 ( -0.045 0.352 -0.695) 0.780 41.769 ( 19.050 -1.537 0.414) 19.117 42.115 ( -4.418 8.305 -4.024) 10.232 43.432 ( 12.004 9.565 1.667) 15.439 43.868 ( -5.727 14.468 -10.386) 18.708 ======================= Grid point 415 (152/231) ======================= q-point: ( 0.62 0.38 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.637 ( 0.588 10.474 15.444) 18.670 4.050 ( 6.161 18.602 12.160) 23.062 4.284 ( 14.336 9.587 1.813) 17.341 4.427 ( -8.663 1.601 -4.302) 9.804 4.810 ( 0.351 6.145 -3.736) 7.200 5.184 ( 4.833 -1.461 -15.299) 16.111 5.581 ( 1.157 2.469 3.887) 4.748 5.735 ( -7.342 1.147 1.018) 7.500 5.939 ( 6.987 -10.327 2.565) 12.730 6.350 ( 5.664 -0.530 -7.022) 9.037 6.944 ( -3.688 3.432 4.241) 6.585 7.232 ( 0.295 -1.883 -3.090) 3.631 8.007 ( -0.165 -10.524 5.084) 11.689 8.205 ( -9.575 -7.596 -2.868) 12.554 9.106 ( 5.212 1.125 -0.990) 5.423 9.176 ( -0.721 1.162 -4.273) 4.486 10.528 ( 23.680 -16.748 20.854) 35.723 11.339 ( -38.599 9.658 -11.331) 41.371 21.379 ( 0.709 -0.507 0.253) 0.908 21.402 ( -1.595 0.286 -0.560) 1.715 21.470 ( 0.289 -2.705 0.007) 2.720 21.475 ( -1.985 -1.541 -0.162) 2.518 24.179 ( 0.332 -0.044 0.241) 0.413 24.185 ( -0.206 0.192 -0.056) 0.287 32.589 ( 0.471 0.315 0.163) 0.590 32.605 ( -0.127 0.523 -0.535) 0.759 42.049 ( 7.765 3.727 -0.649) 8.637 42.131 ( 7.757 2.685 -4.147) 9.196 43.695 ( 6.535 7.410 1.813) 10.045 43.848 ( -2.107 8.009 -5.901) 10.169 ======================= Grid point 416 (153/231) ======================= q-point: ( 0.69 0.38 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.693 ( -7.894 -3.179 13.566) 16.014 4.170 ( -6.668 -3.812 -0.444) 7.694 4.416 ( 0.741 21.910 5.262) 22.546 4.645 ( 7.316 11.798 0.497) 13.891 4.864 ( 4.445 5.802 -0.968) 7.373 5.212 ( 7.491 -0.936 -11.106) 13.429 5.506 ( -8.958 0.272 -1.006) 9.019 5.710 ( 3.768 -4.644 1.024) 6.068 5.992 ( 5.993 -7.000 5.767) 10.870 6.355 ( 2.292 -1.678 -12.395) 12.717 6.930 ( -2.846 -0.093 7.355) 7.887 7.204 ( 1.892 -4.176 -3.002) 5.480 7.947 ( -1.805 -4.020 3.004) 5.333 8.017 ( -4.959 -3.446 -1.814) 6.305 9.156 ( -2.482 7.914 -4.489) 9.431 9.227 ( 7.826 -0.055 -1.388) 7.949 10.735 ( -37.749 8.214 -8.850) 39.633 10.853 ( 23.233 -19.140 20.024) 36.154 21.377 ( -1.132 1.084 -0.232) 1.584 21.402 ( 1.355 -0.915 0.070) 1.637 21.432 ( -1.388 -0.737 -0.058) 1.572 21.448 ( 0.142 -2.166 0.008) 2.170 24.182 ( -0.296 0.179 -0.085) 0.356 24.185 ( 0.331 -0.019 0.144) 0.361 32.603 ( 0.077 0.512 -0.088) 0.525 32.605 ( 0.292 0.494 -0.062) 0.577 42.074 ( -5.024 9.329 -3.097) 11.039 42.369 ( 16.941 -2.891 -3.475) 17.533 43.711 ( -9.519 8.495 -0.027) 12.758 43.988 ( 11.938 0.089 -0.532) 11.951 ======================= Grid point 417 (154/231) ======================= q-point: (-0.23 0.38 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.493 ( -16.350 -6.202 10.994) 20.656 4.030 ( -2.227 -8.047 -4.069) 9.288 4.496 ( -14.437 9.638 2.497) 17.537 4.789 ( -2.212 15.762 5.215) 16.749 5.086 ( 5.583 7.095 4.353) 10.023 5.189 ( 3.202 -9.491 -5.388) 11.374 5.472 ( 4.083 5.131 -3.466) 7.417 5.731 ( 4.993 -5.709 -1.177) 7.675 6.052 ( 3.336 -2.872 5.583) 7.109 6.272 ( -0.768 -2.414 -14.744) 14.960 6.948 ( 1.138 -0.682 7.715) 7.828 7.193 ( 3.781 -3.622 -4.103) 6.652 7.865 ( -5.987 1.387 -1.721) 6.382 7.991 ( 3.481 -2.406 3.007) 5.191 9.181 ( -1.269 8.054 -3.128) 8.733 9.360 ( 6.290 4.824 -2.065) 8.191 10.178 ( -32.537 5.772 -5.874) 33.563 11.135 ( 22.734 -21.848 16.815) 35.734 21.372 ( -0.666 1.121 -0.361) 1.353 21.402 ( 0.178 0.069 0.040) 0.195 21.417 ( -0.044 -1.073 -0.196) 1.091 21.450 ( 1.907 -1.317 0.370) 2.347 24.178 ( -0.400 0.154 -0.047) 0.432 24.190 ( 0.182 -0.071 0.068) 0.206 32.600 ( -0.546 0.453 -0.148) 0.725 32.621 ( 0.715 0.336 0.049) 0.791 42.058 ( -5.957 9.332 -2.139) 11.276 42.550 ( 10.894 -2.454 -6.798) 13.074 43.623 ( -10.395 6.130 4.086) 12.741 44.164 ( 11.235 -2.480 -2.170) 11.708 ======================= Grid point 418 (155/231) ======================= q-point: (-0.15 0.38 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.210 ( -18.391 -4.021 12.031) 22.342 3.856 ( -9.195 -9.702 -2.105) 13.532 4.272 ( -16.690 1.955 2.962) 17.064 4.868 ( -6.116 8.168 -2.752) 10.569 5.022 ( -1.497 -5.947 1.977) 6.443 5.303 ( 1.660 2.061 6.613) 7.123 5.599 ( 5.353 5.972 -2.027) 8.272 5.755 ( 3.861 -2.531 -3.275) 5.660 6.085 ( -2.291 -2.121 5.901) 6.676 6.186 ( 3.535 2.185 -15.119) 15.680 7.034 ( 5.030 -0.750 6.742) 8.445 7.213 ( 4.195 -1.722 -5.460) 7.098 7.791 ( -3.554 1.973 -0.408) 4.085 8.085 ( 8.036 -0.911 2.296) 8.407 9.225 ( -1.979 7.994 -1.319) 8.340 9.489 ( 4.130 5.142 -3.936) 7.681 9.747 ( -22.810 6.332 0.216) 23.674 11.358 ( 22.398 -24.430 10.770) 34.850 21.373 ( -0.106 1.041 -0.244) 1.075 21.410 ( 0.667 -1.094 0.080) 1.284 21.426 ( 1.375 1.776 -0.133) 2.250 21.470 ( 2.014 -1.942 -0.037) 2.798 24.172 ( -0.488 0.153 0.058) 0.515 24.190 ( -0.036 -0.130 0.007) 0.135 32.593 ( -0.617 0.281 -0.029) 0.679 32.633 ( 0.534 0.042 -0.252) 0.592 42.035 ( -6.967 9.739 -0.367) 11.980 42.602 ( 3.612 -2.189 -10.437) 11.259 43.536 ( -10.237 5.001 7.854) 13.838 44.281 ( 9.108 -4.377 -5.590) 11.549 ======================= Grid point 426 (156/231) ======================= q-point: ( 0.46 0.46 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.283 ( 0.000 20.688 12.274) 24.055 3.630 ( 0.000 23.776 14.578) 27.889 3.713 ( -0.000 8.282 -0.267) 8.286 4.632 ( -0.000 9.476 -13.732) 16.684 4.758 ( -0.000 6.673 0.776) 6.718 5.013 ( 0.000 6.360 15.003) 16.296 5.680 ( -0.000 -10.950 -6.074) 12.522 5.801 ( -0.000 -6.989 -6.480) 9.531 5.895 ( -0.000 4.763 1.000) 4.867 6.137 ( -0.000 4.923 1.584) 5.171 6.965 ( -0.000 10.432 -1.757) 10.579 7.275 ( -0.000 3.303 -5.345) 6.283 8.089 ( 0.000 -15.839 8.045) 17.765 8.702 ( 0.000 -13.635 -3.128) 13.989 8.953 ( 0.000 -10.544 0.456) 10.553 9.398 ( 0.000 -1.599 4.900) 5.154 9.618 ( 0.000 -10.355 10.772) 14.942 12.510 ( -0.000 7.701 -15.691) 17.478 21.383 ( 0.000 -2.602 -0.815) 2.726 21.466 ( 0.000 -2.683 1.352) 3.005 21.495 ( -0.000 0.650 -1.949) 2.055 21.533 ( 0.000 -1.886 0.719) 2.018 24.171 ( 0.000 -0.449 0.441) 0.629 24.189 ( 0.000 0.163 0.114) 0.199 32.580 ( 0.000 -0.384 0.034) 0.385 32.605 ( -0.000 0.174 -0.714) 0.735 41.407 ( 0.000 1.258 0.999) 1.606 42.227 ( -0.000 6.347 1.047) 6.433 43.187 ( -0.000 13.937 -2.296) 14.124 43.977 ( -0.000 15.959 -11.147) 19.466 ======================= Grid point 427 (157/231) ======================= q-point: ( 0.54 0.46 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.555 ( 4.419 15.982 10.278) 19.509 3.827 ( 4.346 8.794 0.071) 9.809 3.934 ( 2.653 20.014 12.970) 23.996 4.640 ( -0.433 5.802 -9.944) 11.521 4.814 ( -0.726 6.501 -0.126) 6.542 5.098 ( -0.295 -1.453 -2.077) 2.552 5.534 ( -0.204 -5.390 -2.240) 5.840 5.757 ( 3.450 -5.705 1.909) 6.935 5.947 ( -1.057 3.871 -1.714) 4.364 6.212 ( 0.501 5.731 2.433) 6.246 7.037 ( -1.506 7.747 0.149) 7.893 7.265 ( -1.378 1.853 -4.372) 4.944 7.987 ( 0.783 -14.431 6.244) 15.743 8.494 ( -6.061 -15.283 -2.113) 16.576 8.890 ( 3.297 -6.442 0.610) 7.263 9.324 ( -5.785 1.763 1.143) 6.154 9.785 ( 18.728 -11.603 12.390) 25.275 12.346 ( -18.010 7.482 -15.256) 24.761 21.359 ( 0.270 -1.940 -0.491) 2.019 21.452 ( 0.465 -2.608 0.962) 2.818 21.474 ( -1.885 0.566 -1.205) 2.308 21.518 ( -0.375 -1.456 0.189) 1.515 24.171 ( 0.120 -0.264 0.322) 0.433 24.190 ( -0.080 0.205 0.018) 0.221 32.579 ( 0.161 -0.135 0.071) 0.222 32.604 ( 0.060 0.375 -0.624) 0.731 41.518 ( 10.762 0.771 1.457) 10.888 42.260 ( -4.011 6.525 2.351) 8.012 43.361 ( 7.410 10.559 -2.172) 13.081 44.030 ( -3.709 12.355 -7.761) 15.054 ======================= Grid point 428 (158/231) ======================= q-point: ( 0.62 0.46 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.772 ( 1.023 2.888 14.558) 14.877 4.046 ( 14.235 9.761 -5.927) 18.249 4.255 ( 5.585 21.281 8.749) 23.677 4.585 ( -7.538 0.395 -4.500) 8.788 4.868 ( -1.648 8.669 1.714) 8.989 5.001 ( 3.782 -4.029 -15.088) 16.068 5.560 ( 4.515 -2.720 -0.661) 5.313 5.783 ( 1.977 -5.087 7.305) 9.119 5.914 ( -6.266 3.412 1.591) 7.310 6.262 ( 1.183 1.857 -2.638) 3.437 7.059 ( -3.288 3.581 2.677) 5.549 7.215 ( -2.595 -1.064 -3.345) 4.365 7.916 ( 1.941 -10.610 4.463) 11.673 8.251 ( -6.909 -9.006 -2.326) 11.587 8.941 ( 7.864 -3.369 -0.038) 8.555 9.274 ( -4.284 4.952 -1.536) 6.725 10.069 ( 22.682 -16.087 14.439) 31.333 11.935 ( -30.417 7.883 -14.153) 34.462 21.354 ( 1.038 -1.068 -0.067) 1.491 21.435 ( -1.156 -1.003 -0.072) 1.533 21.444 ( -0.663 -0.927 0.013) 1.140 21.491 ( -1.477 -0.964 -0.214) 1.777 24.174 ( 0.290 -0.128 0.214) 0.382 24.190 ( -0.160 0.214 -0.051) 0.272 32.584 ( 0.454 0.097 0.133) 0.483 32.607 ( 0.080 0.555 -0.476) 0.735 41.761 ( 16.711 -0.143 1.093) 16.748 42.258 ( -5.423 7.424 2.109) 9.433 43.579 ( 10.474 5.308 -1.501) 11.838 44.016 ( -6.817 9.667 -4.051) 12.503 ======================= Grid point 429 (159/231) ======================= q-point: ( 0.69 0.46 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.805 ( -2.157 -6.844 12.583) 14.485 4.218 ( -6.186 -3.928 -12.626) 14.598 4.486 ( 12.924 7.353 1.659) 14.962 4.631 ( 6.187 20.692 2.706) 21.766 4.943 ( -1.761 8.353 3.813) 9.350 5.040 ( 7.191 2.327 -8.386) 11.289 5.565 ( 4.475 -7.925 -3.759) 9.847 5.698 ( -11.805 -0.005 0.834) 11.835 5.921 ( 2.228 -2.451 12.002) 12.451 6.260 ( 1.041 0.212 -8.977) 9.040 7.030 ( -4.572 -0.026 5.966) 7.517 7.142 ( -1.217 -2.778 -3.883) 4.927 7.895 ( 2.595 -6.243 3.565) 7.643 8.080 ( -5.816 -2.521 -3.001) 7.014 9.069 ( 9.225 -0.505 0.777) 9.271 9.262 ( -2.605 7.598 -3.354) 8.705 10.358 ( 23.869 -20.126 14.373) 34.371 11.380 ( -36.622 7.452 -12.302) 39.345 21.370 ( 1.560 -0.531 0.178) 1.658 21.406 ( -1.464 0.140 -0.148) 1.479 21.428 ( -0.023 -1.544 0.154) 1.552 21.454 ( -1.905 -0.363 -0.311) 1.964 24.179 ( 0.379 -0.088 0.120) 0.407 24.188 ( -0.237 0.190 -0.067) 0.311 32.596 ( 0.712 0.179 0.162) 0.751 32.611 ( -0.087 0.614 -0.289) 0.684 42.048 ( 17.575 -0.650 -0.486) 17.594 42.251 ( -5.674 8.098 2.017) 10.092 43.778 ( 11.147 0.532 -1.891) 11.318 43.956 ( -8.894 7.647 -0.211) 11.731 ======================= Grid point 430 (160/231) ======================= q-point: (-0.23 0.46 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.719 ( -8.388 -7.493 13.013) 17.200 3.936 ( -5.568 -10.077 -13.710) 17.903 4.807 ( -1.633 9.684 1.491) 9.934 4.825 ( 6.507 3.804 -0.607) 7.562 5.043 ( 6.703 6.801 6.925) 11.796 5.133 ( 1.115 4.984 -4.681) 6.928 5.514 ( -6.658 0.440 1.938) 6.949 5.567 ( 5.271 -3.868 -4.697) 8.050 6.009 ( 3.473 -2.419 11.741) 12.481 6.205 ( -0.996 0.309 -12.990) 13.032 6.997 ( -2.713 -0.175 7.194) 7.691 7.094 ( 1.363 -2.259 -4.985) 5.641 7.917 ( 3.351 -3.409 3.186) 5.744 7.965 ( -5.492 0.591 -2.877) 6.228 9.226 ( 5.836 3.268 3.922) 7.754 9.305 ( 1.949 8.515 -6.019) 10.608 10.609 ( 23.259 -23.474 11.892) 35.120 10.776 ( -36.738 6.022 -9.209) 38.351 21.389 ( 0.738 -0.172 0.145) 0.771 21.392 ( -0.361 0.482 -0.211) 0.637 21.419 ( 0.578 -1.081 0.265) 1.254 21.423 ( -1.347 -0.020 -0.230) 1.367 24.185 ( 0.326 -0.124 0.035) 0.351 24.185 ( -0.312 0.158 -0.027) 0.351 32.610 ( 0.657 0.093 0.093) 0.670 32.612 ( -0.280 0.484 -0.117) 0.572 42.246 ( -5.971 8.656 2.628) 10.839 42.297 ( 14.212 -0.994 -3.550) 14.682 43.874 ( -10.083 6.598 3.780) 12.629 43.935 ( 11.182 -3.174 -3.702) 12.199 ======================= Grid point 431 (161/231) ======================= q-point: (-0.15 0.46 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.519 ( -15.614 -2.694 10.276) 18.885 3.762 ( 2.450 -11.930 -7.129) 14.112 4.607 ( -19.331 -1.668 3.245) 19.673 4.873 ( 1.688 -16.613 -3.179) 16.999 5.120 ( -7.071 14.475 -0.935) 16.137 5.308 ( 9.739 4.802 7.600) 13.253 5.561 ( 4.070 6.298 0.352) 7.507 5.627 ( 6.516 1.123 -4.561) 8.032 6.103 ( 0.268 -1.061 3.611) 3.773 6.118 ( 0.792 2.133 -7.690) 8.019 7.021 ( 0.614 1.159 6.581) 6.710 7.097 ( 4.134 -0.809 -6.118) 7.428 7.876 ( -4.981 1.801 -1.530) 5.513 7.972 ( 5.139 -3.064 2.260) 6.396 9.331 ( -1.136 8.046 1.953) 8.357 9.427 ( 6.246 4.243 -3.900) 8.499 10.238 ( -29.757 6.346 -2.877) 30.561 10.795 ( 21.899 -25.847 6.865) 34.565 21.389 ( -0.526 0.971 -0.017) 1.104 21.400 ( -0.061 -0.052 -0.036) 0.088 21.414 ( 0.895 0.412 -0.180) 1.001 21.427 ( 1.298 -1.158 0.108) 1.743 24.181 ( -0.378 0.151 0.061) 0.411 24.187 ( 0.168 -0.177 -0.041) 0.248 32.607 ( -0.677 0.346 0.041) 0.762 32.621 ( 0.613 -0.242 -0.150) 0.676 42.245 ( -6.315 9.094 3.648) 11.657 42.443 ( 7.978 -1.370 -7.324) 10.917 43.794 ( -9.980 6.012 6.911) 13.547 44.046 ( 10.024 -5.073 -6.215) 12.839 ======================= Grid point 440 (162/231) ======================= q-point: ( 0.54 0.54 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.668 ( -0.000 13.445 -0.447) 13.452 3.872 ( 0.000 0.534 8.934) 8.950 4.147 ( 0.000 16.039 8.850) 18.319 4.637 ( -0.000 5.647 -10.090) 11.563 4.879 ( -0.000 10.996 -9.310) 14.408 5.099 ( 0.000 -4.344 4.135) 5.997 5.405 ( -0.000 -8.841 -7.744) 11.754 5.740 ( 0.000 -0.973 11.276) 11.318 5.982 ( -0.000 3.406 -1.559) 3.746 6.305 ( 0.000 7.147 3.463) 7.942 7.108 ( -0.000 5.077 -1.869) 5.410 7.289 ( -0.000 3.347 -2.092) 3.947 7.870 ( 0.000 -14.067 5.152) 14.980 8.389 ( 0.000 -14.559 -1.288) 14.616 8.810 ( 0.000 -5.951 1.776) 6.211 9.398 ( 0.000 -2.851 2.827) 4.015 9.577 ( 0.000 -4.622 7.018) 8.403 12.476 ( -0.000 6.444 -16.563) 17.772 21.336 ( 0.000 -1.561 -0.425) 1.618 21.430 ( 0.000 -2.336 0.903) 2.505 21.494 ( -0.000 1.246 -1.552) 1.990 21.507 ( 0.000 -1.599 0.685) 1.739 24.169 ( 0.000 -0.235 0.259) 0.350 24.193 ( -0.000 0.211 -0.030) 0.213 32.576 ( 0.000 -0.094 0.094) 0.133 32.605 ( -0.000 0.461 -0.529) 0.701 41.453 ( 0.000 1.467 2.902) 3.251 42.371 ( 0.000 4.298 6.828) 8.069 43.378 ( -0.000 9.554 -5.036) 10.800 44.136 ( -0.000 10.363 -4.797) 11.420 ======================= Grid point 441 (163/231) ======================= q-point: ( 0.62 0.54 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.800 ( 2.763 1.027 3.203) 4.353 3.921 ( 5.563 1.691 -0.209) 5.818 4.352 ( 6.558 10.463 3.372) 12.800 4.638 ( -2.799 3.505 -7.859) 9.050 4.877 ( -0.548 -0.324 -10.876) 10.895 5.061 ( -5.548 11.679 6.430) 14.440 5.391 ( 7.094 -5.201 -4.984) 10.110 5.804 ( 0.499 -1.820 14.789) 14.909 5.989 ( -0.866 1.368 -2.675) 3.127 6.335 ( -4.749 3.557 2.290) 6.360 7.119 ( -1.021 2.284 -3.371) 4.198 7.278 ( -4.536 1.845 0.950) 4.988 7.795 ( 2.771 -10.473 3.747) 11.463 8.234 ( -3.047 -9.353 -1.504) 9.952 8.812 ( 4.620 -2.840 1.780) 5.708 9.359 ( -2.196 0.976 -0.123) 2.407 9.688 ( 13.508 -9.892 8.208) 18.646 12.312 ( -16.274 6.588 -16.801) 24.301 21.329 ( 0.707 -0.782 -0.117) 1.060 21.415 ( 0.265 -2.001 0.476) 2.074 21.475 ( -1.838 -0.056 -0.092) 1.841 21.501 ( -0.496 0.119 -0.481) 0.701 24.169 ( 0.176 -0.184 0.188) 0.317 24.194 ( -0.083 0.180 -0.069) 0.210 32.579 ( 0.288 -0.018 0.128) 0.316 32.608 ( 0.143 0.584 -0.386) 0.714 41.562 ( 9.126 1.030 3.519) 9.835 42.417 ( -3.520 4.040 8.053) 9.673 43.474 ( 5.843 5.279 -5.578) 9.650 44.179 ( -3.836 8.914 -1.658) 9.845 ======================= Grid point 442 (164/231) ======================= q-point: (-0.31 -0.46 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.756 ( 0.521 -12.990 1.886) 13.137 4.112 ( 9.873 3.265 -6.840) 12.447 4.450 ( -4.895 -6.069 -5.388) 9.478 4.604 ( 10.849 7.333 -1.697) 13.205 4.947 ( 5.678 9.114 0.341) 10.744 5.150 ( -4.940 13.993 3.615) 15.273 5.406 ( 3.744 -5.207 -3.574) 7.342 5.845 ( -3.493 -1.370 7.265) 8.177 5.960 ( -1.422 -0.799 4.806) 5.075 6.262 ( -5.019 -0.339 -1.221) 5.177 7.090 ( -1.827 0.726 -3.491) 4.006 7.196 ( -6.658 -0.347 3.293) 7.435 7.796 ( 4.156 -5.769 2.598) 7.570 8.115 ( -3.234 -2.577 -2.611) 4.890 8.926 ( 8.885 0.644 2.507) 9.255 9.348 ( -1.830 4.523 -2.076) 5.302 9.879 ( 18.959 -16.400 8.805) 26.569 11.916 ( -28.379 6.576 -15.788) 33.134 21.343 ( 1.323 -0.153 0.184) 1.344 21.406 ( 0.280 -1.236 0.075) 1.269 21.441 ( -1.872 -0.322 0.203) 1.910 21.484 ( -1.725 0.661 -0.474) 1.907 24.173 ( 0.330 -0.169 0.110) 0.386 24.193 ( -0.152 0.126 -0.076) 0.211 32.587 ( 0.588 -0.010 0.146) 0.606 32.615 ( 0.136 0.644 -0.201) 0.688 41.784 ( 14.350 0.383 2.728) 14.612 42.429 ( -4.886 4.869 7.714) 10.348 43.594 ( 8.715 0.108 -5.335) 10.219 44.167 ( -7.011 7.728 1.289) 10.514 ======================= Grid point 443 (165/231) ======================= q-point: (-0.23 -0.46 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.636 ( 2.827 -15.791 -4.289) 16.605 3.999 ( -11.375 -5.774 -3.862) 13.329 4.532 ( 15.185 -5.273 -2.070) 16.207 4.845 ( 14.152 2.680 -1.929) 14.532 5.097 ( -6.638 -1.669 4.782) 8.350 5.177 ( 2.027 15.493 -3.703) 16.058 5.442 ( 4.110 2.546 -0.287) 4.844 5.714 ( -10.825 0.529 1.024) 10.887 6.015 ( 1.825 -1.683 14.062) 14.279 6.178 ( -2.172 -0.248 -7.044) 7.375 7.047 ( -1.427 0.524 -3.916) 4.201 7.116 ( -5.310 0.983 4.594) 7.090 7.833 ( 4.038 -3.699 2.139) 5.879 8.040 ( -4.016 1.585 -3.060) 5.291 9.126 ( 10.393 3.576 3.664) 11.586 9.365 ( -0.943 6.566 -2.461) 7.076 10.076 ( 20.988 -20.729 7.061) 30.332 11.370 ( -34.812 5.755 -13.059) 37.624 21.367 ( 1.426 -0.005 0.265) 1.451 21.403 ( -0.091 0.212 -0.063) 0.239 21.414 ( -0.867 -0.468 0.198) 1.005 21.455 ( -2.156 0.739 -0.270) 2.295 24.177 ( 0.382 -0.202 0.025) 0.433 24.190 ( -0.202 0.076 -0.037) 0.219 32.598 ( 0.730 -0.147 0.101) 0.751 32.621 ( -0.120 0.580 -0.009) 0.592 42.040 ( 14.817 -0.167 0.285) 14.821 42.434 ( -5.180 5.664 7.310) 10.599 43.703 ( 9.999 -3.676 -5.521) 11.999 44.114 ( -8.988 6.643 3.786) 11.801 ======================= Grid point 454 (166/231) ======================= q-point: (-0.38 -0.38 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.748 ( 0.000 -10.852 -1.422) 10.945 3.883 ( -0.000 4.667 -3.173) 5.643 4.314 ( -0.000 -3.340 -2.998) 4.488 4.695 ( -0.000 7.733 -4.374) 8.885 4.850 ( -0.000 0.193 -5.616) 5.620 5.259 ( -0.000 1.689 -3.191) 3.610 5.286 ( 0.000 13.041 6.526) 14.582 5.856 ( 0.000 -3.828 16.706) 17.139 5.978 ( -0.000 -1.006 -3.218) 3.371 6.419 ( 0.000 0.570 2.400) 2.467 7.124 ( -0.000 2.461 -5.572) 6.092 7.354 ( 0.000 1.998 2.081) 2.885 7.692 ( 0.000 -8.362 3.434) 9.039 8.172 ( 0.000 -6.338 -1.323) 6.475 8.761 ( 0.000 -1.580 2.839) 3.249 9.343 ( 0.000 -4.231 -0.311) 4.242 9.566 ( 0.000 -3.395 4.971) 6.019 12.416 ( -0.000 6.611 -18.377) 19.530 21.319 ( 0.000 -0.046 0.079) 0.091 21.397 ( 0.000 -1.662 0.190) 1.673 21.486 ( 0.000 -1.158 0.401) 1.225 21.511 ( -0.000 1.773 -0.758) 1.928 24.167 ( 0.000 -0.215 0.155) 0.265 24.195 ( -0.000 0.102 -0.095) 0.139 32.577 ( 0.000 -0.057 0.130) 0.142 32.611 ( -0.000 0.648 -0.257) 0.697 41.520 ( 0.000 0.980 5.391) 5.479 42.523 ( 0.000 1.375 11.715) 11.796 43.433 ( -0.000 3.381 -8.049) 8.730 44.289 ( -0.000 8.189 0.527) 8.206 ======================= Grid point 455 (167/231) ======================= q-point: (-0.31 -0.38 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.585 ( 0.480 -17.710 -6.800) 18.977 3.973 ( 6.706 3.601 -3.019) 8.189 4.272 ( 6.184 -13.981 -6.803) 16.733 4.640 ( -6.654 5.295 -3.656) 9.256 4.933 ( 6.882 5.516 0.109) 8.820 5.322 ( 2.592 6.862 0.862) 7.386 5.389 ( -4.650 8.383 3.197) 10.105 5.897 ( -1.086 -3.829 10.671) 11.389 5.962 ( 1.762 -1.057 2.056) 2.907 6.357 ( -6.304 -3.954 2.170) 7.751 7.110 ( -1.369 3.166 -6.009) 6.928 7.322 ( -5.651 -0.204 3.549) 6.676 7.690 ( 4.096 -3.726 2.335) 6.010 8.119 ( -1.016 -0.615 -2.205) 2.505 8.826 ( 6.036 1.254 3.812) 7.249 9.342 ( 4.126 -1.817 -2.293) 5.057 9.588 ( 5.001 -7.492 5.340) 10.471 12.255 ( -15.441 7.038 -18.426) 25.050 21.329 ( 0.670 0.626 0.356) 0.984 21.388 ( 0.494 -0.961 -0.150) 1.091 21.466 ( -1.364 -0.678 0.181) 1.534 21.516 ( -1.115 1.654 -0.302) 2.017 24.167 ( 0.192 -0.245 0.103) 0.328 24.195 ( -0.062 0.009 -0.102) 0.120 32.579 ( 0.326 -0.089 0.126) 0.360 32.618 ( 0.163 0.690 -0.089) 0.714 41.625 ( 7.893 0.354 5.789) 9.794 42.572 ( -2.642 0.846 12.371) 12.679 43.445 ( 4.684 -0.495 -8.272) 9.519 44.339 ( -3.877 7.332 2.377) 8.628 ======================= Grid point 456 (168/231) ======================= q-point: (-0.23 -0.38 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.383 ( 2.369 -19.077 -10.682) 21.992 4.033 ( -1.559 -7.913 -2.479) 8.437 4.207 ( 11.780 -12.954 -4.795) 18.154 4.679 ( 5.857 5.174 -0.367) 7.824 5.076 ( 5.138 0.483 -2.782) 5.862 5.339 ( -7.014 3.670 0.454) 7.929 5.456 ( 2.642 8.390 3.803) 9.583 5.836 ( -4.510 -2.830 0.873) 5.395 6.049 ( 2.758 2.299 8.796) 9.501 6.209 ( -6.394 -5.218 3.079) 8.809 7.078 ( -2.695 3.945 -6.182) 7.813 7.246 ( -5.647 0.692 5.003) 7.576 7.744 ( 4.094 -2.105 1.295) 4.782 8.101 ( -2.142 4.369 -2.889) 5.659 9.012 ( 10.112 3.748 4.940) 11.862 9.400 ( 2.979 3.618 -2.670) 5.394 9.645 ( 11.870 -14.748 4.665) 19.498 11.871 ( -27.433 6.839 -16.420) 32.695 21.351 ( 0.910 0.629 0.417) 1.182 21.397 ( 0.977 0.527 -0.155) 1.121 21.436 ( -1.697 -0.238 0.024) 1.713 21.502 ( -2.258 1.308 -0.024) 2.609 24.169 ( 0.332 -0.293 0.029) 0.443 24.193 ( -0.091 -0.065 -0.073) 0.134 32.586 ( 0.551 -0.189 0.100) 0.591 32.627 ( 0.102 0.636 0.094) 0.651 41.824 ( 12.260 -0.317 4.165) 12.952 42.591 ( -3.639 1.405 11.467) 12.112 43.485 ( 7.689 -4.213 -7.655) 11.639 44.329 ( -6.976 6.310 3.897) 10.181 ======================= Grid point 468 (169/231) ======================= q-point: (-0.31 -0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.349 ( -0.000 -20.643 -11.003) 23.392 3.936 ( -0.000 1.753 -0.748) 1.905 4.019 ( -0.000 -19.136 -8.618) 20.987 4.768 ( -0.000 6.909 -9.120) 11.442 4.864 ( 0.000 0.133 5.394) 5.395 5.393 ( -0.000 9.620 3.351) 10.187 5.503 ( 0.000 0.766 3.206) 3.296 5.898 ( -0.000 -3.461 -2.832) 4.472 5.969 ( 0.000 -0.648 14.262) 14.277 6.373 ( 0.000 -6.773 3.868) 7.799 7.128 ( -0.000 4.856 -6.692) 8.268 7.379 ( 0.000 -1.910 2.661) 3.276 7.648 ( 0.000 0.286 2.768) 2.783 8.129 ( -0.000 4.097 -2.402) 4.749 8.810 ( 0.000 2.395 4.762) 5.330 9.239 ( -0.000 -4.445 -3.265) 5.516 9.547 ( 0.000 -3.517 4.225) 5.497 12.358 ( -0.000 8.405 -19.595) 21.321 21.337 ( -0.000 1.557 0.644) 1.685 21.373 ( -0.000 -0.601 -0.500) 0.782 21.472 ( 0.000 -0.489 -0.102) 0.500 21.544 ( -0.000 1.955 0.163) 1.961 24.163 ( 0.000 -0.315 0.079) 0.325 24.194 ( -0.000 -0.118 -0.123) 0.170 32.576 ( 0.000 -0.105 0.094) 0.141 32.623 ( -0.000 0.734 0.047) 0.736 41.595 ( 0.000 -0.449 7.620) 7.633 42.658 ( 0.000 -1.902 14.824) 14.946 43.346 ( -0.000 -2.390 -9.903) 10.187 44.453 ( 0.000 6.676 3.219) 7.412 ======================= Grid point 469 (170/231) ======================= q-point: (-0.23 -0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.095 ( 1.540 -21.713 -12.669) 25.186 3.808 ( 4.480 -24.645 -9.025) 26.625 3.984 ( 4.992 -1.251 1.226) 5.290 4.727 ( -3.057 6.248 -3.468) 7.773 4.960 ( 5.646 -1.885 -0.884) 6.018 5.434 ( -4.602 -6.195 2.796) 8.208 5.522 ( 1.719 7.326 3.971) 8.509 5.845 ( -1.061 -4.014 1.089) 4.292 6.030 ( 2.390 -3.204 1.936) 4.442 6.315 ( -4.842 -0.695 10.745) 11.806 7.129 ( -1.633 5.685 -6.922) 9.105 7.341 ( -3.109 -1.794 3.543) 5.043 7.695 ( 1.823 1.749 1.811) 3.108 8.176 ( -0.928 9.812 -2.770) 10.238 8.930 ( 7.155 3.821 6.004) 10.092 9.247 ( 7.970 -3.747 -4.343) 9.820 9.529 ( -0.587 -4.133 4.472) 6.117 12.214 ( -15.411 9.346 -18.681) 25.958 21.356 ( -0.020 1.335 0.415) 1.399 21.383 ( 1.354 1.011 -0.209) 1.703 21.458 ( -1.106 0.035 -0.321) 1.152 21.550 ( -1.621 1.656 0.479) 2.366 24.162 ( 0.191 -0.387 0.026) 0.433 24.192 ( -0.014 -0.215 -0.114) 0.244 32.578 ( 0.285 -0.121 0.062) 0.316 32.632 ( 0.121 0.704 0.192) 0.740 41.686 ( 6.870 -1.365 7.350) 10.153 42.696 ( -1.718 -2.700 14.561) 14.909 43.295 ( 4.278 -5.179 -9.720) 11.815 44.497 ( -3.899 5.764 3.851) 7.953 ======================= Grid point 482 (171/231) ======================= q-point: (-0.23 -0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.799 ( -0.000 -23.457 -12.775) 26.710 3.468 ( 0.000 -27.416 -10.570) 29.383 3.937 ( 0.000 -3.268 4.096) 5.240 4.764 ( -0.000 4.621 -12.597) 13.418 4.898 ( 0.000 -5.056 5.799) 7.694 5.395 ( 0.000 -15.781 9.162) 18.248 5.559 ( -0.000 2.310 -3.416) 4.124 5.847 ( 0.000 0.942 5.122) 5.208 5.939 ( 0.000 -10.402 -2.766) 10.764 6.447 ( 0.000 6.269 13.171) 14.587 7.159 ( -0.000 5.360 -7.113) 8.906 7.350 ( 0.000 -3.359 2.144) 3.985 7.733 ( 0.000 4.645 2.948) 5.502 8.296 ( -0.000 16.834 -2.922) 17.086 8.935 ( 0.000 3.984 6.616) 7.723 9.126 ( -0.000 -2.489 -4.811) 5.417 9.526 ( 0.000 -3.312 4.625) 5.689 12.346 ( -0.000 11.907 -19.286) 22.665 21.367 ( -0.000 0.790 -0.933) 1.223 21.389 ( -0.000 2.771 1.135) 2.994 21.467 ( -0.000 0.471 -0.652) 0.804 21.584 ( 0.000 1.577 0.929) 1.830 24.156 ( 0.000 -0.480 -0.000) 0.480 24.188 ( 0.000 -0.332 -0.133) 0.358 32.575 ( 0.000 -0.011 0.015) 0.018 32.639 ( -0.000 0.722 0.276) 0.773 41.652 ( 0.000 -2.716 8.883) 9.289 42.749 ( 0.000 -5.430 15.761) 16.670 43.149 ( -0.000 -6.683 -10.862) 12.753 44.601 ( 0.000 5.080 3.583) 6.216 ======================= Grid point 553 (172/231) ======================= q-point: ( 0.23 0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( 0.000 -0.000 28.575) 28.575 1.393 ( 0.000 -0.000 28.575) 28.575 2.502 ( 0.000 -0.000 51.266) 51.266 3.798 ( -0.000 0.000 -13.190) 13.190 3.798 ( -0.000 0.000 -13.190) 13.190 5.230 ( 0.000 -0.000 15.528) 15.528 5.230 ( 0.000 -0.000 15.528) 15.528 5.684 ( 0.000 -0.000 5.378) 5.378 6.360 ( -0.000 0.000 -9.049) 9.049 6.744 ( -0.000 0.000 -16.588) 16.588 7.059 ( -0.000 0.000 -10.827) 10.827 7.059 ( -0.000 0.000 -10.827) 10.827 9.223 ( 0.000 0.000 1.750) 1.750 9.223 ( 0.000 -0.000 1.750) 1.750 9.404 ( 0.000 0.000 -0.760) 0.760 9.404 ( -0.000 -0.000 -0.760) 0.760 10.499 ( 0.000 -0.000 7.001) 7.001 11.603 ( -0.000 0.000 -7.866) 7.866 21.567 ( 0.000 0.000 0.091) 0.091 21.567 ( -0.000 -0.000 0.091) 0.091 21.594 ( 0.000 0.000 -0.263) 0.263 21.594 ( -0.000 -0.000 -0.263) 0.263 24.174 ( 0.000 -0.000 0.848) 0.848 24.285 ( -0.000 0.000 -0.541) 0.541 32.633 ( 0.000 -0.000 0.288) 0.288 32.667 ( -0.000 0.000 -0.279) 0.279 41.506 ( 0.000 -0.000 4.739) 4.739 41.506 ( 0.000 -0.000 4.739) 4.739 42.182 ( -0.000 0.000 -4.516) 4.516 42.182 ( -0.000 0.000 -4.516) 4.516 ======================= Grid point 554 (173/231) ======================= q-point: ( 0.31 0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( 3.482 2.010 26.560) 26.863 1.910 ( 20.027 11.563 25.989) 34.788 2.972 ( 19.078 11.015 44.755) 49.883 3.768 ( 7.002 4.043 -14.736) 16.808 3.854 ( 8.015 4.627 -12.792) 15.789 5.121 ( -9.686 -5.592 12.853) 17.038 5.376 ( -2.870 -1.657 15.183) 15.541 5.750 ( 5.511 3.182 10.779) 12.517 6.298 ( -0.989 -0.571 -9.436) 9.505 6.665 ( 0.557 0.322 -17.641) 17.653 6.872 ( -5.641 -3.257 -13.572) 15.054 7.106 ( 3.853 2.225 -9.209) 10.227 8.974 ( -15.621 -9.019 8.175) 19.803 9.254 ( -5.645 -3.259 0.226) 6.523 9.287 ( 0.536 0.309 2.256) 2.339 9.466 ( 2.785 1.608 -0.125) 3.218 10.464 ( -5.483 -3.166 9.602) 11.501 11.756 ( 8.075 4.662 -18.290) 20.529 21.530 ( -2.511 -1.450 -0.119) 2.902 21.556 ( -1.979 -1.143 -0.543) 2.349 21.581 ( 0.670 0.387 0.202) 0.800 21.614 ( 0.523 0.302 -0.182) 0.630 24.178 ( -0.040 -0.023 0.829) 0.830 24.246 ( -2.550 -1.472 0.515) 2.990 32.627 ( -0.693 -0.400 0.247) 0.837 32.648 ( -1.203 -0.694 -0.274) 1.415 41.704 ( 9.220 5.323 7.541) 13.046 41.958 ( 28.004 16.168 -14.172) 35.305 42.034 ( 5.412 3.125 -9.599) 11.454 42.409 ( 14.339 8.279 -1.916) 16.668 ======================= Grid point 555 (174/231) ======================= q-point: ( 0.38 0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( 14.242 8.223 21.076) 26.733 2.460 ( 17.553 10.134 26.717) 33.535 3.713 ( 27.943 16.133 29.133) 43.472 3.927 ( 13.735 7.930 -14.814) 21.702 4.018 ( 12.212 7.051 -8.182) 16.303 4.940 ( -11.930 -6.888 9.257) 16.597 5.331 ( -5.233 -3.021 11.164) 12.695 6.011 ( 10.008 5.778 15.769) 19.550 6.221 ( -2.172 -1.254 -7.913) 8.301 6.556 ( -2.483 -1.433 -18.925) 19.141 6.712 ( -0.956 -0.552 -15.098) 15.138 7.138 ( 3.089 1.783 -6.906) 7.773 8.764 ( -8.746 -5.049 10.097) 14.281 9.134 ( -5.443 -3.142 -0.130) 6.286 9.205 ( -9.397 -5.425 -0.998) 10.896 9.524 ( 2.220 1.282 0.925) 2.725 10.447 ( -0.698 -0.403 16.836) 16.855 11.621 ( -9.858 -5.692 -21.772) 24.568 21.465 ( -3.124 -1.804 -0.077) 3.609 21.505 ( -2.364 -1.365 -0.578) 2.790 21.597 ( 0.529 0.305 -0.112) 0.621 21.611 ( -0.617 -0.356 -0.336) 0.787 24.181 ( -0.094 -0.054 0.629) 0.639 24.202 ( -1.649 -0.952 0.925) 2.117 32.608 ( -0.981 -0.567 0.147) 1.143 32.623 ( -0.828 -0.478 -0.563) 1.110 41.907 ( -1.364 -0.788 -9.685) 9.813 41.980 ( 11.537 6.661 9.962) 16.634 42.638 ( 30.447 17.579 -29.187) 45.694 42.773 ( 18.518 10.692 1.110) 21.412 ======================= Grid point 556 (175/231) ======================= q-point: ( 0.46 0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.269 ( 19.336 11.164 15.602) 27.239 2.966 ( 16.156 9.328 26.323) 32.263 4.172 ( 11.165 6.446 -7.786) 15.061 4.185 ( 15.368 8.873 -11.934) 21.385 4.520 ( 25.762 14.874 21.332) 36.606 4.704 ( -12.533 -7.236 5.070) 15.334 5.308 ( -0.571 -0.330 7.119) 7.149 6.090 ( -5.775 -3.334 -11.883) 13.626 6.306 ( 8.745 5.049 16.401) 19.260 6.412 ( -1.795 -1.036 -11.798) 11.978 6.661 ( 3.310 1.911 -17.814) 18.219 7.175 ( 3.047 1.759 -4.248) 5.516 8.638 ( -8.153 -4.707 8.562) 12.726 8.887 ( -17.104 -9.875 -3.528) 20.063 9.020 ( -4.741 -2.737 0.117) 5.476 9.559 ( 0.063 0.036 1.423) 1.424 10.619 ( 5.922 3.419 24.273) 25.218 11.171 ( -19.147 -11.054 -21.862) 31.092 21.400 ( -2.674 -1.544 0.159) 3.092 21.454 ( -1.861 -1.075 -0.390) 2.184 21.576 ( -2.029 -1.172 -0.051) 2.344 21.604 ( -0.086 -0.050 -0.946) 0.951 24.181 ( -0.110 -0.064 0.344) 0.366 24.183 ( -0.593 -0.342 0.705) 0.983 32.589 ( -0.715 -0.413 0.105) 0.833 32.606 ( -0.386 -0.223 -0.760) 0.881 41.849 ( 0.933 0.539 -11.230) 11.281 42.301 ( 12.147 7.013 11.900) 18.394 43.003 ( 17.507 10.108 -29.431) 35.705 43.205 ( 19.119 11.038 3.664) 22.379 ======================= Grid point 557 (176/231) ======================= q-point: ( 0.54 0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.779 ( 20.239 11.685 11.590) 26.086 3.443 ( 15.319 8.845 24.403) 30.140 4.315 ( 4.082 2.357 -2.151) 5.181 4.341 ( -9.130 -5.271 7.579) 12.984 4.566 ( 10.718 6.188 -13.761) 18.508 5.057 ( 14.131 8.158 6.708) 17.642 5.429 ( 9.518 5.495 7.581) 13.352 5.859 ( -7.467 -4.311 -17.121) 19.170 6.359 ( -0.196 -0.113 -3.949) 3.955 6.546 ( 5.410 3.123 15.459) 16.673 6.657 ( 4.679 2.702 -18.395) 19.172 7.233 ( 3.609 2.084 -1.557) 4.448 8.474 ( -17.863 -10.313 -3.838) 20.981 8.476 ( -10.118 -5.842 6.283) 13.266 8.933 ( -3.290 -1.899 0.156) 3.802 9.531 ( -3.241 -1.871 1.207) 3.932 10.621 ( -19.568 -11.298 -20.739) 30.670 10.924 ( 8.686 5.015 28.901) 30.592 21.352 ( -1.771 -1.023 0.255) 2.061 21.427 ( -0.336 -0.194 0.074) 0.395 21.521 ( -2.837 -1.638 -0.154) 3.280 21.585 ( -1.140 -0.658 -1.135) 1.738 24.179 ( -0.109 -0.063 0.080) 0.149 24.180 ( 0.003 0.002 0.466) 0.466 32.581 ( -0.118 -0.068 0.174) 0.221 32.597 ( -0.180 -0.104 -0.727) 0.756 41.825 ( 2.170 1.253 -12.040) 12.298 42.621 ( 10.739 6.200 13.242) 18.142 43.138 ( 8.790 5.075 -26.703) 28.567 43.627 ( 16.947 9.784 4.903) 20.173 ======================= Grid point 558 (177/231) ======================= q-point: ( 0.62 0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.249 ( 16.584 9.575 9.410) 21.337 3.886 ( 13.940 8.048 21.783) 27.085 4.057 ( -15.811 -9.128 5.584) 19.091 4.318 ( -4.271 -2.466 3.728) 6.182 4.828 ( 14.892 8.598 -11.541) 20.710 5.265 ( 7.620 4.399 -6.223) 10.777 5.625 ( -4.949 -2.857 -16.500) 17.461 5.711 ( 8.785 5.072 8.206) 13.047 6.325 ( -1.877 -1.084 -2.949) 3.660 6.666 ( 3.791 2.189 -15.853) 16.447 6.710 ( 2.966 1.712 14.153) 14.561 7.314 ( 3.817 2.204 0.443) 4.430 8.093 ( -14.511 -8.378 -3.931) 17.210 8.275 ( -9.919 -5.727 3.950) 12.115 8.879 ( -1.306 -0.754 -1.141) 1.891 9.435 ( -5.883 -3.397 1.353) 6.927 10.144 ( -14.257 -8.231 -17.335) 23.907 11.280 ( 9.384 5.418 30.487) 32.355 21.326 ( -0.651 -0.376 0.058) 0.754 21.441 ( 1.412 0.815 0.565) 1.725 21.456 ( -2.910 -1.680 -0.110) 3.362 21.546 ( -1.821 -1.052 -1.007) 2.331 24.177 ( -0.141 -0.081 -0.101) 0.192 24.185 ( 0.200 0.115 0.318) 0.392 32.586 ( 0.478 0.276 0.284) 0.621 32.590 ( -0.159 -0.092 -0.549) 0.579 41.812 ( 2.183 1.260 -12.134) 12.393 42.894 ( 7.507 4.334 13.875) 16.360 43.137 ( 3.433 1.982 -23.848) 24.175 43.989 ( 13.623 7.865 4.619) 16.394 ======================= Grid point 559 (178/231) ======================= q-point: (-0.31 0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.473 ( -6.688 -3.861 9.842) 12.511 3.841 ( 0.178 0.103 1.166) 1.184 4.170 ( -11.599 -6.697 6.829) 15.034 4.271 ( 11.201 6.467 19.177) 23.131 5.013 ( 5.994 3.460 -11.775) 13.658 5.375 ( 6.133 3.541 -8.596) 11.138 5.525 ( 3.018 1.742 -10.265) 10.841 5.853 ( 1.851 1.069 4.278) 4.783 6.236 ( -4.493 -2.594 -3.934) 6.510 6.631 ( -0.698 -0.403 -13.050) 13.075 6.845 ( 3.444 1.988 12.386) 13.009 7.389 ( 2.291 1.323 0.826) 2.772 7.819 ( -8.052 -4.649 -4.452) 10.309 8.114 ( -5.463 -3.154 2.322) 6.722 8.866 ( 1.277 0.737 -3.539) 3.834 9.303 ( -6.617 -3.820 2.224) 7.958 9.823 ( -8.279 -4.780 -12.106) 15.426 11.644 ( 9.654 5.574 29.264) 31.316 21.325 ( 0.591 0.341 -0.303) 0.746 21.399 ( -2.202 -1.271 0.122) 2.545 21.489 ( 2.418 1.396 0.614) 2.859 21.501 ( -1.725 -0.996 -0.560) 2.069 24.172 ( -0.227 -0.131 -0.181) 0.318 24.190 ( 0.124 0.071 0.230) 0.271 32.583 ( -0.201 -0.116 -0.329) 0.402 32.602 ( 0.833 0.481 0.302) 1.008 41.788 ( 1.111 0.642 -11.589) 11.660 43.054 ( -0.083 -0.048 -21.180) 21.180 43.084 ( 3.118 1.800 13.700) 14.165 44.271 ( 10.361 5.982 3.100) 12.359 ======================= Grid point 560 (179/231) ======================= q-point: (-0.23 0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.180 ( -19.327 -11.159 9.728) 24.345 3.882 ( -18.311 -10.572 8.986) 22.973 3.943 ( 3.776 2.180 -1.330) 4.558 4.567 ( 7.447 4.300 15.741) 17.937 4.993 ( -0.754 -0.435 -10.663) 10.699 5.461 ( 5.392 3.113 -4.451) 7.654 5.572 ( 1.136 0.656 -5.698) 5.847 5.874 ( -0.542 -0.313 0.040) 0.627 6.099 ( -5.979 -3.452 -2.759) 7.434 6.504 ( -3.430 -1.981 -12.644) 13.250 6.997 ( 5.129 2.961 10.070) 11.683 7.406 ( -0.936 -0.540 -0.603) 1.238 7.705 ( -0.375 -0.216 -4.443) 4.464 8.093 ( 3.095 1.787 2.184) 4.189 8.893 ( 3.133 1.809 -5.731) 6.778 9.185 ( -5.125 -2.959 3.575) 6.914 9.636 ( -4.629 -2.673 -7.422) 9.147 12.004 ( 10.086 5.823 25.505) 28.039 21.348 ( 1.678 0.969 -0.732) 2.072 21.366 ( -0.879 -0.508 0.511) 1.137 21.470 ( -0.859 -0.496 0.066) 0.994 21.545 ( 2.333 1.347 0.058) 2.694 24.165 ( -0.340 -0.196 -0.155) 0.422 24.192 ( -0.084 -0.049 0.170) 0.196 32.578 ( -0.176 -0.102 -0.139) 0.246 32.623 ( 0.860 0.496 0.122) 1.000 41.736 ( -0.625 -0.361 -10.489) 10.514 42.920 ( -2.676 -1.545 -18.520) 18.776 43.170 ( -1.555 -0.898 12.680) 12.806 44.476 ( 7.472 4.314 0.532) 8.644 ======================= Grid point 567 (180/231) ======================= q-point: ( 0.31 0.31 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( 0.000 14.147 24.884) 28.624 1.974 ( 0.000 19.144 25.055) 31.532 3.183 ( 0.000 15.510 46.012) 48.555 3.607 ( -0.000 0.280 -15.672) 15.674 3.853 ( -0.000 16.074 -14.058) 21.354 5.181 ( 0.000 -12.222 14.203) 18.738 5.545 ( 0.000 5.628 17.210) 18.106 5.733 ( 0.000 -0.978 7.976) 8.036 6.240 ( -0.000 -0.898 -10.939) 10.976 6.586 ( -0.000 2.291 -17.246) 17.398 6.778 ( -0.000 -9.247 -14.710) 17.375 7.070 ( -0.000 6.770 -10.274) 12.304 9.077 ( 0.000 -23.250 10.444) 25.488 9.147 ( 0.000 -5.267 0.709) 5.315 9.324 ( -0.000 -3.335 -2.361) 4.086 9.364 ( 0.000 -0.341 2.213) 2.240 10.477 ( 0.000 -11.178 9.499) 14.669 11.829 ( -0.000 27.361 -18.724) 33.155 21.540 ( 0.000 -1.661 -0.297) 1.688 21.559 ( 0.000 -1.998 -0.704) 2.118 21.570 ( 0.000 -0.738 0.562) 0.927 21.606 ( -0.000 0.002 -0.012) 0.012 24.183 ( 0.000 -0.084 0.886) 0.890 24.248 ( 0.000 -2.585 0.231) 2.596 32.628 ( 0.000 -0.802 0.249) 0.839 32.647 ( 0.000 -1.341 -0.243) 1.363 41.440 ( 0.000 -4.504 3.236) 5.546 42.019 ( -0.000 -1.920 -6.499) 6.776 42.178 ( -0.000 46.821 -6.637) 47.289 42.369 ( -0.000 16.906 -4.075) 17.391 ======================= Grid point 568 (181/231) ======================= q-point: ( 0.38 0.31 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( -1.993 19.729 22.512) 30.000 2.453 ( 14.721 17.324 23.912) 32.995 3.608 ( 12.295 0.338 -8.890) 15.176 3.715 ( 12.282 20.677 29.328) 37.928 4.002 ( 5.893 19.894 -12.143) 24.041 5.073 ( -7.359 -11.148 12.360) 18.199 5.518 ( -10.427 0.775 11.596) 15.614 5.934 ( 12.307 1.796 11.312) 16.812 6.178 ( -0.141 -2.097 -7.742) 8.022 6.501 ( -3.155 1.389 -17.964) 18.292 6.615 ( 0.785 -4.786 -15.285) 16.036 7.096 ( 1.437 6.047 -9.055) 10.983 8.833 ( -5.900 -16.004 10.638) 20.102 9.141 ( 0.109 -7.186 -0.174) 7.189 9.300 ( -3.304 -1.388 1.367) 3.835 9.360 ( 4.671 -7.763 -1.370) 9.163 10.434 ( 3.966 -12.402 14.021) 19.134 11.840 ( -15.586 20.253 -20.925) 33.030 21.498 ( -2.538 -1.657 -0.359) 3.052 21.519 ( -1.579 -1.960 -0.642) 2.598 21.576 ( 1.165 -1.188 0.391) 1.709 21.607 ( 0.188 -0.842 -0.090) 0.868 24.185 ( -0.104 -0.137 0.737) 0.756 24.216 ( -1.073 -1.872 0.607) 2.241 32.615 ( -0.581 -0.944 0.159) 1.120 32.627 ( -0.679 -0.968 -0.354) 1.235 41.612 ( 21.124 -7.041 2.230) 22.378 41.933 ( -4.419 2.379 -7.544) 9.061 42.560 ( 10.275 23.405 -5.075) 26.060 42.689 ( 7.710 35.738 -10.878) 38.144 ======================= Grid point 569 (182/231) ======================= q-point: ( 0.46 0.31 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( 6.390 21.402 18.649) 29.098 2.964 ( 13.770 14.303 24.297) 31.377 3.792 ( 17.814 1.347 -13.482) 22.381 4.177 ( 8.005 20.947 -9.908) 24.516 4.419 ( 19.610 17.701 23.414) 35.300 4.872 ( -11.893 -9.450 10.011) 18.192 5.430 ( -7.427 1.824 8.847) 11.694 6.056 ( -2.203 -6.134 -10.897) 12.697 6.210 ( 9.925 -0.785 4.052) 10.749 6.366 ( 0.320 -2.806 -7.677) 8.180 6.579 ( 1.457 6.928 -13.249) 15.022 7.135 ( 2.027 5.037 -6.968) 8.833 8.679 ( -3.194 -14.098 9.442) 17.266 9.002 ( -9.407 -9.762 -3.224) 13.935 9.116 ( -10.169 -2.256 0.563) 10.431 9.410 ( 9.508 -9.735 -1.496) 13.690 10.567 ( 12.244 -8.033 21.494) 26.008 11.508 ( -29.334 13.097 -19.979) 37.831 21.436 ( -2.885 -1.303 -0.038) 3.166 21.469 ( -1.841 -1.652 -0.547) 2.533 21.583 ( 0.822 -1.571 -0.045) 1.774 21.589 ( -0.794 -1.418 -0.343) 1.661 24.185 ( -0.177 -0.126 0.454) 0.503 24.191 ( -0.690 -0.895 0.613) 1.285 32.597 ( -0.678 -0.692 0.090) 0.973 32.608 ( -0.526 -0.396 -0.548) 0.857 41.831 ( -0.314 2.602 -7.134) 7.600 41.972 ( 22.406 -6.242 0.659) 23.268 42.925 ( 8.986 23.250 -8.247) 26.255 43.071 ( 11.100 23.583 -7.340) 27.079 ======================= Grid point 570 (183/231) ======================= q-point: ( 0.54 0.31 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.741 ( 11.158 21.060 14.415) 27.854 3.432 ( 13.044 12.002 23.094) 29.112 4.063 ( 19.109 1.876 -8.614) 21.045 4.417 ( 6.980 16.979 -11.975) 21.919 4.608 ( -14.756 -8.422 7.783) 18.688 4.975 ( 14.331 10.538 15.698) 23.724 5.430 ( 0.540 5.309 6.600) 8.488 5.837 ( -6.617 -6.466 -15.643) 18.174 6.271 ( 4.782 -4.401 -5.019) 8.211 6.425 ( 8.231 -2.100 -6.520) 10.708 6.657 ( 1.546 9.828 1.829) 10.116 7.189 ( 2.998 3.911 -4.520) 6.687 8.527 ( -4.584 -14.544 7.235) 16.879 8.634 ( -16.503 -11.934 -4.122) 20.779 8.996 ( -5.349 -0.032 0.327) 5.359 9.442 ( 6.402 -9.353 -2.449) 11.596 10.867 ( 15.290 -5.505 26.476) 31.066 10.980 ( -33.898 9.732 -17.714) 39.467 21.383 ( -2.465 -0.586 0.224) 2.544 21.430 ( -0.805 -1.096 -0.138) 1.367 21.545 ( -2.143 -1.819 -0.276) 2.824 21.575 ( 0.160 -1.923 -0.721) 2.060 24.182 ( -0.163 -0.165 0.283) 0.366 24.183 ( -0.163 -0.185 0.330) 0.412 32.584 ( -0.320 -0.202 0.137) 0.403 32.597 ( -0.288 -0.014 -0.616) 0.680 41.797 ( -1.898 5.700 -9.531) 11.267 42.311 ( 24.406 -8.462 1.615) 25.881 43.150 ( -1.178 23.341 -12.893) 26.691 43.463 ( 16.929 11.884 1.819) 20.763 ======================= Grid point 571 (184/231) ======================= q-point: ( 0.62 0.31 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.194 ( 11.983 18.561 11.440) 24.879 3.859 ( 12.460 9.672 20.356) 25.751 4.260 ( -7.625 -5.578 6.759) 11.617 4.351 ( -0.796 0.668 -2.286) 2.511 4.627 ( 10.212 11.100 -9.727) 17.948 5.195 ( 3.855 3.643 -1.356) 5.475 5.589 ( -4.328 -3.964 -12.486) 13.796 5.652 ( 7.911 5.528 7.188) 12.033 6.273 ( 2.714 -4.968 -3.029) 6.421 6.483 ( 7.441 -0.551 -13.952) 15.822 6.787 ( 0.885 5.212 9.865) 11.192 7.262 ( 4.231 2.261 -2.117) 5.244 8.233 ( -15.149 -10.310 -3.617) 18.678 8.343 ( -6.326 -12.397 4.485) 14.623 8.926 ( -4.050 1.707 -0.780) 4.463 9.421 ( 2.463 -7.220 -2.448) 8.012 10.429 ( -30.960 7.961 -15.061) 35.337 11.227 ( 16.087 -5.275 28.961) 33.546 21.346 ( -1.749 0.079 0.137) 1.757 21.426 ( 1.009 -0.309 0.474) 1.157 21.485 ( -2.694 -1.793 -0.306) 3.251 21.546 ( -0.713 -2.154 -0.867) 2.429 24.179 ( -0.204 -0.009 -0.046) 0.209 24.184 ( 0.180 -0.006 0.309) 0.357 32.585 ( 0.201 0.278 0.248) 0.423 32.591 ( -0.211 0.175 -0.525) 0.592 41.779 ( -1.225 6.209 -9.897) 11.747 42.602 ( 20.344 -8.890 -1.826) 22.277 43.235 ( -5.164 18.404 -7.680) 20.600 43.840 ( 15.546 7.416 3.259) 17.530 ======================= Grid point 572 (185/231) ======================= q-point: ( 0.69 0.31 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.548 ( 4.176 8.542 10.896) 14.461 3.969 ( -13.381 -2.997 3.101) 14.059 4.240 ( 10.721 7.861 15.366) 20.319 4.354 ( -7.970 0.720 6.086) 10.054 4.857 ( 11.514 5.950 -9.202) 15.895 5.281 ( 5.892 4.666 -7.837) 10.859 5.435 ( -1.075 -1.710 -9.655) 9.864 5.836 ( 4.397 0.367 5.832) 7.313 6.223 ( -0.885 -4.041 -5.664) 7.014 6.508 ( 4.978 -3.199 -11.769) 13.173 6.887 ( 1.212 2.062 10.540) 10.807 7.336 ( 4.210 -0.417 -0.993) 4.346 7.915 ( -11.465 -5.320 -3.680) 13.164 8.165 ( -5.074 -8.089 2.872) 9.972 8.890 ( -2.517 4.341 -2.926) 5.808 9.370 ( -1.501 -3.151 -0.647) 3.550 9.983 ( -21.922 4.669 -11.101) 25.013 11.585 ( 15.641 -5.905 28.092) 32.690 21.330 ( -0.665 0.688 -0.124) 0.964 21.425 ( -2.406 -1.316 -0.125) 2.745 21.458 ( 2.322 0.027 0.639) 2.408 21.507 ( -0.973 -1.879 -0.590) 2.196 24.175 ( -0.257 0.007 -0.151) 0.298 24.189 ( 0.213 0.048 0.220) 0.310 32.586 ( -0.264 0.211 -0.364) 0.497 32.598 ( 0.593 0.592 0.306) 0.892 41.766 ( -1.551 6.023 -9.584) 11.425 42.771 ( 12.760 -7.607 -9.079) 17.410 43.275 ( -5.507 12.546 1.743) 13.812 44.142 ( 12.740 4.180 2.202) 13.588 ======================= Grid point 573 (186/231) ======================= q-point: (-0.23 0.31 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.439 ( -17.310 -9.359 10.605) 22.354 3.949 ( 0.658 8.135 0.421) 8.172 4.162 ( -17.550 -2.935 7.584) 19.343 4.535 ( 9.370 3.444 11.153) 14.968 4.967 ( 1.161 4.500 -6.043) 7.623 5.375 ( 4.546 4.066 -5.135) 7.973 5.462 ( 8.346 -0.235 -6.416) 10.529 5.884 ( 0.128 -1.427 3.008) 3.332 6.118 ( -3.230 -2.395 -7.405) 8.426 6.441 ( -0.530 -6.846 -9.617) 11.817 6.992 ( 3.800 1.209 9.110) 9.945 7.368 ( 2.596 -3.307 -2.049) 4.677 7.733 ( -5.504 0.316 -3.178) 6.363 8.082 ( -0.004 -1.890 2.453) 3.097 8.895 ( -0.958 6.859 -5.030) 8.560 9.308 ( -5.668 1.837 2.080) 6.310 9.686 ( -11.061 -0.173 -7.356) 13.285 11.917 ( 15.500 -7.005 24.590) 29.899 21.336 ( 0.475 1.038 -0.475) 1.237 21.385 ( -1.429 -0.194 0.231) 1.461 21.469 ( -0.244 -1.693 -0.247) 1.728 21.511 ( 2.514 0.147 0.397) 2.550 24.169 ( -0.349 -0.011 -0.146) 0.378 24.193 ( 0.047 -0.021 0.157) 0.166 32.582 ( -0.319 0.201 -0.195) 0.424 32.616 ( 0.707 0.633 0.172) 0.964 41.738 ( -2.837 5.543 -8.718) 10.714 42.788 ( 4.161 -4.462 -14.280) 15.529 43.307 ( -4.831 5.669 8.529) 11.323 44.362 ( 9.943 1.709 -0.200) 10.091 ======================= Grid point 581 (187/231) ======================= q-point: ( 0.38 0.38 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.326 ( 0.000 21.766 20.604) 29.971 2.614 ( 0.000 22.636 21.187) 31.004 3.472 ( -0.000 4.043 -12.697) 13.325 3.997 ( 0.000 22.107 33.985) 40.543 4.072 ( -0.000 21.195 -14.838) 25.873 5.093 ( 0.000 -11.479 13.523) 17.738 5.732 ( 0.000 0.934 5.583) 5.661 5.819 ( 0.000 0.861 8.024) 8.070 6.111 ( -0.000 -5.189 -5.559) 7.605 6.418 ( -0.000 -10.897 -16.440) 19.724 6.533 ( -0.000 10.773 -12.306) 16.356 7.102 ( -0.000 7.232 -9.393) 11.855 8.753 ( 0.000 -22.606 12.796) 25.976 9.039 ( 0.000 -6.437 -0.249) 6.442 9.228 ( -0.000 -3.492 -3.810) 5.168 9.401 ( 0.000 0.323 3.762) 3.776 10.288 ( 0.000 -20.363 13.213) 24.274 12.085 ( -0.000 21.444 -22.074) 30.775 21.497 ( 0.000 -2.594 -0.805) 2.716 21.512 ( -0.000 -1.471 -0.949) 1.751 21.554 ( 0.000 -1.829 1.065) 2.116 21.595 ( 0.000 -1.157 0.181) 1.171 24.188 ( 0.000 -0.208 0.662) 0.694 24.209 ( 0.000 -1.857 0.516) 1.928 32.610 ( 0.000 -1.132 0.108) 1.137 32.621 ( 0.000 -1.001 -0.365) 1.066 41.404 ( 0.000 -2.251 2.383) 3.279 41.986 ( -0.000 4.626 -4.586) 6.514 42.599 ( -0.000 16.503 -3.032) 16.779 42.982 ( -0.000 41.122 -13.447) 43.265 ======================= Grid point 582 (188/231) ======================= q-point: ( 0.46 0.38 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.606 ( -2.027 24.624 18.696) 30.983 3.037 ( 10.051 19.576 19.492) 29.397 3.536 ( 8.892 6.783 -11.850) 16.294 4.220 ( 3.557 20.348 -14.169) 25.049 4.460 ( 11.070 17.959 26.225) 33.657 5.004 ( -7.006 -8.808 13.194) 17.342 5.635 ( -9.302 2.591 4.856) 10.808 5.932 ( 2.818 -5.987 -7.622) 10.093 6.075 ( 6.743 -1.825 -0.563) 7.008 6.233 ( 0.578 -9.536 -13.121) 16.230 6.616 ( 0.872 13.049 -4.333) 13.777 7.129 ( 0.787 6.652 -8.495) 10.818 8.602 ( -0.991 -19.458 11.004) 22.376 8.983 ( -0.735 -8.610 -2.082) 8.889 9.186 ( 2.568 -6.963 -3.050) 8.024 9.301 ( -11.326 -1.343 2.478) 11.671 10.306 ( 15.424 -17.740 17.612) 29.373 11.987 ( -19.907 17.347 -21.015) 33.747 21.455 ( -1.349 -2.481 -0.526) 2.873 21.480 ( -1.617 -1.015 -1.021) 2.165 21.549 ( 0.890 -2.252 0.838) 2.563 21.583 ( -0.198 -1.573 0.086) 1.587 24.188 ( -0.123 -0.188 0.441) 0.495 24.193 ( -0.351 -1.180 0.489) 1.324 32.598 ( -0.316 -0.914 0.049) 0.968 32.608 ( -0.307 -0.547 -0.466) 0.782 41.537 ( 15.876 -3.078 1.661) 16.257 41.965 ( -5.786 7.460 -4.381) 10.408 42.857 ( 12.689 15.272 -1.218) 19.893 43.262 ( -0.885 32.908 -13.101) 35.431 ======================= Grid point 583 (189/231) ======================= q-point: ( 0.54 0.38 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.946 ( 2.435 26.238 16.338) 31.005 3.467 ( 11.371 14.832 15.164) 24.067 3.763 ( 15.310 8.132 -5.955) 18.329 4.394 ( 5.333 15.108 -14.623) 21.692 4.786 ( -5.714 -5.479 10.921) 13.488 4.972 ( 5.971 9.851 17.005) 20.540 5.547 ( -5.790 2.396 1.417) 6.425 5.801 ( -3.387 -4.738 -8.759) 10.519 6.113 ( 3.565 -5.966 -6.109) 9.253 6.225 ( 9.168 -1.234 -7.893) 12.160 6.750 ( 1.137 10.981 3.931) 11.719 7.165 ( 1.553 5.103 -6.973) 8.779 8.456 ( -1.560 -18.113 8.591) 20.108 8.740 ( -12.975 -13.017 -4.171) 18.846 9.101 ( -5.284 -1.540 1.821) 5.797 9.222 ( 4.822 -5.616 -3.684) 8.268 10.584 ( 22.125 -14.270 22.521) 34.646 11.589 ( -32.903 14.860 -18.587) 40.607 21.411 ( -1.335 -1.440 0.051) 1.965 21.436 ( -1.802 -0.858 -0.834) 2.163 21.543 ( 0.683 -2.603 0.262) 2.704 21.555 ( -1.246 -1.839 -0.162) 2.227 24.183 ( -0.138 -0.536 0.393) 0.678 24.186 ( -0.190 -0.084 0.180) 0.275 32.587 ( -0.218 -0.403 0.081) 0.465 32.598 ( -0.239 -0.044 -0.535) 0.587 41.818 ( 17.275 -2.431 0.404) 17.450 41.929 ( -1.249 7.061 -5.523) 9.051 43.231 ( 14.242 13.007 1.477) 19.344 43.445 ( -1.170 23.643 -10.489) 25.892 ======================= Grid point 584 (190/231) ======================= q-point: ( 0.62 0.38 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.331 ( 4.792 24.731 13.557) 28.607 3.857 ( 12.121 11.456 12.711) 20.970 4.104 ( 17.641 8.486 -1.101) 19.607 4.446 ( -6.038 -1.010 -6.073) 8.623 4.666 ( -4.644 5.858 2.999) 8.055 5.142 ( 2.866 -1.529 -5.336) 6.247 5.570 ( 1.927 1.537 3.432) 4.225 5.687 ( -4.423 3.828 0.488) 5.870 6.117 ( 6.683 -7.711 -1.616) 10.330 6.297 ( 6.281 0.987 -13.269) 14.714 6.880 ( 0.193 6.320 8.382) 10.500 7.205 ( 2.841 2.407 -5.119) 6.330 8.291 ( -3.766 -15.754 5.761) 17.192 8.370 ( -13.196 -11.145 -3.740) 17.673 9.029 ( -5.421 3.316 -0.094) 6.356 9.242 ( 6.950 -7.154 -3.796) 10.672 10.949 ( 22.390 -13.985 24.721) 36.167 11.046 ( -36.793 13.203 -15.329) 41.988 21.381 ( -1.914 0.152 0.097) 1.922 21.409 ( 0.287 -1.054 -0.072) 1.095 21.506 ( -2.166 -1.859 -0.261) 2.866 21.524 ( 0.058 -2.748 -0.269) 2.762 24.182 ( 0.103 -0.132 0.248) 0.299 24.183 ( -0.169 0.013 0.014) 0.170 32.585 ( 0.146 0.143 0.199) 0.285 32.593 ( -0.162 0.300 -0.501) 0.606 41.871 ( -5.092 9.985 -5.255) 12.379 42.163 ( 21.794 -5.223 -2.705) 22.574 43.466 ( -3.784 17.268 -2.810) 17.900 43.667 ( 14.044 8.465 -0.660) 16.411 ======================= Grid point 585 (191/231) ======================= q-point: ( 0.69 0.38 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.670 ( 2.131 15.769 12.787) 20.414 4.183 ( -5.725 2.336 8.260) 10.318 4.214 ( 1.627 1.926 2.447) 3.513 4.435 ( 9.324 8.860 0.139) 12.863 4.732 ( 3.482 7.075 -1.717) 8.070 5.140 ( 6.858 0.162 -12.226) 14.019 5.494 ( -8.482 0.924 -0.490) 8.546 5.783 ( 5.176 -0.544 5.567) 7.620 6.135 ( 3.339 -5.616 -1.683) 6.747 6.321 ( 5.597 -1.886 -12.974) 14.255 6.955 ( -1.033 1.972 8.865) 9.140 7.246 ( 3.898 -1.434 -3.502) 5.433 8.038 ( -11.492 -6.101 -2.604) 13.269 8.156 ( -2.937 -10.433 3.106) 11.275 8.985 ( -4.369 6.176 -2.517) 7.973 9.276 ( 5.900 -4.570 -2.012) 7.729 10.491 ( -34.714 11.308 -12.072) 38.453 11.309 ( 21.870 -15.594 24.620) 36.436 21.356 ( -1.535 0.837 -0.126) 1.753 21.421 ( 1.763 -0.847 0.456) 2.009 21.451 ( -2.201 -1.357 -0.227) 2.596 21.494 ( -0.323 -2.510 -0.332) 2.553 24.179 ( -0.267 0.115 -0.118) 0.313 24.186 ( 0.281 -0.018 0.194) 0.342 32.592 ( -0.208 0.456 -0.347) 0.609 32.596 ( 0.481 0.506 0.249) 0.742 41.858 ( -4.894 10.400 -5.625) 12.797 42.420 ( 17.351 -5.005 -5.709) 18.939 43.506 ( -6.877 13.195 0.290) 14.882 43.961 ( 14.051 2.935 0.934) 14.384 ======================= Grid point 586 (192/231) ======================= q-point: (-0.23 0.38 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.679 ( -14.282 -6.178 10.663) 18.864 4.065 ( -3.508 7.349 -0.114) 8.144 4.380 ( -2.626 -1.754 5.089) 5.989 4.547 ( -1.757 12.807 5.033) 13.872 4.936 ( 8.914 8.954 0.125) 12.636 5.254 ( 11.060 0.734 -8.851) 14.184 5.380 ( -4.033 1.316 -0.712) 4.302 5.848 ( 3.290 -4.627 3.091) 6.465 6.096 ( -1.062 -1.330 -6.147) 6.379 6.300 ( 3.147 -6.821 -8.451) 11.307 6.999 ( 0.945 -0.233 7.714) 7.775 7.258 ( 3.524 -4.816 -3.779) 7.063 7.837 ( -7.835 0.061 -2.471) 8.216 8.070 ( -0.302 -4.645 3.028) 5.553 8.980 ( -2.772 8.747 -4.286) 10.127 9.329 ( 3.913 -0.462 0.307) 3.952 10.012 ( -27.681 7.522 -8.221) 29.839 11.621 ( 20.534 -17.626 21.671) 34.670 21.346 ( -0.659 1.207 -0.307) 1.409 21.406 ( -1.400 -0.557 -0.008) 1.507 21.444 ( 0.974 -1.614 -0.180) 1.894 21.477 ( 1.248 -1.199 0.394) 1.775 24.174 ( -0.340 0.139 -0.120) 0.386 24.191 ( 0.197 -0.033 0.127) 0.237 32.590 ( -0.368 0.466 -0.231) 0.637 32.612 ( 0.633 0.584 0.205) 0.886 41.845 ( -5.304 10.340 -5.184) 12.725 42.567 ( 10.129 -3.651 -9.268) 14.207 43.508 ( -6.935 8.323 4.929) 11.903 44.186 ( 11.672 -0.377 -0.785) 11.704 ======================= Grid point 595 (193/231) ======================= q-point: ( 0.46 0.46 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.929 ( 0.000 21.473 12.749) 24.972 3.259 ( 0.000 23.595 17.643) 29.462 3.507 ( -0.000 11.834 -6.712) 13.605 4.292 ( -0.000 17.723 -16.090) 23.938 4.646 ( 0.000 11.432 20.244) 23.249 5.071 ( 0.000 -4.421 16.373) 16.959 5.762 ( -0.000 3.037 -4.069) 5.077 5.873 ( -0.000 -3.211 -1.820) 3.691 5.886 ( -0.000 -9.173 -8.952) 12.817 6.110 ( -0.000 -3.269 -5.609) 6.492 6.729 ( -0.000 13.685 0.307) 13.688 7.142 ( -0.000 6.663 -8.764) 11.009 8.476 ( 0.000 -19.692 10.499) 22.316 8.889 ( 0.000 -8.705 -1.639) 8.858 9.104 ( -0.000 -5.753 -3.399) 6.683 9.445 ( 0.000 -0.483 4.538) 4.564 10.020 ( 0.000 -22.230 15.651) 27.186 12.198 ( -0.000 14.907 -21.927) 26.515 21.433 ( 0.000 -3.018 -0.770) 3.115 21.482 ( -0.000 -0.419 -1.455) 1.514 21.524 ( 0.000 -2.533 1.322) 2.857 21.571 ( 0.000 -1.666 0.458) 1.728 24.187 ( 0.000 -1.008 0.405) 1.086 24.189 ( 0.000 -0.161 0.306) 0.345 32.591 ( 0.000 -0.844 0.021) 0.845 32.603 ( -0.000 -0.405 -0.489) 0.635 41.405 ( 0.000 -0.355 2.535) 2.560 42.093 ( -0.000 8.164 0.980) 8.222 42.878 ( -0.000 16.471 -4.149) 16.985 43.501 ( -0.000 27.819 -11.483) 30.096 ======================= Grid point 596 (194/231) ======================= q-point: ( 0.54 0.46 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.219 ( 5.128 21.589 8.608) 23.800 3.526 ( 0.274 19.269 2.488) 19.431 3.718 ( 7.474 14.772 11.629) 20.231 4.386 ( 2.827 13.876 -15.651) 21.106 4.802 ( 2.897 -2.271 7.668) 8.506 5.117 ( -3.588 2.003 14.365) 14.941 5.628 ( -6.612 -5.734 -6.114) 10.676 5.783 ( 1.390 3.990 -0.714) 4.285 5.934 ( 6.359 -7.187 -9.171) 13.274 6.120 ( 1.522 4.465 0.645) 4.761 6.864 ( 0.398 11.210 3.626) 11.789 7.161 ( 0.337 5.581 -8.072) 9.820 8.341 ( -0.433 -18.516 8.575) 20.410 8.752 ( -5.501 -12.708 -3.399) 14.258 9.027 ( 1.189 -7.271 -1.004) 7.436 9.316 ( -11.105 0.059 2.543) 11.392 10.146 ( 22.934 -17.848 17.283) 33.812 12.057 ( -18.661 13.049 -21.053) 31.012 21.400 ( -0.187 -2.555 -0.488) 2.608 21.459 ( -1.552 0.018 -1.324) 2.040 21.510 ( 0.443 -2.772 1.039) 2.993 21.553 ( -0.560 -1.780 0.352) 1.899 24.181 ( -0.040 -0.615 0.329) 0.699 24.188 ( -0.110 -0.045 0.122) 0.170 32.585 ( -0.028 -0.481 0.054) 0.485 32.597 ( -0.074 -0.036 -0.517) 0.523 41.524 ( 12.248 -0.598 2.311) 12.478 42.117 ( -7.217 9.603 1.646) 12.125 43.117 ( 11.954 13.580 -2.523) 18.267 43.661 ( -2.729 21.981 -9.176) 23.975 ======================= Grid point 597 (195/231) ======================= q-point: ( 0.62 0.46 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.585 ( 6.160 21.915 11.519) 25.513 3.758 ( 9.848 16.742 -5.733) 20.252 4.038 ( 7.344 10.021 15.252) 19.672 4.465 ( 1.118 8.248 -12.118) 14.701 4.802 ( -3.009 -1.556 6.637) 7.451 5.040 ( -2.699 -6.342 -10.009) 12.153 5.588 ( 2.252 1.227 6.385) 6.881 5.819 ( -4.927 4.870 -2.471) 7.355 5.930 ( 6.618 -5.878 2.663) 9.243 6.186 ( 2.267 3.782 -6.092) 7.521 6.982 ( 0.069 6.856 6.235) 9.267 7.170 ( 0.356 3.018 -6.950) 7.585 8.202 ( -0.766 -16.240 6.362) 17.458 8.448 ( -11.627 -12.673 -3.731) 17.599 9.028 ( 6.171 -5.636 -0.105) 8.358 9.191 ( -7.107 3.092 -0.561) 7.771 10.490 ( 26.676 -18.450 19.353) 37.770 11.656 ( -30.770 12.395 -19.000) 38.228 21.380 ( 0.534 -1.680 0.023) 1.763 21.424 ( -2.084 0.407 -0.891) 2.302 21.494 ( 0.279 -2.870 0.484) 2.924 21.519 ( -1.557 -1.779 0.050) 2.364 24.179 ( 0.138 -0.277 0.250) 0.398 24.186 ( -0.183 0.092 -0.030) 0.207 32.584 ( 0.211 -0.035 0.159) 0.266 32.596 ( -0.018 0.345 -0.485) 0.595 41.780 ( 17.955 -1.478 1.120) 18.050 42.086 ( -8.396 11.052 0.209) 13.881 43.446 ( 14.853 8.308 0.185) 17.019 43.739 ( -5.087 16.816 -6.056) 18.583 ======================= Grid point 598 (196/231) ======================= q-point: ( 0.69 0.46 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.884 ( -0.303 13.109 15.699) 20.454 4.092 ( 14.375 10.279 -8.800) 19.742 4.308 ( 8.094 8.570 5.656) 13.074 4.394 ( -6.215 2.469 -3.307) 7.460 4.813 ( -1.534 6.612 5.349) 8.641 4.962 ( 6.122 -0.745 -12.661) 14.084 5.654 ( -2.746 0.062 5.106) 5.798 5.721 ( -2.454 -2.925 -2.922) 4.808 6.028 ( 4.842 -2.946 8.673) 10.361 6.192 ( 1.171 1.514 -11.560) 11.718 7.047 ( -2.110 2.225 7.703) 8.291 7.159 ( 1.514 -1.086 -6.162) 6.438 8.085 ( -0.802 -11.490 4.729) 12.451 8.152 ( -9.654 -7.060 -3.918) 12.585 9.102 ( 4.775 -0.350 0.535) 4.818 9.125 ( -2.304 2.783 -2.365) 4.318 10.844 ( 26.363 -21.014 19.483) 38.939 11.124 ( -35.626 11.615 -16.128) 40.795 21.385 ( 0.899 -0.678 0.464) 1.218 21.393 ( -1.323 0.418 -0.574) 1.502 21.471 ( -0.019 -2.619 0.084) 2.621 21.472 ( -2.074 -1.479 -0.134) 2.551 24.182 ( 0.298 -0.101 0.174) 0.360 24.184 ( -0.235 0.185 -0.106) 0.318 32.592 ( 0.518 0.288 0.259) 0.647 32.597 ( -0.063 0.588 -0.386) 0.706 42.049 ( 0.431 7.699 0.902) 7.763 42.078 ( 9.797 2.270 -2.692) 10.411 43.726 ( 4.314 7.914 2.441) 9.338 43.774 ( 2.872 7.682 -3.818) 9.046 ======================= Grid point 599 (197/231) ======================= q-point: ( 0.77 0.46 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.905 ( -12.541 -4.043 9.075) 15.999 4.081 ( 0.413 -8.458 -4.799) 9.733 4.479 ( -0.389 17.807 2.433) 17.977 4.651 ( 12.444 13.316 -0.077) 18.226 4.920 ( 2.336 9.146 6.765) 11.613 5.054 ( 8.629 2.326 -9.236) 12.852 5.516 ( -10.612 -0.258 2.191) 10.839 5.712 ( 5.676 -9.237 -0.602) 10.858 6.088 ( -0.876 0.371 1.098) 1.453 6.157 ( 2.983 -3.047 -6.654) 7.903 7.044 ( -2.634 -0.565 6.280) 6.833 7.137 ( 2.592 -4.536 -5.049) 7.265 7.948 ( -7.595 -1.117 -2.810) 8.175 8.029 ( 1.043 -6.349 3.194) 7.183 9.098 ( -3.704 8.490 -2.892) 9.704 9.226 ( 7.796 -0.195 1.210) 7.891 10.568 ( -34.400 9.747 -12.348) 37.826 11.148 ( 24.592 -24.000 17.307) 38.475 21.373 ( -1.268 1.106 -0.241) 1.700 21.404 ( 1.175 -1.090 0.132) 1.608 21.430 ( -1.288 -0.760 -0.124) 1.501 21.450 ( 0.378 -1.941 0.186) 1.987 24.181 ( -0.298 0.223 -0.100) 0.386 24.187 ( 0.308 -0.078 0.103) 0.334 32.599 ( -0.264 0.653 -0.236) 0.743 32.607 ( 0.674 0.358 0.224) 0.795 42.046 ( -7.429 12.406 -0.603) 14.473 42.304 ( 13.909 -1.880 -4.354) 14.695 43.737 ( -7.890 9.537 2.759) 12.681 43.970 ( 12.458 -1.640 -1.505) 12.656 ======================= Grid point 609 (198/231) ======================= q-point: ( 0.54 0.54 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.330 ( -0.000 17.798 -5.839) 18.731 3.817 ( 0.000 14.233 13.546) 19.649 3.848 ( 0.000 20.629 13.040) 24.405 4.404 ( -0.000 11.992 -15.276) 19.421 4.762 ( -0.000 -3.154 -1.696) 3.581 5.216 ( 0.000 -3.715 9.957) 10.628 5.557 ( -0.000 -11.303 -9.811) 14.967 5.789 ( 0.000 0.744 7.680) 7.716 5.851 ( -0.000 8.362 -6.373) 10.514 6.186 ( 0.000 6.446 3.972) 7.571 6.975 ( -0.000 8.919 2.071) 9.156 7.176 ( -0.000 6.129 -6.857) 9.197 8.211 ( 0.000 -18.102 7.468) 19.582 8.657 ( 0.000 -13.380 -2.676) 13.645 8.952 ( 0.000 -7.419 -0.390) 7.429 9.466 ( 0.000 -2.150 3.761) 4.332 9.812 ( 0.000 -15.417 13.977) 20.810 12.210 ( -0.000 10.952 -22.463) 24.990 21.373 ( 0.000 -2.488 -0.588) 2.556 21.467 ( -0.000 0.548 -1.611) 1.701 21.486 ( 0.000 -2.836 1.200) 3.080 21.544 ( 0.000 -1.780 0.724) 1.922 24.177 ( 0.000 -0.499 0.274) 0.569 24.190 ( 0.000 0.046 0.023) 0.051 32.581 ( 0.000 -0.348 0.083) 0.358 32.595 ( -0.000 0.129 -0.517) 0.533 41.444 ( 0.000 1.041 3.867) 4.005 42.296 ( 0.000 7.779 7.929) 11.108 43.119 ( -0.000 14.154 -6.409) 15.538 43.835 ( -0.000 18.385 -7.098) 19.708 ======================= Grid point 610 (199/231) ======================= q-point: ( 0.62 0.54 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.542 ( 10.179 16.324 -8.546) 21.051 3.968 ( -2.756 12.218 14.216) 18.947 4.122 ( 3.476 11.302 10.831) 16.035 4.458 ( 2.003 10.200 -12.549) 16.295 4.749 ( 4.078 0.387 -9.181) 10.054 5.089 ( -10.613 -6.515 3.188) 12.855 5.491 ( 7.045 -7.152 -4.202) 10.883 5.873 ( -0.697 2.621 4.792) 5.507 5.906 ( 1.574 5.249 4.163) 6.881 6.246 ( -2.967 6.472 2.369) 7.504 7.046 ( 0.680 4.363 -1.185) 4.572 7.198 ( -1.711 5.966 -2.624) 6.738 8.081 ( 0.303 -16.445 5.822) 17.448 8.456 ( -6.419 -13.960 -2.766) 15.612 8.901 ( 2.570 -5.516 0.786) 6.136 9.348 ( -8.333 0.556 1.921) 8.569 9.987 ( 22.461 -15.825 13.506) 30.616 12.051 ( -16.542 10.212 -22.219) 29.523 21.353 ( 0.516 -1.807 -0.313) 1.905 21.454 ( -1.391 0.911 -1.233) 2.069 21.466 ( 0.163 -2.801 0.829) 2.925 21.524 ( -0.816 -1.711 0.532) 1.969 24.175 ( 0.099 -0.313 0.223) 0.397 24.190 ( -0.098 0.148 -0.070) 0.190 32.580 ( 0.188 -0.110 0.159) 0.270 32.596 ( 0.084 0.410 -0.475) 0.633 41.561 ( 9.644 0.932 4.114) 10.526 42.343 ( -7.575 8.369 8.009) 13.841 43.301 ( 10.347 9.636 -5.140) 15.044 43.937 ( -3.221 15.137 -4.399) 16.089 ======================= Grid point 611 (200/231) ======================= q-point: ( 0.69 0.54 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.847 ( 14.101 9.480 -8.317) 18.918 4.069 ( 1.094 -2.189 11.600) 11.856 4.326 ( 3.317 14.344 -1.658) 14.815 4.475 ( -1.844 4.538 -6.333) 8.006 4.800 ( 6.057 3.113 -9.462) 11.658 4.968 ( -4.816 6.288 9.289) 12.208 5.522 ( 6.375 -7.767 -3.183) 10.540 5.845 ( -6.099 2.681 -1.550) 6.841 6.017 ( 2.475 0.018 11.794) 12.051 6.225 ( -5.764 3.733 -0.639) 6.897 7.068 ( 1.223 0.021 -4.217) 4.391 7.190 ( -4.548 3.012 2.200) 5.881 7.984 ( 1.598 -12.174 4.066) 12.935 8.207 ( -7.624 -8.401 -3.177) 11.781 8.953 ( 7.281 -2.365 1.507) 7.802 9.261 ( -5.861 3.975 0.002) 7.082 10.290 ( 25.760 -20.470 13.734) 35.654 11.663 ( -27.833 10.037 -20.505) 35.999 21.354 ( 1.292 -1.008 0.063) 1.640 21.429 ( -1.895 0.695 -0.529) 2.087 21.447 ( 0.051 -2.217 0.300) 2.238 21.490 ( -1.671 -1.348 0.107) 2.150 24.177 ( 0.257 -0.179 0.166) 0.355 24.189 ( -0.168 0.211 -0.116) 0.294 32.587 ( 0.488 0.076 0.238) 0.548 32.601 ( 0.130 0.659 -0.371) 0.768 41.792 ( 14.519 0.306 2.980) 14.825 42.323 ( -9.111 9.986 5.865) 14.735 43.540 ( 12.840 3.152 -3.084) 13.576 43.976 ( -5.917 12.413 -1.346) 13.817 ======================= Grid point 623 (201/231) ======================= q-point: ( 0.62 0.62 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.565 ( -0.000 15.928 -9.451) 18.521 4.066 ( 0.000 -9.132 11.442) 14.640 4.242 ( -0.000 10.005 2.179) 10.240 4.485 ( -0.000 10.732 -9.018) 14.018 4.703 ( -0.000 8.996 -9.519) 13.097 5.216 ( 0.000 -1.530 9.584) 9.706 5.281 ( -0.000 -6.152 -7.279) 9.531 5.927 ( -0.000 4.953 -5.174) 7.163 5.975 ( 0.000 0.319 17.229) 17.232 6.362 ( 0.000 6.602 4.054) 7.747 7.049 ( -0.000 2.544 -6.460) 6.943 7.277 ( -0.000 6.635 0.849) 6.689 7.950 ( 0.000 -15.729 5.099) 16.535 8.364 ( 0.000 -13.501 -1.953) 13.641 8.837 ( 0.000 -4.914 1.635) 5.179 9.432 ( 0.000 -4.415 1.523) 4.670 9.713 ( 0.000 -9.008 10.457) 13.802 12.158 ( -0.000 9.115 -23.949) 25.625 21.331 ( 0.000 -1.302 -0.260) 1.328 21.443 ( 0.000 -2.744 0.707) 2.834 21.471 ( -0.000 1.579 -1.325) 2.061 21.518 ( 0.000 -1.753 0.777) 1.917 24.172 ( 0.000 -0.278 0.201) 0.343 24.192 ( -0.000 0.183 -0.116) 0.217 32.579 ( 0.000 -0.087 0.195) 0.214 32.597 ( -0.000 0.559 -0.438) 0.710 41.523 ( 0.000 1.694 6.158) 6.387 42.532 ( 0.000 4.813 13.792) 14.608 43.265 ( -0.000 9.384 -9.216) 13.152 44.081 ( -0.000 13.347 -2.652) 13.608 ======================= Grid point 624 (202/231) ======================= q-point: (-0.31 -0.38 -0.77) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.713 ( 6.761 8.823 -9.701) 14.754 3.983 ( 2.282 -13.674 2.576) 14.100 4.358 ( 6.757 5.384 -2.521) 9.000 4.499 ( -3.944 4.090 -9.795) 11.323 4.782 ( 1.432 10.466 -0.728) 10.589 5.168 ( -4.284 8.020 6.975) 11.460 5.350 ( 5.318 -2.807 0.904) 6.081 5.919 ( -2.129 2.046 -4.413) 5.310 6.056 ( 0.405 -1.840 14.535) 14.656 6.382 ( -6.019 3.159 4.489) 8.146 7.033 ( 0.090 1.546 -7.693) 7.847 7.307 ( -3.677 3.659 2.353) 5.696 7.855 ( 2.111 -11.918 3.898) 12.715 8.205 ( -3.836 -9.034 -2.271) 10.074 8.847 ( 4.404 -1.747 2.601) 5.405 9.361 ( -3.086 -0.851 0.395) 3.225 9.825 ( 15.662 -13.528 9.379) 22.722 11.993 ( -14.807 9.055 -23.817) 29.471 21.329 ( 0.822 -0.512 0.025) 0.969 21.422 ( 0.135 -2.410 0.323) 2.436 21.468 ( -1.522 1.421 -0.632) 2.176 21.500 ( -0.759 -1.143 0.274) 1.400 24.172 ( 0.154 -0.231 0.170) 0.325 24.192 ( -0.079 0.183 -0.142) 0.244 32.581 ( 0.303 -0.050 0.232) 0.385 32.603 ( 0.176 0.741 -0.344) 0.836 41.640 ( 7.723 1.347 6.560) 10.222 42.582 ( -6.919 5.175 12.643) 15.314 43.367 ( 8.487 4.175 -7.624) 12.149 44.163 ( -3.359 11.657 -0.807) 12.159 ======================= Grid point 637 (203/231) ======================= q-point: (-0.31 -0.31 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.640 ( -0.000 -8.109 -10.452) 13.229 3.860 ( -0.000 -1.698 -1.026) 1.984 4.251 ( -0.000 -7.965 -4.708) 9.252 4.551 ( -0.000 9.020 -14.521) 17.094 4.860 ( 0.000 5.122 6.445) 8.232 5.267 ( 0.000 5.799 4.389) 7.273 5.391 ( 0.000 8.466 7.325) 11.195 5.919 ( -0.000 -0.244 -4.152) 4.159 6.102 ( 0.000 -3.696 13.421) 13.920 6.479 ( 0.000 -0.533 6.087) 6.110 7.012 ( -0.000 3.036 -8.959) 9.460 7.383 ( 0.000 2.714 1.365) 3.038 7.751 ( 0.000 -9.298 4.148) 10.181 8.147 ( 0.000 -6.563 -1.874) 6.826 8.811 ( 0.000 -0.394 3.474) 3.497 9.331 ( 0.000 -6.162 -1.326) 6.303 9.667 ( 0.000 -6.332 8.150) 10.321 12.073 ( -0.000 9.291 -25.316) 26.967 21.321 ( 0.000 0.320 0.213) 0.384 21.399 ( 0.000 -2.160 0.043) 2.160 21.493 ( 0.000 -1.558 0.489) 1.633 21.499 ( -0.000 2.409 -0.725) 2.516 24.169 ( 0.000 -0.265 0.170) 0.315 24.193 ( -0.000 0.113 -0.163) 0.198 32.579 ( 0.000 -0.119 0.221) 0.251 32.607 ( -0.000 0.856 -0.278) 0.900 41.630 ( 0.000 1.179 8.650) 8.730 42.752 ( 0.000 0.968 17.391) 17.417 43.280 ( -0.000 3.527 -11.382) 11.916 44.295 ( -0.000 10.700 -0.222) 10.702 ======================= Grid point 736 (204/231) ======================= q-point: ( 0.31 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.827 ( 0.000 -0.000 27.204) 27.204 1.827 ( 0.000 -0.000 27.204) 27.204 3.280 ( 0.000 -0.000 48.554) 48.554 3.568 ( -0.000 0.000 -16.366) 16.366 3.568 ( -0.000 0.000 -16.366) 16.366 5.492 ( 0.000 -0.000 17.910) 17.910 5.492 ( 0.000 -0.000 17.910) 17.910 5.778 ( 0.000 -0.000 6.695) 6.695 6.157 ( -0.000 0.000 -18.274) 18.274 6.491 ( -0.000 0.000 -14.653) 14.653 6.867 ( -0.000 0.000 -13.771) 13.771 6.867 ( -0.000 0.000 -13.771) 13.771 9.253 ( 0.000 -0.000 1.993) 1.993 9.253 ( 0.000 -0.000 1.993) 1.993 9.389 ( 0.000 0.000 -1.095) 1.095 9.389 ( -0.000 -0.000 -1.095) 1.095 10.624 ( 0.000 -0.000 8.937) 8.937 11.465 ( -0.000 0.000 -9.761) 9.761 21.569 ( 0.000 0.000 0.146) 0.146 21.569 ( -0.000 -0.000 0.146) 0.146 21.590 ( 0.000 0.000 -0.308) 0.308 21.590 ( -0.000 -0.000 -0.308) 0.308 24.189 ( 0.000 -0.000 1.057) 1.057 24.274 ( -0.000 0.000 -0.769) 0.769 32.638 ( 0.000 -0.000 0.316) 0.316 32.662 ( -0.000 0.000 -0.307) 0.307 41.589 ( 0.000 0.000 5.869) 5.869 41.589 ( 0.000 -0.000 5.869) 5.869 42.103 ( 0.000 0.000 -5.659) 5.659 42.103 ( -0.000 -0.000 -5.659) 5.659 ======================= Grid point 737 (205/231) ======================= q-point: ( 0.38 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( 1.186 0.685 26.475) 26.511 2.302 ( 19.409 11.206 24.408) 33.136 3.514 ( 7.096 4.097 -17.855) 19.646 3.596 ( 7.887 4.554 1.128) 9.177 3.700 ( 14.056 8.115 27.048) 31.544 5.340 ( -12.655 -7.306 14.698) 20.726 5.605 ( -5.955 -3.438 13.852) 15.465 5.937 ( 10.337 5.968 13.483) 18.007 6.093 ( 2.845 1.643 -17.661) 17.964 6.397 ( -2.117 -1.222 -15.656) 15.846 6.644 ( -5.845 -3.374 -15.422) 16.834 6.938 ( 5.948 3.434 -12.216) 14.014 9.071 ( -11.206 -6.470 4.852) 13.819 9.252 ( -5.704 -3.293 -0.493) 6.605 9.318 ( -0.613 -0.354 1.661) 1.805 9.461 ( 3.294 1.902 -0.634) 3.856 10.631 ( -2.193 -1.266 11.880) 12.147 11.495 ( 2.368 1.367 -15.656) 15.893 21.529 ( -2.564 -1.480 0.015) 2.961 21.549 ( -2.072 -1.197 -0.449) 2.435 21.585 ( 0.518 0.299 0.299) 0.669 21.610 ( 0.517 0.299 -0.290) 0.664 24.192 ( -0.190 -0.110 0.980) 1.004 24.248 ( -1.733 -1.001 -0.210) 2.012 32.630 ( -0.767 -0.443 0.252) 0.921 32.644 ( -1.240 -0.716 -0.204) 1.446 41.803 ( 19.829 11.448 -5.878) 23.639 41.827 ( 10.759 6.212 8.193) 14.882 41.908 ( -3.974 -2.295 -7.682) 8.948 42.366 ( 16.753 9.672 -3.468) 19.653 ======================= Grid point 738 (206/231) ======================= q-point: ( 0.46 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( 10.086 5.823 22.743) 25.551 2.851 ( 18.510 10.687 23.683) 31.901 3.671 ( 15.067 8.699 -17.839) 24.918 3.775 ( 13.020 7.517 -13.353) 20.108 4.278 ( 20.885 12.058 33.317) 41.129 5.106 ( -14.469 -8.354 11.395) 20.224 5.510 ( -7.362 -4.250 11.645) 14.417 6.066 ( -0.599 -0.346 -12.416) 12.436 6.238 ( -1.153 -0.666 -21.358) 21.399 6.258 ( 10.838 6.258 15.916) 20.247 6.481 ( -2.087 -1.205 -14.059) 14.264 7.006 ( 5.581 3.222 -10.018) 11.911 8.893 ( -8.073 -4.661 6.707) 11.483 9.131 ( -5.243 -3.027 -0.357) 6.064 9.180 ( -11.831 -6.831 -2.314) 13.856 9.531 ( 2.877 1.661 0.013) 3.322 10.730 ( 4.552 2.628 19.439) 20.137 11.302 ( -11.387 -6.575 -19.314) 23.365 21.466 ( -3.021 -1.744 0.202) 3.494 21.497 ( -2.326 -1.343 -0.413) 2.717 21.595 ( 0.267 0.154 -0.097) 0.323 21.606 ( -0.804 -0.464 -0.400) 1.011 24.191 ( -0.327 -0.189 0.678) 0.777 24.212 ( -1.427 -0.824 0.300) 1.675 32.610 ( -1.040 -0.600 0.139) 1.209 32.617 ( -1.061 -0.613 -0.258) 1.252 41.763 ( -2.627 -1.517 -8.719) 9.232 42.137 ( 12.874 7.433 10.074) 17.958 42.274 ( 23.358 13.486 -18.113) 32.489 42.779 ( 21.026 12.139 -0.216) 24.280 ======================= Grid point 739 (207/231) ======================= q-point: ( 0.54 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.530 ( 15.329 8.850 17.534) 24.915 3.349 ( 15.941 9.204 22.834) 29.329 3.964 ( 18.999 10.969 -15.807) 27.039 4.016 ( 14.287 8.249 -11.725) 20.240 4.829 ( -15.887 -9.172 9.701) 20.752 4.881 ( 18.404 10.626 24.634) 32.534 5.435 ( -3.302 -1.906 8.910) 9.691 5.861 ( -8.553 -4.938 -16.651) 19.359 6.231 ( 6.753 3.899 -13.683) 15.749 6.387 ( 0.119 0.069 -15.189) 15.189 6.554 ( 8.402 4.851 15.319) 18.133 7.084 ( 5.761 3.326 -7.317) 9.889 8.749 ( -8.731 -5.041 5.823) 11.642 8.824 ( -17.589 -10.155 -4.661) 20.838 9.024 ( -4.416 -2.549 0.357) 5.111 9.568 ( 0.255 0.147 -0.317) 0.433 10.846 ( -19.355 -11.174 -19.906) 29.928 11.014 ( 9.489 5.478 26.210) 28.408 21.405 ( -2.609 -1.506 0.454) 3.047 21.450 ( -1.635 -0.944 -0.082) 1.890 21.572 ( -2.016 -1.164 -0.562) 2.394 21.592 ( -0.436 -0.252 -0.623) 0.801 24.186 ( -0.329 -0.190 0.311) 0.491 24.191 ( -0.622 -0.359 0.364) 0.806 32.591 ( -0.692 -0.400 0.135) 0.811 32.597 ( -0.537 -0.310 -0.395) 0.735 41.688 ( -0.066 -0.038 -9.447) 9.448 42.483 ( 13.223 7.634 11.401) 19.056 42.603 ( 15.981 9.227 -21.939) 28.668 43.252 ( 20.784 12.000 2.580) 24.138 ======================= Grid point 740 (208/231) ======================= q-point: ( 0.62 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.975 ( 17.505 10.106 13.207) 24.145 3.790 ( 14.176 8.184 19.824) 25.709 4.247 ( 10.274 5.931 -6.365) 13.463 4.315 ( 18.863 10.890 -14.804) 26.336 4.512 ( -16.833 -9.718 10.147) 21.926 5.192 ( 0.784 0.453 10.842) 10.880 5.569 ( 11.227 6.482 9.762) 16.228 5.591 ( -7.467 -4.311 -16.490) 18.608 6.296 ( -0.249 -0.144 -6.098) 6.105 6.355 ( 8.127 4.692 -18.311) 20.576 6.773 ( 4.681 2.703 13.428) 14.475 7.186 ( 6.190 3.574 -4.139) 8.259 8.406 ( -17.535 -10.124 -4.965) 20.848 8.558 ( -11.045 -6.377 4.343) 13.473 8.937 ( -3.810 -2.200 0.379) 4.416 9.536 ( -2.853 -1.647 -0.608) 3.350 10.317 ( -18.333 -10.585 -18.385) 28.038 11.380 ( 10.149 5.860 29.276) 31.534 21.358 ( -1.902 -1.098 0.403) 2.233 21.432 ( -0.020 -0.011 0.570) 0.571 21.515 ( -2.728 -1.575 -0.600) 3.207 21.569 ( -1.252 -0.723 -0.950) 1.730 24.180 ( -0.259 -0.149 0.020) 0.299 24.186 ( -0.053 -0.031 0.290) 0.297 32.584 ( -0.048 -0.028 0.255) 0.261 32.588 ( -0.198 -0.114 -0.427) 0.484 41.655 ( 1.468 0.848 -9.624) 9.773 42.760 ( 9.074 5.239 -21.568) 23.978 42.819 ( 11.500 6.640 12.092) 17.960 43.691 ( 17.396 10.043 3.596) 20.406 ======================= Grid point 741 (209/231) ======================= q-point: ( 0.69 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.407 ( 15.276 8.820 10.518) 20.537 4.139 ( -17.148 -9.901 2.631) 19.975 4.163 ( 11.033 6.370 12.702) 17.990 4.380 ( 2.768 1.598 4.519) 5.535 4.672 ( 15.035 8.680 -6.242) 18.449 5.214 ( 0.857 0.495 0.449) 1.087 5.393 ( -2.669 -1.541 -13.200) 13.555 5.830 ( 6.458 3.729 7.093) 10.292 6.220 ( -1.570 -0.907 -12.021) 12.157 6.455 ( 5.819 3.360 -9.425) 11.575 6.909 ( 2.359 1.362 11.174) 11.501 7.302 ( 5.331 3.078 -1.667) 6.377 8.026 ( -14.355 -8.288 -4.627) 17.210 8.327 ( -10.934 -6.313 2.770) 12.925 8.860 ( -2.795 -1.614 -1.303) 3.481 9.445 ( -5.000 -2.887 -0.104) 5.774 9.902 ( -11.382 -6.571 -13.841) 19.086 11.744 ( 9.118 5.264 28.728) 30.597 21.328 ( -0.894 -0.516 0.151) 1.043 21.452 ( -2.683 -1.549 -0.438) 3.129 21.453 ( 1.475 0.851 0.975) 1.963 21.531 ( -1.653 -0.954 -0.895) 2.108 24.175 ( -0.214 -0.123 -0.139) 0.283 24.189 ( 0.162 0.093 0.217) 0.286 32.583 ( -0.091 -0.053 -0.350) 0.365 32.591 ( 0.505 0.291 0.356) 0.683 41.644 ( 1.786 1.031 -9.332) 9.557 42.795 ( 4.196 2.423 -19.729) 20.315 43.098 ( 7.888 4.554 12.104) 15.148 44.043 ( 13.110 7.569 2.628) 15.364 ======================= Grid point 750 (210/231) ======================= q-point: ( 0.38 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.122 ( 0.000 10.533 25.085) 27.206 2.355 ( 0.000 16.614 23.917) 29.121 3.337 ( -0.000 0.215 -18.730) 18.731 3.612 ( -0.000 17.241 -16.886) 24.133 3.885 ( 0.000 11.331 43.852) 45.292 5.424 ( 0.000 -14.352 16.668) 21.996 5.752 ( 0.000 -0.747 2.332) 2.449 5.861 ( 0.000 -0.082 8.562) 8.563 6.055 ( -0.000 9.165 -6.731) 11.371 6.345 ( -0.000 0.450 -12.857) 12.865 6.533 ( -0.000 -10.172 -16.725) 19.575 6.889 ( -0.000 9.039 -13.001) 15.834 9.162 ( 0.000 -6.251 1.153) 6.356 9.207 ( 0.000 -15.538 6.523) 16.851 9.285 ( -0.000 -4.534 -2.535) 5.194 9.395 ( 0.000 1.365 1.663) 2.151 10.641 ( 0.000 -9.424 11.433) 14.817 11.553 ( -0.000 19.563 -16.942) 25.879 21.537 ( 0.000 -2.088 -0.118) 2.091 21.549 ( 0.000 -2.285 -0.580) 2.358 21.579 ( 0.000 -0.331 0.592) 0.679 21.605 ( -0.000 0.215 -0.176) 0.278 24.198 ( 0.000 -0.281 1.006) 1.045 24.247 ( 0.000 -1.744 -0.379) 1.785 32.632 ( 0.000 -0.905 0.240) 0.936 32.644 ( 0.000 -1.329 -0.203) 1.344 41.501 ( 0.000 -6.141 4.604) 7.675 41.921 ( -0.000 -1.438 -5.935) 6.107 42.134 ( -0.000 36.436 0.211) 36.437 42.296 ( -0.000 15.996 -5.450) 16.899 ======================= Grid point 751 (211/231) ======================= q-point: ( 0.46 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.318 ( -2.676 15.957 23.341) 28.400 2.808 ( 15.600 15.685 21.577) 30.902 3.353 ( 11.359 3.227 -18.220) 21.712 3.741 ( 4.260 20.558 -16.281) 26.567 4.318 ( 11.105 13.689 37.142) 41.113 5.281 ( -10.047 -11.650 13.188) 20.263 5.656 ( -6.219 -2.737 3.778) 7.775 5.941 ( 4.488 0.561 -9.170) 10.224 6.129 ( 0.545 -4.675 -5.468) 7.215 6.291 ( 0.612 3.275 -3.606) 4.910 6.398 ( 2.450 0.900 -8.892) 9.267 6.933 ( 2.744 8.113 -11.809) 14.588 8.966 ( -6.605 -11.574 6.702) 14.916 9.132 ( -1.976 -7.669 -1.163) 8.005 9.317 ( 1.163 -4.244 0.902) 4.491 9.347 ( -0.757 -6.592 -0.379) 6.646 10.670 ( 8.674 -10.014 16.197) 20.925 11.523 ( -14.975 17.353 -19.840) 30.315 21.495 ( -2.209 -2.017 -0.034) 2.991 21.510 ( -1.423 -2.187 -0.574) 2.672 21.583 ( 0.599 -0.927 0.506) 1.214 21.604 ( -0.022 -0.642 -0.279) 0.700 24.197 ( -0.241 -0.387 0.767) 0.892 24.221 ( -0.846 -1.460 -0.010) 1.687 32.618 ( -0.615 -1.043 0.135) 1.219 32.623 ( -0.749 -1.121 -0.177) 1.360 41.644 ( 19.287 -7.055 2.051) 20.640 41.825 ( -6.477 3.512 -6.275) 9.677 42.486 ( 3.103 33.172 -2.692) 33.425 42.591 ( 14.576 19.414 -4.268) 24.649 ======================= Grid point 752 (212/231) ======================= q-point: ( 0.54 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.604 ( 3.587 18.394 19.657) 27.159 3.300 ( 15.909 11.188 16.518) 25.517 3.575 ( 18.948 6.420 -11.625) 23.139 3.960 ( 7.975 20.754 -15.794) 27.272 4.838 ( 15.126 10.849 27.610) 33.298 5.046 ( -13.863 -8.502 11.076) 19.676 5.552 ( -6.392 -2.296 5.856) 8.968 5.849 ( -5.325 -5.965 -14.620) 16.664 6.067 ( 5.034 3.694 -13.969) 15.301 6.266 ( 3.722 -6.105 -10.384) 12.607 6.584 ( 5.841 9.939 11.688) 16.417 7.004 ( 4.102 6.767 -9.765) 12.569 8.804 ( -4.686 -12.222 6.674) 14.692 8.944 ( -11.232 -10.980 -4.299) 16.285 9.123 ( -10.219 -0.622 0.382) 10.245 9.388 ( 9.632 -12.041 -1.426) 15.485 10.915 ( 17.063 -6.878 23.136) 29.559 11.198 ( -28.328 13.418 -19.838) 37.095 21.438 ( -2.558 -1.493 0.312) 2.978 21.462 ( -1.497 -1.841 -0.366) 2.401 21.582 ( 0.052 -1.283 -0.160) 1.294 21.584 ( -0.909 -1.364 -0.334) 1.673 24.191 ( -0.356 -0.341 0.394) 0.631 24.198 ( -0.626 -0.801 0.199) 1.036 32.598 ( -0.652 -0.723 0.097) 0.979 32.602 ( -0.640 -0.567 -0.254) 0.892 41.720 ( -5.629 5.840 -6.540) 10.420 41.966 ( 25.294 -8.405 -1.738) 26.710 42.806 ( 0.042 31.318 -4.167) 31.594 43.038 ( 20.490 14.403 -0.158) 25.047 ======================= Grid point 753 (213/231) ======================= q-point: ( 0.62 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.973 ( 8.283 19.178 14.950) 25.688 3.721 ( 16.857 7.888 8.784) 20.580 3.939 ( 19.196 8.532 -1.449) 21.057 4.205 ( 8.815 16.327 -14.615) 23.619 4.762 ( -16.422 -7.484 10.378) 20.818 5.207 ( 5.061 -2.627 11.328) 12.682 5.531 ( 3.872 3.986 5.560) 7.861 5.632 ( -8.130 -0.186 -7.277) 10.913 6.157 ( 8.821 4.412 -16.012) 18.806 6.218 ( 2.856 -4.210 -7.559) 9.111 6.811 ( 4.117 6.152 12.109) 14.193 7.098 ( 5.721 5.176 -6.811) 10.291 8.558 ( -16.584 -11.735 -5.278) 20.990 8.626 ( -6.188 -13.438 5.189) 15.678 9.002 ( -5.764 -0.326 0.480) 5.793 9.401 ( 7.018 -11.499 -2.749) 13.748 10.699 ( -33.182 12.030 -17.939) 39.593 11.289 ( 18.716 -6.147 26.958) 33.388 21.388 ( -2.404 -0.826 0.362) 2.567 21.431 ( -0.246 -1.142 0.322) 1.212 21.538 ( -2.224 -1.618 -0.656) 2.828 21.566 ( -0.354 -1.753 -0.504) 1.858 24.184 ( -0.337 -0.197 0.070) 0.396 24.188 ( -0.147 -0.288 0.220) 0.391 32.587 ( -0.233 -0.186 0.204) 0.361 32.589 ( -0.336 -0.106 -0.319) 0.476 41.667 ( -3.960 7.195 -7.099) 10.856 42.276 ( 23.353 -8.468 -5.554) 25.454 43.041 ( -1.787 24.945 -1.406) 25.048 43.499 ( 19.548 10.308 2.655) 22.258 ======================= Grid point 754 (214/231) ======================= q-point: ( 0.69 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.377 ( 10.105 17.867 11.669) 23.612 4.095 ( 14.433 7.667 5.342) 17.194 4.269 ( -3.186 -0.555 -8.174) 8.790 4.311 ( 9.314 5.319 2.276) 10.965 4.595 ( -1.133 6.070 7.242) 9.517 5.165 ( 1.120 -8.232 -4.141) 9.283 5.454 ( -9.208 2.648 -2.185) 9.827 5.781 ( 8.222 4.251 7.963) 12.210 6.146 ( 0.817 -0.273 -15.482) 15.506 6.299 ( 9.156 -0.311 -5.697) 10.788 6.953 ( 1.359 2.981 9.661) 10.202 7.215 ( 6.592 2.656 -3.305) 7.838 8.165 ( -15.180 -9.118 -4.926) 18.381 8.407 ( -7.578 -12.664 3.602) 15.191 8.914 ( -4.965 0.393 -0.799) 5.044 9.382 ( 4.079 -8.194 -2.441) 9.473 10.203 ( -29.013 10.869 -14.182) 34.073 11.666 ( 17.220 -7.008 26.932) 32.726 21.349 ( -1.808 -0.186 0.211) 1.829 21.437 ( 1.320 -0.426 0.915) 1.662 21.478 ( -2.604 -1.580 -0.618) 3.108 21.534 ( -0.898 -1.881 -0.704) 2.200 24.178 ( -0.286 -0.059 -0.120) 0.316 24.188 ( 0.160 -0.028 0.184) 0.246 32.584 ( -0.185 0.145 -0.306) 0.385 32.590 ( 0.270 0.292 0.345) 0.526 41.647 ( -2.756 7.542 -7.023) 10.668 42.493 ( 16.124 -6.287 -10.181) 20.079 43.222 ( -1.102 17.104 3.986) 17.597 43.884 ( 15.745 6.277 2.757) 17.173 ======================= Grid point 764 (215/231) ======================= q-point: ( 0.46 0.46 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.643 ( 0.000 16.873 19.208) 25.566 2.937 ( 0.000 20.179 20.255) 28.591 3.227 ( -0.000 9.610 -16.495) 19.090 3.821 ( -0.000 21.789 -17.351) 27.853 4.548 ( 0.000 13.015 34.741) 37.099 5.330 ( 0.000 -12.782 16.581) 20.936 5.643 ( -0.000 3.183 -16.442) 16.747 5.929 ( 0.000 -2.256 4.869) 5.367 6.019 ( -0.000 -8.391 -8.293) 11.798 6.176 ( -0.000 -7.968 -12.825) 15.099 6.469 ( -0.000 14.629 5.436) 15.607 6.936 ( -0.000 9.320 -11.980) 15.178 8.926 ( 0.000 -20.968 9.449) 22.999 9.038 ( 0.000 -7.580 -0.141) 7.581 9.172 ( -0.000 -4.132 -3.206) 5.230 9.455 ( 0.000 1.617 3.137) 3.529 10.508 ( 0.000 -18.543 14.955) 23.822 11.737 ( -0.000 20.006 -22.512) 30.117 21.488 ( 0.000 -2.973 -0.489) 3.013 21.498 ( 0.000 -1.853 -0.723) 1.989 21.570 ( 0.000 -1.500 1.006) 1.806 21.597 ( 0.000 -0.854 0.023) 0.854 24.198 ( 0.000 -0.519 0.632) 0.818 24.213 ( 0.000 -1.480 -0.024) 1.480 32.612 ( 0.000 -1.230 0.071) 1.232 32.617 ( 0.000 -1.185 -0.196) 1.201 41.456 ( 0.000 -3.362 4.196) 5.376 41.940 ( -0.000 7.271 -1.126) 7.358 42.533 ( -0.000 16.884 -5.503) 17.758 42.834 ( -0.000 35.847 -6.090) 36.361 ======================= Grid point 765 (216/231) ======================= q-point: ( 0.54 0.46 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.891 ( 0.871 19.111 16.524) 25.279 3.201 ( 4.923 13.221 -5.295) 15.068 3.453 ( 12.360 17.864 9.907) 23.875 3.968 ( 4.239 20.348 -17.385) 27.097 4.872 ( 7.440 5.600 24.184) 25.915 5.231 ( -9.006 -6.501 14.497) 18.263 5.613 ( -1.455 2.693 -8.307) 8.852 5.765 ( -3.080 -6.499 -12.156) 14.124 6.029 ( 7.294 -4.219 -5.842) 10.254 6.071 ( -1.946 -2.183 -3.791) 4.788 6.668 ( 3.175 12.261 9.123) 15.609 6.976 ( 1.742 8.469 -11.125) 14.090 8.753 ( -2.341 -18.704 8.398) 20.636 8.946 ( -3.343 -9.772 -2.841) 10.711 9.148 ( 4.589 -7.229 -1.777) 8.745 9.337 ( -14.005 -0.466 2.051) 14.162 10.591 ( 19.700 -17.264 18.900) 32.301 11.644 ( -18.068 17.499 -22.887) 34.007 21.449 ( -0.800 -2.748 -0.263) 2.874 21.466 ( -1.432 -1.387 -0.749) 2.130 21.562 ( 0.302 -2.003 0.827) 2.187 21.584 ( -0.538 -1.261 -0.025) 1.371 24.194 ( -0.210 -0.454 0.342) 0.606 24.197 ( -0.304 -1.009 0.086) 1.058 32.598 ( -0.295 -0.946 0.046) 0.992 32.603 ( -0.340 -0.745 -0.245) 0.855 41.573 ( 14.098 -3.314 2.984) 14.787 41.923 ( -9.789 10.469 -0.927) 14.362 42.828 ( 16.919 15.234 -2.350) 22.888 43.112 ( -0.932 30.653 -6.499) 31.349 ======================= Grid point 766 (217/231) ======================= q-point: ( 0.62 0.46 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.203 ( 0.842 23.793 16.446) 28.936 3.442 ( 18.228 10.408 -13.128) 24.758 3.885 ( 10.993 14.705 16.773) 24.868 4.150 ( 6.686 16.321 -16.612) 24.229 4.978 ( -7.448 -8.949 12.934) 17.403 5.124 ( -1.541 -5.358 -1.637) 5.810 5.572 ( 0.155 3.975 6.820) 7.896 5.710 ( -0.791 3.288 -6.345) 7.190 6.039 ( 4.440 -2.961 -2.860) 6.055 6.068 ( 2.382 1.978 -8.011) 8.589 6.877 ( 3.459 8.347 10.281) 13.687 7.035 ( 3.279 6.423 -9.550) 11.967 8.576 ( -2.974 -18.224 6.766) 19.665 8.668 ( -13.490 -12.499 -5.192) 19.109 9.133 ( -6.121 -1.133 2.218) 6.609 9.172 ( 3.293 -5.937 -2.853) 7.365 10.937 ( 26.001 -15.945 22.555) 37.934 11.279 ( -30.109 15.717 -21.171) 40.022 21.415 ( -0.854 -1.586 0.430) 1.852 21.424 ( -1.359 -1.190 -0.696) 1.936 21.547 ( 0.023 -2.373 0.304) 2.393 21.552 ( -1.617 -1.558 -0.264) 2.261 24.187 ( -0.133 -0.486 0.148) 0.525 24.188 ( -0.282 -0.249 0.053) 0.380 32.588 ( -0.137 -0.379 0.150) 0.430 32.592 ( -0.261 -0.185 -0.293) 0.434 41.829 ( 12.089 0.060 1.209) 12.150 41.862 ( -2.311 8.054 -3.141) 8.948 43.260 ( 15.003 13.708 2.689) 20.500 43.323 ( 2.268 21.744 -5.613) 22.571 ======================= Grid point 767 (218/231) ======================= q-point: ( 0.69 0.46 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.536 ( 2.907 24.313 12.113) 27.319 3.835 ( 22.605 10.466 -10.154) 26.900 4.247 ( 8.850 8.825 14.365) 19.041 4.275 ( 2.032 7.477 -13.611) 15.661 4.794 ( -10.974 -0.421 10.112) 14.928 5.007 ( 2.332 -11.039 -8.880) 14.358 5.639 ( -7.565 2.971 2.330) 8.455 5.737 ( 5.722 2.408 5.261) 8.138 6.063 ( 0.340 3.126 -11.859) 12.269 6.123 ( 7.960 -1.734 0.195) 8.149 7.021 ( 0.236 4.710 7.608) 8.951 7.112 ( 5.842 2.532 -5.430) 8.368 8.292 ( -14.214 -10.111 -4.983) 18.142 8.382 ( -3.969 -16.191 4.619) 17.299 9.028 ( -7.280 2.868 -0.045) 7.825 9.199 ( 7.178 -6.548 -1.643) 9.854 10.783 ( -33.842 14.476 -18.027) 40.985 11.327 ( 25.264 -17.186 23.024) 38.259 21.381 ( -2.041 -0.015 -0.049) 2.042 21.412 ( 1.101 -1.348 0.518) 1.816 21.501 ( -2.357 -1.582 -0.427) 2.870 21.521 ( -0.401 -2.487 -0.130) 2.523 24.181 ( -0.287 -0.015 -0.118) 0.311 24.185 ( 0.148 -0.163 0.144) 0.262 32.587 ( -0.147 0.239 -0.281) 0.397 32.589 ( 0.238 0.153 0.301) 0.413 41.809 ( -8.179 12.692 -2.765) 15.351 42.114 ( 18.545 -3.909 -2.990) 19.187 43.445 ( -3.679 18.513 -0.176) 18.876 43.678 ( 17.546 5.654 2.092) 18.553 ======================= Grid point 778 (219/231) ======================= q-point: ( 0.54 0.54 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.993 ( -0.000 13.240 -6.319) 14.671 3.502 ( -0.000 22.793 8.419) 24.298 3.523 ( 0.000 20.946 15.839) 26.260 4.027 ( -0.000 18.443 -17.578) 25.478 4.909 ( 0.000 -6.143 11.625) 13.149 5.352 ( 0.000 -4.041 18.057) 18.504 5.604 ( -0.000 10.434 -17.323) 20.222 5.720 ( -0.000 -10.701 -9.918) 14.591 5.812 ( 0.000 -1.961 -0.317) 1.987 6.127 ( 0.000 2.110 4.988) 5.416 6.802 ( 0.000 11.464 7.510) 13.705 6.987 ( -0.000 8.788 -10.867) 13.976 8.624 ( 0.000 -20.585 8.451) 22.252 8.863 ( 0.000 -9.929 -1.988) 10.126 9.060 ( -0.000 -4.857 -2.266) 5.359 9.507 ( 0.000 -0.028 3.424) 3.424 10.275 ( 0.000 -22.448 17.025) 28.174 11.830 ( -0.000 15.744 -25.092) 29.622 21.423 ( 0.000 -3.057 -0.600) 3.115 21.463 ( -0.000 -0.929 -0.988) 1.356 21.544 ( 0.000 -2.415 1.153) 2.676 21.577 ( 0.000 -1.340 0.416) 1.403 24.191 ( 0.000 -0.867 0.075) 0.871 24.193 ( 0.000 -0.396 0.171) 0.432 32.592 ( 0.000 -0.828 0.044) 0.829 32.597 ( -0.000 -0.590 -0.293) 0.659 41.463 ( 0.000 -0.809 4.905) 4.971 42.155 ( 0.000 11.148 7.206) 13.274 42.788 ( -0.000 16.595 -7.453) 18.192 43.365 ( -0.000 27.023 -6.263) 27.739 ======================= Grid point 779 (220/231) ======================= q-point: ( 0.62 0.54 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.184 ( 12.283 14.707 -10.897) 22.044 3.628 ( -8.008 24.226 11.196) 27.864 3.954 ( 9.768 16.852 15.363) 24.808 4.133 ( 3.306 15.852 -15.967) 22.742 4.871 ( 3.778 -13.255 -1.254) 13.840 5.245 ( -12.402 -7.052 3.506) 14.691 5.593 ( 3.897 -3.949 -1.381) 5.717 5.686 ( 2.487 9.231 -10.584) 14.263 5.912 ( 4.579 2.358 9.941) 11.196 6.149 ( -3.675 4.287 3.192) 6.487 6.941 ( 2.559 6.764 1.879) 7.472 7.032 ( 0.352 9.151 -5.017) 10.442 8.462 ( -1.142 -19.684 6.999) 20.922 8.697 ( -6.956 -12.619 -3.922) 14.933 9.012 ( 2.155 -5.886 -0.793) 6.318 9.358 ( -13.367 -0.075 2.782) 13.653 10.420 ( 25.836 -20.341 17.837) 37.409 11.696 ( -16.737 14.080 -25.013) 33.227 21.393 ( 0.183 -2.570 -0.368) 2.602 21.441 ( -1.197 -0.317 -0.899) 1.530 21.525 ( 0.022 -2.735 0.900) 2.879 21.559 ( -0.948 -1.524 0.396) 1.837 24.184 ( -0.032 -0.543 0.104) 0.554 24.189 ( -0.150 -0.187 -0.020) 0.241 32.586 ( 0.017 -0.430 0.139) 0.453 32.591 ( -0.066 -0.170 -0.326) 0.374 41.577 ( 10.486 -0.453 4.569) 11.447 42.178 ( -12.459 12.731 5.841) 18.746 43.067 ( 16.779 12.539 -3.368) 21.216 43.554 ( -2.084 22.504 -4.867) 23.118 ======================= Grid point 792 (221/231) ======================= q-point: (-0.38 -0.38 -0.69) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.177 ( -0.000 17.770 -12.255) 21.586 3.993 ( -0.000 16.104 0.416) 16.110 4.064 ( 0.000 18.801 16.690) 25.141 4.195 ( -0.000 15.428 -6.834) 16.873 4.675 ( -0.000 -13.814 -9.216) 16.606 5.368 ( 0.000 -7.497 11.675) 13.875 5.380 ( -0.000 -8.398 -12.460) 15.026 5.721 ( -0.000 12.063 -9.525) 15.370 6.021 ( 0.000 5.411 19.550) 20.285 6.249 ( 0.000 5.930 4.045) 7.178 6.949 ( -0.000 4.400 -7.911) 9.052 7.124 ( -0.000 9.818 2.219) 10.066 8.319 ( 0.000 -19.505 6.270) 20.488 8.614 ( 0.000 -13.252 -3.032) 13.595 8.944 ( 0.000 -5.459 -0.523) 5.484 9.513 ( 0.000 -2.741 2.293) 3.574 10.048 ( 0.000 -18.876 16.247) 24.906 11.822 ( -0.000 12.199 -27.103) 29.722 21.365 ( 0.000 -2.363 -0.470) 2.409 21.445 ( -0.000 0.318 -1.128) 1.172 21.503 ( 0.000 -2.993 0.953) 3.141 21.555 ( 0.000 -1.623 0.799) 1.809 24.180 ( 0.000 -0.436 0.105) 0.448 24.189 ( -0.000 -0.039 -0.117) 0.123 32.583 ( 0.000 -0.289 0.206) 0.355 32.589 ( -0.000 0.039 -0.364) 0.366 41.527 ( 0.000 1.189 6.804) 6.908 42.475 ( 0.000 9.400 15.009) 17.710 42.991 ( -0.000 13.880 -9.867) 17.030 43.749 ( -0.000 19.724 -4.236) 20.174 ======================= Grid point 920 (222/231) ======================= q-point: ( 0.38 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.238 ( 0.000 -0.000 25.565) 25.565 2.238 ( 0.000 -0.000 25.565) 25.565 3.291 ( -0.000 0.000 -19.141) 19.141 3.291 ( -0.000 0.000 -19.141) 19.141 4.009 ( 0.000 -0.000 45.099) 45.099 5.781 ( 0.000 -0.000 19.013) 19.013 5.781 ( 0.000 -0.000 19.013) 19.013 5.784 ( -0.000 0.000 -28.970) 28.970 5.890 ( 0.000 -0.000 7.701) 7.701 6.301 ( -0.000 0.000 -10.372) 10.372 6.633 ( -0.000 0.000 -16.197) 16.197 6.633 ( -0.000 0.000 -16.197) 16.197 9.284 ( 0.000 -0.000 2.057) 2.057 9.284 ( 0.000 -0.000 2.057) 2.057 9.370 ( 0.000 0.000 -1.437) 1.437 9.370 ( -0.000 0.000 -1.437) 1.437 10.775 ( 0.000 -0.000 10.448) 10.448 11.302 ( -0.000 0.000 -11.037) 11.037 21.572 ( 0.000 0.000 0.207) 0.207 21.572 ( -0.000 -0.000 0.207) 0.207 21.585 ( 0.000 0.000 -0.323) 0.323 21.585 ( -0.000 -0.000 -0.323) 0.323 24.207 ( 0.000 -0.000 1.188) 1.188 24.261 ( -0.000 0.000 -0.983) 0.983 32.643 ( 0.000 -0.000 0.320) 0.320 32.657 ( -0.000 0.000 -0.314) 0.314 41.687 ( 0.000 -0.000 6.642) 6.642 41.687 ( 0.000 -0.000 6.642) 6.642 42.008 ( -0.000 0.000 -6.493) 6.493 42.008 ( -0.000 -0.000 -6.493) 6.493 ======================= Grid point 921 (223/231) ======================= q-point: ( 0.46 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.286 ( 0.133 0.077 25.334) 25.334 2.670 ( 18.162 10.486 22.879) 31.036 3.215 ( 7.228 4.173 -20.497) 22.131 3.355 ( 9.887 5.708 -18.300) 21.569 4.339 ( 9.131 5.272 41.163) 42.492 5.499 ( -11.357 -6.557 -3.851) 13.668 5.802 ( -7.029 -4.058 11.620) 14.174 5.815 ( 3.453 1.994 -7.968) 8.910 6.168 ( 12.152 7.016 15.938) 21.235 6.182 ( -6.387 -3.688 -12.871) 14.834 6.402 ( -4.112 -2.374 -15.245) 15.967 6.728 ( 7.888 4.554 -14.712) 17.303 9.135 ( -8.793 -5.077 3.470) 10.730 9.240 ( -5.398 -3.116 -1.022) 6.316 9.336 ( -2.855 -1.648 0.458) 3.328 9.448 ( 3.937 2.273 -0.980) 4.650 10.831 ( 1.660 0.959 13.710) 13.844 11.261 ( -1.541 -0.890 -14.601) 14.709 21.531 ( -2.523 -1.457 0.167) 2.918 21.543 ( -2.113 -1.220 -0.334) 2.462 21.590 ( 0.430 0.248 0.350) 0.607 21.605 ( 0.452 0.261 -0.423) 0.672 24.208 ( -0.390 -0.225 1.033) 1.127 24.241 ( -1.170 -0.675 -0.647) 1.497 32.634 ( -0.855 -0.494 0.235) 1.015 32.642 ( -1.151 -0.665 -0.185) 1.342 41.755 ( 7.984 4.610 -1.184) 9.295 41.793 ( -3.321 -1.917 -6.652) 7.678 41.957 ( 12.005 6.931 8.313) 16.164 42.304 ( 19.188 11.078 -4.465) 22.602 ======================= Grid point 922 (224/231) ======================= q-point: ( 0.54 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.491 ( 6.851 3.955 21.868) 23.255 3.198 ( 18.402 10.624 20.525) 29.543 3.380 ( 16.654 9.615 -19.271) 27.225 3.539 ( 14.986 8.652 -15.968) 23.546 4.802 ( 14.524 8.385 33.041) 37.054 5.238 ( -12.312 -7.109 1.606) 14.308 5.689 ( -8.274 -4.777 11.355) 14.839 5.837 ( 0.798 0.461 -15.298) 15.326 5.936 ( -4.381 -2.529 -15.290) 16.105 6.286 ( -1.220 -0.704 -10.914) 11.005 6.502 ( 10.592 6.115 15.395) 19.662 6.830 ( 7.951 4.590 -12.373) 15.408 8.978 ( -7.584 -4.379 4.294) 9.754 9.125 ( -4.685 -2.705 -0.142) 5.412 9.131 ( -14.041 -8.107 -4.096) 16.723 9.523 ( 2.863 1.653 -1.107) 3.486 11.016 ( -13.025 -7.520 -17.630) 23.173 11.048 ( 9.623 5.556 21.272) 23.999 21.471 ( -2.859 -1.651 0.458) 3.333 21.492 ( -2.220 -1.281 -0.206) 2.571 21.594 ( -0.362 -0.209 -0.190) 0.459 21.599 ( -0.656 -0.379 -0.439) 0.876 24.201 ( -0.608 -0.351 0.611) 0.931 24.212 ( -1.101 -0.636 -0.167) 1.282 32.612 ( -1.080 -0.623 0.125) 1.253 32.614 ( -1.149 -0.663 -0.101) 1.330 41.637 ( -3.348 -1.933 -7.387) 8.337 42.060 ( 16.198 9.352 -9.845) 21.137 42.290 ( 13.907 8.029 9.474) 18.646 42.773 ( 23.720 13.695 -0.342) 27.392 ======================= Grid point 923 (225/231) ======================= q-point: ( 0.62 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.798 ( 11.977 6.915 16.205) 21.305 3.650 ( 15.170 8.759 10.683) 20.518 3.711 ( 20.876 12.053 -16.046) 28.957 3.844 ( 17.273 9.973 -5.011) 20.566 4.959 ( -14.746 -8.514 4.820) 17.696 5.267 ( 12.350 7.130 24.244) 28.127 5.577 ( -5.635 -3.253 9.108) 11.193 5.604 ( -8.305 -4.795 -15.697) 18.394 5.963 ( 8.272 4.776 -17.571) 20.000 6.224 ( 0.219 0.126 -7.414) 7.418 6.777 ( 7.320 4.226 12.942) 15.458 6.956 ( 8.717 5.033 -8.476) 13.159 8.739 ( -17.897 -10.333 -6.360) 21.622 8.821 ( -8.967 -5.177 3.519) 10.936 9.034 ( -4.068 -2.349 1.071) 4.818 9.550 ( 0.207 0.120 -1.976) 1.991 10.550 ( -19.471 -11.241 -18.331) 29.009 11.426 ( 12.284 7.092 26.518) 30.073 21.414 ( -2.619 -1.512 0.584) 3.080 21.452 ( -1.261 -0.728 0.394) 1.509 21.560 ( -2.015 -1.163 -0.913) 2.499 21.584 ( -0.833 -0.481 -0.454) 1.064 24.190 ( -0.553 -0.319 0.173) 0.662 24.194 ( -0.520 -0.300 0.057) 0.603 32.593 ( -0.655 -0.378 -0.154) 0.772 32.594 ( -0.626 -0.362 0.187) 0.747 41.557 ( -0.627 -0.362 -7.256) 7.292 42.321 ( 12.902 7.449 -14.303) 20.653 42.651 ( 13.996 8.081 9.984) 18.997 43.294 ( 22.204 12.820 3.234) 25.842 ======================= Grid point 934 (226/231) ======================= q-point: ( 0.46 0.46 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.506 ( 0.000 8.306 24.054) 25.448 2.716 ( 0.000 14.530 22.364) 26.670 3.025 ( -0.000 0.734 -21.213) 21.226 3.330 ( -0.000 18.475 -19.208) 26.651 4.541 ( 0.000 7.679 40.178) 40.905 5.472 ( -0.000 2.061 -29.545) 29.616 5.690 ( 0.000 -15.142 17.193) 22.910 6.000 ( 0.000 -0.771 9.048) 9.081 6.106 ( -0.000 -3.708 -3.454) 5.067 6.253 ( 0.000 11.628 9.050) 14.735 6.266 ( -0.000 -9.542 -16.931) 19.435 6.669 ( -0.000 11.212 -15.127) 18.829 9.181 ( 0.000 -7.270 1.055) 7.346 9.246 ( 0.000 -5.347 -2.373) 5.850 9.287 ( 0.000 -10.476 3.869) 11.168 9.416 ( -0.000 3.447 1.126) 3.626 10.830 ( 0.000 -7.385 12.883) 14.849 11.297 ( -0.000 12.821 -15.995) 20.499 21.536 ( 0.000 -2.315 0.047) 2.316 21.541 ( 0.000 -2.551 -0.456) 2.592 21.588 ( 0.000 0.030 0.583) 0.584 21.601 ( -0.000 0.357 -0.290) 0.460 24.214 ( 0.000 -0.542 1.021) 1.156 24.238 ( -0.000 -1.167 -0.754) 1.389 32.635 ( 0.000 -1.033 0.216) 1.055 32.641 ( 0.000 -1.227 -0.199) 1.243 41.582 ( 0.000 -7.309 5.756) 9.304 41.837 ( -0.000 0.859 -4.714) 4.791 42.165 ( -0.000 28.112 2.822) 28.253 42.201 ( -0.000 17.250 -6.261) 18.352 ======================= Grid point 935 (227/231) ======================= q-point: ( 0.54 0.46 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.677 ( -3.199 13.340 22.588) 26.427 2.997 ( 12.185 2.944 -14.061) 18.837 3.184 ( 15.779 16.005 13.396) 26.165 3.467 ( 5.197 21.388 -18.593) 28.812 4.876 ( 7.292 8.093 33.726) 35.442 5.316 ( -5.281 1.719 -18.038) 18.874 5.655 ( 2.285 -11.246 8.181) 14.094 5.844 ( -9.118 -7.443 -9.916) 15.390 6.025 ( -7.589 1.531 2.276) 8.069 6.152 ( 5.035 -7.460 -11.002) 14.214 6.511 ( 7.086 10.465 14.086) 18.925 6.732 ( 3.924 10.015 -13.860) 17.544 9.050 ( -6.096 -8.559 4.223) 11.325 9.102 ( -3.332 -8.197 -2.629) 9.231 9.331 ( 3.246 -7.283 0.866) 8.020 9.342 ( -6.345 -3.135 -0.479) 7.093 10.935 ( 13.560 -7.798 17.794) 23.692 11.221 ( -14.235 12.944 -18.919) 26.984 21.496 ( -1.873 -2.202 0.239) 2.900 21.502 ( -1.219 -2.461 -0.442) 2.781 21.591 ( 0.132 -0.678 0.519) 0.864 21.599 ( -0.293 -0.445 -0.436) 0.689 24.208 ( -0.407 -0.695 0.673) 1.049 24.217 ( -0.611 -1.055 -0.427) 1.292 32.619 ( -0.636 -1.140 0.111) 1.310 32.621 ( -0.730 -1.154 -0.112) 1.370 41.681 ( 14.646 -6.050 2.983) 16.125 41.740 ( -9.198 6.053 -4.624) 11.943 42.483 ( 2.713 29.458 1.865) 29.641 42.529 ( 19.390 16.932 -3.709) 26.008 ======================= Grid point 936 (228/231) ======================= q-point: ( 0.62 0.46 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.895 ( 0.213 16.579 16.198) 23.179 3.243 ( 23.535 3.101 -14.644) 27.892 3.669 ( 11.056 18.822 4.980) 22.390 3.717 ( 13.356 17.213 -4.179) 22.184 5.126 ( -11.318 -1.955 -4.848) 12.467 5.229 ( 10.311 0.681 19.359) 21.944 5.580 ( -5.274 -4.773 -3.891) 8.108 5.648 ( 1.595 -2.808 -5.164) 6.091 5.939 ( -6.965 5.149 0.805) 8.699 6.126 ( 4.494 -4.883 -7.131) 9.742 6.784 ( 6.405 7.417 12.036) 15.521 6.839 ( 6.756 8.197 -10.381) 14.852 8.864 ( -13.027 -11.382 -5.930) 18.287 8.890 ( -5.962 -10.289 4.355) 12.664 9.130 ( -9.718 0.463 0.673) 9.752 9.365 ( 8.471 -12.900 -1.586) 15.514 10.891 ( -26.673 11.614 -19.567) 35.060 11.281 ( 21.292 -6.410 23.607) 32.431 21.444 ( -2.380 -1.673 0.408) 2.937 21.459 ( -0.921 -2.008 0.070) 2.211 21.574 ( -1.475 -1.020 -0.685) 1.920 21.583 ( -0.301 -1.250 0.045) 1.287 24.196 ( -0.545 -0.566 0.216) 0.815 24.198 ( -0.475 -0.620 -0.129) 0.792 32.599 ( -0.681 -0.679 -0.089) 0.966 32.600 ( -0.588 -0.721 0.127) 0.939 41.632 ( -8.200 8.244 -4.689) 12.538 41.933 ( 20.164 -5.885 -1.879) 21.089 42.793 ( 1.513 27.188 1.567) 27.276 43.050 ( 24.243 13.714 1.972) 27.922 ======================= Grid point 948 (229/231) ======================= q-point: ( 0.54 0.54 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.779 ( -0.000 5.030 -10.314) 11.476 3.112 ( 0.000 21.405 10.323) 23.764 3.237 ( 0.000 17.808 17.644) 25.068 3.539 ( -0.000 22.483 -18.262) 28.965 5.035 ( 0.000 2.772 25.847) 25.995 5.283 ( -0.000 10.221 -28.126) 29.925 5.596 ( 0.000 -11.745 17.017) 20.677 5.863 ( -0.000 -9.730 -10.868) 14.587 5.880 ( -0.000 -7.173 -7.214) 10.173 6.143 ( 0.000 -0.053 6.846) 6.846 6.630 ( 0.000 11.967 12.827) 17.543 6.732 ( -0.000 11.111 -14.030) 17.897 9.026 ( 0.000 -8.494 -1.748) 8.671 9.049 ( 0.000 -18.666 6.476) 19.758 9.134 ( 0.000 -4.526 -1.510) 4.771 9.497 ( 0.000 2.674 2.211) 3.470 10.752 ( 0.000 -16.808 16.324) 23.430 11.388 ( -0.000 16.251 -22.273) 27.572 21.480 ( 0.000 -3.163 -0.565) 3.213 21.491 ( 0.000 -2.254 -0.158) 2.260 21.585 ( 0.000 -1.223 0.835) 1.480 21.596 ( 0.000 -0.529 -0.019) 0.529 24.207 ( 0.000 -0.880 0.474) 1.000 24.209 ( 0.000 -1.076 -0.398) 1.147 32.613 ( 0.000 -1.308 0.055) 1.310 32.614 ( 0.000 -1.252 -0.131) 1.259 41.534 ( 0.000 -3.952 5.874) 7.080 41.958 ( -0.000 11.977 3.596) 12.506 42.427 ( -0.000 16.743 -7.976) 18.545 42.779 ( -0.000 31.161 -1.487) 31.196 ======================= Grid point 1105 (230/231) ======================= q-point: ( 0.46 0.46 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.622 ( 0.000 -0.000 23.688) 23.688 2.622 ( 0.000 -0.000 23.688) 23.688 2.974 ( -0.000 0.000 -21.562) 21.562 2.974 ( -0.000 0.000 -21.562) 21.562 4.679 ( 0.000 -0.000 40.887) 40.887 5.277 ( -0.000 0.000 -35.765) 35.765 6.016 ( 0.000 -0.000 8.428) 8.428 6.078 ( 0.000 -0.000 18.978) 18.978 6.078 ( 0.000 -0.000 18.978) 18.978 6.152 ( -0.000 0.000 -9.053) 9.053 6.366 ( -0.000 0.000 -17.981) 17.981 6.366 ( -0.000 0.000 -17.981) 17.981 9.316 ( 0.000 -0.000 1.962) 1.962 9.316 ( 0.000 0.000 1.962) 1.962 9.345 ( 0.000 0.000 -1.742) 1.742 9.345 ( 0.000 0.000 -1.742) 1.742 10.946 ( 0.000 -0.000 11.372) 11.372 11.125 ( -0.000 0.000 -11.585) 11.585 21.575 ( 0.000 0.000 0.265) 0.265 21.575 ( -0.000 -0.000 0.265) 0.265 21.580 ( 0.000 0.000 -0.306) 0.306 21.580 ( 0.000 0.000 -0.306) 0.306 24.225 ( 0.000 -0.000 1.218) 1.218 24.244 ( -0.000 0.000 -1.145) 1.145 32.648 ( 0.000 -0.000 0.315) 0.315 32.653 ( -0.000 0.000 -0.312) 0.312 41.793 ( 0.000 0.000 7.011) 7.011 41.793 ( 0.000 -0.000 7.011) 7.011 41.903 ( -0.000 0.000 -6.957) 6.957 41.903 ( -0.000 -0.000 -6.957) 6.957 ======================= Grid point 1106 (231/231) ======================= q-point: ( 0.54 0.46 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.664 ( -0.952 -0.550 22.204) 22.231 2.882 ( 8.185 4.726 -21.256) 23.263 3.005 ( 14.964 8.640 14.327) 22.446 3.060 ( 13.242 7.645 -13.671) 20.511 4.949 ( 5.668 3.273 36.869) 37.445 5.124 ( 2.802 1.618 -34.107) 34.260 5.913 ( -11.761 -6.790 -1.484) 13.661 5.972 ( -6.312 -3.644 10.240) 12.569 6.008 ( -8.358 -4.825 1.383) 9.749 6.190 ( -0.313 -0.181 -10.998) 11.004 6.421 ( 11.312 6.531 15.824) 20.518 6.486 ( 9.819 5.669 -15.740) 19.398 9.179 ( -7.662 -4.424 1.870) 9.043 9.226 ( -4.746 -2.740 -0.274) 5.487 9.329 ( -5.910 -3.412 -1.524) 6.992 9.432 ( 4.170 2.407 -0.988) 4.915 11.039 ( -4.286 -2.474 -13.868) 14.724 11.055 ( 6.067 3.503 15.045) 16.597 21.534 ( -2.390 -1.380 0.317) 2.778 21.538 ( -2.104 -1.215 -0.198) 2.438 21.595 ( 0.315 0.182 0.218) 0.424 21.598 ( 0.345 0.199 -0.396) 0.562 24.224 ( -0.654 -0.378 0.964) 1.225 24.229 ( -0.768 -0.443 -0.906) 1.268 32.638 ( -0.956 -0.552 0.213) 1.124 32.639 ( -1.022 -0.590 -0.193) 1.196 41.678 ( -6.842 -3.951 -6.571) 10.276 41.779 ( 4.752 2.744 2.590) 6.068 42.083 ( 12.839 7.413 7.834) 16.767 42.232 ( 22.076 12.745 -4.564) 25.896 =================== 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 1115.241 1115.241 956.415 0.000 -0.000 0.000 3/65910 20.0 400.637 400.637 356.964 0.000 -0.000 0.000 3/65910 30.0 150.511 150.511 130.584 0.000 -0.000 0.000 3/65910 40.0 73.740 73.740 63.106 0.000 -0.000 0.000 3/65910 50.0 43.360 43.360 37.465 0.000 -0.000 0.000 3/65910 60.0 28.619 28.619 25.380 0.000 -0.000 0.000 3/65910 70.0 20.513 20.513 18.770 0.000 -0.000 0.000 3/65910 80.0 15.637 15.637 14.752 0.000 -0.000 0.000 3/65910 90.0 12.489 12.489 12.109 0.000 -0.000 0.000 3/65910 100.0 10.338 10.338 10.261 0.000 -0.000 0.000 3/65910 110.0 8.798 8.798 8.907 0.000 -0.000 0.000 3/65910 120.0 7.652 7.652 7.876 0.000 -0.000 0.000 3/65910 130.0 6.772 6.772 7.066 0.000 -0.000 0.000 3/65910 140.0 6.076 6.076 6.413 0.000 -0.000 0.000 3/65910 150.0 5.515 5.515 5.876 0.000 -0.000 0.000 3/65910 160.0 5.052 5.052 5.426 0.000 -0.000 0.000 3/65910 170.0 4.665 4.665 5.044 0.000 -0.000 0.000 3/65910 180.0 4.336 4.336 4.715 0.000 -0.000 0.000 3/65910 190.0 4.054 4.054 4.429 0.000 -0.000 0.000 3/65910 200.0 3.808 3.808 4.179 0.000 -0.000 0.000 3/65910 210.0 3.594 3.594 3.958 0.000 -0.000 0.000 3/65910 220.0 3.404 3.404 3.761 0.000 -0.000 0.000 3/65910 230.0 3.236 3.236 3.585 0.000 -0.000 0.000 3/65910 240.0 3.086 3.086 3.428 0.000 -0.000 0.000 3/65910 250.0 2.951 2.951 3.286 0.000 -0.000 0.000 3/65910 260.0 2.830 2.830 3.158 0.000 -0.000 0.000 3/65910 270.0 2.720 2.720 3.043 0.000 -0.000 0.000 3/65910 280.0 2.620 2.620 2.938 0.000 -0.000 0.000 3/65910 290.0 2.530 2.530 2.842 0.000 -0.000 0.000 3/65910 300.0 2.447 2.447 2.755 0.000 -0.000 0.000 3/65910 310.0 2.371 2.371 2.676 0.000 -0.000 0.000 3/65910 320.0 2.302 2.302 2.603 0.000 -0.000 0.000 3/65910 330.0 2.238 2.238 2.537 0.000 -0.000 0.000 3/65910 340.0 2.179 2.179 2.476 0.000 -0.000 0.000 3/65910 350.0 2.125 2.125 2.420 0.000 -0.000 0.000 3/65910 360.0 2.075 2.075 2.369 0.000 -0.000 0.000 3/65910 370.0 2.028 2.028 2.321 0.000 -0.000 0.000 3/65910 380.0 1.985 1.985 2.277 0.000 -0.000 0.000 3/65910 390.0 1.944 1.944 2.236 0.000 -0.000 0.000 3/65910 400.0 1.907 1.907 2.199 0.000 -0.000 0.000 3/65910 410.0 1.871 1.871 2.163 0.000 -0.000 0.000 3/65910 420.0 1.838 1.838 2.131 0.000 -0.000 0.000 3/65910 430.0 1.807 1.807 2.100 0.000 -0.000 0.000 3/65910 440.0 1.778 1.778 2.071 0.000 -0.000 0.000 3/65910 450.0 1.750 1.750 2.044 0.000 -0.000 0.000 3/65910 460.0 1.724 1.724 2.019 0.000 -0.000 0.000 3/65910 470.0 1.699 1.699 1.994 0.000 -0.000 0.000 3/65910 480.0 1.675 1.675 1.971 0.000 -0.000 0.000 3/65910 490.0 1.652 1.652 1.950 0.000 -0.000 0.000 3/65910 500.0 1.631 1.631 1.929 0.000 -0.000 0.000 3/65910 510.0 1.610 1.610 1.909 0.000 -0.000 0.000 3/65910 520.0 1.590 1.590 1.890 0.000 -0.000 0.000 3/65910 530.0 1.571 1.571 1.872 0.000 -0.000 0.000 3/65910 540.0 1.553 1.553 1.854 0.000 -0.000 0.000 3/65910 550.0 1.535 1.535 1.837 0.000 -0.000 0.000 3/65910 560.0 1.518 1.518 1.821 0.000 -0.000 0.000 3/65910 570.0 1.502 1.502 1.805 0.000 -0.000 0.000 3/65910 580.0 1.486 1.486 1.789 0.000 -0.000 0.000 3/65910 590.0 1.470 1.470 1.774 0.000 -0.000 0.000 3/65910 600.0 1.455 1.455 1.760 0.000 -0.000 0.000 3/65910 610.0 1.440 1.440 1.745 0.000 -0.000 0.000 3/65910 620.0 1.426 1.426 1.731 0.000 -0.000 0.000 3/65910 630.0 1.412 1.412 1.717 0.000 -0.000 0.000 3/65910 640.0 1.399 1.399 1.704 0.000 -0.000 0.000 3/65910 650.0 1.385 1.385 1.691 0.000 -0.000 0.000 3/65910 660.0 1.372 1.372 1.678 0.000 -0.000 0.000 3/65910 670.0 1.360 1.360 1.665 0.000 -0.000 0.000 3/65910 680.0 1.347 1.347 1.653 0.000 -0.000 0.000 3/65910 690.0 1.335 1.335 1.640 0.000 -0.000 0.000 3/65910 700.0 1.323 1.323 1.628 0.000 -0.000 0.000 3/65910 710.0 1.312 1.312 1.616 0.000 -0.000 0.000 3/65910 720.0 1.300 1.300 1.604 0.000 -0.000 0.000 3/65910 730.0 1.289 1.289 1.593 0.000 -0.000 0.000 3/65910 740.0 1.278 1.278 1.581 0.000 -0.000 0.000 3/65910 750.0 1.267 1.267 1.570 0.000 -0.000 0.000 3/65910 760.0 1.256 1.256 1.559 0.000 -0.000 0.000 3/65910 770.0 1.246 1.246 1.548 0.000 -0.000 0.000 3/65910 780.0 1.236 1.236 1.537 0.000 -0.000 0.000 3/65910 790.0 1.225 1.225 1.526 0.000 -0.000 0.000 3/65910 800.0 1.215 1.215 1.515 0.000 -0.000 0.000 3/65910 810.0 1.206 1.206 1.505 0.000 -0.000 0.000 3/65910 820.0 1.196 1.196 1.494 0.000 -0.000 0.000 3/65910 830.0 1.186 1.186 1.484 0.000 -0.000 0.000 3/65910 840.0 1.177 1.177 1.473 0.000 -0.000 0.000 3/65910 850.0 1.168 1.168 1.463 0.000 -0.000 0.000 3/65910 860.0 1.159 1.159 1.453 0.000 -0.000 0.000 3/65910 870.0 1.150 1.150 1.443 0.000 -0.000 0.000 3/65910 880.0 1.141 1.141 1.433 0.000 -0.000 0.000 3/65910 890.0 1.132 1.132 1.424 0.000 -0.000 0.000 3/65910 900.0 1.123 1.123 1.414 0.000 -0.000 0.000 3/65910 910.0 1.115 1.115 1.404 0.000 -0.000 0.000 3/65910 920.0 1.106 1.106 1.395 0.000 -0.000 0.000 3/65910 930.0 1.098 1.098 1.386 0.000 -0.000 0.000 3/65910 940.0 1.090 1.090 1.376 0.000 -0.000 0.000 3/65910 950.0 1.082 1.082 1.367 0.000 -0.000 0.000 3/65910 960.0 1.074 1.074 1.358 0.000 -0.000 0.000 3/65910 970.0 1.066 1.066 1.349 0.000 -0.000 0.000 3/65910 980.0 1.058 1.058 1.340 0.000 -0.000 0.000 3/65910 990.0 1.050 1.050 1.331 0.000 -0.000 0.000 3/65910 1000.0 1.043 1.043 1.323 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 22:46:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|